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+M	1.0	1.0	1.0
+S	1.0	1.0	1.0
+D	1.0	1.0	1.0
+I	1.0	1.0	1.0
+I	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+R	1.0	1.0	1.0
+L	1.0	1.0	1.0
+W	1.0	1.0	1.0
+K	1.207	1.236	1.217
+D	1.438	1.484	1.48
+S	1.004	1.007	1.007
+G	1.0	1.0	1.0
+I	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+A	1.0	1.0	1.0
+C	1.0	1.0	1.0
+F	1.0	1.0	1.0
+D	1.0	1.007	1.395
+R	1.004	1.029	1.56
+A	1.008	1.031	1.698
+S	1.409	1.406	2.412
+E	3.331	2.992	4.101
+Y	1.059	1.033	1.106
+Q	1.011	1.004	1.011
+L	1.0	1.0	1.0
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+D	1.0	1.002	1.001
+S	1.0	1.001	1.0
+A	1.0	1.002	1.001
+G	1.002	1.001	1.0
+Y	1.0	1.0	1.0
+Y	1.0	1.0	1.0
+L	1.001	1.009	1.0
+S	1.01	1.05	1.007
+D	1.0	1.0	1.0
+L	1.0	1.005	1.0
+E	1.059	1.139	1.015
+R	1.0	1.0	1.0
+L	1.0	1.014	1.025
+V	2.815	3.113	3.23
+T	1.08	1.0	1.001
+P	1.071	1.001	1.001
+G	1.079	1.0	1.0
+Y	1.073	1.0	1.0
+V	1.004	1.006	1.004
+P	1.0	1.0	1.0
+T	1.0	1.0	1.0
+E	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+D	1.0	1.0	1.0
+V	1.0	1.0	1.0
+L	1.0	1.0	1.0
+R	2.329	1.516	1.607
+S	1.268	1.226	2.043
+R	1.073	1.0	1.868
+V	1.313	2.013	2.236
+K	1.629	2.098	3.582
+T	1.077	2.665	3.901
+T	2.322	3.823	4.128
+G	1.119	2.167	3.482
+I	1.399	2.448	1.621
+I	1.004	1.003	1.54
+E	1.003	1.017	1.23
+T	1.002	1.0	1.198
+Q	1.0	1.0	1.237
+F	1.0	1.0	1.012
+S	1.182	1.0	1.0
+F	1.333	1.385	1.631
+K	1.003	1.0	1.002
+D	1.0	1.0	1.0
+L	1.0	1.0	1.0
+N	1.018	1.013	1.007
+F	1.0	1.0	1.0
+R	1.002	1.001	1.002
+M	1.0	1.0	1.0
+F	1.002	1.0	1.013
+D	1.001	1.001	1.016
+V	1.0	1.0	1.006
+G	1.0	1.001	1.042
+G	1.001	1.002	1.13
+Q	1.697	1.322	1.309
+R	1.142	1.089	1.066
+S	1.0	1.0	1.0
+E	1.001	1.0	1.0
+R	1.003	1.001	1.033
+K	1.026	1.001	1.03
+K	1.061	1.0	1.06
+W	1.037	1.001	1.065
+I	1.046	1.0	1.085
+H	1.023	1.007	1.11
+C	2.121	1.988	3.797
+F	1.963	1.645	1.235
+E	2.914	2.136	1.87
+G	2.709	2.036	1.647
+V	2.067	1.204	1.825
+T	1.003	1.003	1.003
+C	1.927	1.816	1.912
+I	1.0	1.0	1.0
+I	1.0	1.0	1.006
+F	1.0	1.0	1.0
+I	1.0	1.0	1.001
+A	1.0	1.0	1.0
+A	1.0	1.0	1.0
+L	1.245	1.088	1.093
+S	1.003	1.001	1.068
+A	1.067	1.007	1.063
+Y	1.534	1.313	1.338
+D	5.381	4.568	4.866
+M	1.132	1.054	1.034
+V	1.018	1.001	1.001
+L	2.082	1.002	1.006
+V	4.325	1.005	1.023
+E	4.142	1.818	2.736
+D	5.183	2.182	4.101
+D	4.517	2.11	4.784
+E	3.34	1.759	5.091
+V	2.3	1.238	2.881
+N	1.0	1.0	1.0
+R	1.0	1.0	1.0
+M	1.0	1.0	1.0
+H	1.0	1.0	1.0
+E	1.0	1.0	1.0
+S	1.0	1.0	1.0
+L	1.0	1.0	1.0
+H	1.0	1.0	1.0
+L	1.0	1.0	1.0
+F	1.0	1.0	1.001
+N	1.0	1.0	1.0
+S	1.0	1.0	1.0
+I	1.0	1.0	1.0
+C	1.004	1.005	1.004
+N	2.984	3.291	2.592
+H	2.184	1.935	2.187
+R	1.161	1.308	1.004
+Y	1.094	1.019	1.002
+F	1.116	1.017	1.001
+A	1.196	1.066	1.008
+T	4.518	3.488	4.182
+T	1.247	1.039	1.059
+S	1.007	1.031	1.004
+I	1.0	1.0	1.0
+V	1.0	1.0	1.0
+L	1.0	1.0	1.0
+F	1.0	1.003	1.0
+L	1.0	1.0	1.0
+N	1.0	1.0	1.0
+K	1.081	1.12	1.154
+K	1.002	1.009	1.01
+D	1.093	1.127	1.223
+V	1.0	1.0	1.0
+F	1.0	1.0	1.0
+S	1.0	1.0	1.0
+E	1.003	1.0	1.0
+K	1.003	1.0	1.0
+I	1.002	1.004	1.004
+K	2.603	1.122	1.059
+K	4.766	4.038	3.196
+A	2.712	1.221	1.166
+H	3.079	1.567	1.487
+L	2.494	1.001	1.0
+S	1.917	1.0	1.0
+I	1.0	1.007	1.025
+C	2.051	2.065	2.084
+F	1.013	1.101	1.178
+P	1.924	2.009	2.171
+D	2.014	2.064	2.169
+Y	3.377	2.368	3.487
+N	2.034	1.797	2.018
+G	2.716	1.188	1.73
+P	4.105	2.033	2.765
+N	2.592	1.94	2.02
+T	1.345	1.03	1.065
+Y	1.003	1.003	1.005
+E	1.0	1.0	1.0
+D	1.0	1.0	1.0
+A	1.0	1.0	1.0
+G	1.0	1.0	1.0
+N	1.0	1.0	1.0
+Y	1.0	1.0	1.0
+I	1.0	1.0	1.0
+K	1.0	1.0	1.0
+V	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+F	1.0	1.0	1.0
+L	1.0	1.0	1.0
+E	1.0	1.001	1.001
+L	1.996	2.935	2.443
+N	2.297	3.281	2.225
+M	2.916	2.72	2.808
+R	1.157	3.369	1.018
+R	1.333	3.323	1.083
+D	1.922	3.028	1.681
+V	3.769	3.191	4.106
+K	1.062	1.908	1.501
+E	1.0	1.007	1.003
+I	1.008	1.077	1.096
+Y	1.0	1.0	1.016
+S	1.0	1.001	1.017
+H	1.0	1.0	1.01
+M	1.0	1.0	1.001
+T	1.0	1.0	1.0
+C	1.0	1.0	1.0
+A	1.0	1.0	1.003
+T	1.679	1.51	1.687
+D	1.158	1.078	1.127
+T	1.387	1.571	1.459
+Q	1.0	1.0	1.0
+N	1.0	1.0	1.0
+V	1.0	1.0	1.0
+K	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
+D	1.0	1.0	1.0
+A	1.0	1.0	1.0
+V	1.0	1.0	1.0
+T	1.0	1.0	1.0
+D	1.0	1.0	1.0
+I	1.0	1.0	1.0
+I	1.0	1.0	1.0
+I	1.0	1.0	1.0
+K	1.0	1.0	1.0
+E	1.0	1.0	1.0
+N	1.0	1.0	1.0
+L	1.0	1.0	1.0
+K	1.0	1.0	1.0
+D	1.0	1.0	1.0
+C	1.0	1.0	1.0
+G	1.034	1.012	1.029
+L	1.0	1.0	1.0
+F	1.0	1.0	1.0

