NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
463834 |
2ysq   |
11228 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ysq
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 843
_Distance_constraint_stats_list.Viol_count 229
_Distance_constraint_stats_list.Viol_total 18.259
_Distance_constraint_stats_list.Viol_max 0.045
_Distance_constraint_stats_list.Viol_rms 0.0008
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0040
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.039 0.033 19 0 "[ . 1 . 2]"
1 10 ILE 0.047 0.033 19 0 "[ . 1 . 2]"
1 11 VAL 0.007 0.005 13 0 "[ . 1 . 2]"
1 12 SER 0.001 0.001 15 0 "[ . 1 . 2]"
1 13 ALA 0.009 0.002 11 0 "[ . 1 . 2]"
1 14 GLU 0.012 0.004 17 0 "[ . 1 . 2]"
1 15 ALA 0.004 0.002 13 0 "[ . 1 . 2]"
1 16 VAL 0.023 0.009 17 0 "[ . 1 . 2]"
1 17 TRP 0.008 0.003 10 0 "[ . 1 . 2]"
1 18 ASP 0.000 0.000 6 0 "[ . 1 . 2]"
1 19 HIS 0.003 0.002 10 0 "[ . 1 . 2]"
1 20 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 MET 0.000 0.000 1 0 "[ . 1 . 2]"
1 23 ALA 0.001 0.001 13 0 "[ . 1 . 2]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.001 0.001 13 0 "[ . 1 . 2]"
1 27 LEU 0.012 0.004 17 0 "[ . 1 . 2]"
1 28 ALA 0.003 0.002 16 0 "[ . 1 . 2]"
1 29 PHE 0.008 0.004 17 0 "[ . 1 . 2]"
1 30 LYS 0.031 0.012 12 0 "[ . 1 . 2]"
1 31 ALA 0.007 0.002 11 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 2 0 "[ . 1 . 2]"
1 33 ASP 0.010 0.002 17 0 "[ . 1 . 2]"
1 34 VAL 0.013 0.004 17 0 "[ . 1 . 2]"
1 35 ILE 0.037 0.012 17 0 "[ . 1 . 2]"
1 36 LYS 0.001 0.001 5 0 "[ . 1 . 2]"
1 37 VAL 0.002 0.002 19 0 "[ . 1 . 2]"
1 38 LEU 0.008 0.002 19 0 "[ . 1 . 2]"
1 39 ASP 0.000 0.000 11 0 "[ . 1 . 2]"
1 40 ALA 0.009 0.002 9 0 "[ . 1 . 2]"
1 41 SER 0.002 0.002 10 0 "[ . 1 . 2]"
1 42 ASN 0.021 0.011 13 0 "[ . 1 . 2]"
1 43 LYS 0.032 0.011 13 0 "[ . 1 . 2]"
1 44 ASP 0.000 0.000 12 0 "[ . 1 . 2]"
1 45 TRP 0.003 0.003 13 0 "[ . 1 . 2]"
1 46 TRP 0.028 0.003 19 0 "[ . 1 . 2]"
1 47 TRP 0.062 0.006 11 0 "[ . 1 . 2]"
1 48 GLY 0.020 0.006 11 0 "[ . 1 . 2]"
1 49 GLN 0.011 0.008 11 0 "[ . 1 . 2]"
1 50 ILE 0.283 0.035 14 0 "[ . 1 . 2]"
1 51 ASP 0.261 0.022 19 0 "[ . 1 . 2]"
1 52 ASP 0.098 0.015 20 0 "[ . 1 . 2]"
1 53 GLU 0.317 0.022 19 0 "[ . 1 . 2]"
1 54 GLU 0.073 0.012 15 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 PHE 0.003 0.001 6 0 "[ . 1 . 2]"
1 58 PRO 0.003 0.003 13 0 "[ . 1 . 2]"
1 59 ALA 0.010 0.002 16 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PHE 0.002 0.002 10 0 "[ . 1 . 2]"
1 62 VAL 0.014 0.003 19 0 "[ . 1 . 2]"
1 63 ARG 0.015 0.009 17 0 "[ . 1 . 2]"
1 64 LEU 0.003 0.002 17 0 "[ . 1 . 2]"
1 65 TRP 0.054 0.045 13 0 "[ . 1 . 2]"
1 66 VAL 0.049 0.045 13 0 "[ . 1 . 2]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 VAL 0.020 0.014 20 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ASP HA 1 9 SER H . . 3.570 2.351 2.159 2.863 . 0 0 "[ . 1 . 2]" 1
2 1 9 SER H 1 9 SER QB . . 3.860 2.485 2.168 3.045 . 0 0 "[ . 1 . 2]" 1
3 1 9 SER HA 1 10 ILE H . . 2.930 2.333 2.138 2.933 0.003 17 0 "[ . 1 . 2]" 1
4 1 9 SER HA 1 10 ILE MD . . 4.790 3.832 2.700 4.786 . 0 0 "[ . 1 . 2]" 1
5 1 9 SER QB 1 10 ILE H . . 3.780 3.143 1.976 3.813 0.033 19 0 "[ . 1 . 2]" 1
6 1 10 ILE H 1 10 ILE HB . . 3.050 2.531 2.394 2.802 . 0 0 "[ . 1 . 2]" 1
