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+V	1.0	1.0	1.0
+R	1.158	1.101	1.074
+A	1.002	1.0	1.0
+E	1.0	1.0	1.0
+Q	1.003	1.0	1.0
+Q	1.041	1.0	1.0
+S	1.276	1.0	1.006
+L	2.314	1.0	1.01
+A	2.1	1.0	1.001
+K	3.43	1.993	1.746
+Y	5.733	1.196	1.563
+G	1.265	1.559	3.295
+L	1.689	1.856	1.749
+K	1.088	1.033	1.485
+Y	1.001	1.001	1.0
+V	1.0	1.0	1.0
+V	1.008	1.004	1.005
+N	1.0	1.0	1.0
+T	1.0	1.0	1.0
+Y	1.0	1.0	1.0
+L	1.0	1.0	1.0
+P	1.0	1.0	1.0
+E	1.0	1.0	1.0
+K	1.0	1.0	1.0
+I	1.0	1.003	1.005
+K	1.795	1.77	1.826
+D	1.979	1.932	1.977
+E	1.678	1.557	1.422
+S	1.013	1.133	1.0
+T	2.629	2.995	3.057
+W	1.058	1.026	1.026
+L	1.0	1.0	1.0
+P	1.0	1.0	1.0

atlas_1000_analysis/1d3y_B/1d3y_B_RMSD.tsv

@@ -0,0 +1,1002 @@
+time	RMSD_R1	RMSD_R2	RMSD_R3
+0.0	0.0	0.0	0.0
+0.1	1.27	1.24	1.23
+0.2	1.11	1.09	1.26
+0.3	0.97	1.22	1.4
+0.4	1.36	1.35	1.25
+0.5	1.35	1.64	1.22
+0.6	1.13	1.19	1.25
+0.7	1.04	1.53	1.22
+0.8	1.17	1.32	1.23
+0.9	1.43	1.67	1.4
+1.0	1.48	1.8	1.48
+1.1	1.22	1.55	1.54
+1.2	1.5	1.54	1.56
+1.3	1.46	1.43	1.63
+1.4	1.69	1.63	1.18
+1.5	1.48	1.36	1.68
+1.6	2.03	1.37	1.45
+1.7	1.41	1.43	1.59
+1.8	1.38	1.44	1.69
+1.9	1.38	1.42	1.7
+2.0	1.1	1.59	1.39
+2.1	1.26	1.5	1.31
+2.2	1.13	1.76	1.31
+2.3	1.59	1.41	1.53
+2.4	1.25	1.54	1.52
+2.5	1.21	1.86	1.66
+2.6	1.21	1.64	1.65
+2.7	1.3	1.67	2.12
+2.8	1.13	1.75	2.07
+2.9	1.67	1.83	2.23
+3.0	1.91	1.68	2.0
+3.1	1.67	1.37	1.85
+3.2	2.09	1.45	1.94
+3.3	2.04	1.58	2.47
+3.4	1.92	1.88	2.08
+3.5	1.84	1.56	2.23
+3.6	2.21	1.42	1.67
+3.7	1.9	1.77	1.69
+3.8	2.03	1.98	1.45
+3.9	1.61	1.6	1.41
+4.0	1.91	1.73	1.56
+4.1	1.67	1.69	1.51
+4.2	1.4	1.86	1.58
+4.3	1.43	1.67	1.44
+4.4	1.55	1.56	1.55
+4.5	1.87	1.61	1.34
+4.6	1.7	1.76	1.41
+4.7	1.88	1.47	1.84
+4.8	1.73	1.65	1.74
+4.9	1.87	1.75	1.75
+5.0	1.72	1.68	1.79
+5.1	1.77	1.55	1.69
+5.2	1.58	1.73	1.7
+5.3	1.79	1.43	1.76
+5.4	1.87	1.45	1.73
+5.5	1.94	1.38	1.7
+5.6	1.87	1.41	1.66
+5.7	2.04	1.8	1.84
+5.8	1.78	1.72	1.56
+5.9	2.23	1.6	1.88
+6.0	2.37	1.59	1.92
+6.1	2.5	1.76	1.84
+6.2	2.54	1.92	1.61
+6.3	2.26	1.89	1.41
+6.4	2.02	1.78	1.71
+6.5	1.84	1.86	1.56
+6.6	2.04	1.6	2.07
+6.7	2.02	1.49	2.13
+6.8	1.61	1.37	1.76
+6.9	2.09	1.5	1.85
+7.0	1.62	1.5	2.1
+7.1	1.68	1.5	1.79
+7.2	1.57	1.92	1.83
+7.3	1.84	1.52	1.94
+7.4	1.47	1.77	1.79
+7.5	1.78	1.76	2.05
+7.6	1.49	1.88	2.07
+7.7	1.66	1.9	2.06
+7.8	1.7	1.62	2.28
+7.9	2.13	1.64	2.13
+8.0	1.78	1.85	2.25
+8.1	2.08	1.65	2.0
+8.2	2.16	1.8	2.36
+8.3	2.34	1.9	2.31
+8.4	1.92	2.07	2.11
+8.5	1.99	1.73	1.87
+8.6	1.85	1.72	1.89
+8.7	1.94	1.76	2.02
+8.8	2.19	2.03	1.76
+8.9	2.27	2.04	1.94
+9.0	2.52	2.01	2.08
+9.1	2.16	1.74	2.14
+9.2	2.17	1.62	2.28
+9.3	1.93	1.96	1.99
+9.4	3.16	1.86	2.31
+9.5	2.0	1.84	1.6
+9.6	2.06	1.88	1.98
+9.7	1.85	1.68	1.92
+9.8	1.86	1.79	1.9
+9.9	2.2	1.65	1.68
+10.0	1.92	1.58	1.54
+10.1	2.19	1.62	1.9
+10.2	1.75	1.52	1.47
+10.3	2.0	1.4	1.68
+10.4	1.82	1.74	1.41
+10.5	1.94	1.54	1.48
+10.6	1.83	1.62	1.56
+10.7	1.88	1.59	1.9
+10.8	1.64	1.88	2.08
+10.9	1.78	1.75	1.89
+11.0	1.98	1.83	1.96
+11.1	2.06	2.08	1.66
+11.2	1.77	1.67	1.93
+11.3	1.84	1.74	2.11
+11.4	1.7	2.08	1.75
+11.5	1.98	1.69	1.51
+11.6	1.83	1.57	2.09
+11.7	2.04	1.74	1.87
+11.8	1.88	1.83	2.14
+11.9	1.71	1.86	1.86
+12.0	1.8	1.96	1.96
+12.1	2.01	2.01	2.11
+12.2	1.88	1.63	2.16
+12.3	2.04	1.72	1.9
+12.4	2.27	1.64	1.9
+12.5	2.04	1.88	2.09
+12.6	1.78	1.65	2.18
+12.7	1.99	1.7	2.23
+12.8	1.9	1.63	2.49
+12.9	1.77	1.75	2.77
+13.0	1.93	1.52	1.95
+13.1	1.78	1.71	2.22
+13.2	1.93	1.6	2.96
+13.3	1.87	1.76	2.82
+13.4	1.99	1.77	3.07
+13.5	2.13	1.48	2.46
+13.6	1.63	1.76	2.14
+13.7	1.82	1.64	2.73
+13.8	1.76	1.88	2.97
+13.9	1.58	1.64	3.2
+14.0	1.75	1.75	3.19
+14.1	1.8	1.76	2.95
+14.2	1.84	1.78	3.03
+14.3	2.16	1.73	2.67
+14.4	1.63	1.62	2.44
+14.5	1.49	1.92	2.61
+14.6	1.86	1.6	2.63
+14.7	1.65	1.57	2.69
+14.8	1.92	1.67	2.69
+14.9	2.01	1.78	2.77
+15.0	1.86	1.65	2.18
+15.1	1.83	1.87	1.89
+15.2	1.93	1.56	2.14
+15.3	1.92	1.75	1.65
+15.4	2.09	1.82	1.66
+15.5	2.11	1.6	2.03
+15.6	1.61	1.7	1.75
+15.7	1.72	1.79	1.73
+15.8	1.71	1.7	1.86
+15.9	1.88	1.66	1.64
+16.0	2.09	1.65	1.9
+16.1	1.82	1.76	2.31
+16.2	1.96	2.06	2.32
+16.3	1.82	2.09	2.36
+16.4	1.78	2.2	2.05
+16.5	1.52	1.82	2.04
+16.6	1.75	1.98	2.0
+16.7	1.94	2.21	1.78
+16.8	2.14	1.88	1.89
+16.9	1.74	2.13	1.82
+17.0	1.68	2.33	2.12
+17.1	1.73	2.26	1.9
+17.2	1.9	2.24	1.78
+17.3	1.64	2.28	2.46
+17.4	1.74	2.06	2.26
+17.5	1.46	2.23	1.98
+17.6	1.56	2.17	1.71
+17.7	1.86	2.34	2.22
+17.8	1.54	1.89	2.28
+17.9	1.62	1.93	2.38
+18.0	1.46	2.13	2.18
+18.1	1.69	2.05	2.03
+18.2	1.66	1.89	1.81
+18.3	1.67	2.08	2.5
+18.4	1.65	2.32	1.99
+18.5	1.79	1.9	1.98
+18.6	1.71	2.04	2.33
+18.7	1.7	2.05	2.18
+18.8	1.56	2.05	2.06
+18.9	1.69	2.05	2.94
+19.0	1.84	2.01	2.11
+19.1	1.71	1.89	2.14
+19.2	1.61	1.84	2.07
+19.3	1.55	1.83	2.27
+19.4	1.9	2.06	2.13
+19.5	1.94	1.98	2.03
+19.6	1.81	2.11	2.03
+19.7	1.7	1.91	1.9
+19.8	1.77	1.56	2.04
+19.9	1.86	2.11	2.02
+20.0	1.71	1.9	2.56
+20.1	1.83	2.12	2.17
+20.2	1.79	1.8	2.34
+20.3	2.2	1.95	2.16
+20.4	1.84	2.18	2.29
+20.5	1.75	1.98	2.16
+20.6	1.66	1.77	2.31
+20.7	1.96	2.23	2.19
+20.8	2.05	2.13	2.19
+20.9	1.53	2.08	2.62
+21.0	1.49	2.32	2.7
+21.1	1.7	2.26	2.75
+21.2	2.18	2.33	2.67
+21.3	1.82	2.07	2.24
+21.4	1.95	2.08	2.27
+21.5	1.89	2.02	2.31
+21.6	2.07	1.87	2.21
+21.7	1.96	2.01	2.63
+21.8	2.26	2.16	2.47
+21.9	2.54	2.34	1.94
+22.0	2.1	2.38	2.53
+22.1	2.44	2.2	1.92
+22.2	2.47	2.08	2.14
+22.3	2.23	2.17	2.16
+22.4	2.2	2.28	1.86
+22.5	2.05	1.78	1.82
+22.6	2.53	2.53	1.84
+22.7	2.24	2.2	2.44
+22.8	2.26	2.38	1.66
+22.9	2.19	2.4	1.98
+23.0	2.38	2.45	1.99
+23.1	2.31	2.53	1.78
+23.2	2.54	2.38	1.58
+23.3	2.27	2.33	2.3
+23.4	2.55	2.11	2.36
+23.5	2.12	2.07	2.55
+23.6	2.2	2.05	2.18
+23.7	2.31	1.95	2.13
+23.8	1.88	1.79	2.33
+23.9	2.06	2.09	2.15
+24.0	2.17	1.71	1.97
+24.1	2.35	1.96	2.49
+24.2	2.2	2.16	2.3
+24.3	2.43	2.07	2.09
+24.4	2.48	2.2	2.63
+24.5	2.62	2.0	2.64
+24.6	2.68	2.35	2.78
+24.7	2.27	2.21	2.88
+24.8	2.04	2.03	2.53
+24.9	1.98	2.46	3.31
+25.0	2.15	2.24	3.15
+25.1	2.14	2.1	3.25
+25.2	2.05	2.22	2.85
+25.3	2.1	2.17	2.43
+25.4	2.05	2.16	2.62
+25.5	1.99	2.16	2.97
+25.6	2.13	2.46	3.26
+25.7	2.21	2.15	2.83
+25.8	1.98	2.1	3.19
+25.9	2.07	2.3	2.88
+26.0	1.9	2.48	2.88
+26.1	2.48	2.21	2.72
+26.2	2.1	2.12	2.46
+26.3	2.32	2.08	2.54
+26.4	2.23	1.92	2.69
+26.5	2.08	2.15	2.45
+26.6	2.09	2.07	2.71
+26.7	2.37	2.13	2.94
+26.8	2.51	2.54	2.95
+26.9	2.5	2.31	2.98
+27.0	2.26	2.34	2.74
+27.1	2.42	2.26	2.3
+27.2	2.58	2.16	2.78
+27.3	2.23	2.34	2.62
+27.4	2.29	2.82	2.47
+27.5	2.34	2.75	2.35
+27.6	2.46	2.35	2.63
+27.7	2.6	2.51	2.5
+27.8	2.87	2.44	2.94
+27.9	3.08	2.04	2.38
+28.0	2.66	2.12	2.94
+28.1	2.38	2.82	3.12
+28.2	2.28	2.49	2.73
+28.3	2.04	2.5	2.43
+28.4	2.31	2.45	2.75
+28.5	1.98	2.43	2.83
+28.6	2.3	2.52	3.11
+28.7	2.06	2.5	2.9
+28.8	1.93	3.12	2.89
+28.9	2.5	2.22	3.25
+29.0	2.43	2.29	3.38
+29.1	2.33	2.12	3.21
+29.2	2.22	2.11	3.33
+29.3	1.99	2.03	3.46
+29.4	2.29	2.28	3.0
+29.5	2.25	2.7	3.16
+29.6	2.11	2.33	3.27
+29.7	2.41	2.14	3.81
+29.8	2.22	2.43	3.77
+29.9	2.24	2.46	4.28
+30.0	2.1	2.53	3.41
+30.1	2.5	2.62	3.46
+30.2	2.04	2.62	2.93
+30.3	2.21	2.16	3.16
+30.4	2.16	2.32	3.53
+30.5	2.37	2.69	2.68
+30.6	2.21	2.85	3.29
+30.7	2.25	2.47	3.19
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+30.9	2.25	2.48	3.08
+31.0	2.54	2.66	2.84
+31.1	2.31	2.56	3.05
+31.2	2.51	2.57	3.01
+31.3	2.51	2.57	2.92
+31.4	2.25	2.25	3.1
+31.5	2.21	2.52	3.11
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+31.7	2.1	2.6	3.21
+31.8	2.12	2.63	3.13
+31.9	2.17	2.69	3.24
+32.0	2.16	2.84	2.84
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+32.2	1.9	2.34	2.81
+32.3	2.1	2.94	2.94
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+32.6	2.21	2.27	3.39
+32.7	2.33	2.29	3.34
+32.8	2.33	2.84	3.2
+32.9	2.68	2.44	3.04
+33.0	2.92	2.37	2.65
+33.1	2.44	2.26	2.78
+33.2	2.54	2.36	2.83
+33.3	2.6	2.12	2.79
+33.4	2.69	2.49	3.1
+33.5	3.1	2.16	3.12
+33.6	2.35	2.37	3.3
+33.7	2.94	2.34	3.38
+33.8	2.54	2.52	3.87
+33.9	2.58	2.39	4.26
+34.0	2.83	2.84	4.19
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+34.2	2.8	2.52	4.1
+34.3	2.7	2.88	4.17
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+34.6	2.75	2.66	4.01
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+34.8	2.83	2.9	4.08
+34.9	2.74	2.66	4.52
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+35.2	3.07	2.71	4.49
+35.3	2.69	2.58	3.47
+35.4	2.91	2.66	3.89
+35.5	2.69	2.58	3.42
+35.6	3.14	2.75	2.57
+35.7	3.28	3.24	2.68
+35.8	2.95	2.71	2.64
+35.9	3.07	2.63	2.58
+36.0	3.07	2.75	2.75
+36.1	2.7	2.76	2.75
+36.2	2.89	3.28	2.76
+36.3	2.73	2.55	3.19
+36.4	2.62	3.16	3.39
+36.5	2.72	3.32	3.08
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+36.7	2.87	2.76	3.43
+36.8	2.64	2.94	3.83
+36.9	2.6	2.61	3.37
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+37.2	2.71	2.99	3.14
+37.3	2.86	2.55	2.87
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+37.5	2.66	2.55	3.03
+37.6	2.94	2.47	2.74
+37.7	2.73	2.48	3.05
+37.8	2.84	2.48	2.95
+37.9	2.28	2.53	2.92
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+38.2	2.58	2.83	2.88
+38.3	2.71	3.04	3.13
+38.4	2.54	2.85	3.19
+38.5	2.72	2.93	3.36
+38.6	2.78	2.45	3.26
+38.7	2.36	2.77	3.36
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+38.9	2.48	2.65	2.65
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+39.4	2.67	2.53	3.31
+39.5	2.55	2.3	2.79
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+39.8	2.08	2.56	2.74
+39.9	2.57	2.68	3.08
+40.0	2.22	2.41	2.59
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+40.2	2.67	2.3	2.78
+40.3	2.78	2.18	2.67
+40.4	2.45	2.51	2.7
+40.5	2.26	2.65	3.25
+40.6	2.38	2.68	3.09
+40.7	2.48	2.33	3.52
+40.8	2.49	2.29	2.65
+40.9	2.32	2.39	3.33
+41.0	2.25	2.38	2.42
+41.1	2.2	2.59	2.74
+41.2	2.57	2.21	2.84
+41.3	2.5	2.22	2.84
+41.4	2.47	1.96	2.36
+41.5	2.34	2.04	2.44
+41.6	2.57	1.93	2.43
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+87.2	2.64	3.58	2.53
+87.3	2.33	3.43	2.24
+87.4	2.47	3.34	2.76
+87.5	2.36	3.54	2.69
+87.6	2.69	3.34	2.2
+87.7	2.93	3.13	2.67
+87.8	2.38	3.22	2.76
+87.9	2.59	2.92	2.68
+88.0	2.37	2.98	2.3
+88.1	2.53	2.76	2.9
+88.2	2.34	2.49	2.42
+88.3	2.73	2.75	2.42
+88.4	2.8	2.55	2.55
+88.5	2.31	2.68	2.96
+88.6	2.98	2.74	2.86
+88.7	2.54	3.33	2.49
+88.8	2.41	3.19	2.47
+88.9	2.55	3.19	2.67
+89.0	2.37	2.33	2.37
+89.1	2.59	2.63	2.22
+89.2	2.38	2.81	2.56
+89.3	2.69	2.65	2.57
+89.4	3.01	2.91	2.18
+89.5	2.97	2.98	2.21
+89.6	2.75	2.9	2.59
+89.7	2.58	2.72	2.53
+89.8	2.65	2.81	2.28
+89.9	3.17	2.72	2.18
+90.0	3.13	2.86	2.44
+90.1	2.9	2.95	2.97
+90.2	2.71	2.59	2.41
+90.3	2.78	2.57	2.43
+90.4	2.6	2.41	2.25
+90.5	2.76	2.6	2.65
+90.6	2.76	2.87	2.34
+90.7	2.74	2.55	2.63
+90.8	3.14	2.49	2.15
+90.9	3.03	2.7	2.48
+91.0	3.04	2.89	2.62
+91.1	2.93	3.05	2.39
+91.2	2.66	3.07	2.47
+91.3	2.67	2.58	2.46
+91.4	2.41	2.43	2.34
+91.5	2.59	3.19	2.48
+91.6	2.5	3.02	2.27
+91.7	2.55	2.93	2.94
+91.8	3.14	3.2	2.71
+91.9	3.08	3.46	2.62
+92.0	3.26	3.91	2.39
+92.1	3.31	3.15	2.93
+92.2	2.89	3.15	2.73
+92.3	3.05	3.17	2.44
+92.4	2.9	2.97	2.5
+92.5	3.22	2.97	2.67
+92.6	3.27	2.57	2.94
+92.7	3.39	2.83	2.81
+92.8	3.08	2.87	3.08
+92.9	2.8	2.98	2.82
+93.0	2.79	2.54	2.27
+93.1	3.03	2.82	2.52
+93.2	2.9	3.11	2.93
+93.3	3.05	2.77	2.75
+93.4	3.21	2.76	2.68
+93.5	3.02	3.13	2.53
+93.6	2.49	3.33	2.55
+93.7	2.7	3.16	3.48
+93.8	2.72	2.89	2.77
+93.9	3.08	2.73	2.23
+94.0	2.78	3.13	2.51
+94.1	2.67	3.46	2.43
+94.2	2.91	3.2	2.65
+94.3	2.65	3.15	2.52
+94.4	2.87	2.74	2.83
+94.5	2.64	2.41	2.69
+94.6	3.25	2.9	2.62
+94.7	2.56	3.52	2.49
+94.8	2.94	3.49	2.37
+94.9	3.68	3.24	3.07
+95.0	2.97	2.96	2.69
+95.1	3.31	3.35	2.67
+95.2	2.64	3.16	2.87
+95.3	3.05	3.17	2.61
+95.4	3.3	2.84	2.75
+95.5	3.13	2.94	2.43
+95.6	3.23	2.57	2.72
+95.7	2.92	3.45	2.71
+95.8	2.8	3.17	2.75
+95.9	2.72	3.03	3.06
+96.0	2.81	3.37	2.72
+96.1	3.17	2.83	2.78
+96.2	2.95	3.37	2.91
+96.3	2.91	3.16	2.51
+96.4	2.88	2.93	2.15
+96.5	3.16	2.67	2.28
+96.6	2.74	3.0	2.48
+96.7	3.0	2.68	2.66
+96.8	3.2	2.7	2.86
+96.9	3.32	2.78	2.3
+97.0	2.92	2.81	2.51
+97.1	2.91	2.89	2.45
+97.2	2.52	2.71	2.1
+97.3	2.58	3.03	2.69
+97.4	2.48	2.78	2.81
+97.5	2.59	2.96	2.87
+97.6	2.35	2.75	3.17
+97.7	2.45	2.84	3.15
+97.8	2.61	2.6	2.78
+97.9	2.46	2.47	2.38
+98.0	2.27	2.76	2.81
+98.1	2.63	2.75	2.59
+98.2	2.72	2.77	2.91
+98.3	2.44	2.89	2.81
+98.4	2.61	2.42	2.53
+98.5	3.08	2.93	2.7
+98.6	3.21	3.07	2.34
+98.7	3.0	2.5	2.82
+98.8	2.91	2.87	2.28
+98.9	2.82	2.2	2.44
+99.0	2.73	2.63	2.61
+99.1	2.76	1.99	2.33
+99.2	2.53	2.3	2.46
+99.3	2.53	2.75	2.45
+99.4	2.55	2.48	2.45
+99.5	2.41	2.71	2.4
+99.6	2.58	2.47	2.12
+99.7	2.9	2.85	2.37
+99.8	2.64	2.44	2.23
+99.9	2.71	2.71	2.59
+100.0	2.87	2.57	2.1