atlas_1000_analysis/1tag_A/1tag_A_RMSD.tsv

@@ -0,0 +1,1002 @@
+time	RMSD_R1	RMSD_R2	RMSD_R3
+0.0	0.0	0.0	0.0
+0.1	0.82	0.95	0.92
+0.2	1.0	1.06	0.99
+0.3	1.04	0.92	0.85
+0.4	1.25	0.98	1.15
+0.5	0.97	1.21	0.91
+0.6	1.1	1.17	0.93
+0.7	1.23	1.21	0.9
+0.8	1.05	1.13	0.84
+0.9	1.04	1.13	0.85
+1.0	0.88	1.32	1.09
+1.1	1.17	1.42	0.84
+1.2	0.96	1.28	1.08
+1.3	0.95	1.22	1.14
+1.4	0.95	0.99	0.91
+1.5	1.0	1.44	1.03
+1.6	0.93	1.58	1.04
+1.7	1.0	1.24	1.02
+1.8	0.89	1.28	1.1
+1.9	1.02	1.41	1.25
+2.0	1.07	1.32	1.07
+2.1	1.13	1.48	1.3
+2.2	1.16	1.5	1.25
+2.3	1.22	1.35	1.08
+2.4	1.28	1.55	1.2
+2.5	1.2	1.42	1.02
+2.6	1.21	1.6	1.22
+2.7	1.18	1.7	1.06
+2.8	1.47	1.35	0.93
+2.9	1.35	1.65	1.0
+3.0	1.28	1.9	1.07
+3.1	1.22	1.58	1.17
+3.2	1.37	1.74	1.3
+3.3	1.38	1.79	1.0
+3.4	1.52	1.54	0.98
+3.5	1.38	1.63	1.28
+3.6	1.4	1.73	1.02
+3.7	1.52	1.52	1.16
+3.8	1.36	1.35	1.07
+3.9	1.49	1.43	1.07
+4.0	1.41	1.63	1.14
+4.1	1.38	1.64	1.32
+4.2	1.34	1.31	1.25
+4.3	1.37	1.43	1.15
+4.4	1.45	1.35	1.05
+4.5	1.52	1.3	1.26
+4.6	1.65	1.43	1.13
+4.7	1.36	1.35	1.16
+4.8	1.32	1.44	1.13
+4.9	1.28	1.4	1.06
+5.0	1.3	1.56	1.25
+5.1	1.26	1.58	1.05
+5.2	1.3	1.34	1.12
+5.3	1.3	1.31	1.43
+5.4	1.27	1.83	1.14
+5.5	1.24	2.01	1.18
+5.6	1.24	1.78	1.29
+5.7	1.33	2.2	1.24
+5.8	1.33	2.03	1.44
+5.9	1.36	1.87	1.39
+6.0	1.4	1.67	1.36
+6.1	1.37	1.66	1.21
+6.2	1.43	1.92	1.15
+6.3	1.42	1.66	1.04
+6.4	1.51	1.82	1.12
+6.5	1.44	1.9	1.31
+6.6	1.57	1.75	1.14
+6.7	1.55	2.06	1.14
+6.8	1.55	2.26	1.48
+6.9	1.6	1.81	1.3
+7.0	1.67	2.15	1.5
+7.1	1.34	2.11	1.39
+7.2	1.45	2.0	1.55
+7.3	1.54	1.88	1.24
+7.4	1.43	2.03	1.49
+7.5	1.56	1.98	1.58
+7.6	1.65	2.0	1.29
+7.7	1.74	2.01	1.32
+7.8	1.5	1.95	1.17
+7.9	1.48	2.01	1.07
+8.0	1.63	2.08	1.3
+8.1	1.63	1.95	1.1
+8.2	1.42	1.85	1.11
+8.3	1.46	2.09	1.04
+8.4	1.92	2.08	1.19
+8.5	1.73	1.67	0.97
+8.6	1.95	1.86	1.08
+8.7	2.27	2.16	0.97
+8.8	1.98	1.97	1.33
+8.9	2.29	2.01	1.56
+9.0	2.7	2.04	1.24
+9.1	2.33	1.9	1.32
+9.2	2.07	1.91	1.44
+9.3	2.15	2.02	1.76
+9.4	2.39	1.96	1.51
+9.5	1.84	2.17	1.55
+9.6	1.72	2.06	1.79
+9.7	1.58	1.92	1.5
+9.8	1.91	1.9	1.39
+9.9	1.59	1.96	1.36
+10.0	1.51	2.04	1.42
+10.1	1.8	2.22	1.53
+10.2	1.6	2.25	1.44
+10.3	1.61	2.12	1.87
+10.4	1.8	1.99	1.95
+10.5	1.67	2.11	1.88
+10.6	1.6	1.95	1.6
+10.7	1.75	1.69	1.76
+10.8	1.38	2.08	2.02
+10.9	1.54	2.11	1.8
+11.0	1.57	2.01	1.71
+11.1	1.43	1.97	1.87
+11.2	1.71	2.2	1.9
+11.3	1.38	2.25	2.16
+11.4	1.69	2.19	2.24
+11.5	1.73	1.97	2.06
+11.6	1.47	1.89	1.79
+11.7	1.51	1.91	2.2
+11.8	1.58	1.88	1.98
+11.9	1.69	1.73	2.26
+12.0	1.76	1.87	2.06
+12.1	1.82	1.74	2.43
+12.2	1.87	1.81	2.25
+12.3	1.77	2.13	2.22
+12.4	1.69	1.89	2.32
+12.5	1.69	1.97	2.47
+12.6	1.94	1.81	2.29
+12.7	1.59	2.01	2.28
+12.8	1.5	1.83	2.62
+12.9	1.88	1.77	2.43
+13.0	1.81	1.92	2.26
+13.1	2.05	1.82	2.18
+13.2	2.02	2.14	2.12
+13.3	2.03	2.06	2.33
+13.4	1.66	1.76	1.97
+13.5	1.99	2.03	1.75
+13.6	2.25	2.0	1.77
+13.7	1.97	1.81	1.98
+13.8	2.42	1.99	1.81
+13.9	2.77	1.98	1.8
+14.0	2.7	1.86	1.91
+14.1	2.46	2.36	1.59
+14.2	2.48	1.8	1.99
+14.3	2.28	2.13	2.89
+14.4	2.21	1.96	2.11
+14.5	2.28	2.11	2.18
+14.6	2.1	2.06	2.33
+14.7	2.67	2.11	2.27
+14.8	2.5	1.96	2.54
+14.9	2.58	1.81	2.48
+15.0	2.48	1.97	2.09
+15.1	2.2	2.03	2.27
+15.2	2.01	2.0	1.97
+15.3	2.25	2.2	2.46
+15.4	2.4	1.95	2.47
+15.5	2.23	1.77	2.2
+15.6	2.82	1.66	1.89
+15.7	2.32	2.01	2.02
+15.8	2.12	1.59	2.03
+15.9	2.27	1.89	1.97
+16.0	2.39	1.81	2.3
+16.1	2.39	1.92	2.89
+16.2	2.26	1.77	2.85
+16.3	1.92	1.96	2.64
+16.4	1.94	1.76	2.84
+16.5	1.66	1.87	2.88
+16.6	1.96	1.6	2.73
+16.7	1.76	1.66	2.9
+16.8	2.13	1.6	2.55
+16.9	2.04	1.76	2.88
+17.0	2.07	1.61	2.38
+17.1	2.67	1.57	2.65
+17.2	2.1	1.52	2.82
+17.3	2.0	1.83	2.69
+17.4	2.27	1.66	2.47
+17.5	2.27	1.62	2.39
+17.6	1.97	1.54	2.24
+17.7	2.39	1.75	2.17
+17.8	3.22	1.55	2.33
+17.9	2.5	1.64	2.3
+18.0	2.51	1.61	2.26
+18.1	2.52	1.5	2.34
+18.2	2.69	1.66	2.62
+18.3	2.53	1.59	2.36