7 1 10 ILE H 1 10 ILE MD . . 3.650 2.725 1.853 3.602 . 0 0 "[ . 1 . 2]" 1
8 1 10 ILE H 1 10 ILE QG . . 3.240 2.733 1.948 3.233 . 0 0 "[ . 1 . 2]" 1
9 1 10 ILE H 1 10 ILE MG . . 4.200 3.785 3.732 3.829 . 0 0 "[ . 1 . 2]" 1
10 1 10 ILE H 1 11 VAL H . . 4.530 4.463 4.251 4.535 0.005 13 0 "[ . 1 . 2]" 1
11 1 10 ILE HA 1 10 ILE MD . . 3.980 3.338 1.933 3.885 . 0 0 "[ . 1 . 2]" 1
12 1 10 ILE HA 1 10 ILE HG12 . . 3.930 3.160 2.687 3.581 . 0 0 "[ . 1 . 2]" 1
13 1 10 ILE HA 1 10 ILE QG . . 3.370 2.460 2.224 3.031 . 0 0 "[ . 1 . 2]" 1
14 1 10 ILE HA 1 10 ILE HG13 . . 3.930 2.705 2.250 3.757 . 0 0 "[ . 1 . 2]" 1
15 1 10 ILE HA 1 10 ILE MG . . 3.120 2.369 2.256 2.497 . 0 0 "[ . 1 . 2]" 1
16 1 10 ILE HA 1 11 VAL H . . 2.750 2.158 2.139 2.232 . 0 0 "[ . 1 . 2]" 1
17 1 10 ILE HA 1 11 VAL HB . . 4.800 4.593 4.309 4.800 0.000 1 0 "[ . 1 . 2]" 1
18 1 10 ILE HA 1 11 VAL QG . . 4.120 3.626 3.344 3.970 . 0 0 "[ . 1 . 2]" 1
19 1 10 ILE HB 1 10 ILE MD . . 3.480 2.394 2.093 3.228 . 0 0 "[ . 1 . 2]" 1
20 1 10 ILE HB 1 11 VAL H . . 4.340 4.202 3.948 4.341 0.001 9 0 "[ . 1 . 2]" 1
21 1 10 ILE QG 1 10 ILE MG . . 3.050 2.087 1.963 2.240 . 0 0 "[ . 1 . 2]" 1
22 1 10 ILE HG12 1 10 ILE MG . . 3.650 2.279 2.020 3.196 . 0 0 "[ . 1 . 2]" 1
23 1 10 ILE HG13 1 10 ILE MG . . 3.650 2.797 2.249 3.177 . 0 0 "[ . 1 . 2]" 1
24 1 10 ILE MG 1 11 VAL H . . 3.560 2.499 2.074 3.072 . 0 0 "[ . 1 . 2]" 1
25 1 10 ILE MG 1 36 LYS HA . . 4.290 4.095 3.336 4.291 0.001 5 0 "[ . 1 . 2]" 1
26 1 10 ILE MG 1 36 LYS QB . . 4.490 4.105 2.770 4.490 0.000 16 0 "[ . 1 . 2]" 1
27 1 10 ILE MG 1 36 LYS HD2 . . 5.130 3.485 1.927 4.707 . 0 0 "[ . 1 . 2]" 1
28 1 10 ILE MG 1 36 LYS QD . . 4.310 3.097 1.909 4.093 . 0 0 "[ . 1 . 2]" 1
29 1 10 ILE MG 1 36 LYS HD3 . . 5.130 3.882 2.870 4.993 . 0 0 "[ . 1 . 2]" 1
30 1 10 ILE MG 1 36 LYS QE . . 4.440 2.774 1.768 3.924 . 0 0 "[ . 1 . 2]" 1
31 1 10 ILE MG 1 36 LYS HG2 . . 3.920 2.877 2.312 3.887 . 0 0 "[ . 1 . 2]" 1
32 1 10 ILE MG 1 36 LYS HG3 . . 3.920 2.909 2.111 3.920 0.000 18 0 "[ . 1 . 2]" 1
33 1 10 ILE MG 1 37 VAL H . . 4.510 3.917 3.421 4.357 . 0 0 "[ . 1 . 2]" 1
34 1 11 VAL H 1 11 VAL HB . . 3.460 2.723 2.450 3.222 . 0 0 "[ . 1 . 2]" 1
35 1 11 VAL H 1 11 VAL QG . . 3.230 2.358 1.929 2.680 . 0 0 "[ . 1 . 2]" 1
36 1 11 VAL H 1 37 VAL H . . 4.690 4.480 4.203 4.686 . 0 0 "[ . 1 . 2]" 1
37 1 11 VAL H 1 37 VAL HB . . 4.210 3.190 2.843 4.133 . 0 0 "[ . 1 . 2]" 1
38 1 11 VAL HA 1 11 VAL MG1 . . 3.280 2.623 2.155 3.202 . 0 0 "[ . 1 . 2]" 1
39 1 11 VAL HA 1 11 VAL MG2 . . 3.280 2.359 2.115 2.524 . 0 0 "[ . 1 . 2]" 1
40 1 11 VAL HA 1 12 SER H . . 2.820 2.230 2.145 2.446 . 0 0 "[ . 1 . 2]" 1
41 1 11 VAL HB 1 12 SER H . . 4.210 3.996 3.624 4.178 . 0 0 "[ . 1 . 2]" 1
42 1 11 VAL QG 1 12 SER H . . 3.620 2.134 1.764 2.656 . 0 0 "[ . 1 . 2]" 1
43 1 12 SER H 1 12 SER HB2 . . 3.990 2.856 2.302 3.848 . 0 0 "[ . 1 . 2]" 1
44 1 12 SER H 1 12 SER QB . . 3.330 2.609 2.275 3.153 . 0 0 "[ . 1 . 2]" 1
45 1 12 SER H 1 12 SER HB3 . . 3.990 3.468 2.441 3.790 . 0 0 "[ . 1 . 2]" 1
46 1 12 SER H 1 13 ALA H . . 4.540 4.389 4.225 4.530 . 0 0 "[ . 1 . 2]" 1
47 1 12 SER HA 1 13 ALA H . . 2.950 2.183 2.139 2.299 . 0 0 "[ . 1 . 2]" 1