atlas_1000_analysis/1d3y_B/1d3y_B_RMSF.tsv

@@ -0,0 +1,302 @@
+seq	RMSF_R1	RMSF_R2	RMSF_R3
+T	5.3	7.09	7.07
+V	4.35	5.83	5.56
+N	3.6	4.0	3.61
+Q	3.25	3.57	3.35
+A	3.01	3.46	3.13
+K	2.25	2.81	2.67
+I	1.96	2.41	2.42
+F	1.9	2.33	2.34
+A	1.73	2.27	2.18
+Q	1.45	1.93	1.87
+T	1.35	1.63	1.73
+T	1.44	1.77	1.79
+K	1.28	1.72	1.62
+M	1.05	1.3	1.34
+L	1.29	1.33	1.48
+E	1.49	1.64	1.63
+F	1.34	1.45	1.43
+A	1.27	1.24	1.33
+K	1.74	1.66	1.76
+Q	1.92	1.85	1.92
+L	1.64	1.62	1.67
+L	1.88	1.85	1.87
+E	2.47	2.35	2.38
+T	2.55	2.44	2.45
+D	2.24	2.21	2.26
+D	1.95	1.83	1.92
+F	1.5	1.46	1.5
+S	1.37	1.26	1.27
+T	1.45	1.27	1.24
+L	1.31	1.3	1.31
+R	1.67	1.65	1.6
+E	1.62	1.63	1.53
+A	1.23	1.42	1.35
+Y	1.42	1.75	1.62
+Y	1.76	2.06	1.87
+V	1.65	1.95	1.76
+S	1.49	2.0	1.76
+K	1.94	2.66	2.16
+N	2.13	2.85	2.29
+W	1.91	2.58	2.2
+G	2.37	2.97	2.64
+E	2.48	3.05	2.79
+A	1.93	2.53	2.32
+R	1.77	2.36	2.16
+F	1.74	2.24	2.14
+D	2.26	2.76	2.68
+D	2.04	2.52	2.38
+Q	1.82	2.11	2.04
+Q	1.9	2.14	2.12
+A	1.72	2.08	2.02
+S	1.31	1.61	1.59
+N	1.32	1.45	1.51
+N	1.5	1.66	1.7
+V	1.21	1.37	1.43
+I	0.9	0.93	1.14
+E	1.2	1.17	1.31
+D	1.38	1.27	1.47
+L	1.08	0.95	1.24
+E	1.0	0.88	1.14
+A	1.36	1.26	1.51
+A	1.45	1.29	1.66
+L	1.34	1.3	1.56
+G	1.4	1.43	1.53
+V	1.19	1.28	1.3
+L	0.99	1.06	1.09
+R	0.82	0.8	0.97
+E	0.84	0.89	1.07
+H	1.02	1.11	1.26
+L	0.98	0.96	1.15
+G	1.0	1.1	1.14
+F	0.85	0.91	0.99
+I	1.16	1.16	1.14
+P	1.25	1.19	1.24
+E	1.58	1.24	1.5
+E	2.01	1.37	1.45
+D	1.62	1.49	1.4
+G	1.07	1.96	1.1
+S	0.71	1.08	0.97
+S	0.63	0.78	0.77
+V	0.58	0.65	0.64
+V	0.6	0.57	0.58
+G	0.64	0.62	0.6
+P	0.75	0.79	0.74
+L	0.74	0.82	0.76
+K	0.79	0.92	0.88
+I	0.84	1.06	0.98
+I	0.95	1.23	1.16
+E	1.23	1.61	1.43
+E	1.63	2.06	1.9
+T	2.18	2.5	2.44
+P	2.85	3.12	3.16
+E	2.68	2.8	2.88
+G	2.19	2.36	2.44
+E	1.6	1.89	1.9
+L	1.36	1.48	1.54
+V	1.08	1.14	1.23
+V	0.98	1.01	1.05
+D	0.89	0.89	0.9
+C	0.81	0.77	0.76
+T	0.9	0.88	0.82
+K	1.04	1.03	0.97
+L	1.01	1.04	0.96
+G	1.22	1.32	1.13
+T	1.18	1.34	1.14
+G	1.02	1.11	1.04
+A	0.81	0.88	0.84
+Y	0.81	0.95	0.91
+N	0.78	0.99	0.94
+I	0.77	1.31	0.98
+P	0.93	1.56	1.21
+N	0.99	1.76	1.49
+D	0.9	1.74	1.46
+V	0.83	1.59	1.2
+T	0.96	1.84	1.49
+K	1.11	1.79	1.51
+L	0.98	1.6	1.32
+N	0.88	1.46	1.17
+L	0.84	1.19	1.03
+E	0.8	1.11	0.98
+T	0.76	0.98	0.84
+D	0.96	1.14	1.02
+A	0.67	0.85	0.77
+D	0.66	0.86	0.82
+F	0.53	0.66	0.69
+I	0.44	0.52	0.58
+L	0.45	0.42	0.52
+A	0.45	0.49	0.53
+I	0.51	0.54	0.52
+E	0.61	0.76	0.66
+T	0.79	0.86	0.78
+S	0.78	0.91	0.87
+G	0.78	0.92	0.89
+M	0.66	0.7	0.74
+F	0.58	0.62	0.65
+A	0.69	0.78	0.77
+R	0.72	0.75	0.83
+L	0.63	0.64	0.68
+N	0.67	0.7	0.68
+A	0.84	0.87	0.87
+E	0.9	0.9	0.88
+R	0.81	0.84	0.81
+F	0.68	0.71	0.73
+W	0.63	0.64	0.62
+D	0.78	0.81	0.78
+K	0.83	0.93	0.91
+H	0.73	0.84	0.83
+N	0.7	0.8	0.77
+C	0.56	0.6	0.6
+I	0.52	0.53	0.53
+L	0.51	0.46	0.51
+V	0.54	0.54	0.57
+S	0.59	0.6	0.64
+L	0.7	0.74	0.74
+K	0.89	1.06	0.98
+G	1.14	1.32	1.06
+V	0.88	1.22	1.08
+P	0.74	0.99	0.96
+A	0.79	1.23	1.14
+R	0.88	1.34	1.26
+A	0.8	1.3	1.22
+T	0.66	1.03	0.98
+R	0.65	1.04	1.0
+R	0.68	1.21	1.15
+F	0.6	1.04	0.98
+I	0.54	0.9	0.87
+K	0.62	1.09	1.05
+R	0.64	1.19	1.06
+L	0.58	1.09	0.91
+H	0.6	1.03	0.95
+E	0.78	1.22	1.18
+E	0.76	1.35	1.19
+H	0.75	1.21	1.09
+D	0.77	1.12	1.11
+L	0.6	0.88	0.88
+P	0.55	0.76	0.81
+V	0.46	0.58	0.69
+L	0.43	0.41	0.55
+V	0.42	0.41	0.51
+F	0.46	0.51	0.48
+T	0.56	0.72	0.62
+D	0.62	0.9	0.78
+G	0.69	0.93	0.82
+D	0.77	1.04	0.93
+P	0.77	1.08	1.12
+Y	0.84	1.16	1.21
+G	0.72	0.89	0.93
+Y	0.66	0.79	0.79
+L	0.77	0.97	0.96
+N	0.83	1.09	1.04
+I	0.72	0.91	0.88
+Y	0.65	0.72	0.75
+R	0.72	0.86	0.92
+T	0.79	1.04	1.03
+L	0.76	0.9	0.9
+K	0.74	0.84	1.03
+V	0.81	1.02	1.17
+G	1.08	1.23	1.31
+S	1.88	1.49	1.59
+G	2.71	2.7	2.31
+K	2.78	3.59	2.71
+A	2.53	3.37	2.62
+I	2.71	3.09	2.48
+H	2.35	3.18	2.55
+L	1.45	2.62	2.14
+A	1.66	1.99	1.62
+D	1.74	1.83	1.49
+K	1.29	1.55	1.55
+L	0.93	1.17	1.24
+S	0.96	1.09	1.18
+I	0.65	0.89	0.98
+P	0.76	1.01	1.04
+A	0.66	0.96	0.93
+A	0.53	0.58	0.79
+R	0.54	0.49	0.71
+L	0.51	0.45	0.61
+I	0.52	0.47	0.6
+G	0.57	0.6	0.6
+V	0.62	0.78	0.68
+T	0.83	0.88	0.76
+P	1.05	1.11	0.95
+Q	1.1	1.12	1.03
+D	0.92	1.02	1.0
+I	1.02	1.17	1.16
+I	1.42	1.42	1.43
+D	1.36	1.37	1.48
+Y	1.28	1.36	1.57
+D	1.39	1.51	1.69
+L	1.09	1.29	1.42
+P	1.06	1.4	1.54
+T	1.02	1.4	1.52
+H	1.04	1.51	1.59
+P	1.17	1.53	1.62
+L	1.15	1.46	1.59
+K	1.31	1.66	1.87
+E	1.4	1.79	1.98
+Q	1.34	1.69	2.0
+D	1.06	1.4	1.62
+I	1.12	1.44	1.5
+K	1.26	1.57	1.73
+R	1.12	1.37	1.56
+I	1.02	1.21	1.27
+K	1.21	1.39	1.5
+D	1.3	1.44	1.65
+G	1.16	1.19	1.38
+L	1.23	1.22	1.42
+K	1.45	1.52	1.82
+N	1.48	1.54	1.82
+D	1.25	1.27	1.5
+D	1.43	1.34	1.57
+F	1.12	1.03	1.3
+V	1.08	0.98	1.25
+R	1.49	1.33	1.51
+S	1.65	1.41	1.5
+F	1.47	1.18	1.34
+P	1.59	1.2	1.38
+E	1.49	1.12	1.15
+W	1.24	1.01	0.99
+Q	1.23	1.04	1.16
+K	1.3	1.05	1.13
+A	1.16	0.95	0.98
+L	1.01	1.02	1.04
+K	1.14	1.17	1.15
+Q	1.17	1.13	1.12
+M	1.04	1.08	1.17
+L	1.12	1.32	1.37
+D	1.26	1.43	1.39
+M	1.27	1.38	1.44
+G	1.18	1.43	1.56
+V	1.12	1.33	1.46
+R	0.85	1.22	1.27
+A	0.79	1.19	1.06
+E	0.74	1.18	1.02
+Q	0.77	1.14	0.86
+Q	1.23	1.76	0.93
+S	1.02	1.98	1.19
+L	1.06	1.65	1.27
+A	1.45	1.68	1.23
+K	1.9	2.4	1.91
+Y	2.74	2.41	2.34
+G	2.05	1.76	1.88
+L	1.32	1.54	1.32
+K	1.11	1.25	1.32
+Y	0.97	1.2	1.24
+V	0.86	1.01	1.03
+V	0.9	0.97	1.1
+N	1.0	1.1	1.27
+T	0.88	1.09	1.19
+Y	0.71	0.93	0.98
+L	0.62	0.71	0.84
+P	0.75	0.84	1.03
+E	0.78	0.92	1.05
+K	0.66	0.73	0.88
+I	0.68	0.72	0.93
+K	0.94	0.96	1.2
+D	1.09	1.03	1.26
+E	1.29	0.94	1.33
+S	1.38	1.29	1.65
+T	2.08	1.5	1.37
+W	2.01	1.27	1.0
+L	3.29	1.88	0.95
+P	3.58	2.35	1.07

atlas_1000_analysis/1d3y_B/1d3y_B_contacts.tsv

@@ -0,0 +1,302 @@
+seq	nb_chain	nb_ligand	nb_ion	nb_nucleotide	name_chain	name_ligand	name_ion	name_nucleotide
+T	-	-	-	-	-	-	-	-
+V	-	-	-	-	-	-	-	-
+N	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+D	2	0	0	0	A:ARG,204;A:LYS,350	-	-	-
+F	2	0	0	0	A:ARG,204;A:LEU,349	-	-	-
+S	2	0	0	0	A:ARG,204;A:LEU,349	-	-	-
+T	1	0	0	0	A:GLN,342	-	-	-
+L	0	0	0	0	-	-	-	-
+R	2	0	0	0	A:GLU,340;A:GLN,342	-	-	-
+E	3	0	0	0	A:GLN,342;A:ALA,345;A:LEU,349	-	-	-
+A	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+Y	5	0	0	0	A:PRO,297;A:GLN,342;A:SER,343;A:ALA,345;A:LYS,346	-	-	-
+V	2	0	0	0	A:ALA,345;A:LYS,346	-	-	-
+S	0	0	0	0	-	-	-	-
+K	1	0	0	0	A:LYS,346	-	-	-
+N	1	0	0	0	A:LYS,346	-	-	-
+W	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+F	0	0	1	0	-	-	B:NA,373	-
+D	0	0	1	0	-	-	B:NA,373	-
+D	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+A	0	0	1	0	-	-	B:NA,373	-
+S	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+E	3	0	0	0	A:SER,199;A:GLY,200;A:GLN,342	-	-	-
+E	1	0	0	0	A:SER,199	-	-	-
+D	2	0	0	0	A:SER,199;A:LYS,222	-	-	-
+G	0	0	0	0	-	-	-	-
+S	1	0	0	0	A:ASN,176	-	-	-
+S	2	0	0	0	A:ASP,144;A:ASN,176	-	-	-
+V	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
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+I	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+L	1	0	0	0	A:LYS,169	-	-	-
+V	1	0	0	0	A:LYS,169	-	-	-
+V	2	0	0	0	A:LYS,169;A:LEU,170	-	-	-
+D	0	0	0	0	-	-	-	-
+C	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+K	1	0	0	0	A:LEU,163	-	-	-
+L	3	0	0	0	A:LEU,163;A:VAL,165;A:TYR,175	-	-	-
+G	3	0	0	0	A:GLU,156;A:THR,158;A:LEU,163	-	-	-
+T	4	0	0	0	A:GLU,156;A:TYR,175;A:PRO,178;A:LEU,184	-	-	-
+G	6	0	0	0	A:GLU,156;A:TYR,175;A:ASN,176;A:ILE,177;A:PRO,178;A:LEU,184	-	-	-
+A	2	0	0	0	A:TYR,175;A:ASN,176	-	-	-
+Y	3	0	0	0	A:ALA,174;A:TYR,175;A:ASN,176	-	-	-
+N	5	0	0	0	A:SER,147;A:GLY,173;A:ALA,174;A:TYR,175;A:ASN,176	-	-	-
+I	1	0	0	0	A:GLY,173	-	-	-
+P	2	0	0	0	A:THR,172;A:GLY,173	-	-	-
+N	1	0	0	0	A:ALA,203	-	-	-
+D	1	0	0	0	A:THR,172	-	-	-
+V	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+K	1	0	0	0	A:THR,172	-	-	-
+L	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+T	1	0	0	0	A:ARG,99	-	-	-
+S	4	0	0	0	A:GLU,142;A:GLU,143;A:ASP,144;A:ASN,179	-	-	-
+G	5	0	0	0	A:THR,97;A:ARG,99;A:PRO,141;A:GLU,142;A:ASN,179	-	-	-
+M	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+A	2	0	0	0	A:PHE,95;A:ASN,179	-	-	-
+R	2	0	0	0	A:PHE,95;A:GLU,100	-	-	-
+L	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+A	1	0	0	0	A:PHE,95	-	-	-
+E	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+W	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+C	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+D	0	0	1	0	-	-	B:MG,374	-
+G	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+G	0	0	1	0	-	-	B:MG,374	-
+Y	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+S	-	-	-	-	-	-	-	-
+G	-	-	-	-	-	-	-	-
+K	-	-	-	-	-	-	-	-
+A	-	-	-	-	-	-	-	-
+I	-	-	-	-	-	-	-	-
+H	-	-	-	-	-	-	-	-
+L	-	-	-	-	-	-	-	-
+A	-	-	-	-	-	-	-	-
+D	-	-	-	-	-	-	-	-
+K	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+P	2	0	0	0	A:TYR,103;A:LYS,106	-	-	-
+T	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+W	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
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+A	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+A	1	0	0	0	A:TYR,103	-	-	-
+E	1	0	0	0	A:TYR,103	-	-	-
+Q	0	0	0	0	-	-	-	-
+Q	3	0	0	0	A:ARG,99;A:GLU,100;A:TYR,103	-	-	-
+S	1	0	0	0	A:TYR,103	-	-	-
+L	0	0	0	0	-	-	-	-
+A	3	0	0	0	A:GLU,100;A:TYR,103;A:VAL,104	-	-	-
+K	4	0	0	0	A:TYR,103;A:VAL,104;A:LYS,106;A:ASN,107	-	-	-
+Y	1	0	0	0	A:ASN,107	-	-	-
+G	1	0	0	0	A:VAL,104	-	-	-
+L	2	0	0	0	A:GLU,100;A:VAL,104	-	-	-
+K	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+W	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-

atlas_1000_analysis/1d3y_B/1d3y_B_corresp.tsv

@@ -0,0 +1,302 @@
+UnP_seq	PDB_seq	PDB_num	CIF_num	UnP_num	gap	hetatm	corrected	no_fullbb	no_ca
+T	-	69	1	1	1	0	0	0	0
+V	-	70	2	2	1	0	0	0	0
+N	N	71	3	3	0	0	0	0	0
+Q	Q	72	4	4	0	0	0	0	0
+A	A	73	5	5	0	0	0	0	0
+K	K	74	6	6	0	0	0	0	0
+I	I	75	7	7	0	0	0	0	0
+F	F	76	8	8	0	0	0	0	0
+A	A	77	9	9	0	0	0	0	0
+Q	Q	78	10	10	0	0	0	0	0
+T	T	79	11	11	0	0	0	0	0
+T	T	80	12	12	0	0	0	0	0
+K	K	81	13	13	0	0	0	0	0
+M	M	82	14	14	0	0	0	0	0
+L	L	83	15	15	0	0	0	0	0
+E	E	84	16	16	0	0	0	0	0
+F	F	85	17	17	0	0	0	0	0
+A	A	86	18	18	0	0	0	0	0
+K	K	87	19	19	0	0	0	0	0
+Q	Q	88	20	20	0	0	0	0	0
+L	L	89	21	21	0	0	0	0	0
+L	L	90	22	22	0	0	0	0	0
+E	E	91	23	23	0	0	0	0	0
+T	T	92	24	24	0	0	0	0	0
+D	D	93	25	25	0	0	0	0	0
+D	D	94	26	26	0	0	0	0	0
+F	F	95	27	27	0	0	0	0	0
+S	S	96	28	28	0	0	0	0	0
+T	T	97	29	29	0	0	0	0	0
+L	L	98	30	30	0	0	0	0	0
+R	R	99	31	31	0	0	0	0	0
+E	E	100	32	32	0	0	0	0	0
+A	A	101	33	33	0	0	0	0	0
+Y	Y	102	34	34	0	0	0	0	0
+Y	Y	103	35	35	0	0	0	0	0
+V	V	104	36	36	0	0	0	0	0
+S	S	105	37	37	0	0	0	0	0
+K	K	106	38	38	0	0	0	0	0
+N	N	107	39	39	0	0	0	0	0
+W	W	108	40	40	0	0	0	0	0
+G	G	109	41	41	0	0	0	0	0
+E	E	110	42	42	0	0	0	0	0
+A	A	111	43	43	0	0	0	0	0
+R	R	112	44	44	0	0	0	0	0
+F	F	113	45	45	0	0	0	0	0
+D	D	114	46	46	0	0	0	0	0
+D	D	115	47	47	0	0	0	0	0
+Q	Q	116	48	48	0	0	0	0	0
+Q	Q	117	49	49	0	0	0	0	0
+A	A	118	50	50	0	0	0	0	0
+S	S	119	51	51	0	0	0	0	0
+N	N	120	52	52	0	0	0	0	0
+N	N	121	53	53	0	0	0	0	0
+V	V	122	54	54	0	0	0	0	0
+I	I	123	55	55	0	0	0	0	0
+E	E	124	56	56	0	0	0	0	0
+D	D	125	57	57	0	0	0	0	0
+L	L	126	58	58	0	0	0	0	0
+E	E	127	59	59	0	0	0	0	0
+A	A	128	60	60	0	0	0	0	0
+A	A	129	61	61	0	0	0	0	0
+L	L	130	62	62	0	0	0	0	0
+G	G	131	63	63	0	0	0	0	0
+V	V	132	64	64	0	0	0	0	0
+L	L	133	65	65	0	0	0	0	0
+R	R	134	66	66	0	0	0	0	0
+E	E	135	67	67	0	0	0	0	0
+H	H	136	68	68	0	0	0	0	0
+L	L	137	69	69	0	0	0	0	0
+G	G	138	70	70	0	0	0	0	0
+F	F	139	71	71	0	0	0	0	0
+I	I	140	72	72	0	0	0	0	0
+P	P	141	73	73	0	0	0	0	0
+E	E	142	74	74	0	0	0	0	0
+E	E	143	75	75	0	0	0	0	0
+D	D	144	76	76	0	0	0	0	0
+G	G	145	77	77	0	0	0	0	0
+S	S	146	78	78	0	0	0	0	0
+S	S	147	79	79	0	0	0	0	0
+V	V	148	80	80	0	0	0	0	0
+V	V	149	81	81	0	0	0	0	0
+G	G	150	82	82	0	0	0	0	0
+P	P	151	83	83	0	0	0	0	0
+L	L	152	84	84	0	0	0	0	0
+K	K	153	85	85	0	0	0	0	0
+I	I	154	86	86	0	0	0	0	0
+I	I	155	87	87	0	0	0	0	0
+E	E	156	88	88	0	0	0	0	0
+E	E	157	89	89	0	0	0	0	0
+T	T	158	90	90	0	0	0	0	0
+P	P	159	91	91	0	0	0	0	0
+E	E	160	92	92	0	0	0	0	0
+G	G	161	93	93	0	0	0	0	0
+E	E	162	94	94	0	0	0	0	0
+L	L	163	95	95	0	0	0	0	0
+V	V	164	96	96	0	0	0	0	0
+V	V	165	97	97	0	0	0	0	0
+D	D	166	98	98	0	0	0	0	0
+C	C	167	99	99	0	0	0	0	0
+T	T	168	100	100	0	0	0	0	0
+K	K	169	101	101	0	0	0	0	0
+L	L	170	102	102	0	0	0	0	0
+G	G	171	103	103	0	0	0	0	0
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atlas_1000_analysis/1d3y_B/1d3y_B_gyrate.tsv