+18.4	2.79	1.61	2.68
+18.5	2.59	1.54	2.26
+18.6	2.63	1.97	2.25
+18.7	2.58	1.97	2.13
+18.8	2.16	1.7	2.36
+18.9	2.24	1.57	2.02
+19.0	2.04	1.88	1.92
+19.1	2.0	1.87	1.85
+19.2	1.94	2.01	2.02
+19.3	2.42	1.81	2.18
+19.4	1.75	2.01	2.33
+19.5	1.91	2.18	2.69
+19.6	1.97	1.61	2.56
+19.7	2.0	1.67	2.77
+19.8	1.92	1.91	2.61
+19.9	1.97	1.77	2.05
+20.0	1.75	1.75	2.32
+20.1	1.76	1.75	2.54
+20.2	1.77	1.53	2.56
+20.3	1.7	1.85	2.77
+20.4	1.89	1.55	2.35
+20.5	1.73	1.68	2.27
+20.6	1.84	1.77	2.11
+20.7	1.74	1.8	1.93
+20.8	2.13	1.75	2.07
+20.9	2.22	1.73	1.94
+21.0	2.18	1.78	2.01
+21.1	2.14	1.9	1.89
+21.2	1.73	1.77	2.05
+21.3	2.08	1.74	2.3
+21.4	1.92	1.9	2.32
+21.5	1.88	1.71	2.41
+21.6	2.16	1.81	2.61
+21.7	1.91	1.7	2.27
+21.8	1.96	1.74	2.23
+21.9	1.58	1.68	2.59
+22.0	1.57	2.07	2.65
+22.1	1.55	1.77	2.29
+22.2	1.82	2.17	2.51
+22.3	1.75	1.84	2.52
+22.4	1.8	2.19	2.97
+22.5	1.72	1.98	2.99
+22.6	1.67	1.82	2.28
+22.7	1.89	1.85	2.56
+22.8	1.85	2.38	2.74
+22.9	1.76	2.26	2.57
+23.0	1.75	2.75	2.91
+23.1	1.55	2.31	2.46
+23.2	1.67	2.27	2.54
+23.3	1.87	2.57	3.01
+23.4	1.63	2.32	2.82
+23.5	1.74	2.4	2.97
+23.6	1.61	2.29	2.69
+23.7	1.65	2.0	2.69
+23.8	1.83	2.23	2.79
+23.9	1.85	2.08	2.5
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+69.5	1.6	3.01	3.14
+69.6	1.52	2.9	3.27
+69.7	1.48	2.99	3.11
+69.8	1.88	2.55	2.96
+69.9	1.71	2.46	3.16
+70.0	1.83	2.31	3.0
+70.1	1.8	2.72	3.06
+70.2	1.62	2.63	2.83
+70.3	1.75	2.41	3.26
+70.4	1.67	2.6	3.27
+70.5	1.64	2.58	3.48
+70.6	1.98	2.42	3.33
+70.7	1.62	2.68	3.52
+70.8	1.52	3.19	3.18
+70.9	1.63	3.76	3.65
+71.0	1.66	2.76	3.26
+71.1	1.48	2.73	3.25
+71.2	1.65	2.81	3.18
+71.3	1.66	2.35	3.4
+71.4	1.6	2.41	3.43
+71.5	1.77	2.28	3.09
+71.6	1.57	2.33	3.3
+71.7	1.7	2.31	3.16
+71.8	1.79	2.09	3.16
+71.9	1.53	2.13	3.62
+72.0	1.76	2.19	3.25
+72.1	1.72	2.21	3.03
+72.2	1.66	1.93	3.05
+72.3	1.62	2.22	3.21
+72.4	1.6	2.15	3.08
+72.5	1.58	1.96	2.95
+72.6	1.67	2.31	3.12
+72.7	1.67	2.25	3.1
+72.8	1.55	2.19	2.97
+72.9	1.75	2.14	2.93
+73.0	1.64	1.85	3.15
+73.1	1.72	2.0	3.18
+73.2	1.57	1.92	2.93
+73.3	1.67	2.24	2.67
+73.4	1.62	2.16	3.19
+73.5	1.58	2.34	3.42
+73.6	1.75	2.43	3.24
+73.7	1.47	2.56	2.94
+73.8	1.62	2.72	3.28
+73.9	1.53	3.02	3.12
+74.0	1.58	2.77	3.34
+74.1	1.59	3.35	3.61
+74.2	1.49	3.49	3.11
+74.3	1.7	4.01	3.5
+74.4	1.64	3.63	2.84
+74.5	1.58	3.1	3.13
+74.6	1.53	3.5	2.99
+74.7	1.94	3.11	2.83
+74.8	1.68	3.42	2.78
+74.9	1.63	3.45	2.87
+75.0	1.6	3.37	3.16
+75.1	1.72	3.19	2.72
+75.2	1.77	3.57	2.87
+75.3	1.71	3.39	3.4
+75.4	1.68	3.22	3.38
+75.5	1.53	3.76	3.01
+75.6	1.66	3.46	3.2
+75.7	1.64	3.28	3.21
+75.8	1.53	3.3	3.45
+75.9	1.76	3.45	3.52
+76.0	1.79	3.0	3.69
+76.1	1.72	3.41	3.82
+76.2	1.66	3.38	3.53
+76.3	1.41	3.13	3.72
+76.4	1.51	2.92	3.88
+76.5	1.61	3.67	3.92
+76.6	1.51	3.34	4.11
+76.7	1.48	3.9	3.53
+76.8	1.71	3.95	3.51
+76.9	1.56	4.48	4.32
+77.0	1.45	3.85	3.96
+77.1	1.64	3.77	3.4
+77.2	1.65	3.67	3.45
+77.3	1.48	3.59	3.05
+77.4	1.54	3.81	3.49
+77.5	1.56	3.72	3.13
+77.6	1.57	3.58	3.36
+77.7	1.49	3.92	3.41
+77.8	1.58	3.77	3.18
+77.9	1.62	3.71	3.71
+78.0	1.47	3.81	3.41
+78.1	1.54	3.94	3.26
+78.2	1.65	3.44	3.16
+78.3	1.51	3.92	3.05
+78.4	1.45	4.11	2.99
+78.5	1.6	4.05	3.17
+78.6	1.58	4.41	3.24
+78.7	1.52	4.4	3.22
+78.8	1.46	4.46	2.89
+78.9	1.45	4.28	2.91
+79.0	1.57	4.1	2.67
+79.1	1.44	4.6	2.8
+79.2	1.48	4.16	2.67
+79.3	1.71	4.24	2.5
+79.4	1.58	4.39	2.55
+79.5	1.64	4.2	3.12
+79.6	1.57	4.45	2.65
+79.7	1.62	4.48	2.52
+79.8	1.63	4.8	2.65
+79.9	1.69	4.43	2.7
+80.0	1.57	4.23	3.2
+80.1	1.45	3.67	3.31
+80.2	1.45	3.6	3.09
+80.3	1.54	3.6	2.99
+80.4	1.58	4.04	3.48
+80.5	1.5	4.45	3.62
+80.6	1.54	4.6	3.36
+80.7	1.59	3.84	3.11
+80.8	1.4	3.92	3.43
+80.9	1.46	3.57	2.99
+81.0	1.5	3.4	3.05
+81.1	1.45	3.42	2.67
+81.2	1.5	3.59	2.99
+81.3	1.52	3.44	2.92
+81.4	1.47	3.47	3.02
+81.5	1.51	3.63	2.56
+81.6	1.5	2.93	2.63
+81.7	1.5	2.92	2.91
+81.8	1.57	2.8	2.68