48 1 12 SER HA 1 13 ALA MB . . 4.110 3.902 3.763 3.989 . 0 0 "[ . 1 . 2]" 1
49 1 12 SER HA 1 34 VAL QG . . 4.520 4.142 3.617 4.520 . 0 0 "[ . 1 . 2]" 1
50 1 12 SER HA 1 36 LYS HA . . 3.540 2.954 2.556 3.522 . 0 0 "[ . 1 . 2]" 1
51 1 12 SER HA 1 37 VAL H . . 3.820 2.801 2.415 3.233 . 0 0 "[ . 1 . 2]" 1
52 1 12 SER HA 1 37 VAL QG . . 3.930 3.024 2.326 3.663 . 0 0 "[ . 1 . 2]" 1
53 1 12 SER QB 1 13 ALA H . . 3.540 3.154 2.667 3.527 . 0 0 "[ . 1 . 2]" 1
54 1 12 SER QB 1 34 VAL QG . . 3.310 2.913 2.362 3.264 . 0 0 "[ . 1 . 2]" 1
55 1 12 SER QB 1 65 TRP QB . . 4.430 3.636 2.767 4.431 0.001 15 0 "[ . 1 . 2]" 1
56 1 12 SER QB 1 65 TRP HE3 . . 4.050 3.403 2.511 4.050 . 0 0 "[ . 1 . 2]" 1
57 1 12 SER HB2 1 13 ALA H . . 4.390 3.972 2.738 4.390 . 0 0 "[ . 1 . 2]" 1
58 1 12 SER HB2 1 65 TRP HE3 . . 4.720 3.716 2.559 4.708 . 0 0 "[ . 1 . 2]" 1
59 1 12 SER HB3 1 13 ALA H . . 4.390 3.495 2.959 4.300 . 0 0 "[ . 1 . 2]" 1
60 1 12 SER HB3 1 65 TRP HE3 . . 4.720 4.295 2.931 4.709 . 0 0 "[ . 1 . 2]" 1
61 1 13 ALA H 1 13 ALA MB . . 3.400 2.405 2.240 2.691 . 0 0 "[ . 1 . 2]" 1
62 1 13 ALA H 1 14 GLU H . . 4.750 4.489 4.404 4.540 . 0 0 "[ . 1 . 2]" 1
63 1 13 ALA H 1 34 VAL QG . . 3.980 3.637 2.854 3.981 0.001 12 0 "[ . 1 . 2]" 1
64 1 13 ALA H 1 35 ILE H . . 3.920 3.737 3.314 3.921 0.001 15 0 "[ . 1 . 2]" 1
65 1 13 ALA H 1 35 ILE HB . . 4.730 4.073 3.567 4.442 . 0 0 "[ . 1 . 2]" 1
66 1 13 ALA H 1 35 ILE MG . . 5.180 4.671 4.001 5.165 . 0 0 "[ . 1 . 2]" 1
67 1 13 ALA H 1 36 LYS HA . . 4.590 3.942 3.581 4.359 . 0 0 "[ . 1 . 2]" 1
68 1 13 ALA H 1 37 VAL QG . . 3.700 3.030 2.284 3.497 . 0 0 "[ . 1 . 2]" 1
69 1 13 ALA H 1 62 VAL HB . . 5.500 5.418 5.184 5.501 0.001 19 0 "[ . 1 . 2]" 1
70 1 13 ALA H 1 64 LEU HA . . 5.450 5.068 4.455 5.433 . 0 0 "[ . 1 . 2]" 1
71 1 13 ALA HA 1 14 GLU H . . 3.010 2.330 2.211 2.470 . 0 0 "[ . 1 . 2]" 1
72 1 13 ALA HA 1 14 GLU HB2 . . 5.030 4.425 4.161 4.636 . 0 0 "[ . 1 . 2]" 1
73 1 13 ALA HA 1 14 GLU QB . . 4.280 3.983 3.944 4.038 . 0 0 "[ . 1 . 2]" 1
74 1 13 ALA HA 1 14 GLU HB3 . . 5.030 4.559 4.308 4.976 . 0 0 "[ . 1 . 2]" 1
75 1 13 ALA HA 1 62 VAL HB . . 5.340 4.410 4.094 4.667 . 0 0 "[ . 1 . 2]" 1
76 1 13 ALA HA 1 62 VAL MG2 . . 4.750 4.386 4.104 4.710 . 0 0 "[ . 1 . 2]" 1
77 1 13 ALA HA 1 64 LEU HA . . 3.360 2.626 2.143 3.055 . 0 0 "[ . 1 . 2]" 1
78 1 13 ALA HA 1 64 LEU QD . . 4.170 3.613 2.901 4.169 . 0 0 "[ . 1 . 2]" 1
79 1 13 ALA HA 1 65 TRP H . . 3.490 3.343 3.103 3.492 0.002 11 0 "[ . 1 . 2]" 1
80 1 13 ALA HA 1 65 TRP HD1 . . 4.980 3.265 2.029 4.976 . 0 0 "[ . 1 . 2]" 1
81 1 13 ALA MB 1 14 GLU H . . 3.390 2.628 2.348 2.879 . 0 0 "[ . 1 . 2]" 1
82 1 13 ALA MB 1 14 GLU HA . . 4.550 4.051 3.896 4.268 . 0 0 "[ . 1 . 2]" 1
83 1 13 ALA MB 1 35 ILE H . . 4.490 4.105 3.552 4.449 . 0 0 "[ . 1 . 2]" 1
84 1 13 ALA MB 1 35 ILE MD . . 4.220 3.872 3.430 4.220 0.000 19 0 "[ . 1 . 2]" 1
85 1 13 ALA MB 1 46 TRP HZ3 . . 4.040 3.682 3.158 4.041 0.001 15 0 "[ . 1 . 2]" 1
86 1 13 ALA MB 1 62 VAL HA . . 4.930 4.143 4.029 4.314 . 0 0 "[ . 1 . 2]" 1
87 1 13 ALA MB 1 62 VAL HB . . 3.090 2.134 1.967 2.389 . 0 0 "[ . 1 . 2]" 1
88 1 13 ALA MB 1 62 VAL MG1 . . 3.610 3.119 2.858 3.553 . 0 0 "[ . 1 . 2]" 1
89 1 13 ALA MB 1 62 VAL MG2 . . 3.040 2.153 1.856 2.601 . 0 0 "[ . 1 . 2]" 1