@@ -0,0 +1,1001 @@
+time	gyr_R1	gyr_R2	gyr_R3
+0.1	22.03	22.16	22.03
+0.2	21.79	22.0	22.0
+0.3	21.93	21.98	22.07
+0.4	21.84	21.84	22.03
+0.5	22.11	22.01	21.94
+0.6	22.0	21.98	22.13
+0.7	21.97	21.69	22.16
+0.8	21.94	22.31	21.95
+0.9	22.08	22.27	22.1
+1.0	21.89	22.41	22.09
+1.1	21.94	22.3	22.06
+1.2	22.04	22.19	22.2
+1.3	22.12	21.95	22.01
+1.4	22.03	22.16	22.07
+1.5	21.93	22.16	22.36
+1.6	21.86	22.07	21.96
+1.7	21.83	21.86	22.21
+1.8	22.07	22.04	22.26
+1.9	21.9	22.16	21.92
+2.0	22.12	21.97	22.02
+2.1	22.1	22.08	22.06
+2.2	22.01	22.27	21.83
+2.3	22.23	22.18	22.07
+2.4	22.08	22.16	22.12
+2.5	22.06	22.04	22.24
+2.6	22.01	22.2	22.2
+2.7	22.07	22.26	22.35
+2.8	22.13	22.26	22.22
+2.9	22.23	22.19	22.54
+3.0	22.44	22.17	22.38
+3.1	22.16	22.17	22.38
+3.2	22.15	22.09	22.35
+3.3	22.18	22.09	22.58
+3.4	21.99	21.82	22.4
+3.5	22.13	22.02	22.57
+3.6	22.17	21.99	22.48
+3.7	22.02	21.85	22.36
+3.8	21.96	21.86	22.24
+3.9	22.06	21.94	22.07
+4.0	22.17	21.89	22.14
+4.1	22.0	22.02	22.01
+4.2	21.84	22.21	22.12
+4.3	22.05	22.22	22.08
+4.4	21.94	21.84	22.22
+4.5	21.81	22.01	22.0
+4.6	22.05	21.98	22.05
+4.7	21.73	22.02	21.99
+4.8	21.9	22.07	21.88
+4.9	21.85	22.04	22.15
+5.0	21.64	22.04	22.04
+5.1	21.9	21.98	21.98
+5.2	21.83	22.24	22.0
+5.3	21.74	22.34	21.99
+5.4	21.97	22.18	22.16
+5.5	21.86	22.36	21.98
+5.6	21.78	22.09	22.06
+5.7	21.81	22.17	22.14
+5.8	21.68	22.3	22.08
+5.9	21.76	22.29	22.19
+6.0	21.59	22.13	22.2
+6.1	21.36	22.19	22.03
+6.2	21.47	22.37	22.0
+6.3	21.78	22.01	22.06
+6.4	21.74	22.11	22.13
+6.5	21.86	22.27	22.05
+6.6	21.63	22.12	22.26
+6.7	21.65	22.19	22.24
+6.8	21.9	22.18	22.14
+6.9	21.83	22.27	22.09
+7.0	21.76	22.31	22.36
+7.1	21.86	22.28	22.39
+7.2	22.15	22.14	22.32
+7.3	22.04	22.26	22.44
+7.4	21.93	22.07	22.29
+7.5	22.13	22.14	22.21
+7.6	21.95	22.21	22.18
+7.7	22.13	22.37	22.34
+7.8	22.12	22.5	22.14
+7.9	22.25	22.43	22.44
+8.0	21.92	22.26	22.11
+8.1	22.08	22.28	22.45
+8.2	21.99	22.44	22.18
+8.3	22.0	22.34	22.21
+8.4	22.11	22.33	22.26
+8.5	21.83	22.35	22.14
+8.6	22.01	22.5	22.18
+8.7	21.99	22.32	22.11
+8.8	22.03	22.21	22.13
+8.9	21.96	22.16	22.06
+9.0	21.99	22.25	22.18
+9.1	21.81	22.21	22.11
+9.2	21.6	22.24	22.36
+9.3	21.77	22.15	22.26
+9.4	21.71	22.21	22.13
+9.5	21.93	22.2	22.0
+9.6	21.83	22.27	22.34
+9.7	21.83	22.19	21.98
+9.8	22.02	22.01	22.0
+9.9	21.86	22.22	22.12
+10.0	21.99	22.15	22.08
+10.1	22.17	22.14	22.09
+10.2	21.73	21.99	22.06
+10.3	21.76	22.37	22.16
+10.4	21.86	22.14	22.22
+10.5	21.89	22.22	21.92
+10.6	22.0	22.37	22.03
+10.7	22.0	22.17	22.05
+10.8	22.09	21.91	21.74
+10.9	22.12	22.13	21.7
+11.0	22.32	22.15	21.72
+11.1	22.39	21.99	21.88
+11.2	21.97	22.06	21.65
+11.3	22.0	22.03	21.64
+11.4	21.96	21.9	21.74
+11.5	22.15	22.16	21.78
+11.6	22.12	22.21	21.79
+11.7	22.2	22.27	21.99
+11.8	22.07	22.2	21.86
+11.9	22.04	22.11	21.95
+12.0	22.06	22.35	21.77
+12.1	22.27	22.23	21.77
+12.2	22.16	22.19	21.81
+12.3	22.28	22.32	21.86
+12.4	22.12	22.2	21.66
+12.5	22.02	22.25	21.74
+12.6	22.07	22.21	21.7
+12.7	22.32	22.13	21.68
+12.8	21.91	22.04	21.43
+12.9	21.94	22.16	21.43
+13.0	22.02	22.06	21.86
+13.1	22.03	22.14	21.67
+13.2	22.08	22.33	21.62
+13.3	22.17	22.09	21.6
+13.4	21.91	22.18	21.52
+13.5	22.09	22.09	21.55
+13.6	22.07	22.43	21.86
+13.7	21.99	22.14	21.54
+13.8	21.97	22.24	21.42
+13.9	22.04	22.33	21.54
+14.0	22.04	22.27	21.56
+14.1	22.13	22.42	21.6
+14.2	21.99	22.44	21.49
+14.3	22.09	22.35	21.87
+14.4	21.94	22.21	21.51
+14.5	21.99	22.36	21.51
+14.6	21.91	22.27	21.63
+14.7	22.07	22.25	21.42
+14.8	22.15	22.3	21.46
+14.9	22.01	22.4	21.58
+15.0	21.94	22.24	21.74
+15.1	21.95	22.49	21.9
+15.2	22.01	22.24	21.56
+15.3	21.74	22.33	21.59
+15.4	21.59	22.25	21.75
+15.5	21.64	22.19	21.66
+15.6	21.93	22.31	21.73
+15.7	22.09	22.24	21.81
+15.8	22.08	22.23	21.71
+15.9	21.85	22.27	21.62
+16.0	21.91	22.26	21.77
+16.1	22.12	22.44	21.72
+16.2	22.09	22.41	21.57
+16.3	22.01	22.56	21.73
+16.4	21.93	22.46	21.94
+16.5	21.91	22.26	21.86
+16.6	21.87	22.32	21.8
+16.7	22.15	22.52	21.91
+16.8	21.99	22.33	21.86
+16.9	22.02	22.37	21.91
+17.0	21.88	22.56	21.67
+17.1	22.03	22.32	21.59
+17.2	22.2	22.55	21.86
+17.3	22.11	22.41	21.58
+17.4	21.84	22.36	21.76
+17.5	21.99	22.42	21.62
+17.6	22.13	22.53	21.8
+17.7	22.16	22.46	21.84
+17.8	21.99	22.38	21.76
+17.9	21.79	22.36	21.78
+18.0	21.91	22.3	21.68
+18.1	22.0	22.34	21.73
+18.2	21.95	22.07	21.87
+18.3	21.97	22.35	21.87
+18.4	22.02	22.59	21.76
+18.5	22.12	22.28	21.71
+18.6	21.89	22.41	21.69
+18.7	21.91	22.49	21.84
+18.8	21.97	22.3	21.79
+18.9	21.85	22.4	21.64
+19.0	22.05	22.36	21.73
+19.1	21.82	22.42	21.66
+19.2	21.95	22.22	21.93
+19.3	21.95	22.22	21.74
+19.4	21.91	22.49	21.92
+19.5	21.78	22.1	21.68
+19.6	22.01	22.24	21.82
+19.7	22.07	22.22	21.68
+19.8	22.0	22.13	21.64
+19.9	21.84	22.18	21.57
+20.0	22.05	22.17	21.56
+20.1	22.05	22.21	21.55
+20.2	22.04	22.24	21.62
+20.3	22.01	22.29	21.75
+20.4	21.87	22.26	21.87
+20.5	21.99	22.09	21.85
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atlas_1000_analysis/1d3y_B/1d3y_B_pLDDT.tsv

@@ -0,0 +1,302 @@
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+N	94.68
+D	92.82
+D	92.06
+F	92.8
+V	96.01
+R	94.38
+S	94.48
+F	96.48
+P	97.51
+E	97.91
+W	98.02
+Q	98.17
+K	98.39
+A	98.39
+L	98.57
+K	98.52
+Q	98.65
+M	98.57
+L	98.25
+D	98.34
+M	98.27
+G	98.37
+V	98.62
+R	98.34
+A	98.13
+E	96.91
+Q	96.33
+Q	94.78
+S	96.65
+L	96.67
+A	95.29
+K	95.42
+Y	95.29
+G	95.69
+L	93.47
+K	95.35
+Y	97.31
+V	97.42
+V	97.31
+N	97.41
+T	97.32
+Y	98.2
+L	98.27
+P	98.02
+E	97.87
+K	97.75
+I	97.75
+K	96.74
+D	96.54
+E	96.44
+S	96.11
+T	95.73
+W	97.82
+L	98.16
+P	95.53

atlas_1000_analysis/1d3y_B/README.txt

@@ -0,0 +1,40 @@
+These trajectories and corresponding analysis were downloaded from the ATLAS database (https://www.dsimb.inserm.fr/ATLAS).
+
+ATLAS gathers standardized molecular dynamics simulations of protein structures accompanied by their analysis in the form of interactive diagrams and trajectory visualization. All the raw trajectories as well as the results of analysis are available for download.
+
+
+ • ARCHIVE CONTENT •
+Protein structure and trajectory files:
+     - PDB_Name.pdb: Protein structure in PDB format used to launch the molecular dynamics (after energy minimisation and equilibrations).
+     - PDB_Name_corresp.tsv: Correspondence between the author residue number (PDB file / CIF file) and the new numbering (starting from 1).
+     - PDB_Name_R{1,2,3}.tpr: File containing the starting structure of the simulation, the molecular topology and all the simulation parameters.
+     - PDB_Name_R{1,2,3}.xtc: MD trajectory without solvent molecules. Each trajectory is of 100 ns with frames saved every 100 ps (1,000 frames in total).
+
+Results of MD simulation analysis:
+     - PDB_Name_Bfactor.tsv: Experimental B-factor values of the initial PDB structure (in Ų).
+     - PDB_Name_RMSF.tsv: RMSF values for the 3 MD replicates (in Å).
+     - PDB_Name_Neq.tsv: Local deformability index Neq for the 3 MD replicates.
+     - PDB_Name_RMSD.tsv: RMSD values for the 3 MD replicates (in Å / ns).
+     - PDB_Name_gyr.tsv: Gyration radius values for the 3 MD replicates (in Å / ns).
+     - PDB_Name_contacts.tsv: Residue-level interactions co-crystallized with the protein of interest (chain, ligands, ions and nucleotides within 6 Å threshold of the α-carbon of the residue).
+     - PDB_Name_pLDDT.tsv: AlphaFold2 pLDDT. pLDDT is the per-residue prediction confidence metric, not a flexibility measurement.
+
+See the ATLAS about page (https://www.dsimb.inserm.fr/ATLAS/about.html) for details.
+
+ • MOLECULAR DYNAMICS PARAMETERS •
+Download the ATLAS GROMACS molecular dynamics parameters (.mdp) and force-field files (CHARMM36m) with https://www.dsimb.inserm.fr/ATLAS/data/download/ATLAS_parameters.zip or using the REST API with `curl -X 'GET' 'https://www.dsimb.inserm.fr/ATLAS/api/MD_parameters' -o MD_parameters.zip`
+
+
+ • LICENSE •
+The ATLAS database is released under a Creative Commons Attribution-NonCommercial 4.0 International license (CC-BY-NC). This license is one of the Creative Commons licenses and allows users to share and adapt the dataset if they give credit to the copyright holder and do not use the dataset for any commercial purposes. See https://creativecommons.org/licenses/by-nc/4.0/ for details.
+Please contact us for commercial use.
+
+
+ • CONTACTS •
+For scientific collaboration, please contact:
+      Tatiana GALOCHKINA, Associate Professor, Université Paris Cité
+      tatiana.galochkina (at) u-paris.fr
+  or
+      Jean-Christophe GELLY, Professor, Université Paris Cité
+      jean-christophe.gelly (at) u-paris.fr 
+

atlas_1000_analysis/1d3y_B/extract.done

@@ -0,0 +1 @@
+ok

atlas_1000_analysis/1ikt_A/1ikt_A_Bfactor.tsv

@@ -0,0 +1,121 @@
+Bfactor
+""
+""
+""
+""
+""
+29.51
+25.37
+23.53
+23.75
+27.56
+21.83
+21.86
+23.88
+23.24
+22.81
+26.58
+30.65
+30.3
+33.28
+42.56
+43.76
+41.09
+36.37
+36.41
+34.62
+31.1
+29.43
+33.14
+33.76
+31.37
+29.11
+24.36
+20.74
+20.76
+17.78
+17.38
+17.65
+18.35
+22.14
+35.12
+43.39
+44.07
+37.19
+27.76
+26.39
+23.62
+20.27
+19.22
+18.01
+20.12
+27.25
+33.01
+41.79
+41.7
+36.82
+34.13
+30.84
+29.14
+24.44
+22.78
+25.33
+22.39
+22.54
+20.79
+23.32
+21.48
+20.79
+19.81
+19.89
+18.98
+19.3
+18.21
+18.11
+16.99
+19.3
+18.53
+23.75
+19.28
+18.96
+23.44
+24.56
+23.35
+28.42
+32.02
+35.03
+34.43
+27.01
+23.83
+26.97
+24.58
+21.1
+20.15
+21.35
+22.9
+24.72
+25.67
+24.4
+21.22
+18.88
+21.4
+22.23
+26.55
+29.24
+32.39
+37.31
+38.83
+40.67
+42.24
+40.64
+36.88
+38.75
+41.64
+41.52
+43.58
+47.91
+48.72
+49.87
+52.33
+50.82
+49.57

atlas_1000_analysis/1ikt_A/1ikt_A_Neq.tsv

@@ -0,0 +1,121 @@
+seq	Neq_R1	Neq_R2	Neq_R3
+M	1.0	1.0	1.0
+E	1.0	1.0	1.0
+G	6.385	6.191	5.973
+G	4.888	5.23	3.503
+K	2.986	2.685	1.556
+L	1.717	1.562	1.0
+Q	1.013	1.0	1.0
+S	1.0	1.0	1.0
+T	1.0	1.0	1.0
+F	1.0	1.0	1.0
+V	1.0	1.0	1.0
+F	1.0	1.0	1.0
+E	1.0	1.0	1.0
+E	1.0	1.0	1.0
+I	1.0	1.0	1.0
+G	1.0	1.0	1.0
+R	1.0	1.0	1.0
+R	1.0	1.0	1.0
+L	1.0	1.0	1.0
+K	1.0	1.0	1.003
+D	1.354	1.177	1.737
+I	1.999	1.506	1.299
+G	1.307	2.346	1.072
+P	1.046	1.383	1.011
+E	1.611	1.429	1.702
+V	1.001	2.492	1.0
+V	1.0	1.997	1.0
+K	1.0	2.152	1.0
+K	1.001	2.599	1.0
+V	1.0	2.646	1.0
+N	1.0	2.263	1.0
+A	1.004	2.159	1.004
+V	1.965	1.995	1.997
+F	1.0	1.0	1.0
+E	1.0	1.0	1.0
+W	1.0	1.0	1.0
+H	1.013	1.0	1.0
+I	1.001	1.0	1.0
+T	1.243	1.716	1.025
+K	2.426	2.979	2.035
+G	3.166	3.883	1.575
+G	4.329	3.995	1.697
+N	2.51	2.386	1.518
+I	1.234	1.111	1.079
+G	1.125	1.045	1.015
+A	1.226	1.162	1.191
+K	1.142	1.049	1.016
+W	1.001	1.0	1.0
+T	1.0	1.0	1.005
+I	1.0	1.0	1.0
+D	1.291	1.154	1.476
+L	1.673	1.324	1.937
+K	2.095	1.53	2.286
+S	5.625	3.563	3.712
+G	2.655	1.7	1.609
+S	3.448	2.454	2.225
+G	1.632	1.046	1.062
+K	1.246	1.115	1.044
+V	1.136	1.0	1.0
+Y	1.001	1.002	1.338
+Q	2.008	2.006	2.542
+G	1.161	1.202	1.486
+P	1.113	1.059	1.544
+A	1.811	1.748	1.601
+K	2.408	2.386	2.076
+G	4.308	4.133	3.597
+A	3.053	3.133	2.761
+A	1.339	1.396	1.547
+D	1.0	1.002	1.0
+T	1.414	1.289	1.325
+T	1.0	1.002	1.0
+I	1.0	1.0	1.0
+I	1.0	1.0	1.0
+L	1.004	1.001	1.002
+S	1.0	1.0	1.0
+D	1.0	1.0	1.0
+E	1.0	1.0	1.0
+D	1.0	1.0	1.0
+F	1.0	1.0	1.0
+M	1.0	1.0	1.0
+E	1.0	1.0	1.0
+V	1.0	1.0	1.0
+V	1.0	1.0	1.0
+L	1.0	1.0	1.0
+G	1.235	1.25	1.187
+K	1.015	1.011	1.0
+L	1.247	1.297	1.193
+D	1.002	1.009	1.004
+P	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+K	1.0	1.0	1.0
+A	1.0	1.0	1.0
+F	1.0	1.001	1.0
+F	1.0	1.0	1.0
+S	1.0	1.0	1.0
+G	1.719	2.002	1.62
+R	1.071	1.054	1.067
+L	1.476	1.664	1.243
+K	1.0	1.001	1.0
+A	1.243	1.989	1.0
+R	2.415	3.768	2.01
+G	1.442	3.152	1.089
+N	1.17	2.838	1.097
+I	1.014	1.952	1.006
+M	1.0	1.702	1.0
+L	1.0	1.0	1.0
+S	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+K	1.0	1.0	1.0
+L	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+M	1.0	1.0	1.0
+I	1.0	1.0	1.0
+L	1.0	1.0	1.0
+K	1.0	1.0	1.0
+D	1.381	1.001	1.053
+Y	4.247	1.005	3.079
+A	4.216	1.061	3.203
+K	1.0	1.0	1.0
+L	1.0	1.0	1.0