+81.9	1.48	3.06	3.11
+82.0	1.54	2.63	2.91
+82.1	1.47	2.82	3.37
+82.2	1.51	3.13	3.25
+82.3	1.65	2.86	3.64
+82.4	1.46	3.02	3.1
+82.5	1.51	3.14	3.21
+82.6	1.54	3.11	3.52
+82.7	1.7	3.14	3.24
+82.8	1.64	3.07	3.02
+82.9	1.58	2.79	2.94
+83.0	1.54	2.57	3.22
+83.1	1.7	2.84	3.65
+83.2	1.76	2.91	3.27
+83.3	1.66	2.74	3.14
+83.4	1.65	2.49	3.25
+83.5	1.48	2.71	2.62
+83.6	1.43	3.06	2.63
+83.7	1.55	3.01	2.77
+83.8	1.47	2.44	3.1
+83.9	1.5	2.6	3.02
+84.0	1.36	2.4	2.52
+84.1	1.45	2.52	2.5
+84.2	1.7	2.44	2.4
+84.3	1.71	2.61	2.75
+84.4	1.55	2.7	3.05
+84.5	1.57	2.67	2.98
+84.6	1.76	2.38	3.07
+84.7	1.67	2.84	2.99
+84.8	1.52	2.35	3.02
+84.9	1.49	2.44	2.86
+85.0	1.49	2.89	2.59
+85.1	1.61	2.25	2.5
+85.2	1.47	2.04	2.37
+85.3	1.59	2.12	2.41
+85.4	1.57	2.25	2.31
+85.5	1.82	2.09	2.18
+85.6	1.94	2.09	1.99
+85.7	1.76	2.21	2.09
+85.8	1.71	1.97	2.22
+85.9	1.79	1.73	2.09
+86.0	1.62	1.96	2.18
+86.1	1.69	2.14	2.45
+86.2	1.9	2.12	2.3
+86.3	1.62	2.43	2.55
+86.4	1.85	2.55	2.23
+86.5	1.77	2.49	2.42
+86.6	2.4	2.62	2.33
+86.7	1.84	2.45	2.2
+86.8	2.01	2.82	2.55
+86.9	1.76	2.72	2.5
+87.0	2.15	2.48	2.32
+87.1	1.9	2.45	2.35
+87.2	1.79	2.46	2.41
+87.3	1.96	2.32	2.15
+87.4	1.79	2.34	2.33
+87.5	1.66	2.41	2.2
+87.6	1.85	2.57	2.21
+87.7	1.7	2.95	2.38
+87.8	1.95	2.74	2.02
+87.9	1.68	2.92	2.26
+88.0	1.67	3.46	2.21
+88.1	1.6	3.03	2.08
+88.2	1.58	3.42	2.0
+88.3	1.71	3.76	2.16
+88.4	1.67	3.58	2.04
+88.5	1.77	2.77	2.07
+88.6	1.64	2.21	2.09
+88.7	1.74	2.31	1.75
+88.8	1.71	2.17	1.99
+88.9	1.6	2.38	2.02
+89.0	1.59	2.21	2.16
+89.1	1.59	1.98	2.2
+89.2	1.58	2.26	2.13
+89.3	1.58	2.02	2.21
+89.4	1.71	2.39	2.18
+89.5	1.72	2.03	2.1
+89.6	1.59	2.21	2.13
+89.7	1.79	2.03	1.94
+89.8	1.74	2.75	2.21
+89.9	1.52	2.31	2.09
+90.0	1.6	2.29	2.18
+90.1	1.53	2.19	2.18
+90.2	1.75	2.63	2.23
+90.3	1.7	2.22	2.16
+90.4	1.64	2.23	1.98
+90.5	1.51	1.95	2.02
+90.6	1.84	1.98	2.05
+90.7	1.67	1.89	2.1
+90.8	1.77	2.06	2.18
+90.9	1.75	2.0	2.02
+91.0	1.76	1.9	1.92
+91.1	1.78	2.22	2.15
+91.2	1.71	1.95	2.12
+91.3	1.64	2.24	2.18
+91.4	1.68	2.26	2.07
+91.5	1.56	2.18	2.01
+91.6	1.68	2.3	2.07
+91.7	1.63	2.18	2.08
+91.8	1.82	2.12	2.16
+91.9	1.7	1.99	2.04
+92.0	1.62	2.19	2.36
+92.1	1.67	1.96	2.24
+92.2	1.61	2.07	2.25
+92.3	1.57	2.32	2.1
+92.4	1.65	2.22	2.01
+92.5	1.5	2.35	1.95
+92.6	1.58	2.29	2.03
+92.7	1.63	2.35	1.9
+92.8	1.77	2.4	1.93
+92.9	1.79	2.59	1.99
+93.0	1.88	2.54	2.16
+93.1	1.76	2.87	2.25
+93.2	1.68	2.39	2.17
+93.3	1.63	2.2	2.12
+93.4	1.75	2.17	2.3
+93.5	1.66	2.47	2.36
+93.6	1.62	2.4	2.12
+93.7	1.64	2.35	2.37
+93.8	1.68	2.34	2.31
+93.9	1.58	2.55	2.39
+94.0	1.65	2.37	2.61
+94.1	1.68	2.63	2.39
+94.2	1.79	2.37	2.46
+94.3	1.62	2.47	2.19
+94.4	1.66	2.47	2.37
+94.5	1.67	2.51	2.46
+94.6	1.71	2.65	2.45
+94.7	1.79	2.73	2.31
+94.8	1.78	2.78	2.33
+94.9	1.66	2.67	2.45
+95.0	1.79	2.05	2.46
+95.1	1.66	2.52	2.32
+95.2	1.65	2.54	2.37
+95.3	1.77	2.33	2.22
+95.4	1.67	2.65	2.32
+95.5	1.87	2.74	2.22
+95.6	1.71	2.42	2.35
+95.7	1.81	2.64	1.98
+95.8	1.8	2.73	1.98
+95.9	1.77	2.92	2.11
+96.0	2.0	2.6	2.04
+96.1	1.76	2.79	2.2
+96.2	1.57	2.82	1.97
+96.3	1.74	2.52	2.09
+96.4	1.89	2.13	2.14
+96.5	1.76	2.46	2.12
+96.6	1.76	2.69	2.12
+96.7	1.83	3.46	1.99
+96.8	2.04	2.81	1.95
+96.9	1.78	2.67	2.06
+97.0	1.89	2.58	2.29
+97.1	1.81	2.42	2.16
+97.2	1.81	2.52	2.35
+97.3	1.71	2.91	2.09
+97.4	1.76	2.34	2.29
+97.5	1.79	2.74	2.52
+97.6	1.7	2.39	2.83
+97.7	1.57	2.49	2.65
+97.8	1.77	2.24	2.4
+97.9	1.8	2.32	2.31
+98.0	1.76	2.45	2.22
+98.1	1.74	2.63	1.98
+98.2	1.84	2.39	2.06
+98.3	1.72	2.44	2.16
+98.4	1.71	2.51	2.32
+98.5	1.85	2.52	2.47
+98.6	1.65	2.72	2.26
+98.7	1.8	2.77	2.0
+98.8	1.87	2.46	2.18
+98.9	1.7	2.46	1.96
+99.0	1.81	2.52	2.13
+99.1	1.72	2.37	2.31
+99.2	1.8	2.16	2.43
+99.3	2.11	2.49	2.54
+99.4	1.66	2.28	2.74
+99.5	1.84	1.91	2.53
+99.6	1.73	2.08	2.55
+99.7	1.82	1.9	3.19
+99.8	1.76	1.87	2.39
+99.9	1.87	1.92	2.73
+100.0	1.74	1.89	2.83