90 1 13 ALA MB 1 63 ARG H . . 4.040 3.547 3.047 3.935 . 0 0 "[ . 1 . 2]" 1
91 1 13 ALA MB 1 64 LEU H . . 4.510 4.104 3.540 4.495 . 0 0 "[ . 1 . 2]" 1
92 1 13 ALA MB 1 64 LEU HA . . 3.480 2.753 2.040 3.114 . 0 0 "[ . 1 . 2]" 1
93 1 13 ALA MB 1 65 TRP H . . 4.380 4.228 3.717 4.380 0.000 18 0 "[ . 1 . 2]" 1
94 1 14 GLU H 1 14 GLU HB2 . . 3.750 3.032 2.592 3.334 . 0 0 "[ . 1 . 2]" 1
95 1 14 GLU H 1 14 GLU QB . . 3.250 2.429 2.334 2.557 . 0 0 "[ . 1 . 2]" 1
96 1 14 GLU H 1 14 GLU HB3 . . 3.750 2.583 2.439 2.820 . 0 0 "[ . 1 . 2]" 1
97 1 14 GLU H 1 14 GLU QG . . 4.200 4.010 3.851 4.172 . 0 0 "[ . 1 . 2]" 1
98 1 14 GLU H 1 62 VAL HB . . 4.210 3.423 2.960 3.963 . 0 0 "[ . 1 . 2]" 1
99 1 14 GLU H 1 62 VAL MG2 . . 4.520 4.326 3.960 4.522 0.002 11 0 "[ . 1 . 2]" 1
100 1 14 GLU H 1 63 ARG H . . 3.540 2.990 2.442 3.465 . 0 0 "[ . 1 . 2]" 1
101 1 14 GLU H 1 63 ARG QB . . 4.570 3.917 3.380 4.571 0.001 18 0 "[ . 1 . 2]" 1
102 1 14 GLU H 1 63 ARG QG . . 5.500 4.579 2.664 5.492 . 0 0 "[ . 1 . 2]" 1
103 1 14 GLU H 1 64 LEU HA . . 4.230 3.946 3.620 4.229 . 0 0 "[ . 1 . 2]" 1
104 1 14 GLU H 1 65 TRP H . . 5.170 4.977 4.608 5.171 0.001 18 0 "[ . 1 . 2]" 1
105 1 14 GLU HA 1 14 GLU QG . . 3.470 2.536 2.264 2.906 . 0 0 "[ . 1 . 2]" 1
106 1 14 GLU HA 1 15 ALA H . . 2.880 2.150 2.139 2.195 . 0 0 "[ . 1 . 2]" 1
107 1 14 GLU HA 1 15 ALA MB . . 4.240 3.966 3.913 4.004 . 0 0 "[ . 1 . 2]" 1
108 1 14 GLU HA 1 34 VAL HA . . 3.240 2.921 2.089 3.244 0.004 17 0 "[ . 1 . 2]" 1
109 1 14 GLU HA 1 34 VAL MG1 . . 4.500 3.957 3.074 4.504 0.004 11 0 "[ . 1 . 2]" 1
110 1 14 GLU HA 1 34 VAL QG . . 3.650 3.223 2.531 3.562 . 0 0 "[ . 1 . 2]" 1
111 1 14 GLU HA 1 34 VAL MG2 . . 4.500 3.461 2.544 3.958 . 0 0 "[ . 1 . 2]" 1
112 1 14 GLU HA 1 35 ILE H . . 4.280 3.697 3.198 3.989 . 0 0 "[ . 1 . 2]" 1
113 1 14 GLU HA 1 35 ILE MD . . 4.780 4.241 3.569 4.780 . 0 0 "[ . 1 . 2]" 1
114 1 14 GLU QB 1 15 ALA H . . 3.920 3.767 3.619 3.888 . 0 0 "[ . 1 . 2]" 1
115 1 14 GLU QB 1 65 TRP HD1 . . 4.320 3.356 2.713 4.097 . 0 0 "[ . 1 . 2]" 1
116 1 14 GLU QB 1 65 TRP HE1 . . 4.040 2.121 1.733 2.539 . 0 0 "[ . 1 . 2]" 1
117 1 14 GLU HB2 1 15 ALA H . . 4.520 4.232 4.009 4.471 . 0 0 "[ . 1 . 2]" 1
118 1 14 GLU HB2 1 65 TRP HD1 . . 5.060 3.725 2.782 4.523 . 0 0 "[ . 1 . 2]" 1
119 1 14 GLU HB2 1 65 TRP HE1 . . 4.590 2.170 1.908 2.582 . 0 0 "[ . 1 . 2]" 1
120 1 14 GLU HB3 1 15 ALA H . . 4.520 4.241 3.926 4.410 . 0 0 "[ . 1 . 2]" 1
121 1 14 GLU HB3 1 65 TRP HD1 . . 5.060 3.980 3.435 4.686 . 0 0 "[ . 1 . 2]" 1
122 1 14 GLU HB3 1 65 TRP HE1 . . 4.590 3.314 1.923 4.128 . 0 0 "[ . 1 . 2]" 1
123 1 14 GLU QG 1 15 ALA H . . 3.710 2.837 2.293 3.488 . 0 0 "[ . 1 . 2]" 1
124 1 14 GLU QG 1 32 GLY H . . 4.280 3.651 3.015 4.256 . 0 0 "[ . 1 . 2]" 1
125 1 14 GLU QG 1 32 GLY QA . . 3.880 3.212 2.496 3.636 . 0 0 "[ . 1 . 2]" 1
126 1 14 GLU QG 1 34 VAL HA . . 5.500 4.216 3.086 5.146 . 0 0 "[ . 1 . 2]" 1
127 1 14 GLU QG 1 34 VAL QG . . 4.110 3.421 2.777 4.110 . 0 0 "[ . 1 . 2]" 1
128 1 14 GLU QG 1 63 ARG QG . . 5.500 4.965 3.472 5.500 . 0 0 "[ . 1 . 2]" 1
129 1 14 GLU QG 1 65 TRP HE1 . . 4.790 3.898 3.053 4.679 . 0 0 "[ . 1 . 2]" 1
130 1 15 ALA H 1 15 ALA MB . . 3.020 2.132 2.025 2.249 . 0 0 "[ . 1 . 2]" 1