atlas_1000_analysis/1ikt_A/1ikt_A_RMSD.tsv

@@ -0,0 +1,1002 @@
+time	RMSD_R1	RMSD_R2	RMSD_R3
+0.0	0.0	0.0	0.0
+0.1	1.53	1.06	1.57
+0.2	1.86	1.43	1.59
+0.3	1.32	1.39	1.74
+0.4	1.51	1.81	1.51
+0.5	2.05	1.94	1.69
+0.6	1.88	1.78	2.48
+0.7	1.65	2.09	1.9
+0.8	1.77	2.14	2.44
+0.9	1.47	1.82	2.34
+1.0	1.85	1.44	2.49
+1.1	1.62	1.47	2.56
+1.2	2.03	1.55	2.38
+1.3	1.82	1.97	2.64
+1.4	2.09	2.0	2.35
+1.5	2.02	2.62	2.0
+1.6	1.98	2.8	2.65
+1.7	1.49	2.63	2.61
+1.8	1.94	2.29	2.73
+1.9	1.67	1.95	2.63
+2.0	1.51	2.48	2.6
+2.1	1.56	2.7	2.57
+2.2	2.12	2.71	2.64
+2.3	2.23	2.72	2.32
+2.4	1.77	2.81	2.67
+2.5	1.87	2.92	2.33
+2.6	2.18	2.49	2.14
+2.7	1.88	2.58	1.96
+2.8	2.25	3.11	2.21
+2.9	2.04	2.9	2.32
+3.0	1.74	2.84	1.98
+3.1	1.86	2.84	1.91
+3.2	1.85	2.97	1.94
+3.3	2.34	3.04	2.05
+3.4	1.81	3.03	1.82
+3.5	2.29	3.06	1.68
+3.6	2.23	2.89	1.77
+3.7	1.6	2.8	2.12
+3.8	1.76	3.44	2.18
+3.9	1.58	2.88	1.67
+4.0	1.29	3.04	1.78
+4.1	1.36	2.82	1.86
+4.2	2.04	2.9	1.88
+4.3	2.18	2.93	1.78
+4.4	2.47	2.77	1.77
+4.5	2.35	2.87	1.81
+4.6	2.53	2.62	1.59
+4.7	2.61	2.88	1.79
+4.8	2.35	2.57	2.0
+4.9	2.31	2.21	2.09
+5.0	2.4	2.55	2.05
+5.1	2.62	2.68	2.06
+5.2	2.36	2.56	2.04
+5.3	2.96	2.15	2.21
+5.4	2.42	2.76	2.72
+5.5	2.68	2.3	2.45
+5.6	2.67	2.76	1.88
+5.7	2.65	2.64	2.26
+5.8	2.49	3.04	1.71
+5.9	2.9	3.06	2.68
+6.0	2.53	2.62	2.63
+6.1	2.02	2.33	2.2
+6.2	1.87	2.69	2.31
+6.3	1.88	2.65	2.16
+6.4	1.94	2.24	2.11
+6.5	1.98	2.25	1.79
+6.6	2.29	2.29	1.77
+6.7	2.88	2.35	2.0
+6.8	2.37	2.29	1.86
+6.9	2.57	2.4	1.58
+7.0	2.54	2.18	1.55
+7.1	2.45	2.05	1.82
+7.2	2.54	2.33	2.22
+7.3	2.59	2.24	2.16
+7.4	2.52	2.94	2.25
+7.5	2.62	2.69	2.11
+7.6	2.59	2.86	2.04
+7.7	2.61	2.99	2.18
+7.8	2.77	2.75	2.24
+7.9	2.48	2.9	2.12
+8.0	2.26	3.13	2.18
+8.1	2.55	3.02	2.27
+8.2	2.57	2.67	2.38
+8.3	2.8	2.54	2.76
+8.4	2.63	2.42	2.62
+8.5	2.6	2.61	3.11
+8.6	2.87	2.54	2.95
+8.7	2.41	2.44	3.18
+8.8	2.57	2.29	3.15
+8.9	2.57	2.32	2.83
+9.0	2.65	2.57	3.07
+9.1	2.41	2.59	3.05
+9.2	2.28	2.58	3.21
+9.3	2.63	2.59	3.19
+9.4	2.4	2.5	2.9
+9.5	2.46	2.62	2.83
+9.6	2.42	2.63	2.92
+9.7	2.46	2.62	3.18
+9.8	2.65	2.45	3.25
+9.9	2.64	2.27	2.88
+10.0	2.68	2.73	2.74
+10.1	2.49	2.77	3.04
+10.2	2.35	2.47	2.97
+10.3	2.34	2.74	2.92
+10.4	2.23	2.55	3.18
+10.5	2.6	2.26	3.09
+10.6	2.56	1.91	2.87
+10.7	2.54	1.98	2.76
+10.8	2.7	1.96	3.29
+10.9	2.65	2.13	3.01
+11.0	2.71	2.01	3.24
+11.1	2.71	2.18	3.0
+11.2	2.47	2.2	3.09
+11.3	2.84	2.29	3.25
+11.4	2.8	2.52	2.96
+11.5	2.87	2.34	2.95
+11.6	2.69	2.35	3.17
+11.7	2.51	2.3	3.0
+11.8	2.7	2.12	2.96
+11.9	2.77	2.12	2.76
+12.0	2.57	2.19	3.09
+12.1	2.65	2.33	3.35
+12.2	2.61	2.42	3.17
+12.3	2.7	2.39	3.13
+12.4	3.19	2.57	3.19
+12.5	2.72	2.6	3.18
+12.6	2.8	2.91	2.98
+12.7	2.58	2.63	2.71
+12.8	2.89	2.82	2.91
+12.9	2.47	2.58	3.05
+13.0	2.76	2.44	3.0
+13.1	2.83	2.41	2.99
+13.2	2.7	2.33	3.0
+13.3	2.5	2.41	2.96
+13.4	2.33	2.36	2.9
+13.5	2.19	2.34	2.84
+13.6	2.32	2.17	3.05
+13.7	2.43	2.31	3.05
+13.8	2.8	2.73	3.0
+13.9	2.93	2.25	2.83
+14.0	2.76	2.18	2.75
+14.1	2.58	2.67	3.02
+14.2	2.84	2.28	3.1
+14.3	2.74	2.3	3.17
+14.4	2.82	2.43	3.17
+14.5	2.66	2.63	3.15
+14.6	3.02	2.28	3.14
+14.7	3.09	2.54	3.11
+14.8	2.89	2.58	3.1
+14.9	3.03	2.65	3.17
+15.0	3.02	2.37	3.23
+15.1	2.82	2.36	3.14
+15.2	2.87	2.37	3.3
+15.3	2.83	2.28	3.16
+15.4	2.61	2.27	3.24
+15.5	2.84	2.64	3.38
+15.6	2.8	2.83	3.11
+15.7	2.99	2.65	3.18
+15.8	2.59	2.66	3.11
+15.9	2.84	2.81	3.15
+16.0	2.64	2.7	3.22
+16.1	2.63	2.92	3.19
+16.2	2.59	2.83	3.18
+16.3	2.68	2.68	3.09
+16.4	2.72	2.47	3.12
+16.5	3.0	2.6	3.34
+16.6	2.94	2.41	3.11
+16.7	2.77	2.5	3.19
+16.8	2.84	2.62	3.15
+16.9	2.71	2.65	3.16
+17.0	2.64	3.05	3.19
+17.1	2.84	2.72	3.15
+17.2	2.74	2.78	3.23
+17.3	2.62	2.88	3.0
+17.4	2.31	2.87	3.27
+17.5	2.58	2.89	3.17
+17.6	2.4	2.84	3.23
+17.7	2.67	3.02	3.12
+17.8	2.68	2.63	3.14
+17.9	2.56	2.35	2.89
+18.0	2.74	2.22	2.71
+18.1	2.45	2.02	2.72
+18.2	2.47	2.08	2.59
+18.3	2.82	2.33	2.61
+18.4	2.69	2.21	2.87
+18.5	2.69	2.28	2.8
+18.6	2.88	2.25	2.48
+18.7	2.81	2.16	2.7
+18.8	2.8	2.42	2.99
+18.9	2.73	2.18	3.06
+19.0	2.75	2.28	3.0
+19.1	2.48	2.21	2.85
+19.2	2.64	2.37	2.9
+19.3	2.59	2.67	3.12
+19.4	2.41	2.84	3.2
+19.5	2.45	2.65	2.89
+19.6	2.69	2.41	2.98
+19.7	2.23	2.35	3.02
+19.8	2.43	2.55	2.96
+19.9	2.63	2.16	2.89
+20.0	2.84	2.37	2.97
+20.1	2.86	2.33	2.87
+20.2	2.81	2.59	2.86
+20.3	2.76	2.8	2.79
+20.4	3.03	2.58	2.93
+20.5	2.99	2.8	2.81
+20.6	3.17	2.52	2.5
+20.7	2.79	2.49	2.87
+20.8	3.15	2.34	2.54
+20.9	3.27	2.28	2.53
+21.0	2.94	2.16	2.68
+21.1	3.16	2.4	2.97
+21.2	2.91	2.61	2.99
+21.3	2.97	2.48	3.06
+21.4	2.68	2.22	2.87
+21.5	3.02	2.31	2.87
+21.6	3.11	2.33	2.94
+21.7	3.13	2.21	2.96
+21.8	2.68	2.39	3.27
+21.9	3.07	2.72	3.15
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+67.4	2.31	3.03	3.15
+67.5	2.33	2.87	3.33
+67.6	2.11	3.04	3.23
+67.7	2.15	2.9	3.23
+67.8	2.36	3.0	3.19
+67.9	2.5	2.94	3.16
+68.0	3.08	2.97	3.18
+68.1	2.62	2.94	3.27
+68.2	2.78	2.91	3.18
+68.3	2.59	3.09	3.31
+68.4	2.76	3.36	3.25
+68.5	2.38	3.19	3.15
+68.6	2.67	2.97	3.2
+68.7	3.05	2.87	3.16
+68.8	2.55	2.96	3.26
+68.9	2.72	3.01	3.22
+69.0	2.86	3.06	3.28
+69.1	3.02	3.01	3.24
+69.2	2.92	3.02	3.15
+69.3	3.16	3.1	3.26
+69.4	2.95	2.91	3.52
+69.5	2.78	3.21	3.11
+69.6	2.83	3.04	3.19
+69.7	2.92	2.96	2.97
+69.8	2.92	3.07	2.87
+69.9	3.24	3.07	3.12
+70.0	3.21	3.21	3.27
+70.1	3.12	3.02	3.0
+70.2	3.42	3.04	3.11
+70.3	3.17	3.08	3.01
+70.4	2.58	3.0	3.02
+70.5	2.7	2.99	3.12
+70.6	2.85	2.97	3.01
+70.7	2.97	3.01	2.95
+70.8	2.77	3.08	2.99
+70.9	2.96	2.95	3.03
+71.0	3.05	2.97	3.14
+71.1	3.11	2.95	3.09
+71.2	2.95	3.12	3.05
+71.3	3.07	2.98	3.1
+71.4	3.03	3.06	3.05
+71.5	3.06	2.85	3.11
+71.6	3.09	2.98	3.11
+71.7	2.81	3.06	3.04
+71.8	3.11	3.03	3.16
+71.9	2.75	2.79	3.22
+72.0	2.91	2.89	3.15
+72.1	2.9	3.2	3.2
+72.2	2.71	3.17	3.22
+72.3	2.66	3.25	3.22
+72.4	2.63	3.19	3.12
+72.5	2.61	3.14	3.09
+72.6	2.69	3.03	3.31
+72.7	2.77	3.01	3.25
+72.8	2.77	3.03	3.21
+72.9	2.86	3.17	3.14
+73.0	2.55	3.12	3.23
+73.1	2.61	3.16	3.09
+73.2	2.6	2.99	3.15
+73.3	2.77	3.13	3.31
+73.4	2.82	3.23	3.21
+73.5	2.81	3.08	3.09
+73.6	2.85	3.14	3.29
+73.7	3.21	3.04	3.3
+73.8	2.85	3.09	3.25
+73.9	2.74	3.03	3.35
+74.0	2.94	2.9	3.17
+74.1	2.82	3.02	3.1
+74.2	2.88	2.92	3.16
+74.3	2.79	3.16	3.16
+74.4	2.59	3.23	3.25
+74.5	2.78	3.14	3.07
+74.6	2.66	3.16	3.16
+74.7	2.47	2.9	3.26
+74.8	2.9	3.09	3.18
+74.9	2.79	3.05	3.14
+75.0	2.66	3.12	3.3
+75.1	2.34	3.16	3.47
+75.2	2.46	3.05	3.37
+75.3	2.91	3.1	3.42
+75.4	2.67	3.14	3.19
+75.5	2.57	3.14	3.25
+75.6	2.91	3.09	3.29
+75.7	2.34	3.03	3.34
+75.8	2.71	3.07	3.38
+75.9	2.62	3.02	3.15
+76.0	2.59	3.28	3.12
+76.1	2.87	3.05	3.09
+76.2	2.76	3.28	3.22
+76.3	2.8	3.11	3.22
+76.4	2.77	3.23	3.19
+76.5	2.58	3.17	3.18
+76.6	2.49	3.19	3.21
+76.7	2.37	3.18	3.28
+76.8	2.54	3.33	3.13
+76.9	2.37	3.3	3.1
+77.0	2.08	3.11	3.12
+77.1	2.18	3.04	3.2
+77.2	2.61	3.18	3.21
+77.3	2.02	3.21	3.18
+77.4	2.1	3.19	3.08
+77.5	2.11	3.3	3.32
+77.6	2.19	3.15	3.3
+77.7	2.34	3.0	3.19
+77.8	2.56	3.03	3.06
+77.9	2.23	3.05	3.15
+78.0	2.05	3.03	3.07
+78.1	2.5	2.89	2.99
+78.2	2.33	3.11	2.88
+78.3	2.28	3.24	3.03
+78.4	2.78	3.26	3.42
+78.5	2.74	2.93	3.32
+78.6	2.68	3.04	3.11
+78.7	2.75	3.15	3.09
+78.8	2.89	3.05	2.85
+78.9	2.73	3.18	3.07
+79.0	2.72	3.29	3.1
+79.1	2.6	3.28	3.18
+79.2	2.65	3.23	3.32
+79.3	2.69	3.13	3.05
+79.4	2.84	3.13	3.33
+79.5	2.75	3.41	3.11
+79.6	2.91	3.3	3.0
+79.7	2.99	3.28	3.24
+79.8	3.05	3.17	3.48
+79.9	3.07	3.03	3.31
+80.0	3.18	3.21	3.34
+80.1	3.13	3.12	3.37
+80.2	3.48	3.29	3.35
+80.3	3.47	3.24	3.26
+80.4	3.33	3.4	3.38
+80.5	3.41	3.23	3.13
+80.6	3.54	3.06	3.1
+80.7	3.4	3.15	3.01
+80.8	3.45	3.2	2.85
+80.9	3.54	3.0	3.01
+81.0	3.3	3.18	3.06
+81.1	3.06	2.95	3.11
+81.2	3.15	3.06	3.02
+81.3	3.35	3.17	3.22
+81.4	3.28	2.99	3.05
+81.5	3.42	3.13	2.94
+81.6	3.49	2.84	3.21
+81.7	3.34	3.0	3.32
+81.8	3.38	2.95	3.47
+81.9	3.36	2.92	3.57
+82.0	3.52	2.97	3.57
+82.1	3.49	3.01	3.34
+82.2	3.4	2.93	3.31
+82.3	3.3	2.99	3.19
+82.4	3.48	3.13	3.28
+82.5	3.67	3.2	3.35
+82.6	3.52	3.22	3.3
+82.7	3.39	3.38	3.22
+82.8	3.64	3.11	3.25
+82.9	3.4	3.26	3.42
+83.0	3.16	3.14	3.43
+83.1	3.3	3.22	3.34
+83.2	3.4	3.23	3.39
+83.3	3.45	3.27	3.29
+83.4	3.5	3.37	3.46
+83.5	3.51	3.25	3.39
+83.6	3.44	3.21	3.59
+83.7	3.42	3.06	3.21
+83.8	3.53	3.09	3.2
+83.9	3.46	3.25	3.23
+84.0	3.41	3.16	3.27
+84.1	3.61	3.22	3.39
+84.2	3.54	3.15	3.49
+84.3	3.53	3.21	2.8
+84.4	3.46	3.16	2.89
+84.5	3.48	3.18	2.93
+84.6	3.51	3.18	3.04
+84.7	3.3	3.2	2.89
+84.8	3.36	3.06	3.17
+84.9	3.54	3.21	3.34
+85.0	3.42	3.07	3.44
+85.1	3.32	3.14	3.38
+85.2	3.34	3.07	3.43
+85.3	3.45	3.03	3.17
+85.4	3.45	3.15	3.26
+85.5	3.42	3.23	3.42
+85.6	3.41	3.31	3.45
+85.7	3.31	3.13	3.31
+85.8	3.15	3.41	3.49
+85.9	3.0	3.37	3.56
+86.0	3.13	3.22	3.26
+86.1	3.36	3.37	3.38
+86.2	3.6	3.32	3.35
+86.3	3.25	3.28	3.16
+86.4	2.93	3.28	3.31
+86.5	3.36	3.17	3.22
+86.6	3.36	3.43	2.96
+86.7	3.24	3.43	3.33
+86.8	3.27	3.33	3.43
+86.9	3.42	3.34	3.28
+87.0	3.57	3.2	2.91
+87.1	3.51	3.39	3.22
+87.2	3.23	3.3	3.22
+87.3	3.26	3.29	3.15
+87.4	3.13	3.35	3.24
+87.5	2.84	3.29	3.4
+87.6	2.98	3.29	3.26
+87.7	3.16	3.19	3.11
+87.8	3.06	3.34	2.92
+87.9	3.32	3.43	3.14
+88.0	3.33	3.43	3.43
+88.1	3.32	3.27	3.44
+88.2	3.3	3.51	3.49
+88.3	3.36	3.34	3.45
+88.4	3.12	3.45	3.55
+88.5	3.15	3.2	3.4
+88.6	3.26	3.33	3.19
+88.7	3.05	3.36	3.27
+88.8	3.02	3.07	3.38
+88.9	3.04	3.36	3.44
+89.0	3.17	3.31	3.56
+89.1	3.33	3.39	3.6
+89.2	3.14	3.43	3.43
+89.3	3.12	3.43	3.35
+89.4	3.11	3.37	3.52
+89.5	3.13	3.35	3.27
+89.6	2.97	3.37	3.35
+89.7	3.07	3.2	3.35
+89.8	2.83	3.35	3.6
+89.9	2.63	3.2	3.45
+90.0	2.74	3.12	3.22
+90.1	3.25	3.12	3.17
+90.2	3.04	3.24	3.14
+90.3	2.99	3.27	3.11
+90.4	3.25	3.36	3.5
+90.5	3.11	3.24	3.25
+90.6	2.99	3.25	3.54
+90.7	2.97	3.26	3.29
+90.8	3.13	3.19	3.25
+90.9	2.88	3.26	3.63
+91.0	2.91	3.02	3.4
+91.1	3.08	3.36	3.3
+91.2	3.03	3.4	3.37
+91.3	3.22	3.32	3.4
+91.4	3.34	3.14	3.49
+91.5	3.5	3.29	3.59
+91.6	3.57	3.0	3.18
+91.7	3.55	2.95	2.75
+91.8	3.65	3.14	2.8
+91.9	3.47	3.3	2.94
+92.0	3.64	3.13	2.88
+92.1	3.53	3.22	2.88
+92.2	3.53	3.22	2.82
+92.3	3.41	2.89	3.18
+92.4	3.5	2.94	2.96
+92.5	3.42	3.23	2.91
+92.6	3.43	3.13	2.98
+92.7	3.42	3.15	3.02
+92.8	3.38	3.29	3.21
+92.9	3.27	3.3	3.16
+93.0	3.37	2.91	2.95
+93.1	3.46	3.13	2.87
+93.2	3.34	3.33	2.87
+93.3	3.41	3.34	2.92
+93.4	3.41	3.26	2.67
+93.5	3.27	3.32	2.79
+93.6	3.34	3.43	2.87
+93.7	3.39	3.52	3.0
+93.8	3.39	3.44	3.04
+93.9	3.43	3.19	3.08
+94.0	3.32	3.21	2.95
+94.1	3.26	2.81	2.98
+94.2	3.24	3.04	2.95
+94.3	3.5	3.19	2.98
+94.4	3.3	3.27	2.86
+94.5	3.26	3.08	2.83
+94.6	3.28	2.97	2.66
+94.7	3.07	3.19	2.98
+94.8	3.18	3.18	3.14
+94.9	3.21	3.35	3.08
+95.0	3.38	3.28	3.25
+95.1	3.57	3.19	2.97
+95.2	3.58	3.5	2.89
+95.3	3.36	3.34	2.89
+95.4	3.19	3.21	3.1
+95.5	3.25	3.02	3.01
+95.6	3.19	3.07	3.23
+95.7	3.23	3.23	3.14
+95.8	3.24	3.21	3.01
+95.9	3.38	3.18	2.96
+96.0	3.49	3.15	2.99
+96.1	3.24	2.94	2.96
+96.2	3.32	3.23	3.06
+96.3	3.11	3.13	3.21
+96.4	3.14	3.05	2.99
+96.5	3.29	3.22	3.12
+96.6	3.34	3.2	3.05
+96.7	3.41	3.07	2.95
+96.8	3.3	3.2	3.12
+96.9	3.21	3.13	2.86
+97.0	3.32	2.9	2.78
+97.1	3.38	3.22	2.73
+97.2	3.22	3.26	2.94
+97.3	3.0	3.19	2.73
+97.4	3.04	3.04	2.89
+97.5	3.06	3.13	3.0
+97.6	3.21	3.02	2.97
+97.7	3.15	3.21	3.03
+97.8	3.39	3.12	2.81
+97.9	3.28	2.94	2.82
+98.0	2.96	3.16	2.89
+98.1	3.13	3.07	2.9
+98.2	3.07	3.02	3.04
+98.3	3.09	3.03	3.03
+98.4	3.23	2.92	3.03
+98.5	3.35	2.9	3.01
+98.6	3.17	2.77	3.26
+98.7	3.2	2.87	3.11
+98.8	3.16	2.86	3.06
+98.9	3.42	3.08	3.15
+99.0	3.32	3.05	2.94
+99.1	3.61	2.87	2.91
+99.2	3.05	2.96	2.89
+99.3	3.23	2.89	2.94
+99.4	3.15	2.99	3.04
+99.5	3.26	2.86	2.81
+99.6	3.32	2.95	3.05
+99.7	3.25	3.08	3.32
+99.8	3.16	3.03	3.44
+99.9	3.18	3.08	3.23
+100.0	3.32	3.06	2.97