atlas_1000_analysis/1tag_A/1tag_A_RMSF.tsv

@@ -0,0 +1,325 @@
+seq	RMSF_R1	RMSF_R2	RMSF_R3
+A	1.97	2.02	2.91
+R	1.32	1.51	2.08
+T	1.08	1.31	1.25
+V	0.86	1.07	0.98
+K	0.73	1.01	0.89
+L	0.71	0.82	0.83
+L	0.71	0.85	0.9
+L	0.65	0.76	0.79
+L	0.68	0.91	0.86
+G	0.71	1.02	1.01
+A	0.79	1.14	1.24
+G	1.2	2.1	1.55
+E	1.16	1.59	1.47
+S	0.86	1.22	1.16
+G	0.94	1.31	1.16
+K	0.84	1.28	1.12
+S	0.99	1.34	1.14
+T	0.94	1.21	1.05
+I	0.82	1.2	0.89
+V	0.89	1.26	0.9
+K	0.92	1.07	0.97
+Q	0.8	1.06	0.9
+M	0.78	1.2	0.81
+K	0.88	1.08	0.94
+I	0.89	0.94	1.04
+I	0.87	1.09	0.99
+H	0.92	1.14	0.97
+Q	1.07	1.23	1.09
+D	1.26	1.4	1.34
+G	1.13	1.29	1.39
+Y	1.12	1.28	1.39
+S	1.27	1.59	1.47
+L	1.26	1.65	1.45
+E	1.36	1.82	1.55
+E	1.19	1.5	1.44
+C	1.02	1.2	1.32
+L	1.21	1.47	1.48
+E	1.3	1.56	1.69
+F	1.08	1.21	1.49
+I	1.04	1.12	1.33
+A	1.06	1.26	1.38
+I	0.97	1.16	1.36
+I	0.78	0.86	1.09
+Y	0.76	0.94	1.05
+G	0.88	1.05	1.28
+N	0.83	0.9	1.16
+T	0.65	0.82	0.9
+L	0.69	0.98	1.07
+Q	0.81	0.99	1.26
+S	0.74	0.92	1.08
+I	0.65	0.96	1.01
+L	0.73	1.06	1.22
+A	0.87	1.1	1.32
+I	0.88	1.13	1.24
+V	0.86	1.25	1.32
+R	1.0	1.34	1.55
+A	1.16	1.39	1.63
+M	1.22	1.52	1.66
+T	1.44	1.79	1.98
+T	1.58	1.84	2.11
+L	1.68	1.92	2.14
+N	1.71	2.07	2.19
+I	1.59	2.01	1.98
+Q	1.64	2.26	2.03
+Y	1.56	2.26	1.86
+G	1.84	2.76	2.09
+D	1.9	2.72	2.15
+S	2.02	2.8	2.23
+A	1.8	2.59	2.12
+R	1.41	2.08	1.74
+Q	1.4	2.08	1.86
+D	1.5	2.24	1.94
+D	1.28	1.94	1.64
+A	1.09	1.66	1.53
+R	1.32	1.92	1.82
+K	1.34	1.99	1.79
+L	1.06	1.61	1.5
+M	1.22	1.69	1.75
+H	1.51	2.07	2.05
+M	1.4	1.94	1.88
+A	1.3	1.74	1.81
+D	1.78	2.19	2.28
+T	1.94	2.39	2.34
+I	1.74	2.12	1.96
+E	2.12	2.34	2.61
+E	2.44	2.21	3.15
+G	2.19	1.84	3.26
+T	1.64	1.73	2.5
+M	1.21	1.56	1.65
+P	1.39	1.88	1.78
+K	1.47	2.0	1.75
+E	1.42	2.08	1.77
+M	1.16	1.67	1.47
+S	1.06	1.53	1.27
+D	1.24	1.81	1.43
+I	1.13	1.7	1.37
+I	0.9	1.37	1.09
+Q	1.12	1.6	1.22
+R	1.29	1.87	1.46
+L	1.09	1.6	1.29
+W	1.1	1.52	1.2
+K	1.49	1.94	1.55
+D	1.49	1.98	1.65
+S	1.73	2.18	1.88
+G	1.54	1.92	1.75
+I	1.23	1.57	1.43
+Q	1.48	1.79	1.59
+A	1.68	1.94	1.82
+C	1.41	1.61	1.62
+F	1.35	1.51	1.48
+D	1.75	1.97	1.84
+R	1.74	1.98	1.94
+A	1.56	1.72	2.15
+S	1.87	2.2	2.26
+E	1.89	2.16	2.23
+Y	1.56	1.79	1.97
+Q	1.46	1.8	1.9
+L	1.17	1.37	1.48
+N	1.22	1.36	1.31
+D	1.32	1.32	1.29
+S	1.03	1.15	1.31
+A	0.86	1.1	1.1
+G	1.04	1.35	1.16
+Y	0.95	1.09	1.03
+Y	0.76	0.86	0.8
+L	0.8	1.11	0.86
+S	1.04	1.36	1.1
+D	0.99	1.2	0.98
+L	0.88	1.21	0.86
+E	1.07	1.46	1.08
+R	1.05	1.25	1.01
+L	0.87	1.06	0.88
+V	1.09	1.44	1.13
+T	1.36	1.7	1.34
+P	1.6	1.88	1.57
+G	1.62	1.86	1.6
+Y	1.23	1.38	1.26
+V	1.22	1.33	1.41
+P	1.01	1.03	1.26
+T	1.09	1.01	1.35
+E	1.22	1.06	1.59
+Q	1.07	0.97	1.36
+D	0.83	0.77	1.1
+V	0.94	0.88	1.36
+L	0.99	1.01	1.41
+R	0.95	0.94	1.14
+S	1.0	0.88	1.15
+R	1.26	1.06	1.33
+V	1.62	1.63	2.17
+K	2.01	1.86	1.93
+T	1.82	1.98	3.87
+T	1.5	2.14	4.5
+G	1.18	1.66	4.84
+I	0.98	1.36	3.86
+I	1.02	1.32	2.98
+E	0.97	1.24	2.05
+T	1.05	1.26	1.22
+Q	0.97	1.24	0.91
+F	0.94	1.25	0.83
+S	1.0	1.2	0.93
+F	0.98	0.98	0.96
+K	1.37	1.02	1.32
+D	1.32	1.27	1.41
+L	1.06	1.14	1.2
+N	0.98	1.17	0.94
+F	0.8	1.06	0.8
+R	0.8	1.06	0.89
+M	0.76	0.98	0.93
+F	0.75	1.03	1.18
+D	0.78	1.08	1.27
+V	0.93	1.34	1.56
+G	1.11	1.65	1.9
+G	1.16	1.96	1.95
+Q	1.1	1.84	2.19
+R	1.33	2.04	2.3
+S	1.58	2.16	2.82
+E	1.28	1.77	2.67
+R	1.26	1.5	2.29
+K	1.53	1.83	2.88
+K	1.46	1.85	2.78
+W	1.33	1.43	2.13
+I	1.52	2.06	2.49
+H	1.62	2.12	3.16
+C	1.53	1.33	2.7
+F	1.6	1.6	2.01
+E	1.86	1.31	1.85
+G	1.28	1.26	1.45
+V	0.84	1.02	1.09
+T	0.81	1.0	1.14
+C	0.71	0.77	0.89
+I	0.6	0.69	0.78
+I	0.51	0.57	0.64
+F	0.48	0.58	0.66
+I	0.58	0.72	0.76
+A	0.71	0.77	0.9
+A	0.76	1.08	1.09
+L	0.84	1.27	1.31
+S	0.99	1.82	1.58
+A	0.89	1.59	1.47
+Y	0.88	1.55	1.45
+D	1.15	2.02	1.82
+M	1.12	1.95	1.85
+V	1.18	1.86	2.34
+L	1.34	2.36	2.93
+V	2.09	3.44	4.35
+E	2.62	4.0	4.97
+D	2.71	3.28	4.46
+D	2.86	2.87	4.52
+E	2.3	2.57	3.65
+V	1.5	1.83	2.48
+N	0.99	1.25	1.78
+R	0.79	1.22	1.55
+M	0.71	0.9	1.32
+H	0.72	0.83	1.4
+E	0.71	0.98	1.41
+S	0.61	0.79	1.14
+L	0.59	0.67	1.13
+H	0.69	0.88	1.28
+L	0.63	0.85	1.17
+F	0.56	0.68	1.01
+N	0.7	0.91	1.23
+S	0.8	1.04	1.36
+I	0.78	1.03	1.34
+C	1.12	1.33	1.31
+N	1.43	1.51	1.23
+H	1.06	1.28	1.4
+R	1.22	1.84	1.63
+Y	1.16	1.54	1.7
+F	0.99	1.38	1.46
+A	1.43	1.61	1.53
+T	1.54	1.5	1.53
+T	1.04	1.13	1.33
+S	0.96	0.9	1.18
+I	0.64	0.65	0.79
+V	0.54	0.49	0.59
+L	0.55	0.51	0.61
+F	0.61	0.66	0.71
+L	0.74	0.82	0.83
+N	0.86	1.06	0.92
+K	0.96	1.54	1.09
+K	1.02	1.61	1.21
+D	1.34	2.08	1.54
+V	1.36	2.18	1.58
+F	1.18	2.02	1.4
+S	1.4	2.31	1.61
+E	1.83	2.66	1.87
+K	1.86	2.53	1.78
+I	1.62	2.49	1.66
+K	1.78	2.97	1.95
+K	1.93	3.08	2.09
+A	2.59	3.04	2.23
+H	1.57	2.89	2.16
+L	1.32	2.35	1.81
+S	1.6	2.7	2.0
+I	1.65	3.18	2.48
+C	1.4	2.56	2.42
+F	1.33	1.86	1.96
+P	1.56	2.17	2.01
+D	1.6	1.95	1.98
+Y	1.5	2.02	1.67
+N	1.98	2.62	2.02
+G	2.58	2.68	2.0
+P	2.5	2.96	1.97
+N	1.67	2.83	1.81
+T	1.52	2.83	1.73
+Y	1.32	2.39	1.52
+E	1.27	2.24	1.43
+D	1.25	2.22	1.36
+A	1.1	1.93	1.21
+G	0.98	1.63	1.11
+N	0.98	1.6	1.09
+Y	0.94	1.43	1.03
+I	0.81	1.14	0.96
+K	0.8	1.09	0.94
+V	0.83	1.18	0.95
+Q	0.77	0.92	0.97
+F	0.67	0.81	0.95
+L	0.79	1.09	0.99
+E	0.87	1.19	1.12
+L	0.77	1.04	1.09
+N	0.83	1.23	1.13
+M	1.15	1.66	1.53
+R	1.16	2.69	1.74
+R	1.31	4.09	1.71
+D	1.83	3.26	2.21
+V	1.73	2.88	2.3
+K	1.38	1.89	2.12
+E	1.19	1.51	1.52
+I	0.76	0.98	0.9
+Y	0.75	0.82	0.77
+S	0.78	0.77	0.75
+H	0.8	0.86	0.83
+M	0.92	1.01	0.94
+T	0.93	1.05	0.95
+C	1.11	1.24	1.18
+A	0.96	1.18	1.15
+T	1.14	1.45	1.33
+D	1.1	1.45	1.28
+T	0.97	1.36	1.13
+Q	1.14	1.36	1.23
+N	1.04	1.18	1.1
+V	0.83	0.97	0.88
+K	0.91	1.04	0.95
+F	1.07	1.05	1.06
+V	0.93	0.87	0.89
+F	0.8	0.75	0.79
+D	0.93	0.82	0.97
+A	0.99	0.86	0.99
+V	0.9	0.7	0.86
+T	0.83	0.67	0.84
+D	0.88	0.85	1.0
+I	0.96	0.9	1.11
+I	1.03	0.85	1.11
+I	1.03	0.96	1.18
+K	1.19	1.16	1.64
+E	1.4	1.24	1.97
+N	1.54	1.36	2.16
+L	1.64	1.54	2.4
+K	1.93	1.78	2.95
+D	2.23	1.94	3.36
+C	2.42	2.1	3.55
+G	2.58	2.33	3.88
+L	2.32	2.17	3.44
+F	2.28	2.1	3.42