131 1 15 ALA H 1 33 ASP H . . 4.630 4.539 4.253 4.630 0.000 20 0 "[ . 1 . 2]" 1
132 1 15 ALA H 1 34 VAL HA . . 3.930 3.497 2.693 3.923 . 0 0 "[ . 1 . 2]" 1
133 1 15 ALA H 1 34 VAL QG . . 4.510 4.154 3.693 4.487 . 0 0 "[ . 1 . 2]" 1
134 1 15 ALA H 1 35 ILE MD . . 4.340 3.453 2.921 4.109 . 0 0 "[ . 1 . 2]" 1
135 1 15 ALA H 1 62 VAL MG1 . . 4.460 3.910 3.457 4.397 . 0 0 "[ . 1 . 2]" 1
136 1 15 ALA HA 1 16 VAL H . . 3.120 2.161 2.144 2.185 . 0 0 "[ . 1 . 2]" 1
137 1 15 ALA HA 1 16 VAL HA . . 5.060 4.415 4.375 4.441 . 0 0 "[ . 1 . 2]" 1
138 1 15 ALA HA 1 16 VAL QG . . 3.920 3.432 3.322 3.669 . 0 0 "[ . 1 . 2]" 1
139 1 15 ALA HA 1 17 TRP H . . 4.090 3.649 3.450 3.999 . 0 0 "[ . 1 . 2]" 1
140 1 15 ALA HA 1 35 ILE MD . . 4.300 3.861 3.293 4.170 . 0 0 "[ . 1 . 2]" 1
141 1 15 ALA HA 1 62 VAL HA . . 3.320 2.802 2.548 2.993 . 0 0 "[ . 1 . 2]" 1
142 1 15 ALA HA 1 62 VAL HB . . 4.320 3.479 2.971 3.919 . 0 0 "[ . 1 . 2]" 1
143 1 15 ALA HA 1 62 VAL MG1 . . 3.160 2.195 1.970 2.517 . 0 0 "[ . 1 . 2]" 1
144 1 15 ALA HA 1 63 ARG H . . 4.350 4.026 3.690 4.210 . 0 0 "[ . 1 . 2]" 1
145 1 15 ALA MB 1 16 VAL H . . 3.870 3.349 3.136 3.475 . 0 0 "[ . 1 . 2]" 1
146 1 15 ALA MB 1 17 TRP H . . 4.090 3.644 3.361 3.968 . 0 0 "[ . 1 . 2]" 1
147 1 15 ALA MB 1 18 ASP HA . . 4.650 4.021 3.623 4.415 . 0 0 "[ . 1 . 2]" 1
148 1 15 ALA MB 1 29 PHE QD . . 3.160 2.306 1.878 3.105 . 0 0 "[ . 1 . 2]" 1
149 1 15 ALA MB 1 29 PHE QE . . 3.610 2.657 1.991 3.530 . 0 0 "[ . 1 . 2]" 1
150 1 15 ALA MB 1 30 LYS HA . . 4.650 4.357 3.982 4.652 0.002 13 0 "[ . 1 . 2]" 1
151 1 15 ALA MB 1 31 ALA H . . 4.560 4.065 3.750 4.372 . 0 0 "[ . 1 . 2]" 1
152 1 15 ALA MB 1 31 ALA HA . . 3.200 2.326 2.008 2.842 . 0 0 "[ . 1 . 2]" 1
153 1 15 ALA MB 1 32 GLY H . . 3.350 2.198 1.876 2.691 . 0 0 "[ . 1 . 2]" 1
154 1 15 ALA MB 1 32 GLY HA2 . . 4.840 4.205 3.745 4.591 . 0 0 "[ . 1 . 2]" 1
155 1 15 ALA MB 1 32 GLY HA3 . . 4.840 4.555 4.201 4.805 . 0 0 "[ . 1 . 2]" 1
156 1 15 ALA MB 1 33 ASP H . . 3.360 2.992 2.777 3.274 . 0 0 "[ . 1 . 2]" 1
157 1 15 ALA MB 1 33 ASP HA . . 5.180 4.573 4.354 4.964 . 0 0 "[ . 1 . 2]" 1
158 1 15 ALA MB 1 33 ASP HB2 . . 4.550 3.115 2.531 4.537 . 0 0 "[ . 1 . 2]" 1
159 1 15 ALA MB 1 33 ASP QB . . 3.790 2.996 2.484 3.681 . 0 0 "[ . 1 . 2]" 1
160 1 15 ALA MB 1 33 ASP HB3 . . 4.550 4.096 3.613 4.432 . 0 0 "[ . 1 . 2]" 1
161 1 15 ALA MB 1 35 ILE MD . . 3.230 2.646 2.314 3.077 . 0 0 "[ . 1 . 2]" 1
162 1 15 ALA MB 1 62 VAL HA . . 4.520 4.363 4.119 4.521 0.001 12 0 "[ . 1 . 2]" 1
163 1 15 ALA MB 1 62 VAL MG1 . . 3.720 2.973 2.500 3.382 . 0 0 "[ . 1 . 2]" 1
164 1 16 VAL H 1 16 VAL HB . . 3.820 3.296 2.628 3.729 . 0 0 "[ . 1 . 2]" 1
165 1 16 VAL H 1 16 VAL MG1 . . 4.160 2.943 1.925 3.846 . 0 0 "[ . 1 . 2]" 1
166 1 16 VAL H 1 16 VAL QG . . 3.130 1.948 1.821 2.337 . 0 0 "[ . 1 . 2]" 1
167 1 16 VAL H 1 16 VAL MG2 . . 4.160 2.165 1.850 3.790 . 0 0 "[ . 1 . 2]" 1
168 1 16 VAL H 1 17 TRP H . . 3.120 2.290 1.978 2.627 . 0 0 "[ . 1 . 2]" 1
169 1 16 VAL H 1 31 ALA HA . . 4.770 4.662 4.322 4.772 0.002 13 0 "[ . 1 . 2]" 1
170 1 16 VAL H 1 62 VAL HA . . 3.440 2.440 2.143 2.711 . 0 0 "[ . 1 . 2]" 1
171 1 16 VAL H 1 62 VAL MG1 . . 4.120 3.354 3.130 3.578 . 0 0 "[ . 1 . 2]" 1