atlas_1000_analysis/1ikt_A/1ikt_A_RMSF.tsv

@@ -0,0 +1,121 @@
+seq	RMSF_R1	RMSF_R2	RMSF_R3
+M	8.36	6.46	7.18
+E	6.9	5.08	4.9
+G	5.41	4.4	2.93
+G	4.34	3.41	2.2
+K	2.49	1.9	1.42
+L	1.31	0.72	0.75
+Q	1.06	0.76	0.82
+S	0.91	0.7	0.94
+T	0.89	0.78	0.99
+F	1.0	0.84	1.03
+V	0.85	0.67	1.1
+F	0.68	0.61	1.0
+E	0.89	0.74	0.84
+E	0.84	0.68	0.94
+I	0.81	0.61	0.9
+G	0.93	0.69	0.8
+R	1.01	0.74	0.92
+R	1.02	0.71	0.96
+L	1.18	0.77	0.76
+K	1.37	1.06	1.03
+D	1.35	1.24	1.28
+I	1.3	1.26	1.08
+G	1.45	1.47	1.05
+P	1.13	1.68	0.82
+E	1.15	2.07	0.86
+V	1.01	2.98	0.72
+V	0.89	3.24	0.57
+K	0.95	2.24	0.7
+K	0.94	1.77	0.76
+V	0.75	0.82	0.61
+N	0.7	0.77	0.59
+A	0.6	0.52	0.5
+V	0.53	0.43	0.46
+F	0.56	0.4	0.45
+E	0.45	0.41	0.42
+W	0.49	0.44	0.45
+H	0.54	0.46	0.43
+I	0.67	0.51	0.46
+T	0.86	0.92	0.56
+K	1.62	1.14	0.77
+G	2.31	1.47	1.3
+G	2.21	1.4	1.23
+N	1.64	0.98	0.94
+I	1.03	0.67	0.74
+G	1.08	0.78	0.79
+A	0.82	0.63	0.66
+K	0.65	0.53	0.53
+W	0.59	0.48	0.52
+T	0.52	0.42	0.54
+I	0.51	0.4	0.54
+D	0.54	0.45	0.5
+L	0.58	0.52	0.47
+K	0.74	0.61	0.58
+S	1.18	0.88	0.92
+G	1.2	1.15	0.98
+S	1.07	0.96	0.83
+G	0.91	0.67	0.65
+K	0.72	0.59	0.7
+V	0.64	0.52	0.69
+Y	0.67	0.55	0.76
+Q	0.73	0.62	0.89
+G	0.75	0.63	1.27
+P	0.84	0.69	1.18
+A	0.73	0.61	0.92
+K	0.96	0.84	1.28
+G	1.24	1.21	1.45
+A	1.28	1.3	1.31
+A	0.74	0.77	0.72
+D	0.58	0.62	0.51
+T	0.52	0.59	0.45
+T	0.48	0.46	0.42
+I	0.5	0.43	0.46
+I	0.52	0.47	0.44
+L	0.64	0.54	0.48
+S	0.79	0.58	0.48
+D	0.88	0.61	0.53
+E	1.14	0.76	0.79
+D	0.99	0.66	0.72
+F	0.82	0.6	0.63
+M	0.99	0.71	0.8
+E	1.03	0.75	0.94
+V	0.9	0.72	1.0
+V	1.04	0.85	1.18
+L	1.25	0.98	1.27
+G	1.29	0.98	1.48
+K	1.3	0.96	1.41
+L	1.07	0.84	1.16
+D	1.04	0.87	1.14
+P	0.83	0.84	0.92
+Q	0.91	0.9	0.96
+K	1.07	0.88	1.0
+A	0.91	0.76	0.73
+F	0.77	0.77	0.64
+F	1.12	0.96	0.91
+S	1.22	0.94	1.06
+G	1.13	0.86	0.95
+R	1.07	0.7	0.86
+L	0.92	0.6	0.78
+K	0.7	0.65	0.63
+A	0.79	0.65	0.64
+R	0.8	0.77	0.55
+G	0.77	1.31	0.59
+N	0.92	1.15	0.65
+I	0.96	1.1	0.62
+M	0.96	1.1	0.61
+L	0.74	1.06	0.5
+S	0.77	0.98	0.5
+Q	0.91	1.01	0.56
+K	0.84	1.03	0.6
+L	0.66	0.84	0.53
+Q	0.85	0.76	0.58
+M	0.87	0.86	0.78
+I	1.22	0.96	1.17
+L	1.45	0.86	1.25
+K	1.33	0.87	1.14
+D	1.64	1.06	1.69
+Y	2.3	1.06	2.49
+A	2.64	1.08	2.56
+K	3.39	1.46	3.57
+L	5.79	1.55	4.56

atlas_1000_analysis/1ikt_A/1ikt_A_contacts.tsv

@@ -0,0 +1,121 @@
+seq	nb_chain	nb_ligand	nb_ion	nb_nucleotide	name_chain	name_ligand	name_ion	name_nucleotide
+M	-	-	-	-	-	-	-	-
+E	-	-	-	-	-	-	-	-
+G	-	-	-	-	-	-	-	-
+G	-	-	-	-	-	-	-	-
+K	-	-	-	-	-	-	-	-
+L	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+V	0	0	1	0	-	-	A:SO4,122	-
+F	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+E	0	0	1	0	-	-	A:SO4,122	-
+I	0	0	1	0	-	-	A:SO4,122	-
+G	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+W	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
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+K	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+W	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
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+E	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+V	0	1	0	0	-	A:OXN,123	-	-
+V	0	1	1	0	-	A:OXN,123	A:SO4,122	-
+L	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+P	0	1	0	0	-	A:OXN,123	-	-
+Q	0	1	0	0	-	A:OXN,123	-	-
+K	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+F	0	1	0	0	-	A:OXN,123	-	-
+F	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+R	0	0	1	0	-	-	A:SO4,121	-
+G	0	0	1	0	-	-	A:SO4,121	-
+N	0	0	0	0	-	-	-	-
+I	0	1	0	0	-	A:OXN,123	-	-
+M	0	1	0	0	-	A:OXN,123	-	-
+L	0	0	0	0	-	-	-	-
+S	0	1	0	0	-	A:OXN,123	-	-
+Q	0	1	0	0	-	A:OXN,123	-	-
+K	0	0	0	0	-	-	-	-
+L	0	1	0	0	-	A:OXN,123	-	-
+Q	0	1	0	0	-	A:OXN,123	-	-
+M	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+L	0	1	0	0	-	A:OXN,123	-	-
+K	0	1	0	0	-	A:OXN,123	-	-
+D	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+A	0	0	1	0	-	-	A:SO4,122	-
+K	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-

atlas_1000_analysis/1ikt_A/1ikt_A_corresp.tsv

@@ -0,0 +1,121 @@
+UnP_seq	PDB_seq	PDB_num	CIF_num	UnP_num	gap	hetatm	corrected	no_fullbb	no_ca
+M	-	1	1	1	1	0	0	0	0
+E	-	2	2	2	1	0	0	0	0
+G	-	3	3	3	1	0	0	0	0
+G	-	4	4	4	1	0	0	0	0
+K	-	5	5	5	1	0	0	0	0
+L	L	6	6	6	0	0	0	0	0
+Q	Q	7	7	7	0	0	0	0	0
+S	S	8	8	8	0	0	0	0	0
+T	T	9	9	9	0	0	0	0	0
+F	F	10	10	10	0	0	0	0	0
+V	V	11	11	11	0	0	0	0	0
+F	F	12	12	12	0	0	0	0	0
+E	E	13	13	13	0	0	0	0	0
+E	E	14	14	14	0	0	0	0	0
+I	I	15	15	15	0	0	0	0	0
+G	G	16	16	16	0	0	0	0	0
+R	R	17	17	17	0	0	0	0	0
+R	R	18	18	18	0	0	0	0	0
+L	L	19	19	19	0	0	0	0	0
+K	K	20	20	20	0	0	0	0	0
+D	D	21	21	21	0	0	0	0	0
+I	I	22	22	22	0	0	0	0	0
+G	G	23	23	23	0	0	0	0	0
+P	P	24	24	24	0	0	0	0	0
+E	E	25	25	25	0	0	0	0	0
+V	V	26	26	26	0	0	0	0	0
+V	V	27	27	27	0	0	0	0	0
+K	K	28	28	28	0	0	0	0	0
+K	K	29	29	29	0	0	0	0	0
+V	V	30	30	30	0	0	0	0	0
+N	N	31	31	31	0	0	0	0	0
+A	A	32	32	32	0	0	0	0	0
+V	V	33	33	33	0	0	0	0	0
+F	F	34	34	34	0	0	0	0	0
+E	E	35	35	35	0	0	0	0	0
+W	W	36	36	36	0	0	0	0	0
+H	H	37	37	37	0	0	0	0	0
+I	I	38	38	38	0	0	0	0	0
+T	T	39	39	39	0	0	0	0	0
+K	K	40	40	40	0	0	0	0	0
+G	G	41	41	41	0	0	0	0	0
+G	G	42	42	42	0	0	0	0	0
+N	N	43	43	43	0	0	0	0	0
+I	I	44	44	44	0	0	0	0	0
+G	G	45	45	45	0	0	0	0	0
+A	A	46	46	46	0	0	0	0	0
+K	K	47	47	47	0	0	0	0	0
+W	W	48	48	48	0	0	0	0	0
+T	T	49	49	49	0	0	0	0	0
+I	I	50	50	50	0	0	0	0	0
+D	D	51	51	51	0	0	0	0	0
+L	L	52	52	52	0	0	0	0	0
+K	K	53	53	53	0	0	0	0	0
+S	S	54	54	54	0	0	0	0	0
+G	G	55	55	55	0	0	0	0	0
+S	S	56	56	56	0	0	0	0	0
+G	G	57	57	57	0	0	0	0	0
+K	K	58	58	58	0	0	0	0	0
+V	V	59	59	59	0	0	0	0	0
+Y	Y	60	60	60	0	0	0	0	0
+Q	Q	61	61	61	0	0	0	0	0
+G	G	62	62	62	0	0	0	0	0
+P	P	63	63	63	0	0	0	0	0
+A	A	64	64	64	0	0	0	0	0
+K	K	65	65	65	0	0	0	0	0
+G	G	66	66	66	0	0	0	0	0
+A	A	67	67	67	0	0	0	0	0
+A	A	68	68	68	0	0	0	0	0
+D	D	69	69	69	0	0	0	0	0
+T	T	70	70	70	0	0	0	0	0
+T	T	71	71	71	0	0	0	0	0
+I	I	72	72	72	0	0	0	0	0
+I	I	73	73	73	0	0	0	0	0
+L	L	74	74	74	0	0	0	0	0
+S	S	75	75	75	0	0	0	0	0
+D	D	76	76	76	0	0	0	0	0
+E	E	77	77	77	0	0	0	0	0
+D	D	78	78	78	0	0	0	0	0
+F	F	79	79	79	0	0	0	0	0
+M	M	80	80	80	0	0	0	0	0
+E	E	81	81	81	0	0	0	0	0
+V	V	82	82	82	0	0	0	0	0
+V	V	83	83	83	0	0	0	0	0
+L	L	84	84	84	0	0	0	0	0
+G	G	85	85	85	0	0	0	0	0
+K	K	86	86	86	0	0	0	0	0
+L	L	87	87	87	0	0	0	0	0
+D	D	88	88	88	0	0	0	0	0
+P	P	89	89	89	0	0	0	0	0
+Q	Q	90	90	90	0	0	0	0	0
+K	K	91	91	91	0	0	0	0	0
+A	A	92	92	92	0	0	0	0	0
+F	F	93	93	93	0	0	0	0	0
+F	F	94	94	94	0	0	0	0	0
+S	S	95	95	95	0	0	0	0	0
+G	G	96	96	96	0	0	0	0	0
+R	R	97	97	97	0	0	0	0	0
+L	L	98	98	98	0	0	0	0	0
+K	K	99	99	99	0	0	0	0	0
+A	A	100	100	100	0	0	0	0	0
+R	R	101	101	101	0	0	0	0	0
+G	G	102	102	102	0	0	0	0	0
+N	N	103	103	103	0	0	0	0	0
+I	I	104	104	104	0	0	0	0	0
+M	M	105	105	105	0	0	0	0	0
+L	L	106	106	106	0	0	0	0	0
+S	S	107	107	107	0	0	0	0	0
+Q	Q	108	108	108	0	0	0	0	0
+K	K	109	109	109	0	0	0	0	0
+L	L	110	110	110	0	0	0	0	0
+Q	Q	111	111	111	0	0	0	0	0
+M	M	112	112	112	0	0	0	0	0
+I	I	113	113	113	0	0	0	0	0
+L	L	114	114	114	0	0	0	0	0
+K	K	115	115	115	0	0	0	0	0
+D	D	116	116	116	0	0	0	0	0
+Y	Y	117	117	117	0	0	0	0	0
+A	A	118	118	118	0	0	0	0	0
+K	K	119	119	119	0	0	0	0	0
+L	L	120	120	120	0	0	0	0	0