atlas_1000_analysis/1tag_A/1tag_A_contacts.tsv

@@ -0,0 +1,325 @@
+seq	nb_chain	nb_ligand	nb_ion	nb_nucleotide	name_chain	name_ligand	name_ion	name_nucleotide
+A	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+G	0	1	0	0	-	A:GDP,351	-	-
+E	0	1	0	0	-	A:GDP,351	-	-
+S	0	1	0	0	-	A:GDP,351	-	-
+G	0	1	0	0	-	A:GDP,351	-	-
+K	0	1	1	0	-	A:GDP,351	A:MG,352	-
+S	0	1	1	0	-	A:GDP,351	A:MG,352	-
+T	0	1	0	0	-	A:GDP,351	-	-
+I	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+C	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+W	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+C	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+D	0	1	0	0	-	A:GDP,351	-	-
+S	0	1	0	0	-	A:GDP,351	-	-
+A	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+L	0	1	0	0	-	A:GDP,351	-	-
+R	0	1	0	0	-	A:GDP,351	-	-
+S	0	1	0	0	-	A:GDP,351	-	-
+R	0	1	0	0	-	A:GDP,351	-	-
+V	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+W	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+C	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+C	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+C	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+N	0	1	0	0	-	A:GDP,351	-	-
+K	0	1	0	0	-	A:GDP,351	-	-
+K	0	1	0	0	-	A:GDP,351	-	-
+D	0	1	0	0	-	A:GDP,351	-	-
+V	0	1	0	0	-	A:GDP,351	-	-
+F	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
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+K	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+C	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
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atlas_1000_analysis/1tag_A/1tag_A_corresp.tsv

@@ -0,0 +1,325 @@
+UnP_seq	PDB_seq	PDB_num	CIF_num	UnP_num	gap	hetatm	corrected	no_fullbb	no_ca
+A	A	27	1	1	0	0	0	0	0
+R	R	28	2	2	0	0	0	0	0
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+L	L	33	7	7	0	0	0	0	0
+L	L	34	8	8	0	0	0	0	0
+L	L	35	9	9	0	0	0	0	0
+G	G	36	10	10	0	0	0	0	0
+A	A	37	11	11	0	0	0	0	0
+G	G	38	12	12	0	0	0	0	0
+E	E	39	13	13	0	0	0	0	0
+S	S	40	14	14	0	0	0	0	0
+G	G	41	15	15	0	0	0	0	0
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+I	I	45	19	19	0	0	0	0	0
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+K	K	50	24	24	0	0	0	0	0
+I	I	51	25	25	0	0	0	0	0
+I	I	52	26	26	0	0	0	0	0
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+G	G	56	30	30	0	0	0	0	0
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+S	S	58	32	32	0	0	0	0	0
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+E	E	60	34	34	0	0	0	0	0
+E	E	61	35	35	0	0	0	0	0
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+E	E	64	38	38	0	0	0	0	0
+F	F	65	39	39	0	0	0	0	0
+I	I	66	40	40	0	0	0	0	0
+A	A	67	41	41	0	0	0	0	0
+I	I	68	42	42	0	0	0	0	0
+I	I	69	43	43	0	0	0	0	0
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+S	S	76	50	50	0	0	0	0	0
+I	I	77	51	51	0	0	0	0	0
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+I	I	80	54	54	0	0	0	0	0
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+A	A	83	57	57	0	0	0	0	0
+M	M	84	58	58	0	0	0	0	0
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+T	T	86	60	60	0	0	0	0	0
+L	L	87	61	61	0	0	0	0	0
+N	N	88	62	62	0	0	0	0	0
+I	I	89	63	63	0	0	0	0	0
+Q	Q	90	64	64	0	0	0	0	0
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+G	G	92	66	66	0	0	0	0	0
+D	D	93	67	67	0	0	0	0	0
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+E	-	342	316	316	1	0	0	0	0
+N	-	343	317	317	1	0	0	0	0
+L	-	344	318	318	1	0	0	0	0
+K	-	345	319	319	1	0	0	0	0
+D	-	346	320	320	1	0	0	0	0
+C	-	347	321	321	1	0	0	0	0
+G	-	348	322	322	1	0	0	0	0
+L	-	349	323	323	1	0	0	0	0
+F	-	350	324	324	1	0	0	0	0