172 1 16 VAL H 1 63 ARG H . . 4.960 3.621 3.251 3.986 . 0 0 "[ . 1 . 2]" 1
173 1 16 VAL HA 1 16 VAL MG1 . . 3.370 2.341 2.110 3.203 . 0 0 "[ . 1 . 2]" 1
174 1 16 VAL HA 1 16 VAL MG2 . . 3.370 2.915 2.343 3.196 . 0 0 "[ . 1 . 2]" 1
175 1 16 VAL HA 1 31 ALA MB . . 4.150 3.677 2.835 4.152 0.002 11 0 "[ . 1 . 2]" 1
176 1 16 VAL HA 1 32 GLY H . . 5.070 4.486 3.853 4.984 . 0 0 "[ . 1 . 2]" 1
177 1 16 VAL HA 1 63 ARG H . . 5.500 5.209 4.444 5.509 0.009 17 0 "[ . 1 . 2]" 1
178 1 16 VAL HB 1 17 TRP H . . 3.940 3.495 2.540 3.943 0.003 10 0 "[ . 1 . 2]" 1
179 1 16 VAL HB 1 17 TRP HD1 . . 5.110 2.790 2.037 4.529 . 0 0 "[ . 1 . 2]" 1
180 1 16 VAL HB 1 62 VAL HA . . 5.440 4.760 3.540 5.433 . 0 0 "[ . 1 . 2]" 1
181 1 16 VAL QG 1 17 TRP H . . 3.590 2.385 1.863 3.343 . 0 0 "[ . 1 . 2]" 1
182 1 16 VAL QG 1 17 TRP QB . . 4.880 3.218 2.449 4.169 . 0 0 "[ . 1 . 2]" 1
183 1 16 VAL QG 1 17 TRP HD1 . . 4.100 2.175 1.765 3.100 . 0 0 "[ . 1 . 2]" 1
184 1 16 VAL QG 1 17 TRP HE1 . . 4.450 3.134 2.451 3.874 . 0 0 "[ . 1 . 2]" 1
185 1 16 VAL QG 1 62 VAL HA . . 3.390 2.342 1.965 2.709 . 0 0 "[ . 1 . 2]" 1
186 1 16 VAL QG 1 63 ARG H . . 3.600 2.578 2.054 3.374 . 0 0 "[ . 1 . 2]" 1
187 1 16 VAL QG 1 63 ARG HA . . 4.610 3.744 3.236 4.260 . 0 0 "[ . 1 . 2]" 1
188 1 16 VAL QG 1 63 ARG QB . . 3.550 2.442 1.996 3.541 . 0 0 "[ . 1 . 2]" 1
189 1 16 VAL QG 1 63 ARG QD . . 3.510 3.061 1.855 3.510 . 0 0 "[ . 1 . 2]" 1
190 1 16 VAL MG1 1 17 TRP H . . 4.150 3.799 1.869 4.148 . 0 0 "[ . 1 . 2]" 1
191 1 16 VAL MG1 1 17 TRP HD1 . . 4.680 3.444 1.980 4.512 . 0 0 "[ . 1 . 2]" 1
192 1 16 VAL MG1 1 17 TRP HE1 . . 5.120 4.198 2.459 5.121 0.001 4 0 "[ . 1 . 2]" 1
193 1 16 VAL MG1 1 62 VAL HA . . 4.790 3.740 2.322 4.757 . 0 0 "[ . 1 . 2]" 1
194 1 16 VAL MG1 1 63 ARG H . . 4.810 3.403 2.423 4.692 . 0 0 "[ . 1 . 2]" 1
195 1 16 VAL MG1 1 63 ARG QB . . 4.090 2.897 2.013 3.969 . 0 0 "[ . 1 . 2]" 1
196 1 16 VAL MG1 1 63 ARG HD2 . . 4.700 4.046 2.016 4.701 0.001 12 0 "[ . 1 . 2]" 1
197 1 16 VAL MG1 1 63 ARG HD3 . . 4.700 3.999 1.963 4.700 . 0 0 "[ . 1 . 2]" 1
198 1 16 VAL MG1 1 63 ARG QG . . 3.430 2.347 1.858 3.430 . 0 0 "[ . 1 . 2]" 1
199 1 16 VAL MG2 1 17 TRP H . . 4.150 2.635 1.867 3.706 . 0 0 "[ . 1 . 2]" 1
200 1 16 VAL MG2 1 17 TRP HD1 . . 4.680 2.541 1.840 3.993 . 0 0 "[ . 1 . 2]" 1
201 1 16 VAL MG2 1 17 TRP HE1 . . 5.120 3.831 2.784 5.111 . 0 0 "[ . 1 . 2]" 1
202 1 16 VAL MG2 1 62 VAL HA . . 4.790 2.623 1.967 4.789 . 0 0 "[ . 1 . 2]" 1
203 1 16 VAL MG2 1 63 ARG H . . 4.810 3.044 2.057 4.810 0.000 12 0 "[ . 1 . 2]" 1
204 1 16 VAL MG2 1 63 ARG QB . . 4.090 3.197 2.123 3.981 . 0 0 "[ . 1 . 2]" 1
205 1 16 VAL MG2 1 63 ARG HD2 . . 4.700 4.196 2.823 4.700 . 0 0 "[ . 1 . 2]" 1
206 1 16 VAL MG2 1 63 ARG HD3 . . 4.700 3.996 2.678 4.671 . 0 0 "[ . 1 . 2]" 1
207 1 16 VAL MG2 1 63 ARG QG . . 3.430 2.350 1.806 3.370 . 0 0 "[ . 1 . 2]" 1
208 1 17 TRP H 1 17 TRP QB . . 3.590 2.557 2.395 2.735 . 0 0 "[ . 1 . 2]" 1
209 1 17 TRP H 1 31 ALA HA . . 4.530 4.245 3.759 4.529 . 0 0 "[ . 1 . 2]" 1
210 1 17 TRP H 1 31 ALA MB . . 4.560 4.099 3.756 4.417 . 0 0 "[ . 1 . 2]" 1
211 1 17 TRP H 1 62 VAL HA . . 4.600 4.161 3.798 4.594 . 0 0 "[ . 1 . 2]" 1
212 1 17 TRP HA 1 17 TRP HD1 . . 4.230 3.692 2.951 4.231 0.001 19 0 "[ . 1 . 2]" 1