atlas_1000_analysis/1ikt_A/1ikt_A_gyrate.tsv

@@ -0,0 +1,1001 @@
+time	gyr_R1	gyr_R2	gyr_R3
+0.1	14.0	14.05	14.13
+0.2	14.1	14.0	14.03
+0.3	13.93	14.0	14.12
+0.4	13.93	13.88	13.85
+0.5	13.94	13.99	14.13
+0.6	14.02	13.79	14.01
+0.7	14.03	13.79	14.0
+0.8	13.87	13.73	14.09
+0.9	13.88	13.86	13.94
+1.0	13.85	13.57	13.93
+1.1	13.91	13.57	13.91
+1.2	13.86	13.79	13.87
+1.3	13.89	13.88	14.02
+1.4	14.08	13.8	14.04
+1.5	14.08	13.77	13.92
+1.6	13.93	13.8	13.95
+1.7	13.79	13.81	13.92
+1.8	13.98	13.76	14.02
+1.9	13.96	13.78	14.03
+2.0	13.97	13.88	14.01
+2.1	13.9	13.83	14.03
+2.2	13.92	13.57	14.01
+2.3	13.94	13.73	13.93
+2.4	13.89	13.64	14.03
+2.5	13.95	13.66	14.01
+2.6	13.92	13.54	14.02
+2.7	13.85	13.72	14.02
+2.8	13.75	13.77	13.87
+2.9	13.95	13.66	13.97
+3.0	13.96	13.81	14.01
+3.1	13.87	13.69	13.94
+3.2	13.86	13.64	13.97
+3.3	13.86	13.59	13.97
+3.4	13.99	13.59	13.84
+3.5	13.89	13.69	13.96
+3.6	13.95	13.62	14.1
+3.7	13.84	13.72	13.98
+3.8	13.72	13.63	13.96
+3.9	13.79	13.73	13.92
+4.0	13.83	13.65	13.96
+4.1	13.77	13.78	13.84
+4.2	13.73	13.67	13.7
+4.3	13.73	13.61	13.75
+4.4	13.95	13.68	13.68
+4.5	13.91	13.66	13.69
+4.6	13.83	13.72	13.71
+4.7	13.82	13.74	13.59
+4.8	13.87	13.75	13.79
+4.9	13.88	13.68	13.71
+5.0	13.83	13.68	13.66
+5.1	13.9	13.61	13.64
+5.2	13.89	13.68	13.91
+5.3	13.7	13.79	13.91
+5.4	13.82	13.7	13.88
+5.5	13.76	13.73	13.81
+5.6	13.85	13.75	13.93
+5.7	13.77	13.79	13.9
+5.8	13.72	13.52	13.89
+5.9	13.63	13.51	13.9
+6.0	13.56	13.66	13.98
+6.1	13.72	13.76	13.96
+6.2	13.71	13.67	13.89
+6.3	13.88	13.75	13.81
+6.4	13.73	13.67	13.92
+6.5	13.97	13.67	13.75
+6.6	13.82	13.54	13.77
+6.7	13.81	13.62	13.68
+6.8	13.62	13.54	13.71
+6.9	13.65	13.58	13.98
+7.0	13.62	13.52	13.85
+7.1	13.76	13.58	13.73
+7.2	13.54	13.59	13.74
+7.3	13.54	13.64	13.74
+7.4	13.62	13.56	13.69
+7.5	13.46	13.61	13.54
+7.6	13.57	13.65	13.59
+7.7	13.54	13.69	13.59
+7.8	13.63	13.75	13.7
+7.9	13.69	13.6	13.72
+8.0	13.85	13.56	13.71
+8.1	13.64	13.53	13.83
+8.2	13.65	13.58	13.8
+8.3	13.74	13.55	13.65
+8.4	13.77	13.5	13.71
+8.5	13.56	13.62	13.62
+8.6	13.6	13.62	13.81
+8.7	13.77	13.44	13.71
+8.8	13.63	13.48	13.67
+8.9	13.58	13.61	13.67
+9.0	13.59	13.66	13.62
+9.1	13.6	13.63	13.62
+9.2	13.62	13.73	13.51
+9.3	13.67	13.72	13.7
+9.4	13.81	13.59	13.72
+9.5	13.89	13.55	13.73
+9.6	13.75	13.52	13.69
+9.7	13.78	13.54	13.73
+9.8	13.9	13.56	13.71
+9.9	13.7	13.49	13.73
+10.0	13.77	13.66	13.69
+10.1	13.56	13.59	13.67
+10.2	13.63	13.61	13.69
+10.3	13.7	13.61	13.67
+10.4	13.6	13.72	13.58
+10.5	13.76	13.65	13.62
+10.6	13.77	13.57	13.63
+10.7	13.6	13.67	13.58
+10.8	13.59	13.5	13.59
+10.9	13.67	13.63	13.66
+11.0	13.61	13.55	13.57
+11.1	13.7	13.49	13.56
+11.2	13.65	13.53	13.55
+11.3	13.66	13.59	13.56
+11.4	13.6	13.68	13.54
+11.5	13.65	13.61	13.57
+11.6	13.6	13.7	13.46
+11.7	13.67	13.6	13.6
+11.8	13.68	13.56	13.48
+11.9	13.57	13.52	13.64
+12.0	13.64	13.58	13.59
+12.1	13.68	13.53	13.55
+12.2	13.67	13.58	13.61
+12.3	13.73	13.75	13.57
+12.4	13.79	13.62	13.54
+12.5	13.64	13.72	13.5
+12.6	13.63	13.48	13.59
+12.7	13.68	13.58	13.73
+12.8	13.61	13.52	13.67
+12.9	13.7	13.75	13.59
+13.0	13.55	13.74	13.63
+13.1	13.63	13.56	13.74
+13.2	13.65	13.57	13.78
+13.3	13.54	13.56	13.59
+13.4	13.66	13.71	13.7
+13.5	13.75	13.63	13.58
+13.6	13.67	13.53	13.53
+13.7	13.49	13.61	13.59
+13.8	13.55	13.52	13.66
+13.9	13.62	13.47	13.7
+14.0	13.54	13.5	13.55
+14.1	13.54	13.54	13.63
+14.2	13.49	13.6	13.63
+14.3	13.71	13.68	13.53
+14.4	13.7	13.63	13.48
+14.5	13.66	13.45	13.56
+14.6	13.73	13.63	13.66
+14.7	13.61	13.52	13.58
+14.8	13.63	13.71	13.65
+14.9	13.59	13.58	13.59
+15.0	13.58	13.67	13.74
+15.1	13.69	13.75	13.64
+15.2	13.65	13.68	13.65
+15.3	13.62	13.78	13.68
+15.4	13.59	13.77	13.66
+15.5	13.51	13.65	13.66
+15.6	13.5	13.47	13.61
+15.7	13.48	13.64	13.57
+15.8	13.71	13.57	13.6
+15.9	13.74	13.52	13.58
+16.0	13.61	13.61	13.63
+16.1	13.61	13.52	13.6
+16.2	13.64	13.46	13.55
+16.3	13.58	13.53	13.52
+16.4	13.57	13.58	13.58
+16.5	13.55	13.65	13.62
+16.6	13.51	13.6	13.5
+16.7	13.64	13.64	13.56
+16.8	13.6	13.66	13.65
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+62.4	13.58	13.41	13.41
+62.5	13.59	13.46	13.39
+62.6	13.61	13.52	13.4
+62.7	13.55	13.51	13.53
+62.8	13.53	13.55	13.58
+62.9	13.68	13.53	13.49
+63.0	13.59	13.55	13.47
+63.1	13.66	13.43	13.51
+63.2	13.74	13.47	13.51
+63.3	13.76	13.54	13.55
+63.4	13.75	13.51	13.51
+63.5	13.69	13.51	13.54
+63.6	13.79	13.51	13.49
+63.7	13.64	13.61	13.57
+63.8	13.66	13.52	13.53
+63.9	13.71	13.49	13.54
+64.0	13.66	13.54	13.45
+64.1	13.63	13.59	13.55
+64.2	13.75	13.53	13.45
+64.3	13.71	13.52	13.5
+64.4	13.7	13.57	13.45
+64.5	13.75	13.53	13.52
+64.6	13.62	13.5	13.51
+64.7	13.76	13.58	13.5
+64.8	13.73	13.56	13.45
+64.9	13.8	13.58	13.39
+65.0	13.87	13.51	13.42
+65.1	13.8	13.48	13.47
+65.2	13.9	13.49	13.46
+65.3	13.73	13.43	13.53
+65.4	13.88	13.54	13.61
+65.5	13.82	13.45	13.51
+65.6	13.78	13.48	13.52
+65.7	13.82	13.46	13.54
+65.8	13.8	13.49	13.63
+65.9	13.82	13.51	13.62
+66.0	13.75	13.46	13.53
+66.1	13.69	13.41	13.52
+66.2	13.72	13.5	13.52
+66.3	13.65	13.41	13.53
+66.4	13.69	13.48	13.48
+66.5	13.65	13.53	13.51
+66.6	13.65	13.53	13.52
+66.7	13.63	13.5	13.53
+66.8	13.69	13.48	13.54
+66.9	13.59	13.45	13.47
+67.0	13.59	13.42	13.54
+67.1	13.77	13.48	13.54
+67.2	13.87	13.46	13.55
+67.3	13.79	13.37	13.63
+67.4	13.88	13.41	13.6
+67.5	13.86	13.47	13.69
+67.6	13.96	13.41	13.68
+67.7	13.95	13.43	13.65
+67.8	13.98	13.45	13.53
+67.9	14.0	13.55	13.58
+68.0	13.89	13.55	13.52
+68.1	13.84	13.51	13.41
+68.2	13.92	13.49	13.53
+68.3	14.02	13.42	13.56
+68.4	14.0	13.49	13.56
+68.5	13.98	13.55	13.61
+68.6	14.01	13.47	13.5
+68.7	13.83	13.57	13.62
+68.8	13.85	13.63	13.52
+68.9	13.84	13.52	13.5
+69.0	13.75	13.48	13.55
+69.1	13.88	13.46	13.5
+69.2	13.75	13.43	13.55
+69.3	13.85	13.42	13.57
+69.4	13.89	13.61	13.57
+69.5	13.9	13.37	13.58
+69.6	13.89	13.45	13.58
+69.7	13.88	13.36	13.57
+69.8	14.03	13.42	13.51
+69.9	13.87	13.44	13.54
+70.0	13.78	13.52	13.58
+70.1	13.83	13.38	13.63
+70.2	13.75	13.48	13.63
+70.3	13.84	13.54	13.54
+70.4	13.87	13.57	13.54
+70.5	13.95	13.51	13.61
+70.6	13.76	13.43	13.49
+70.7	13.83	13.45	13.49
+70.8	13.9	13.46	13.42
+70.9	13.83	13.51	13.5
+71.0	13.84	13.55	13.48
+71.1	13.88	13.6	13.52
+71.2	13.77	13.7	13.52
+71.3	13.7	13.49	13.52
+71.4	13.94	13.48	13.44
+71.5	13.82	13.6	13.38
+71.6	13.81	13.49	13.48
+71.7	13.95	13.55	13.54
+71.8	13.86	13.63	13.59
+71.9	13.9	13.68	13.45
+72.0	13.68	13.65	13.59
+72.1	13.79	13.48	13.5
+72.2	13.94	13.48	13.5
+72.3	13.72	13.51	13.54
+72.4	13.68	13.46	13.57
+72.5	13.72	13.47	13.56
+72.6	13.67	13.44	13.54
+72.7	13.89	13.49	13.54
+72.8	13.74	13.58	13.58
+72.9	13.82	13.51	13.48
+73.0	13.72	13.55	13.42
+73.1	13.71	13.48	13.52
+73.2	13.74	13.55	13.52
+73.3	13.72	13.47	13.51
+73.4	13.73	13.47	13.61
+73.5	13.7	13.48	13.57
+73.6	13.7	13.55	13.72
+73.7	13.76	13.56	13.61
+73.8	13.9	13.49	13.51
+73.9	13.72	13.49	13.57
+74.0	13.82	13.52	13.53
+74.1	13.77	13.48	13.54
+74.2	13.81	13.58	13.51
+74.3	13.8	13.51	13.4
+74.4	13.74	13.52	13.55
+74.5	13.72	13.44	13.56
+74.6	13.84	13.43	13.54
+74.7	13.92	13.52	13.53
+74.8	13.92	13.51	13.54
+74.9	13.91	13.66	13.55
+75.0	13.91	13.54	13.55
+75.1	13.88	13.5	13.69
+75.2	13.84	13.42	13.53
+75.3	13.71	13.6	13.52
+75.4	13.72	13.54	13.5
+75.5	13.78	13.46	13.53
+75.6	13.6	13.42	13.56
+75.7	13.74	13.48	13.47
+75.8	13.72	13.44	13.48
+75.9	13.7	13.43	13.53
+76.0	13.75	13.43	13.46
+76.1	13.71	13.55	13.48
+76.2	13.81	13.47	13.45
+76.3	13.78	13.54	13.5
+76.4	13.75	13.5	13.42
+76.5	13.91	13.59	13.44
+76.6	13.76	13.52	13.54
+76.7	13.92	13.55	13.56
+76.8	13.92	13.47	13.46
+76.9	13.98	13.51	13.4
+77.0	13.88	13.52	13.43
+77.1	13.93	13.61	13.39
+77.2	13.98	13.61	13.48
+77.3	13.79	13.61	13.44
+77.4	13.82	13.55	13.5
+77.5	13.84	13.67	13.47
+77.6	13.78	13.62	13.47
+77.7	13.71	13.64	13.42
+77.8	13.69	13.58	13.48
+77.9	13.72	13.68	13.42
+78.0	13.8	13.78	13.41
+78.1	13.69	13.73	13.42
+78.2	13.7	13.65	13.46
+78.3	13.61	13.65	13.44
+78.4	13.51	13.7	13.4
+78.5	13.57	13.68	13.46
+78.6	13.58	13.61	13.54
+78.7	13.54	13.54	13.42
+78.8	13.51	13.55	13.42
+78.9	13.43	13.52	13.47
+79.0	13.54	13.55	13.4
+79.1	13.48	13.53	13.53
+79.2	13.54	13.49	13.45
+79.3	13.54	13.49	13.5
+79.4	13.54	13.46	13.5
+79.5	13.56	13.53	13.45
+79.6	13.55	13.45	13.53
+79.7	13.52	13.51	13.6
+79.8	13.41	13.52	13.52
+79.9	13.41	13.56	13.6
+80.0	13.46	13.51	13.55
+80.1	13.39	13.54	13.58
+80.2	13.37	13.54	13.57
+80.3	13.31	13.53	13.51
+80.4	13.38	13.5	13.58
+80.5	13.33	13.47	13.54
+80.6	13.33	13.61	13.4
+80.7	13.35	13.52	13.45
+80.8	13.39	13.47	13.55
+80.9	13.33	13.66	13.52
+81.0	13.38	13.54	13.51
+81.1	13.47	13.48	13.58
+81.2	13.25	13.52	13.45
+81.3	13.33	13.58	13.53
+81.4	13.32	13.47	13.5
+81.5	13.41	13.6	13.55
+81.6	13.36	13.64	13.64
+81.7	13.36	13.6	13.7
+81.8	13.36	13.7	13.66
+81.9	13.38	13.64	13.7
+82.0	13.41	13.7	13.67
+82.1	13.39	13.66	13.54
+82.2	13.42	13.44	13.59
+82.3	13.43	13.63	13.57
+82.4	13.37	13.53	13.63
+82.5	13.33	13.51	13.54
+82.6	13.36	13.52	13.53
+82.7	13.42	13.51	13.5
+82.8	13.38	13.53	13.61
+82.9	13.39	13.57	13.59
+83.0	13.42	13.58	13.55
+83.1	13.45	13.59	13.52
+83.2	13.42	13.55	13.57
+83.3	13.47	13.52	13.58
+83.4	13.4	13.48	13.49
+83.5	13.38	13.51	13.49
+83.6	13.39	13.57	13.58
+83.7	13.35	13.51	13.63
+83.8	13.37	13.63	13.46
+83.9	13.42	13.59	13.53
+84.0	13.38	13.44	13.59
+84.1	13.4	13.62	13.51
+84.2	13.44	13.53	13.58
+84.3	13.44	13.54	13.61
+84.4	13.4	13.56	13.55
+84.5	13.36	13.53	13.5
+84.6	13.46	13.49	13.5
+84.7	13.38	13.42	13.44
+84.8	13.38	13.51	13.55
+84.9	13.36	13.47	13.5
+85.0	13.39	13.57	13.57
+85.1	13.46	13.52	13.64
+85.2	13.35	13.6	13.65
+85.3	13.37	13.58	13.68
+85.4	13.54	13.52	13.69
+85.5	13.4	13.54	13.6
+85.6	13.5	13.56	13.66
+85.7	13.48	13.57	13.65
+85.8	13.38	13.57	13.6
+85.9	13.42	13.49	13.53
+86.0	13.38	13.47	13.57
+86.1	13.43	13.47	13.53
+86.2	13.5	13.53	13.53
+86.3	13.56	13.48	13.58
+86.4	13.45	13.54	13.63
+86.5	13.36	13.53	13.83
+86.6	13.41	13.56	13.71
+86.7	13.45	13.54	13.71
+86.8	13.45	13.47	13.85
+86.9	13.36	13.43	13.64
+87.0	13.44	13.49	13.62
+87.1	13.46	13.55	13.74
+87.2	13.55	13.43	13.74
+87.3	13.5	13.42	13.67
+87.4	13.53	13.52	13.59
+87.5	13.52	13.52	13.65
+87.6	13.43	13.48	13.71
+87.7	13.45	13.62	13.75
+87.8	13.46	13.49	13.7
+87.9	13.46	13.56	13.77
+88.0	13.41	13.45	13.66
+88.1	13.36	13.51	13.7
+88.2	13.34	13.44	13.65
+88.3	13.26	13.47	13.61
+88.4	13.44	13.55	13.69
+88.5	13.36	13.5	13.71
+88.6	13.4	13.57	13.59
+88.7	13.41	13.42	13.59
+88.8	13.52	13.5	13.65
+88.9	13.42	13.57	13.66
+89.0	13.38	13.49	13.66
+89.1	13.49	13.48	13.63
+89.2	13.38	13.51	13.62
+89.3	13.41	13.57	13.71
+89.4	13.42	13.42	13.69
+89.5	13.45	13.59	13.7
+89.6	13.53	13.55	13.69
+89.7	13.48	13.57	13.62
+89.8	13.52	13.49	13.72
+89.9	13.64	13.5	13.65
+90.0	13.54	13.61	13.59
+90.1	13.52	13.54	13.61
+90.2	13.47	13.62	13.63
+90.3	13.49	13.51	13.62
+90.4	13.42	13.52	13.67
+90.5	13.44	13.68	13.66
+90.6	13.47	13.58	13.68
+90.7	13.51	13.51	13.65
+90.8	13.59	13.51	13.67
+90.9	13.47	13.54	13.68
+91.0	13.53	13.62	13.63
+91.1	13.51	13.55	13.53
+91.2	13.42	13.48	13.58
+91.3	13.47	13.52	13.52
+91.4	13.46	13.56	13.65
+91.5	13.48	13.59	13.6
+91.6	13.48	13.53	13.51
+91.7	13.53	13.48	13.54
+91.8	13.51	13.51	13.54
+91.9	13.6	13.57	13.63
+92.0	13.39	13.55	13.58
+92.1	13.38	13.53	13.58
+92.2	13.47	13.49	13.6
+92.3	13.45	13.52	13.54
+92.4	13.33	13.48	13.57
+92.5	13.4	13.48	13.56
+92.6	13.39	13.51	13.58
+92.7	13.44	13.5	13.54
+92.8	13.47	13.57	13.61
+92.9	13.48	13.48	13.5
+93.0	13.36	13.55	13.58
+93.1	13.36	13.44	13.56
+93.2	13.38	13.43	13.5
+93.3	13.4	13.43	13.48
+93.4	13.37	13.47	13.45
+93.5	13.4	13.49	13.46
+93.6	13.4	13.55	13.4
+93.7	13.39	13.56	13.43
+93.8	13.35	13.47	13.51
+93.9	13.42	13.55	13.49
+94.0	13.44	13.52	13.47
+94.1	13.45	13.63	13.52
+94.2	13.42	13.62	13.53
+94.3	13.48	13.61	13.53
+94.4	13.4	13.58	13.41
+94.5	13.46	13.6	13.51
+94.6	13.58	13.57	13.59
+94.7	13.5	13.52	13.44
+94.8	13.48	13.55	13.5
+94.9	13.5	13.57	13.43
+95.0	13.46	13.6	13.44
+95.1	13.42	13.56	13.43
+95.2	13.4	13.62	13.4
+95.3	13.45	13.47	13.5
+95.4	13.38	13.61	13.47
+95.5	13.46	13.52	13.48
+95.6	13.44	13.47	13.46
+95.7	13.38	13.4	13.5
+95.8	13.34	13.49	13.54
+95.9	13.51	13.52	13.5
+96.0	13.45	13.52	13.58
+96.1	13.35	13.48	13.54
+96.2	13.55	13.57	13.58
+96.3	13.46	13.65	13.49
+96.4	13.44	13.59	13.58
+96.5	13.46	13.54	13.55
+96.6	13.49	13.56	13.59
+96.7	13.41	13.53	13.49
+96.8	13.37	13.57	13.55
+96.9	13.44	13.58	13.48
+97.0	13.51	13.67	13.46
+97.1	13.37	13.47	13.51
+97.2	13.52	13.51	13.48
+97.3	13.49	13.53	13.43
+97.4	13.53	13.57	13.52
+97.5	13.49	13.57	13.49
+97.6	13.53	13.52	13.41
+97.7	13.45	13.61	13.55
+97.8	13.51	13.62	13.54
+97.9	13.51	13.61	13.57
+98.0	13.47	13.65	13.41
+98.1	13.44	13.63	13.52
+98.2	13.39	13.65	13.64
+98.3	13.39	13.67	13.58
+98.4	13.45	13.58	13.56
+98.5	13.46	13.62	13.69
+98.6	13.42	13.67	13.68
+98.7	13.46	13.55	13.6
+98.8	13.46	13.6	13.58
+98.9	13.46	13.53	13.66
+99.0	13.5	13.7	13.69
+99.1	13.4	13.5	13.71
+99.2	13.39	13.51	13.63
+99.3	13.44	13.5	13.55
+99.4	13.33	13.51	13.56
+99.5	13.42	13.56	13.6
+99.6	13.41	13.46	13.66
+99.7	13.31	13.54	13.69
+99.8	13.34	13.53	13.62
+99.9	13.37	13.54	13.68
+100.0	13.33	13.59	13.6

atlas_1000_analysis/1ikt_A/1ikt_A_pLDDT.tsv

@@ -0,0 +1,121 @@
+seq	pLDDT
+M	37.52
+E	38.09
+G	43.96
+G	66.94
+K	82.87
+L	94.82
+Q	96.56
+S	97.11
+T	97.25
+F	96.3
+V	96.78
+F	97.69
+E	96.75
+E	95.8
+I	96.23
+G	96.68
+R	96.41
+R	94.87
+L	96.17
+K	94.72
+D	94.65
+I	94.6
+G	95.69
+P	96.32
+E	95.07
+V	95.78
+V	97.01
+K	95.81
+K	95.3
+V	96.55
+N	97.1
+A	98.12
+V	98.47
+F	98.59
+E	98.67
+W	98.66
+H	98.38
+I	98.33
+T	97.85
+K	96.3
+G	92.91
+G	89.74
+N	95.53
+I	96.53
+G	95.37
+A	97.12
+K	98.34
+W	98.61
+T	98.6
+I	98.24
+D	98.07
+L	98.02
+K	95.92
+S	90.69
+G	93.38
+S	94.91
+G	97.19
+K	97.6
+V	98.12
+Y	98.15
+Q	97.85
+G	97.62
+P	97.82
+A	97.69
+K	95.78
+G	95.37
+A	95.62
+A	98.22
+D	98.52
+T	98.38
+T	98.55
+I	98.44
+I	98.45
+L	98.51
+S	98.31
+D	98.1
+E	97.85
+D	98.1
+F	98.12
+M	97.64
+E	97.89
+V	96.59
+V	95.13
+L	94.59
+G	94.51
+K	97.09
+L	96.73
+D	96.29
+P	96.2
+Q	95.1
+K	96.7
+A	97.79
+F	97.2
+F	96.43
+S	97.18
+G	97.14
+R	97.51
+L	98.11
+K	97.88
+A	97.42
+R	97.01
+G	97.83
+N	97.25
+I	94.91
+M	94.33
+L	96.87
+S	93.9
+Q	93.01
+K	93.71
+L	94.48
+Q	92.78
+M	91.57
+I	90.01
+L	87.89
+K	89.8
+D	89.11
+Y	87.49
+A	85.48
+K	79.61
+L	69.3

atlas_1000_analysis/1ikt_A/README.txt

@@ -0,0 +1,40 @@
+These trajectories and corresponding analysis were downloaded from the ATLAS database (https://www.dsimb.inserm.fr/ATLAS).
+
+ATLAS gathers standardized molecular dynamics simulations of protein structures accompanied by their analysis in the form of interactive diagrams and trajectory visualization. All the raw trajectories as well as the results of analysis are available for download.
+
+
+ • ARCHIVE CONTENT •
+Protein structure and trajectory files:
+     - PDB_Name.pdb: Protein structure in PDB format used to launch the molecular dynamics (after energy minimisation and equilibrations).
+     - PDB_Name_corresp.tsv: Correspondence between the author residue number (PDB file / CIF file) and the new numbering (starting from 1).
+     - PDB_Name_R{1,2,3}.tpr: File containing the starting structure of the simulation, the molecular topology and all the simulation parameters.
+     - PDB_Name_R{1,2,3}.xtc: MD trajectory without solvent molecules. Each trajectory is of 100 ns with frames saved every 100 ps (1,000 frames in total).
+
+Results of MD simulation analysis:
+     - PDB_Name_Bfactor.tsv: Experimental B-factor values of the initial PDB structure (in Ų).
+     - PDB_Name_RMSF.tsv: RMSF values for the 3 MD replicates (in Å).
+     - PDB_Name_Neq.tsv: Local deformability index Neq for the 3 MD replicates.
+     - PDB_Name_RMSD.tsv: RMSD values for the 3 MD replicates (in Å / ns).
+     - PDB_Name_gyr.tsv: Gyration radius values for the 3 MD replicates (in Å / ns).
+     - PDB_Name_contacts.tsv: Residue-level interactions co-crystallized with the protein of interest (chain, ligands, ions and nucleotides within 6 Å threshold of the α-carbon of the residue).
+     - PDB_Name_pLDDT.tsv: AlphaFold2 pLDDT. pLDDT is the per-residue prediction confidence metric, not a flexibility measurement.
+
+See the ATLAS about page (https://www.dsimb.inserm.fr/ATLAS/about.html) for details.
+
+ • MOLECULAR DYNAMICS PARAMETERS •
+Download the ATLAS GROMACS molecular dynamics parameters (.mdp) and force-field files (CHARMM36m) with https://www.dsimb.inserm.fr/ATLAS/data/download/ATLAS_parameters.zip or using the REST API with `curl -X 'GET' 'https://www.dsimb.inserm.fr/ATLAS/api/MD_parameters' -o MD_parameters.zip`
+
+
+ • LICENSE •
+The ATLAS database is released under a Creative Commons Attribution-NonCommercial 4.0 International license (CC-BY-NC). This license is one of the Creative Commons licenses and allows users to share and adapt the dataset if they give credit to the copyright holder and do not use the dataset for any commercial purposes. See https://creativecommons.org/licenses/by-nc/4.0/ for details.
+Please contact us for commercial use.
+
+
+ • CONTACTS •
+For scientific collaboration, please contact:
+      Tatiana GALOCHKINA, Associate Professor, Université Paris Cité
+      tatiana.galochkina (at) u-paris.fr
+  or
+      Jean-Christophe GELLY, Professor, Université Paris Cité
+      jean-christophe.gelly (at) u-paris.fr 
+

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+F	1.062	1.022	1.042
+I	1.0	1.0	1.0
+G	1.001	1.007	1.001
+I	1.003	1.017	1.003
+Q	1.002	1.015	1.012
+L	1.004	1.023	1.007
+P	1.014	1.066	1.025
+E	1.003	1.023	1.003
+E	1.0	1.007	1.001
+E	1.0	1.0	1.0
+I	1.0	1.0	1.0
+R	1.0	1.0	1.0
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+F	1.0	1.0	1.001
+A	1.0	1.006	1.002
+G	1.056	1.198	1.632
+L	2.882	3.261	3.479
+R	1.0	1.0	1.0
+K	1.0	1.0	1.0