atlas_1000_analysis/1tag_A/1tag_A_gyrate.tsv

@@ -0,0 +1,1001 @@
+time	gyr_R1	gyr_R2	gyr_R3
+0.1	21.63	21.69	21.63
+0.2	21.69	21.65	21.57
+0.3	21.72	21.73	21.53
+0.4	21.86	21.68	21.66
+0.5	21.85	21.69	21.61
+0.6	21.72	21.68	21.55
+0.7	21.76	21.79	21.65
+0.8	21.89	21.81	21.54
+0.9	21.76	21.68	21.61
+1.0	21.59	21.69	21.63
+1.1	21.71	21.8	21.61
+1.2	21.64	21.67	21.71
+1.3	21.65	21.67	21.7
+1.4	21.72	21.57	21.66
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+1.6	21.71	21.74	21.55
+1.7	21.67	21.81	21.63
+1.8	21.64	21.71	21.69
+1.9	21.74	21.72	21.72
+2.0	21.65	21.58	21.76
+2.1	21.75	21.66	21.64
+2.2	21.77	21.59	21.64
+2.3	21.66	21.65	21.6
+2.4	21.71	21.61	21.76
+2.5	21.73	21.56	21.63
+2.6	21.78	21.77	21.64
+2.7	21.73	21.64	21.74
+2.8	21.83	21.69	21.6
+2.9	21.66	21.5	21.65
+3.0	21.7	21.79	21.59
+3.1	21.67	21.73	21.71
+3.2	21.8	21.62	21.67
+3.3	21.92	21.65	21.63
+3.4	21.86	21.58	21.57
+3.5	21.95	21.59	21.66
+3.6	21.85	21.62	21.52
+3.7	21.93	21.64	21.72
+3.8	21.66	21.7	21.61
+3.9	21.68	21.61	21.68
+4.0	21.79	21.62	21.67
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+4.2	21.77	21.7	21.7
+4.3	21.88	21.73	21.84
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+4.7	21.87	21.78	21.68
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+4.9	21.73	21.8	21.63
+5.0	21.85	21.97	21.62
+5.1	21.66	21.96	21.71
+5.2	21.68	21.8	21.66
+5.3	21.77	21.77	21.68
+5.4	21.71	22.14	21.7
+5.5	21.65	21.98	21.71
+5.6	21.54	21.99	21.63
+5.7	21.74	22.08	21.62
+5.8	21.72	22.03	21.68
+5.9	21.77	21.95	21.65
+6.0	21.73	21.83	21.87
+6.1	21.66	21.86	21.72
+6.2	21.63	21.85	21.84
+6.3	21.77	21.97	21.73
+6.4	21.75	21.86	21.73
+6.5	21.74	21.92	21.79
+6.6	21.82	21.82	21.79
+6.7	21.76	21.68	21.68
+6.8	21.71	21.91	21.94
+6.9	21.78	21.8	21.89
+7.0	21.63	21.88	21.81
+7.1	21.57	21.97	21.74
+7.2	21.78	21.88	21.91
+7.3	21.71	21.85	21.76
+7.4	21.72	21.66	21.67
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+7.6	21.64	21.68	21.71
+7.7	21.55	21.92	21.79
+7.8	21.51	21.74	21.71
+7.9	21.6	21.9	21.7
+8.0	21.7	21.82	21.66
+8.1	21.77	21.91	21.69
+8.2	21.62	21.88	21.64
+8.3	21.81	21.87	21.69
+8.4	21.73	21.75	21.68
+8.5	22.01	21.66	21.71
+8.6	22.01	21.73	21.66
+8.7	22.12	22.1	21.59
+8.8	22.22	21.81	21.78
+8.9	22.34	21.86	21.82
+9.0	22.45	21.91	21.86
+9.1	22.33	21.75	21.64
+9.2	22.12	21.75	21.75
+9.3	22.22	21.77	21.95
+9.4	22.0	21.85	21.82
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+9.6	21.89	21.96	22.05
+9.7	21.82	21.9	21.54
+9.8	21.91	21.78	21.72
+9.9	21.81	21.88	21.82
+10.0	21.72	21.83	21.77
+10.1	21.88	22.02	21.8
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+10.9	21.86	21.89	22.0
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+11.7	21.89	21.83	22.15
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+12.9	22.04	21.82	22.11
+13.0	21.98	21.8	22.06
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+14.0	22.28	21.94	21.96
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+14.3	22.23	21.94	22.01
+14.4	22.17	21.81	21.99
+14.5	22.13	21.91	21.86
+14.6	22.1	21.92	21.78
+14.7	22.33	21.99	21.87
+14.8	22.47	22.01	22.0
+14.9	22.19	21.65	22.14
+15.0	22.08	21.91	22.08
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+15.2	22.1	21.91	22.14
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+15.4	22.21	21.88	22.17
+15.5	22.09	21.76	22.24
+15.6	22.0	21.71	22.02
+15.7	21.99	21.66	22.11
+15.8	22.05	21.81	21.92
+15.9	22.21	21.96	21.98
+16.0	21.95	21.82	22.09
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+16.2	22.03	21.76	22.37
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+16.4	22.06	21.67	22.35
+16.5	22.0	21.7	22.51
+16.6	22.15	21.69	22.27
+16.7	22.12	21.7	22.25
+16.8	22.1	21.65	22.27
+16.9	22.12	21.9	22.19
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+89.2	21.75	21.74	21.95
+89.3	21.71	21.87	22.05
+89.4	21.79	21.78	21.94
+89.5	21.76	21.83	21.81
+89.6	21.71	21.92	21.8
+89.7	21.56	21.84	21.71
+89.8	21.72	21.9	21.87
+89.9	21.68	21.81	21.8
+90.0	21.75	21.83	21.82
+90.1	21.6	21.77	21.87
+90.2	21.72	21.66	21.75
+90.3	21.64	21.69	21.82
+90.4	21.73	21.7	21.71
+90.5	21.65	21.76	21.76
+90.6	21.81	21.79	21.84
+90.7	21.62	21.82	21.9
+90.8	21.55	21.74	22.07
+90.9	21.61	21.84	22.03
+91.0	21.64	21.79	21.85
+91.1	21.63	21.97	21.97
+91.2	21.59	21.88	21.79
+91.3	21.68	21.91	22.07
+91.4	21.62	21.78	21.92
+91.5	21.59	21.82	21.74
+91.6	21.51	21.83	21.98
+91.7	21.61	21.84	21.88
+91.8	21.7	21.84	21.93
+91.9	21.58	21.81	21.85
+92.0	21.7	21.85	21.78
+92.1	21.57	21.79	21.86
+92.2	21.73	21.73	21.84
+92.3	21.61	21.95	21.87
+92.4	21.58	21.82	21.72
+92.5	21.73	21.9	21.69
+92.6	21.66	21.91	21.79
+92.7	21.62	21.85	21.71
+92.8	21.75	21.9	21.71
+92.9	21.69	21.91	21.82
+93.0	21.71	21.99	21.79
+93.1	21.76	22.05	21.85
+93.2	21.59	21.98	21.77
+93.3	21.64	21.88	21.8
+93.4	21.67	21.88	21.91
+93.5	21.6	21.98	21.91
+93.6	21.6	22.01	21.82
+93.7	21.57	21.89	22.01
+93.8	21.53	21.82	21.84
+93.9	21.65	22.01	21.97
+94.0	21.58	21.72	21.96
+94.1	21.59	21.8	21.84
+94.2	21.52	21.84	21.94
+94.3	21.64	21.94	21.78
+94.4	21.59	21.9	21.86
+94.5	21.67	21.81	21.93
+94.6	21.61	21.94	22.03
+94.7	21.79	21.98	21.87
+94.8	21.49	21.94	21.91
+94.9	21.67	21.99	21.93
+95.0	21.72	21.88	21.95
+95.1	21.62	21.93	21.86
+95.2	21.63	21.86	22.08
+95.3	21.74	21.9	22.01
+95.4	21.7	21.83	22.07
+95.5	21.7	21.83	22.05
+95.6	21.63	21.83	22.02
+95.7	21.76	21.9	21.93
+95.8	21.54	22.0	22.0
+95.9	21.67	22.0	22.05
+96.0	21.65	22.11	21.88
+96.1	21.5	21.84	21.85
+96.2	21.66	21.96	21.81
+96.3	21.77	21.85	21.98
+96.4	21.74	21.87	21.99
+96.5	21.53	21.83	21.93
+96.6	21.64	22.06	22.03
+96.7	21.52	22.16	21.93
+96.8	21.85	22.02	21.89
+96.9	21.5	21.9	21.97
+97.0	21.64	22.13	21.99
+97.1	21.68	21.92	21.95
+97.2	21.82	22.12	22.11
+97.3	21.66	22.16	22.04
+97.4	21.66	22.08	22.12
+97.5	21.79	22.0	22.33
+97.6	21.54	21.9	22.34
+97.7	21.61	21.83	22.27
+97.8	21.8	21.84	22.14
+97.9	21.63	21.81	22.0
+98.0	21.96	21.87	22.09
+98.1	21.84	21.83	21.79
+98.2	21.69	21.93	21.85
+98.3	21.73	21.8	21.81
+98.4	21.77	21.94	21.86
+98.5	21.66	21.96	22.18
+98.6	21.79	21.92	21.98
+98.7	21.78	21.88	21.82
+98.8	21.74	21.78	21.77
+98.9	21.78	21.97	21.77
+99.0	21.68	21.73	21.77
+99.1	21.7	21.82	21.82
+99.2	21.58	21.76	22.07
+99.3	21.68	21.77	21.93
+99.4	21.63	21.72	22.24
+99.5	21.53	21.72	22.31
+99.6	21.68	21.83	22.12
+99.7	21.62	21.72	22.47
+99.8	21.76	21.77	22.22
+99.9	21.7	21.62	22.28
+100.0	21.6	21.84	22.33