213 1 17 TRP HA 1 17 TRP HE3 . . 4.490 3.653 2.904 4.490 . 0 0 "[ . 1 . 2]" 1
214 1 17 TRP HA 1 18 ASP H . . 3.130 2.190 2.139 2.434 . 0 0 "[ . 1 . 2]" 1
215 1 17 TRP HA 1 18 ASP QB . . 5.010 4.537 4.275 4.687 . 0 0 "[ . 1 . 2]" 1
216 1 17 TRP HA 1 31 ALA MB . . 3.320 2.931 1.978 3.318 . 0 0 "[ . 1 . 2]" 1
217 1 17 TRP QB 1 18 ASP H . . 3.780 3.141 2.335 3.575 . 0 0 "[ . 1 . 2]" 1
218 1 17 TRP QB 1 61 PHE QD . . 4.150 3.026 1.991 3.657 . 0 0 "[ . 1 . 2]" 1
219 1 17 TRP HB2 1 18 ASP H . . 4.590 4.238 3.572 4.492 . 0 0 "[ . 1 . 2]" 1
220 1 17 TRP HB2 1 61 PHE QD . . 4.750 3.259 2.265 3.977 . 0 0 "[ . 1 . 2]" 1
221 1 17 TRP HB3 1 18 ASP H . . 4.590 3.243 2.367 3.760 . 0 0 "[ . 1 . 2]" 1
222 1 17 TRP HB3 1 61 PHE QD . . 4.750 3.709 2.208 4.654 . 0 0 "[ . 1 . 2]" 1
223 1 18 ASP H 1 18 ASP QB . . 3.460 2.599 2.289 2.840 . 0 0 "[ . 1 . 2]" 1
224 1 18 ASP H 1 31 ALA H . . 4.630 3.576 2.920 4.306 . 0 0 "[ . 1 . 2]" 1
225 1 18 ASP H 1 31 ALA MB . . 3.710 2.790 1.908 3.550 . 0 0 "[ . 1 . 2]" 1
226 1 18 ASP HA 1 19 HIS H . . 3.140 2.158 2.139 2.236 . 0 0 "[ . 1 . 2]" 1
227 1 18 ASP HA 1 29 PHE QD . . 4.210 3.789 3.200 4.210 . 0 0 "[ . 1 . 2]" 1
228 1 18 ASP HA 1 30 LYS HA . . 3.090 2.452 2.001 3.090 0.000 6 0 "[ . 1 . 2]" 1
229 1 18 ASP HA 1 30 LYS QB . . 4.760 4.207 3.598 4.758 . 0 0 "[ . 1 . 2]" 1
230 1 18 ASP HA 1 31 ALA H . . 3.590 2.673 2.235 3.275 . 0 0 "[ . 1 . 2]" 1
231 1 18 ASP HA 1 31 ALA MB . . 4.440 3.625 3.085 3.993 . 0 0 "[ . 1 . 2]" 1
232 1 18 ASP QB 1 19 HIS H . . 3.850 3.289 2.829 3.694 . 0 0 "[ . 1 . 2]" 1
233 1 18 ASP QB 1 19 HIS HA . . 5.320 4.413 4.135 4.684 . 0 0 "[ . 1 . 2]" 1
234 1 18 ASP QB 1 20 VAL QG . . 3.250 2.839 2.354 3.238 . 0 0 "[ . 1 . 2]" 1
235 1 18 ASP QB 1 30 LYS HA . . 3.830 2.762 2.122 3.519 . 0 0 "[ . 1 . 2]" 1
236 1 18 ASP QB 1 31 ALA H . . 4.540 2.751 1.904 3.946 . 0 0 "[ . 1 . 2]" 1
237 1 19 HIS H 1 29 PHE H . . 3.910 3.741 3.259 3.911 0.001 16 0 "[ . 1 . 2]" 1
238 1 19 HIS H 1 29 PHE QD . . 4.370 3.267 2.581 3.721 . 0 0 "[ . 1 . 2]" 1
239 1 19 HIS H 1 30 LYS HA . . 4.200 3.368 2.815 4.024 . 0 0 "[ . 1 . 2]" 1
240 1 19 HIS HA 1 19 HIS HD2 . . 3.750 2.760 2.404 3.174 . 0 0 "[ . 1 . 2]" 1
241 1 19 HIS HA 1 20 VAL H . . 3.130 2.341 2.141 2.551 . 0 0 "[ . 1 . 2]" 1
242 1 19 HIS HA 1 61 PHE QD . . 4.650 3.495 2.911 3.996 . 0 0 "[ . 1 . 2]" 1
243 1 19 HIS HA 1 61 PHE QE . . 4.080 3.774 2.372 4.082 0.002 10 0 "[ . 1 . 2]" 1
244 1 19 HIS QB 1 29 PHE H . . 3.680 3.323 2.451 3.654 . 0 0 "[ . 1 . 2]" 1
245 1 19 HIS QB 1 29 PHE QD . . 4.440 3.392 3.093 3.826 . 0 0 "[ . 1 . 2]" 1
246 1 19 HIS QB 1 61 PHE QD . . 4.050 2.692 1.988 3.087 . 0 0 "[ . 1 . 2]" 1
247 1 19 HIS QB 1 61 PHE QE . . 4.850 4.208 2.965 4.839 . 0 0 "[ . 1 . 2]" 1
248 1 19 HIS HB2 1 29 PHE QE . . 4.830 2.915 2.316 3.622 . 0 0 "[ . 1 . 2]" 1
249 1 19 HIS HB2 1 29 PHE HZ . . 5.230 3.281 2.404 3.918 . 0 0 "[ . 1 . 2]" 1
250 1 19 HIS HB2 1 61 PHE QD . . 4.760 2.718 1.999 3.128 . 0 0 "[ . 1 . 2]" 1
251 1 19 HIS HB3 1 29 PHE QE . . 4.830 2.898 2.286 3.282 . 0 0 "[ . 1 . 2]" 1
252 1 19 HIS HB3 1 29 PHE HZ . . 5.230 3.181 2.730 3.909 . 0 0 "[ . 1 . 2]" 1
253 1 19 HIS HB3 1 61 PHE QD . . 4.760 4.397 3.495 4.758 . 0 0 "[ . 1 . 2]" 1