atlas_1000_analysis/1nij_A/1nij_A_RMSD.tsv

@@ -0,0 +1,1002 @@
+time	RMSD_R1	RMSD_R2	RMSD_R3
+0.0	0.0	0.0	0.0
+0.1	1.27	1.38	1.13
+0.2	1.36	1.34	1.11
+0.3	1.36	1.53	1.31
+0.4	1.01	1.41	1.38
+0.5	1.17	1.6	1.34
+0.6	1.07	1.44	1.39
+0.7	1.16	1.57	1.66
+0.8	1.07	1.61	1.65
+0.9	1.25	1.42	1.59
+1.0	1.18	1.58	1.66
+1.1	1.25	1.59	1.34
+1.2	1.16	1.51	1.39
+1.3	1.5	1.5	1.26
+1.4	1.42	1.63	1.39
+1.5	1.25	1.59	1.11
+1.6	1.39	1.66	1.31
+1.7	1.38	1.61	1.23
+1.8	1.59	1.69	1.05
+1.9	1.58	1.57	1.07
+2.0	1.44	1.59	1.17
+2.1	1.17	1.56	1.2
+2.2	1.5	1.98	1.28
+2.3	1.19	1.29	1.22
+2.4	1.14	1.26	1.52
+2.5	1.09	1.26	1.88
+2.6	1.23	1.15	1.61
+2.7	1.31	1.51	1.27
+2.8	1.3	1.71	1.16
+2.9	1.22	1.28	1.56
+3.0	1.21	1.65	1.36
+3.1	1.18	1.49	1.34
+3.2	1.38	1.43	1.33
+3.3	1.25	1.48	1.26
+3.4	1.45	1.54	1.22
+3.5	1.34	1.61	1.3
+3.6	1.34	1.78	1.23
+3.7	1.54	1.4	1.42
+3.8	1.44	2.12	1.44
+3.9	1.35	1.97	1.53
+4.0	1.35	1.75	1.46
+4.1	1.28	1.71	1.53
+4.2	1.46	1.59	1.33
+4.3	1.45	1.85	1.4
+4.4	1.43	1.81	1.38
+4.5	1.4	1.49	1.37
+4.6	1.26	1.92	1.67
+4.7	1.65	1.81	1.47
+4.8	1.45	1.5	1.42
+4.9	1.43	1.92	1.46
+5.0	1.5	1.9	1.56
+5.1	1.61	1.82	1.41
+5.2	1.45	1.88	1.44
+5.3	1.45	1.92	1.59
+5.4	1.57	1.68	1.68
+5.5	1.48	1.8	1.47
+5.6	1.28	1.54	1.58
+5.7	1.42	1.59	1.51
+5.8	1.31	1.64	1.4
+5.9	1.2	1.57	1.4
+6.0	1.56	1.99	1.62
+6.1	1.26	1.92	1.51
+6.2	1.33	2.09	1.55
+6.3	1.32	1.98	1.47
+6.4	1.43	2.11	1.46
+6.5	1.2	2.25	1.27
+6.6	1.11	1.93	1.45
+6.7	1.21	1.99	1.45
+6.8	1.26	1.72	1.39
+6.9	1.22	1.65	1.62
+7.0	1.1	1.96	1.38
+7.1	1.16	1.58	1.36
+7.2	1.2	1.47	1.21
+7.3	1.14	1.69	1.32
+7.4	1.13	1.65	1.3
+7.5	1.01	1.72	1.53
+7.6	1.18	1.56	1.34
+7.7	1.26	1.35	1.3
+7.8	1.18	1.46	1.45
+7.9	1.27	1.69	1.6
+8.0	1.46	2.09	1.39
+8.1	1.29	2.03	1.33
+8.2	1.33	1.84	1.61
+8.3	1.47	1.48	1.26
+8.4	1.42	1.2	1.3
+8.5	1.28	1.4	1.27
+8.6	1.32	1.29	1.46
+8.7	1.32	1.98	1.27
+8.8	1.38	1.47	1.38
+8.9	1.38	1.33	1.32
+9.0	1.29	1.23	1.28
+9.1	1.29	1.51	1.41
+9.2	1.41	1.57	1.46
+9.3	1.45	1.59	1.53
+9.4	1.45	1.46	1.41
+9.5	1.46	1.5	1.53
+9.6	1.4	1.2	1.73
+9.7	1.48	1.18	1.49
+9.8	1.61	1.15	1.52
+9.9	1.43	1.19	1.43
+10.0	1.49	1.2	1.74
+10.1	1.44	1.3	1.44
+10.2	1.61	1.16	1.44
+10.3	1.32	1.36	1.57
+10.4	1.23	1.31	1.52
+10.5	1.31	1.24	1.37
+10.6	1.46	1.4	1.49
+10.7	1.27	1.32	1.49
+10.8	1.36	1.37	1.47
+10.9	1.41	1.4	1.55
+11.0	1.27	1.33	1.57
+11.1	1.33	1.42	1.39
+11.2	1.51	1.27	1.46
+11.3	1.59	1.46	1.7
+11.4	1.31	1.43	1.6
+11.5	1.38	1.3	1.42
+11.6	1.28	1.47	1.38
+11.7	1.25	1.37	1.61
+11.8	1.28	1.47	1.55
+11.9	1.27	1.54	1.47
+12.0	1.28	1.46	1.66
+12.1	1.08	1.42	1.61
+12.2	1.23	1.62	1.52
+12.3	1.15	1.43	1.54
+12.4	1.16	1.6	1.41
+12.5	1.17	1.76	1.65
+12.6	1.1	1.74	1.49
+12.7	1.23	1.44	1.43
+12.8	1.16	1.58	1.51
+12.9	1.35	1.52	1.51
+13.0	1.07	1.45	1.51
+13.1	1.13	1.61	1.43
+13.2	1.14	1.74	1.42
+13.3	1.24	1.47	1.47
+13.4	1.2	1.5	1.59
+13.5	1.21	1.49	1.61
+13.6	1.21	1.49	1.51
+13.7	1.2	1.38	1.4
+13.8	1.19	1.34	1.45
+13.9	1.22	1.56	1.47
+14.0	1.12	1.5	1.37
+14.1	1.29	1.46	1.41
+14.2	1.21	1.36	1.34
+14.3	1.29	1.55	1.31
+14.4	1.21	1.48	1.44
+14.5	1.25	1.34	1.45
+14.6	1.28	1.37	1.49
+14.7	1.13	1.55	1.48
+14.8	1.33	1.49	1.36
+14.9	1.26	1.38	1.57
+15.0	1.2	1.51	1.45
+15.1	1.18	1.32	1.48
+15.2	1.26	1.32	1.38
+15.3	1.36	1.28	1.51
+15.4	1.27	1.28	1.49
+15.5	1.21	1.4	1.4
+15.6	1.25	1.4	1.43
+15.7	1.33	1.48	1.43
+15.8	1.18	1.45	1.27
+15.9	1.22	1.4	1.47
+16.0	1.3	1.51	1.36
+16.1	1.38	1.63	1.31
+16.2	1.22	1.46	1.28
+16.3	1.22	1.62	1.5
+16.4	1.24	1.32	1.54
+16.5	1.26	1.52	1.33
+16.6	1.18	1.54	1.46
+16.7	1.32	1.49	1.63
+16.8	1.15	1.44	1.65
+16.9	1.28	1.63	1.86
+17.0	1.34	1.41	1.76
+17.1	1.24	1.45	1.5
+17.2	1.39	1.4	1.63
+17.3	1.44	1.46	1.46
+17.4	1.44	1.5	1.48
+17.5	1.55	1.62	1.38
+17.6	1.32	1.5	1.41
+17.7	1.24	1.4	1.49
+17.8	1.15	1.44	1.37
+17.9	1.19	1.42	1.71
+18.0	1.35	1.52	1.72
+18.1	1.24	1.53	1.44
+18.2	1.21	1.44	1.34
+18.3	1.32	1.51	1.51
+18.4	1.36	1.68	1.66
+18.5	1.27	1.52	1.54
+18.6	1.3	1.71	1.55
+18.7	1.26	1.41	1.36
+18.8	1.28	1.27	1.34
+18.9	1.34	1.3	1.32
+19.0	1.27	1.54	1.35
+19.1	1.17	1.44	1.45
+19.2	1.11	1.52	1.57
+19.3	1.07	1.61	1.61
+19.4	1.07	1.38	1.4
+19.5	1.1	1.59	1.64
+19.6	1.2	1.42	1.48
+19.7	1.26	1.34	1.62
+19.8	1.28	1.28	1.52
+19.9	1.23	1.43	1.88
+20.0	1.22	1.3	1.78
+20.1	1.28	1.45	1.78
+20.2	1.47	1.33	1.59
+20.3	1.49	1.45	1.68
+20.4	1.25	1.34	1.49
+20.5	1.29	1.45	1.67
+20.6	1.53	1.47	1.59
+20.7	1.33	1.45	1.49
+20.8	1.27	1.46	1.5
+20.9	1.64	1.58	1.55
+21.0	1.26	1.3	1.59
+21.1	1.33	1.42	1.41
+21.2	1.47	1.45	1.51
+21.3	1.27	1.34	1.53
+21.4	1.45	1.35	1.67
+21.5	1.1	1.49	1.47
+21.6	1.37	1.29	1.56
+21.7	1.27	1.32	1.6
+21.8	1.33	1.22	1.6
+21.9	1.16	1.3	1.54
+22.0	1.17	1.34	1.67
+22.1	1.42	1.45	1.52
+22.2	1.29	1.39	1.63
+22.3	1.39	1.42	1.42
+22.4	1.29	1.58	1.57
+22.5	1.39	1.35	1.61
+22.6	1.36	1.43	1.56
+22.7	1.38	1.37	1.5
+22.8	1.36	1.39	1.62
+22.9	1.49	1.22	1.56
+23.0	1.37	1.59	1.52
+23.1	1.45	1.64	1.61
+23.2	1.5	1.64	1.76
+23.3	1.42	1.29	1.43
+23.4	1.35	1.35	1.3
+23.5	1.37	1.68	1.34
+23.6	1.25	1.23	1.36
+23.7	1.42	1.2	1.5
+23.8	1.3	1.29	1.36
+23.9	1.3	1.17	1.43
+24.0	1.48	1.47	1.49
+24.1	1.49	1.4	1.36
+24.2	1.36	1.39	1.41
+24.3	1.34	1.59	1.59
+24.4	1.35	1.67	1.31
+24.5	1.51	1.34	1.45
+24.6	1.41	1.33	1.53
+24.7	1.48	1.45	1.4
+24.8	1.39	1.39	1.69
+24.9	1.52	1.35	1.41
+25.0	1.36	1.62	1.38
+25.1	1.36	1.5	1.34
+25.2	1.39	1.5	1.42
+25.3	1.43	1.68	1.25
+25.4	1.51	1.28	1.22
+25.5	1.46	1.7	1.42
+25.6	1.35	1.42	1.21
+25.7	1.34	1.44	1.29
+25.8	1.52	1.6	1.24
+25.9	1.4	1.5	1.42
+26.0	1.36	1.45	1.3
+26.1	1.53	1.42	1.45
+26.2	1.41	1.45	1.59
+26.3	1.25	1.33	1.28
+26.4	1.19	1.49	1.57
+26.5	1.18	1.45	1.25
+26.6	1.29	1.53	1.23
+26.7	1.32	1.61	1.54
+26.8	1.31	1.34	1.36
+26.9	1.35	1.51	1.6
+27.0	1.37	1.6	1.48
+27.1	1.43	1.64	1.58
+27.2	1.45	1.7	1.61
+27.3	1.33	1.78	1.61
+27.4	1.17	1.81	1.48
+27.5	1.38	1.44	1.66
+27.6	1.33	1.46	1.43
+27.7	1.36	1.33	1.47
+27.8	1.31	1.4	1.37
+27.9	1.44	1.5	1.4
+28.0	1.37	1.47	1.43
+28.1	1.24	1.75	1.55
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+28.3	1.36	1.69	1.52
+28.4	1.28	1.48	1.47
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+28.7	1.37	1.59	1.52
+28.8	1.29	1.79	1.47
+28.9	1.28	1.87	1.37
+29.0	1.36	2.05	1.26
+29.1	1.33	1.86	1.6
+29.2	1.32	1.81	1.37
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+29.4	1.28	1.81	1.43
+29.5	1.37	1.55	1.63
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+29.8	1.38	1.61	1.61
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+31.1	1.31	1.8	1.56
+31.2	1.28	1.46	1.67
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+31.9	1.3	1.46	1.51
+32.0	1.37	1.86	1.49
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+32.5	1.47	1.44	1.63
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+32.8	1.43	1.27	1.7
+32.9	1.31	1.42	1.58
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+33.1	1.18	1.72	1.74
+33.2	1.32	1.51	1.61
+33.3	1.24	1.52	1.66
+33.4	1.33	1.47	1.79
+33.5	1.28	1.44	1.71
+33.6	1.2	1.57	1.63
+33.7	1.26	1.39	1.81
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+33.9	1.33	1.61	1.61
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+35.3	1.22	1.61	1.63
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+35.9	1.35	1.4	1.53
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+36.2	1.53	1.35	1.32
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+36.4	1.38	1.17	1.42
+36.5	1.48	1.46	1.54
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+36.7	1.51	1.58	1.44
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+37.2	1.26	1.39	1.75
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+37.8	1.37	1.23	1.69
+37.9	1.38	1.29	2.13
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+40.8	1.49	1.55	1.75
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+41.2	1.55	1.6	1.61
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+41.4	1.51	1.67	1.51
+41.5	1.25	1.49	1.44
+41.6	1.4	1.58	1.54
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+41.9	1.37	1.58	1.51
+42.0	1.59	1.49	1.58
+42.1	1.42	1.92	1.6
+42.2	1.54	1.87	1.8
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+42.4	1.34	1.91	1.49
+42.5	1.39	1.63	1.47
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+42.8	1.31	1.53	1.38
+42.9	1.54	1.59	1.57
+43.0	1.51	1.65	1.6
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+88.6	1.4	1.29	1.43
+88.7	1.57	1.23	1.53
+88.8	1.57	1.34	1.45
+88.9	1.42	1.46	1.63
+89.0	1.54	1.44	1.42
+89.1	1.41	1.48	1.5
+89.2	1.5	1.41	1.43
+89.3	1.43	1.36	1.68
+89.4	1.3	1.42	1.39
+89.5	1.48	1.31	1.51
+89.6	1.51	1.24	1.45
+89.7	1.39	1.52	1.45
+89.8	1.47	1.32	1.36
+89.9	1.56	1.31	1.3
+90.0	1.37	1.36	1.49
+90.1	1.37	1.41	1.29
+90.2	1.41	1.31	1.51
+90.3	1.62	1.54	1.35
+90.4	1.55	1.38	1.56
+90.5	1.35	1.67	1.56
+90.6	1.71	1.42	1.58
+90.7	1.51	1.53	1.42
+90.8	1.54	1.53	1.52
+90.9	1.45	1.42	1.38
+91.0	1.49	1.52	1.38
+91.1	1.37	1.39	1.46
+91.2	1.43	1.37	1.63
+91.3	1.43	1.54	1.69
+91.4	1.53	1.39	1.48
+91.5	1.46	1.28	1.47
+91.6	1.58	1.55	1.46
+91.7	1.45	1.49	1.52
+91.8	1.49	1.53	1.47
+91.9	1.62	1.53	1.66
+92.0	1.47	1.58	1.38
+92.1	1.61	1.36	1.44
+92.2	1.61	1.42	1.58
+92.3	1.36	1.4	1.55
+92.4	1.45	1.49	1.72
+92.5	1.42	1.48	1.47
+92.6	1.34	1.66	1.66
+92.7	1.63	1.38	1.57
+92.8	1.77	1.74	1.66
+92.9	1.46	1.42	1.54
+93.0	1.34	1.42	1.44
+93.1	1.4	1.56	1.5
+93.2	1.29	1.33	1.62
+93.3	1.23	1.33	1.51
+93.4	1.44	1.53	1.65
+93.5	1.36	1.36	1.6
+93.6	1.22	1.61	1.48
+93.7	1.41	1.43	1.57
+93.8	1.37	1.46	1.49
+93.9	1.33	1.45	1.45
+94.0	1.42	1.47	1.58
+94.1	1.44	1.52	1.59
+94.2	1.5	1.38	1.59
+94.3	1.66	1.5	1.72
+94.4	1.47	1.6	1.62
+94.5	1.38	1.35	1.48
+94.6	1.5	1.56	1.6
+94.7	1.43	1.5	1.54
+94.8	1.29	1.48	1.43
+94.9	1.41	1.6	1.38
+95.0	1.36	1.66	1.39
+95.1	1.46	1.47	1.48
+95.2	1.34	1.44	1.66
+95.3	1.29	1.5	1.47
+95.4	1.72	1.66	1.45
+95.5	1.63	1.45	1.55
+95.6	1.45	1.57	1.57
+95.7	1.53	1.45	1.68
+95.8	1.47	1.63	1.56
+95.9	1.59	1.55	1.77
+96.0	1.48	1.8	1.64
+96.1	1.57	1.65	1.65
+96.2	1.53	1.46	1.57
+96.3	1.51	1.65	1.66
+96.4	1.68	1.42	1.67
+96.5	1.47	1.6	1.7
+96.6	1.4	1.64	1.83
+96.7	1.82	1.65	1.69
+96.8	1.66	1.65	1.82
+96.9	1.47	1.5	1.6
+97.0	1.53	1.77	1.64
+97.1	1.77	1.64	1.41
+97.2	1.58	1.59	1.55
+97.3	1.67	1.59	1.55
+97.4	1.45	1.57	1.39
+97.5	1.56	1.47	1.5
+97.6	1.48	1.6	1.54
+97.7	1.48	1.72	1.43
+97.8	1.51	1.46	1.51
+97.9	1.57	1.43	1.6
+98.0	1.63	1.59	1.46
+98.1	1.56	1.62	1.64
+98.2	1.58	1.69	1.44
+98.3	1.45	1.49	1.55
+98.4	1.35	1.6	1.53
+98.5	1.57	1.46	1.73
+98.6	1.33	1.43	1.63
+98.7	1.63	1.45	1.61
+98.8	1.61	1.51	1.39
+98.9	1.59	1.59	1.48
+99.0	1.38	1.6	1.54
+99.1	1.59	1.64	1.49
+99.2	1.77	1.46	1.4
+99.3	1.82	1.5	1.47
+99.4	1.79	1.45	1.7
+99.5	1.66	1.58	1.55
+99.6	1.53	1.52	1.49
+99.7	1.59	1.37	1.69
+99.8	1.54	1.56	1.6
+99.9	1.47	1.57	1.58
+100.0	1.6	1.35	1.5

atlas_1000_analysis/1nij_A/1nij_A_RMSF.tsv

@@ -0,0 +1,319 @@
+seq	RMSF_R1	RMSF_R2	RMSF_R3
+M	2.63	2.46	2.94
+N	1.75	1.62	1.9
+P	1.01	0.99	1.1
+I	0.66	0.7	0.64
+A	0.57	0.6	0.54
+V	0.49	0.53	0.48
+T	0.48	0.51	0.46
+L	0.46	0.5	0.47
+L	0.48	0.5	0.49
+T	0.52	0.49	0.53
+G	0.64	0.58	0.64
+F	1.14	0.56	1.03
+L	1.35	0.94	1.18
+G	1.55	1.24	1.89
+A	1.61	1.62	1.59
+G	1.28	1.57	2.04
+K	1.07	0.99	1.32
+T	1.05	1.05	1.13
+T	1.09	1.21	1.29
+L	1.06	1.15	0.97
+L	1.04	0.93	0.96
+R	1.22	1.4	1.24
+H	1.4	1.44	1.1
+I	1.08	1.1	0.8
+L	1.0	1.07	0.82
+N	1.32	1.45	1.12
+E	1.46	1.58	1.31
+Q	1.54	1.88	1.61
+H	1.57	2.07	1.68
+G	1.64	2.64	2.04
+Y	1.26	2.07	1.46
+K	0.77	1.3	0.91
+I	0.61	0.63	0.61
+A	0.49	0.49	0.47
+V	0.45	0.53	0.45
+I	0.53	0.7	0.53
+E	0.87	1.19	0.83
+N	1.12	2.49	1.47
+E	1.38	2.57	1.48
+F	1.29	2.46	1.57
+G	1.47	3.02	1.56
+E	1.6	2.23	1.52
+V	1.37	2.08	1.13
+S	1.38	1.32	1.44
+V	1.13	1.02	1.27
+D	1.15	1.04	1.3
+D	1.05	1.02	1.2
+Q	1.03	0.94	1.11
+L	1.01	0.92	1.06
+I	1.06	0.95	1.17
+G	0.99	0.89	1.11
+D	1.14	1.04	1.3
+R	1.15	1.01	1.37
+A	1.18	1.03	1.43
+T	0.93	0.84	1.13
+Q	0.96	0.82	1.17
+I	0.79	0.69	0.86
+K	0.81	0.72	0.88
+T	0.77	0.7	0.85
+L	0.86	0.76	0.99
+T	1.13	1.04	1.31
+N	1.08	1.06	1.2
+G	1.0	0.94	1.1
+C	0.7	0.66	0.76
+I	0.59	0.53	0.63
+C	0.65	0.56	0.71
+C	0.67	0.8	0.74
+S	0.87	1.43	1.29
+R	0.94	1.24	1.84
+S	1.43	1.07	2.05
+N	1.53	1.07	1.79
+E	1.15	1.0	1.22
+L	0.85	0.85	0.9
+E	0.87	0.85	0.92
+D	0.91	0.82	1.0
+A	0.76	0.69	0.82
+L	0.66	0.67	0.65
+L	0.78	0.74	0.81
+D	0.79	0.72	0.83
+L	0.71	0.68	0.67
+L	0.85	0.78	0.74
+D	0.95	0.9	0.86
+N	0.87	0.93	0.79
+L	0.91	1.03	0.77
+D	1.17	1.24	0.98
+K	1.26	1.35	1.06
+G	1.13	1.39	1.02
+N	1.0	1.24	0.98
+I	0.84	1.16	0.85
+Q	0.83	1.21	0.83
+F	0.71	1.06	0.66
+D	0.7	1.22	0.78
+R	0.56	0.66	0.52
+L	0.44	0.52	0.42
+V	0.42	0.54	0.41
+I	0.44	0.55	0.46
+E	0.64	0.62	0.52
+C	0.73	0.64	0.62
+T	0.64	0.63	0.6
+G	0.76	0.7	0.73
+M	0.75	0.75	0.74
+A	0.78	0.75	0.74
+D	0.75	0.73	0.69
+P	0.73	0.65	0.66
+G	0.72	0.7	0.71
+P	0.76	0.76	0.8
+I	0.69	0.66	0.71
+I	0.69	0.72	0.7
+Q	0.8	0.88	0.84
+T	0.8	0.86	0.85
+F	0.75	0.82	0.78
+F	0.87	0.94	0.92
+S	0.97	1.09	1.04
+H	0.97	1.04	0.96
+E	1.12	1.1	1.13
+V	1.02	0.94	1.03
+L	0.81	0.8	0.8
+C	0.94	0.94	0.93
+Q	1.04	0.98	1.01
+R	0.81	0.77	0.78
+Y	0.68	0.71	0.66
+L	0.79	0.81	0.75
+L	0.66	0.66	0.63
+D	0.58	0.56	0.54
+G	0.6	0.58	0.57
+V	0.5	0.49	0.49
+I	0.5	0.48	0.49
+A	0.5	0.46	0.5
+L	0.56	0.48	0.59
+V	0.56	0.49	0.6
+D	0.69	0.65	0.69
+A	0.76	0.69	0.71
+V	0.89	0.74	0.8
+H	1.01	0.91	0.8
+A	0.75	0.75	0.74
+D	0.86	0.72	0.78
+E	0.97	0.77	0.84
+Q	0.8	0.71	0.72
+M	0.65	0.65	0.64
+N	0.71	0.71	0.68
+Q	0.84	0.78	0.78
+F	0.76	0.68	0.7
+T	0.67	0.63	0.64
+I	0.59	0.56	0.59
+A	0.56	0.51	0.55
+Q	0.49	0.45	0.48
+S	0.49	0.44	0.49
+Q	0.51	0.45	0.5
+V	0.51	0.44	0.48
+G	0.52	0.44	0.48
+Y	0.51	0.45	0.5
+A	0.51	0.45	0.49
+D	0.53	0.46	0.5
+R	0.59	0.51	0.53
+I	0.54	0.47	0.5
+L	0.57	0.52	0.56
+L	0.61	0.55	0.64
+T	0.69	0.64	0.74
+K	0.87	0.8	0.87
+T	0.97	0.92	1.02
+D	1.34	1.26	1.4
+V	1.23	1.2	1.42
+A	1.14	1.08	1.28
+G	1.73	2.08	2.26
+E	2.1	2.14	2.48
+A	1.37	1.06	1.11
+E	1.23	0.98	1.01
+K	0.92	0.85	0.87
+L	0.71	0.68	0.69
+H	0.73	0.68	0.67
+E	0.73	0.66	0.68
+R	0.58	0.56	0.57
+L	0.53	0.49	0.49
+A	0.63	0.55	0.55
+R	0.62	0.56	0.54
+I	0.5	0.46	0.44
+N	0.48	0.44	0.44
+A	0.52	0.51	0.5
+R	0.6	0.49	0.54
+A	0.63	0.52	0.54
+P	0.66	0.62	0.63
+V	0.64	0.6	0.6
+Y	0.65	0.64	0.65
+T	0.73	0.72	0.94
+V	0.77	0.8	1.12
+T	1.03	1.32	2.13
+H	1.18	1.74	3.07
+G	1.21	1.48	2.38
+D	1.08	1.15	2.03
+I	0.93	1.05	1.72
+D	0.96	1.04	1.19
+L	0.95	0.92	0.88
+G	1.01	0.96	1.04
+L	0.93	0.87	0.88
+L	0.87	0.71	0.77
+F	0.66	0.62	0.63
+N	0.7	0.67	0.66
+T	0.67	0.6	0.61
+N	0.75	0.65	0.66
+G	0.68	0.61	0.64
+F	0.66	0.59	0.61
+M	0.78	0.67	0.68
+L	0.64	0.61	0.7
+E	0.73	0.67	0.8
+E	0.81	0.76	1.14
+N	0.97	0.75	0.82
+V	0.73	0.67	0.63
+V	0.64	0.69	0.69
+S	0.8	0.96	0.7
+T	0.88	0.94	0.74
+K	1.06	1.2	0.82
+P	1.16	1.43	0.96
+R	1.63	1.38	1.14
+F	1.82	1.99	1.77
+H	1.64	1.91	1.88
+F	2.03	2.27	2.42
+I	1.8	2.36	2.89
+A	1.82	1.24	2.46
+D	1.88	1.51	2.64
+K	1.69	1.12	1.75
+Q	1.32	1.01	1.29
+N	0.69	0.65	0.64
+D	0.64	0.66	0.64
+I	0.59	0.53	0.53
+S	0.75	0.75	0.7
+S	0.52	0.52	0.49
+I	0.49	0.52	0.48
+V	0.51	0.52	0.51
+V	0.57	0.59	0.56
+E	0.69	0.7	0.63
+L	0.79	0.78	0.71
+D	1.03	1.0	0.97
+Y	0.98	0.91	0.94
+P	0.9	0.82	0.83
+V	0.91	0.81	0.84
+D	1.02	0.96	0.92
+I	1.05	0.99	0.94
+S	1.18	1.11	1.1
+E	1.1	1.04	1.06
+V	0.93	0.91	0.86
+S	1.05	0.98	0.94
+R	1.13	1.09	1.09
+V	1.02	0.98	0.97
+M	0.92	0.9	0.84
+E	1.04	1.05	1.02
+N	1.08	1.16	1.04
+L	0.99	1.29	0.93
+L	1.09	1.84	1.15
+L	1.49	2.07	1.6
+E	1.53	1.56	1.5
+S	1.02	1.05	0.94
+A	1.29	0.97	1.02
+D	0.99	0.91	0.91
+K	0.76	0.7	0.7
+L	0.63	0.54	0.57
+L	0.58	0.5	0.52
+R	0.49	0.48	0.48
+Y	0.46	0.45	0.45
+K	0.45	0.46	0.45
+G	0.51	0.5	0.48
+M	0.53	0.53	0.52
+L	0.59	0.56	0.59
+W	0.7	0.62	0.65
+I	0.78	0.7	0.7
+D	0.97	0.93	0.88
+G	1.15	1.32	1.08
+E	1.0	1.06	0.93
+P	1.03	1.05	0.96
+N	0.86	0.85	0.78
+R	0.76	0.75	0.68
+L	0.64	0.65	0.58
+L	0.57	0.58	0.53
+F	0.54	0.55	0.51
+Q	0.48	0.49	0.49
+G	0.54	0.55	0.54
+V	0.55	0.56	0.55
+Q	0.67	0.68	0.68
+R	0.82	0.86	0.84
+L	0.74	0.72	0.74
+Y	0.8	0.81	0.75
+S	0.77	0.77	0.76
+A	0.79	0.79	0.79
+D	0.76	0.77	0.76
+W	0.77	0.8	0.74
+D	0.85	0.9	0.81
+R	0.99	1.04	0.93
+P	1.0	0.99	0.93
+W	1.05	0.99	0.95
+G	1.34	1.32	1.26
+D	1.65	1.61	1.55
+E	1.42	1.36	1.3
+K	1.25	1.16	1.16
+P	0.99	0.89	0.89
+H	0.96	0.94	0.87
+S	0.69	0.63	0.6
+T	0.64	0.64	0.6
+M	0.53	0.56	0.49
+V	0.42	0.44	0.41
+F	0.43	0.43	0.42
+I	0.45	0.42	0.43
+G	0.65	0.55	0.53
+I	0.61	0.6	0.58
+Q	0.71	0.82	0.72
+L	0.78	0.79	0.72
+P	1.36	1.14	1.14
+E	1.12	1.4	1.09
+E	1.15	1.17	1.2
+E	1.16	1.04	1.13
+I	0.93	0.81	0.9
+R	0.99	1.02	1.08
+A	1.17	1.15	1.26
+A	1.1	1.01	1.08
+F	0.98	1.0	0.98
+A	1.3	1.27	1.39
+G	1.38	1.28	1.48
+L	1.16	1.21	1.17
+R	1.43	1.55	1.45
+K	1.9	1.94	2.18