atlas_1000_analysis/1tag_A/1tag_A_pLDDT.tsv

@@ -0,0 +1,325 @@
+seq	pLDDT
+A	63.95
+R	86.12
+T	92.81
+V	96.45
+K	96.98
+L	98.26
+L	98.51
+L	98.64
+L	98.51
+G	98.16
+A	96.1
+G	93.06
+E	93.01
+S	97.01
+G	96.89
+K	97.77
+S	97.6
+T	97.94
+I	98.25
+V	97.75
+K	97.78
+Q	98.22
+M	97.57
+K	96.83
+I	97.54
+I	97.51
+H	96.19
+Q	94.8
+D	94.36
+G	95.3
+Y	96.68
+S	96.63
+L	96.91
+E	96.99
+E	96.64
+C	97.52
+L	97.13
+E	96.49
+F	97.97
+I	97.95
+A	97.0
+I	97.49
+I	98.41
+Y	97.97
+G	97.09
+N	97.84
+T	98.19
+L	97.9
+Q	97.11
+S	98.27
+I	98.61
+L	98.1
+A	98.36
+I	98.66
+V	98.24
+R	97.5
+A	98.22
+M	97.99
+T	94.95
+T	95.69
+L	97.63
+N	97.33
+I	98.02
+Q	97.93
+Y	98.37
+G	97.62
+D	97.47
+S	94.91
+A	95.62
+R	97.9
+Q	96.68
+D	97.17
+D	98.18
+A	97.86
+R	96.74
+K	97.21
+L	97.6
+M	95.45
+H	95.16
+M	95.22
+A	93.53
+D	91.22
+T	91.22
+I	89.59
+E	90.58
+E	87.14
+G	88.66
+T	93.45
+M	96.19
+P	95.36
+K	95.38
+E	96.24
+M	97.38
+S	97.78
+D	98.18
+I	98.48
+I	98.63
+Q	98.52
+R	98.48
+L	98.69
+W	98.65
+K	98.39
+D	98.73
+S	98.49
+G	98.51
+I	98.64
+Q	98.63
+A	98.18
+C	98.46
+F	98.06
+D	96.24
+R	96.18
+A	96.13
+S	94.86
+E	95.69
+Y	96.81
+Q	95.26
+L	96.52
+N	92.43
+D	90.92
+S	95.42
+A	97.65
+G	97.27
+Y	97.98
+Y	98.45
+L	98.56
+S	98.13
+D	96.88
+L	97.9
+E	96.41
+R	97.44
+L	97.34
+V	96.34
+T	96.3
+P	94.42
+G	94.38
+Y	97.01
+V	97.64
+P	98.36
+T	98.01
+E	97.27
+Q	97.66
+D	98.44
+V	98.22
+L	97.79
+R	97.34
+S	96.98
+R	94.19
+V	93.56
+K	92.41
+T	94.08
+T	92.98
+G	93.42
+I	95.4
+I	95.9
+E	97.07
+T	97.03
+Q	97.61
+F	97.06
+S	96.07
+F	95.01
+K	92.28
+D	90.44
+L	95.31
+N	96.58
+F	98.11
+R	98.06
+M	98.33
+F	98.34
+D	98.38
+V	97.84
+G	96.49
+G	94.73
+Q	93.92
+R	94.87
+S	93.66
+E	95.81
+R	95.58
+K	93.88
+K	95.23
+W	96.46
+I	92.6
+H	94.2
+C	96.21
+F	95.31
+E	93.08
+G	92.28
+V	96.07
+T	95.13
+C	96.82
+I	98.31
+I	98.63
+F	98.78
+I	98.82
+A	98.74
+A	98.33
+L	98.34
+S	96.38
+A	96.86
+Y	97.89
+D	97.04
+M	96.83
+V	96.54
+L	94.12
+V	90.98
+E	91.1
+D	92.6
+D	92.4
+E	94.57
+V	96.15
+N	97.72
+R	97.65
+M	98.38
+H	98.39
+E	98.2
+S	98.65
+L	98.78
+H	98.43
+L	98.3
+F	98.65
+N	98.46
+S	97.46
+I	97.08
+C	96.69
+N	96.52
+H	94.61
+R	92.52
+Y	93.02
+F	94.29
+A	90.01
+T	88.4
+T	92.77
+S	93.9
+I	97.15
+V	98.39
+L	98.74
+F	98.84
+L	98.78
+N	98.74
+K	97.9
+K	97.85
+D	96.71
+V	96.39
+F	97.95
+S	97.49
+E	94.99
+K	95.63
+I	97.08
+K	95.57
+K	93.95
+A	95.24
+H	97.07
+L	98.32
+S	97.17
+I	95.73
+C	97.77
+F	98.09
+P	97.1
+D	95.53
+Y	97.34
+N	94.23
+G	94.9
+P	95.92
+N	94.96
+T	96.88
+Y	97.7
+E	97.75
+D	98.22
+A	98.34
+G	98.36
+N	98.44
+Y	98.64
+I	98.7
+K	98.64
+V	98.13
+Q	98.59
+F	98.68
+L	98.13
+E	97.13
+L	98.03
+N	96.47
+M	94.71
+R	90.03
+R	88.99
+D	87.39
+V	86.72
+K	87.95
+E	90.69
+I	95.86
+Y	95.19
+S	97.85
+H	98.3
+M	97.99
+T	98.5
+C	98.13
+A	97.91
+T	97.33
+D	98.33
+T	98.31
+Q	98.11
+N	97.97
+V	98.2
+K	97.77
+F	97.6
+V	97.19
+F	97.04
+D	97.05
+A	96.2
+V	95.4
+T	95.41
+D	93.24
+I	89.9
+I	91.3
+I	90.4
+K	86.89
+E	83.8
+N	81.29
+L	79.69
+K	77.23
+D	71.62
+C	72.43
+G	63.71
+L	59.71
+F	43.05

atlas_1000_analysis/1tag_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 
+

atlas_1000_analysis/1tag_A/extract.done

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

atlas_1000_analysis/1u07_A/1u07_A_R1.tpr

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:71b85272c737644ae1c249bf4406d722a9cbcc4ae06d39f90bc35593bdd195e8
+size 1201000

atlas_1000_analysis/1u07_A/1u07_A_R1.xtc

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+version https://git-lfs.github.com/spec/v1
+oid sha256:a8e39577a0cbc5fa9eb5613b284107ed3247a423ed74060f46d74185d7353089
+size 6774340