atlas_1000_analysis/1nij_A/1nij_A_contacts.tsv

@@ -0,0 +1,319 @@
+seq	nb_chain	nb_ligand	nb_ion	nb_nucleotide	name_chain	name_ligand	name_ion	name_nucleotide
+M	-	-	-	-	-	-	-	-
+N	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
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atlas_1000_analysis/1nij_A/1nij_A_corresp.tsv

@@ -0,0 +1,319 @@
+UnP_seq	PDB_seq	PDB_num	CIF_num	UnP_num	gap	hetatm	corrected	no_fullbb	no_ca
+M	-	1	1	1	1	0	0	0	0
+N	N	2	2	2	0	0	0	0	0
+P	P	3	3	3	0	0	0	0	0
+I	I	4	4	4	0	0	0	0	0
+A	A	5	5	5	0	0	0	0	0
+V	V	6	6	6	0	0	0	0	0
+T	T	7	7	7	0	0	0	0	0
+L	L	8	8	8	0	0	0	0	0
+L	L	9	9	9	0	0	0	0	0
+T	T	10	10	10	0	0	0	0	0
+G	G	11	11	11	0	0	0	0	0
+F	F	12	12	12	0	0	0	0	0
+L	L	13	13	13	0	0	0	0	0
+G	G	14	14	14	0	0	0	0	0
+A	A	15	15	15	0	0	0	0	0
+G	G	16	16	16	0	0	0	0	0
+K	K	17	17	17	0	0	0	0	0
+T	T	18	18	18	0	0	0	0	0
+T	T	19	19	19	0	0	0	0	0
+L	L	20	20	20	0	0	0	0	0
+L	L	21	21	21	0	0	0	0	0
+R	R	22	22	22	0	0	0	0	0
+H	H	23	23	23	0	0	0	0	0
+I	I	24	24	24	0	0	0	0	0
+L	L	25	25	25	0	0	0	0	0
+N	N	26	26	26	0	0	0	0	0
+E	E	27	27	27	0	0	0	0	0
+Q	Q	28	28	28	0	0	0	0	0
+H	H	29	29	29	0	0	0	0	0
+G	G	30	30	30	0	0	0	0	0
+Y	Y	31	31	31	0	0	0	0	0
+K	K	32	32	32	0	0	0	0	0
+I	I	33	33	33	0	0	0	0	0
+A	A	34	34	34	0	0	0	0	0
+V	V	35	35	35	0	0	0	0	0
+I	I	36	36	36	0	0	0	0	0
+E	E	37	37	37	0	0	0	0	0
+N	N	38	38	38	0	0	0	0	0
+E	E	39	39	39	0	0	0	0	0
+F	F	40	40	40	0	0	0	0	0
+G	G	41	41	41	0	0	0	0	0
+E	E	42	42	42	0	0	0	0	0
+V	V	43	43	43	0	0	0	0	0
+S	S	44	44	44	0	0	0	0	0
+V	V	45	45	45	0	0	0	0	0
+D	D	46	46	46	0	0	0	0	0
+D	D	47	47	47	0	0	0	0	0
+Q	Q	48	48	48	0	0	0	0	0
+L	L	49	49	49	0	0	0	0	0
+I	I	50	50	50	0	0	0	0	0
+G	G	51	51	51	0	0	0	0	0
+D	D	52	52	52	0	0	0	0	0
+R	R	53	53	53	0	0	0	0	0
+A	A	54	54	54	0	0	0	0	0
+T	T	55	55	55	0	0	0	0	0
+Q	Q	56	56	56	0	0	0	0	0
+I	I	57	57	57	0	0	0	0	0
+K	K	58	58	58	0	0	0	0	0
+T	T	59	59	59	0	0	0	0	0
+L	L	60	60	60	0	0	0	0	0
+T	T	61	61	61	0	0	0	0	0
+N	N	62	62	62	0	0	0	0	0
+G	G	63	63	63	0	0	0	0	0
+C	C	64	64	64	0	0	0	0	0
+I	I	65	65	65	0	0	0	0	0
+C	C	66	66	66	0	0	0	0	0
+C	C	67	67	67	0	0	0	0	0
+S	S	68	68	68	0	0	0	0	0
+R	R	69	69	69	0	0	0	0	0
+S	S	70	70	70	0	0	0	0	0
+N	N	71	71	71	0	0	0	0	0
+E	E	72	72	72	0	0	0	0	0
+L	L	73	73	73	0	0	0	0	0
+E	E	74	74	74	0	0	0	0	0
+D	D	75	75	75	0	0	0	0	0
+A	A	76	76	76	0	0	0	0	0
+L	L	77	77	77	0	0	0	0	0
+L	L	78	78	78	0	0	0	0	0
+D	D	79	79	79	0	0	0	0	0
+L	L	80	80	80	0	0	0	0	0
+L	L	81	81	81	0	0	0	0	0
+D	D	82	82	82	0	0	0	0	0
+N	N	83	83	83	0	0	0	0	0
+L	L	84	84	84	0	0	0	0	0
+D	D	85	85	85	0	0	0	0	0
+K	K	86	86	86	0	0	0	0	0
+G	G	87	87	87	0	0	0	0	0
+N	N	88	88	88	0	0	0	0	0
+I	I	89	89	89	0	0	0	0	0
+Q	Q	90	90	90	0	0	0	0	0
+F	F	91	91	91	0	0	0	0	0
+D	D	92	92	92	0	0	0	0	0
+R	R	93	93	93	0	0	0	0	0
+L	L	94	94	94	0	0	0	0	0
+V	V	95	95	95	0	0	0	0	0
+I	I	96	96	96	0	0	0	0	0
+E	E	97	97	97	0	0	0	0	0
+C	C	98	98	98	0	0	0	0	0
+T	T	99	99	99	0	0	0	0	0
+G	G	100	100	100	0	0	0	0	0
+M	M	101	101	101	0	0	0	0	0
+A	A	102	102	102	0	0	0	0	0
+D	D	103	103	103	0	0	0	0	0
+P	P	104	104	104	0	0	0	0	0
+G	G	105	105	105	0	0	0	0	0
+P	P	106	106	106	0	0	0	0	0
+I	I	107	107	107	0	0	0	0	0
+I	I	108	108	108	0	0	0	0	0
+Q	Q	109	109	109	0	0	0	0	0
+T	T	110	110	110	0	0	0	0	0
+F	F	111	111	111	0	0	0	0	0
+F	F	112	112	112	0	0	0	0	0
+S	S	113	113	113	0	0	0	0	0
+H	H	114	114	114	0	0	0	0	0
+E	E	115	115	115	0	0	0	0	0
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+I	I	300	300	300	0	0	0	0	0
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+I	I	302	302	302	0	0	0	0	0
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+I	I	309	309	309	0	0	0	0	0
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+A	A	311	311	311	0	0	0	0	0
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+A	A	314	314	314	0	0	0	0	0
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+L	L	316	316	316	0	0	0	0	0
+R	R	317	317	317	0	0	0	0	0
+K	K	318	318	318	0	0	0	0	0

atlas_1000_analysis/1nij_A/1nij_A_gyrate.tsv

@@ -0,0 +1,1001 @@
+time	gyr_R1	gyr_R2	gyr_R3
+0.1	21.14	21.24	21.32
+0.2	21.32	21.4	21.34
+0.3	21.18	21.45	21.17
+0.4	21.23	21.44	21.18
+0.5	21.18	21.44	21.29
+0.6	21.09	21.4	21.24
+0.7	21.19	21.4	21.17
+0.8	21.16	21.25	21.13
+0.9	21.31	21.24	21.27
+1.0	21.16	21.43	21.22
+1.1	21.22	21.28	21.06
+1.2	21.22	21.29	21.22
+1.3	21.2	21.28	21.12
+1.4	21.19	21.28	21.27
+1.5	21.2	21.29	21.17
+1.6	21.18	21.38	21.19
+1.7	21.2	21.2	21.17
+1.8	21.03	21.42	21.11
+1.9	21.11	21.15	21.13
+2.0	21.26	21.36	21.11
+2.1	21.24	21.34	21.06
+2.2	21.17	21.4	21.12
+2.3	21.26	21.35	21.12
+2.4	21.14	21.32	21.1
+2.5	21.28	21.21	21.03
+2.6	21.15	21.35	21.08
+2.7	21.21	21.41	21.01
+2.8	21.24	21.43	21.16
+2.9	21.26	21.22	21.11
+3.0	21.2	21.3	21.18
+3.1	21.05	21.37	21.02
+3.2	21.16	21.27	21.26
+3.3	21.14	21.38	21.23
+3.4	21.04	21.29	21.25
+3.5	21.16	21.29	21.22
+3.6	21.13	21.4	21.3
+3.7	21.09	21.31	21.19
+3.8	21.07	21.13	21.26
+3.9	21.14	21.23	21.19
+4.0	21.24	21.22	21.21
+4.1	21.12	21.4	21.11
+4.2	21.32	21.24	21.2
+4.3	21.18	21.18	21.09
+4.4	21.16	21.27	21.1
+4.5	21.23	21.17	21.14
+4.6	21.08	21.32	21.08
+4.7	21.18	21.3	21.18
+4.8	21.22	21.24	21.05
+4.9	21.22	21.16	21.08
+5.0	21.12	21.14	21.19
+5.1	21.26	21.21	21.22
+5.2	21.23	21.31	21.03
+5.3	21.23	21.17	20.98
+5.4	21.19	21.36	21.19
+5.5	21.21	21.35	21.1
+5.6	21.25	21.16	21.14
+5.7	21.1	21.19	21.19
+5.8	21.08	21.3	21.12
+5.9	21.16	21.34	21.06
+6.0	21.0	21.23	21.08
+6.1	21.14	21.3	21.11
+6.2	21.27	21.29	21.02
+6.3	21.12	21.32	21.0
+6.4	21.03	21.21	21.1
+6.5	21.09	21.13	21.15
+6.6	21.12	21.19	21.22
+6.7	21.18	21.21	21.13
+6.8	21.13	21.13	21.12
+6.9	21.13	21.29	20.98
+7.0	21.08	21.17	21.09
+7.1	21.2	21.21	21.06
+7.2	21.12	21.27	21.15
+7.3	21.1	21.18	21.06
+7.4	21.22	21.25	21.07
+7.5	21.17	21.35	21.07
+7.6	21.18	21.26	21.1
+7.7	21.04	21.21	21.15
+7.8	21.16	21.18	21.14
+7.9	21.18	21.33	21.12
+8.0	21.08	21.34	21.07
+8.1	21.14	21.33	21.08
+8.2	21.08	21.38	21.07
+8.3	21.15	21.27	21.15
+8.4	21.07	21.29	21.08
+8.5	21.16	21.24	21.09
+8.6	21.1	21.27	20.97
+8.7	21.06	21.23	21.16
+8.8	21.19	21.28	21.04
+8.9	21.06	21.37	21.15
+9.0	21.11	21.41	21.06
+9.1	21.13	21.39	21.08
+9.2	21.12	21.33	21.08
+9.3	21.06	21.16	21.04
+9.4	21.16	21.25	21.02
+9.5	21.22	21.18	20.98
+9.6	21.11	21.26	21.08
+9.7	21.19	21.26	21.05
+9.8	21.24	21.14	21.05
+9.9	21.06	21.3	21.05
+10.0	21.13	21.27	21.08
+10.1	21.08	21.27	21.07
+10.2	21.09	21.29	21.01
+10.3	21.15	21.36	21.0
+10.4	21.17	21.3	21.05
+10.5	21.33	21.36	21.08
+10.6	21.2	21.23	21.17
+10.7	21.32	21.32	21.07
+10.8	21.25	21.19	21.09
+10.9	21.26	21.15	21.11
+11.0	21.34	21.27	21.11
+11.1	21.25	21.19	21.14
+11.2	21.29	21.19	21.12
+11.3	21.29	21.16	21.12
+11.4	21.4	21.34	21.1
+11.5	21.19	21.28	21.14
+11.6	21.22	21.27	21.07
+11.7	21.38	21.23	21.13
+11.8	21.17	21.22	21.04
+11.9	21.21	21.16	20.94
+12.0	21.22	21.22	21.06
+12.1	21.21	21.17	21.0
+12.2	21.24	21.21	21.03
+12.3	21.21	21.2	21.2
+12.4	21.22	21.21	21.14
+12.5	21.29	21.29	21.12
+12.6	21.21	21.09	21.28
+12.7	21.19	21.18	21.22
+12.8	21.18	21.24	21.12
+12.9	21.2	21.27	21.11
+13.0	21.11	21.05	21.15
+13.1	21.08	21.17	21.21
+13.2	21.18	21.14	21.13
+13.3	21.17	21.15	21.19
+13.4	21.1	21.21	21.12
+13.5	21.14	21.17	21.08
+13.6	21.21	21.19	21.21
+13.7	21.02	21.29	21.23
+13.8	21.2	21.26	21.2
+13.9	21.15	21.22	21.17
+14.0	21.18	21.12	21.14
+14.1	21.21	21.26	21.2
+14.2	21.19	21.23	21.16
+14.3	21.03	21.14	21.13
+14.4	21.25	21.26	21.08
+14.5	21.03	21.28	21.17
+14.6	21.1	21.24	21.21
+14.7	21.19	21.15	21.26
+14.8	21.01	21.27	21.1
+14.9	21.16	21.18	21.18
+15.0	21.23	21.15	21.1
+15.1	21.13	21.26	21.1
+15.2	21.11	21.21	21.14
+15.3	21.14	21.23	21.2
+15.4	21.18	21.19	21.18
+15.5	21.22	21.24	21.21
+15.6	21.16	21.21	21.21
+15.7	21.25	21.24	21.17
+15.8	21.2	21.25	21.25
+15.9	21.16	21.24	21.28
+16.0	21.16	21.14	21.12
+16.1	21.13	21.16	21.08
+16.2	21.18	21.15	21.24
+16.3	21.21	21.1	21.11
+16.4	21.19	21.25	21.2
+16.5	21.22	21.34	21.16
+16.6	21.11	21.18	21.18
+16.7	21.21	21.2	21.23
+16.8	21.23	21.28	21.14
+16.9	21.23	21.26	21.24
+17.0	21.14	21.27	21.2
+17.1	21.05	21.28	21.19
+17.2	21.18	21.26	21.22
+17.3	21.12	21.22	21.28
+17.4	21.09	21.23	21.23
+17.5	21.09	21.24	21.13
+17.6	21.22	21.15	21.26
+17.7	21.15	21.23	21.05
+17.8	21.1	21.22	21.13
+17.9	21.1	21.18	21.08
+18.0	21.17	21.2	21.17
+18.1	21.13	21.22	21.14
+18.2	21.15	21.16	21.11
+18.3	21.03	21.11	21.05
+18.4	21.21	21.12	21.1
+18.5	21.16	21.16	21.12
+18.6	21.16	21.26	21.2
+18.7	21.19	21.17	21.17
+18.8	21.24	21.22	21.14
+18.9	21.22	21.23	21.18
+19.0	21.31	21.25	21.13
+19.1	21.17	21.08	21.11
+19.2	21.1	21.02	21.12
+19.3	21.26	21.25	21.16
+19.4	21.22	21.07	21.12
+19.5	21.1	21.12	21.1
+19.6	21.0	21.08	21.25
+19.7	21.02	21.11	21.16
+19.8	21.16	21.15	21.19
+19.9	21.19	21.26	21.13
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+65.5	21.19	21.29	21.23
+65.6	21.25	21.19	21.17
+65.7	21.1	21.16	21.14
+65.8	21.15	21.22	21.15
+65.9	21.13	21.23	21.19
+66.0	21.16	21.16	21.19
+66.1	21.09	21.28	21.2
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+66.7	21.07	21.23	21.24
+66.8	21.16	21.19	21.13
+66.9	21.05	21.08	21.26
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+67.4	21.08	21.21	21.29
+67.5	21.09	21.28	21.3
+67.6	21.11	21.17	21.24
+67.7	21.16	21.21	21.22
+67.8	21.22	21.19	21.4
+67.9	21.07	21.32	21.27
+68.0	21.17	21.19	21.28
+68.1	21.12	21.11	21.24
+68.2	21.22	21.16	21.27
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+68.4	21.14	21.24	21.38
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+68.6	21.1	21.17	21.16
+68.7	21.14	21.25	21.44
+68.8	21.3	21.25	21.2
+68.9	21.16	21.25	21.3
+69.0	21.23	21.26	21.29
+69.1	21.13	21.2	21.18
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+69.7	21.32	21.18	21.24
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+69.9	21.11	21.14	21.17
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+70.7	21.28	21.16	21.16
+70.8	21.16	21.3	21.42
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+71.6	21.26	21.26	21.13
+71.7	21.16	21.15	21.23
+71.8	21.2	21.19	21.18
+71.9	21.23	21.23	21.31
+72.0	21.28	21.15	21.04
+72.1	21.14	21.4	21.16
+72.2	21.1	21.12	21.26
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+77.9	21.36	21.16	21.05
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+86.9	21.15	21.22	21.07
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+98.1	21.3	21.22	20.99
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+98.4	21.11	21.09	21.13
+98.5	21.13	21.06	21.09
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+98.8	21.24	21.07	21.12
+98.9	21.24	21.1	21.13
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+99.1	21.27	21.18	21.32
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+99.8	21.26	21.13	21.17
+99.9	21.16	21.17	21.09
+100.0	21.2	21.2	20.97

atlas_1000_analysis/1nij_A/1nij_A_pLDDT.tsv

@@ -0,0 +1,319 @@
+seq	pLDDT
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