254 1 19 HIS HD2 1 20 VAL H . . 5.030 4.372 2.956 4.934 . 0 0 "[ . 1 . 2]" 1
255 1 19 HIS HD2 1 61 PHE QD . . 4.660 3.619 2.532 4.229 . 0 0 "[ . 1 . 2]" 1
256 1 19 HIS HD2 1 61 PHE QE . . 4.240 3.510 2.169 4.238 . 0 0 "[ . 1 . 2]" 1
257 1 19 HIS HE1 1 21 THR MG . . 4.170 2.956 2.190 4.164 . 0 0 "[ . 1 . 2]" 1
258 1 19 HIS HE1 1 26 GLU QB . . 4.040 3.661 2.896 3.995 . 0 0 "[ . 1 . 2]" 1
259 1 19 HIS HE1 1 57 PHE HA . . 4.530 3.988 3.619 4.525 . 0 0 "[ . 1 . 2]" 1
260 1 19 HIS HE1 1 58 PRO HD2 . . 5.280 3.982 3.474 4.651 . 0 0 "[ . 1 . 2]" 1
261 1 19 HIS HE1 1 58 PRO QD . . 4.480 2.928 2.364 3.785 . 0 0 "[ . 1 . 2]" 1
262 1 19 HIS HE1 1 58 PRO HD3 . . 5.280 3.071 2.400 4.279 . 0 0 "[ . 1 . 2]" 1
263 1 20 VAL H 1 20 VAL HB . . 3.750 3.416 2.477 3.749 . 0 0 "[ . 1 . 2]" 1
264 1 20 VAL H 1 20 VAL MG1 . . 4.140 2.750 1.954 3.777 . 0 0 "[ . 1 . 2]" 1
265 1 20 VAL H 1 20 VAL QG . . 3.220 1.985 1.834 2.451 . 0 0 "[ . 1 . 2]" 1
266 1 20 VAL H 1 20 VAL MG2 . . 4.140 2.098 1.862 2.483 . 0 0 "[ . 1 . 2]" 1
267 1 20 VAL HA 1 20 VAL MG1 . . 3.240 2.307 2.027 2.434 . 0 0 "[ . 1 . 2]" 1
268 1 20 VAL HA 1 20 VAL MG2 . . 3.240 3.034 2.396 3.199 . 0 0 "[ . 1 . 2]" 1
269 1 20 VAL HA 1 21 THR H . . 3.050 2.235 2.140 2.413 . 0 0 "[ . 1 . 2]" 1
270 1 20 VAL HA 1 21 THR MG . . 4.510 3.526 2.989 4.211 . 0 0 "[ . 1 . 2]" 1
271 1 20 VAL HA 1 28 ALA MB . . 3.880 3.351 1.981 3.860 . 0 0 "[ . 1 . 2]" 1
272 1 20 VAL HA 1 29 PHE H . . 4.740 4.169 2.551 4.722 . 0 0 "[ . 1 . 2]" 1
273 1 20 VAL HB 1 21 THR H . . 4.820 3.281 2.554 4.293 . 0 0 "[ . 1 . 2]" 1
274 1 20 VAL QG 1 21 THR H . . 4.090 3.248 2.225 3.742 . 0 0 "[ . 1 . 2]" 1
275 1 20 VAL QG 1 21 THR HA . . 4.960 3.799 3.454 4.412 . 0 0 "[ . 1 . 2]" 1
276 1 21 THR H 1 21 THR MG . . 3.730 2.484 1.976 3.005 . 0 0 "[ . 1 . 2]" 1
277 1 21 THR H 1 28 ALA MB . . 3.810 2.986 1.910 3.596 . 0 0 "[ . 1 . 2]" 1
278 1 21 THR HB 1 23 ALA H . . 4.820 4.114 2.559 4.811 . 0 0 "[ . 1 . 2]" 1
279 1 21 THR HB 1 26 GLU QB . . 4.530 3.570 2.065 4.529 . 0 0 "[ . 1 . 2]" 1
280 1 21 THR MG 1 23 ALA H . . 4.670 3.839 2.626 4.670 . 0 0 "[ . 1 . 2]" 1
281 1 21 THR MG 1 26 GLU QB . . 3.590 2.266 1.917 3.438 . 0 0 "[ . 1 . 2]" 1
282 1 21 THR MG 1 28 ALA H . . 4.780 4.027 2.822 4.652 . 0 0 "[ . 1 . 2]" 1
283 1 21 THR MG 1 28 ALA HA . . 3.600 2.782 1.990 3.155 . 0 0 "[ . 1 . 2]" 1
284 1 21 THR MG 1 28 ALA MB . . 3.260 2.570 1.851 3.247 . 0 0 "[ . 1 . 2]" 1
285 1 21 THR MG 1 29 PHE H . . 4.660 4.227 3.512 4.621 . 0 0 "[ . 1 . 2]" 1
286 1 22 MET H 1 23 ALA H . . 4.260 2.757 2.146 3.335 . 0 0 "[ . 1 . 2]" 1
287 1 22 MET HA 1 22 MET HG2 . . 4.180 3.252 2.364 3.751 . 0 0 "[ . 1 . 2]" 1
288 1 22 MET HA 1 22 MET QG . . 3.650 2.640 2.184 3.387 . 0 0 "[ . 1 . 2]" 1
289 1 22 MET HA 1 22 MET HG3 . . 4.180 2.978 2.222 4.180 0.000 1 0 "[ . 1 . 2]" 1
290 1 23 ALA H 1 23 ALA MB . . 3.530 2.344 2.076 2.888 . 0 0 "[ . 1 . 2]" 1
291 1 23 ALA MB 1 26 GLU H . . 4.990 3.310 2.227 4.816 . 0 0 "[ . 1 . 2]" 1
292 1 23 ALA MB 1 26 GLU QB . . 3.960 2.732 2.105 3.961 0.001 13 0 "[ . 1 . 2]" 1
293 1 23 ALA MB 1 26 GLU QG . . 3.980 2.944 1.747 3.839 . 0 0 "[ . 1 . 2]" 1
294 1 25 ARG H 1 26 GLU H . . 4.970 3.051 1.799 4.225 . 0 0 "[ . 1 . 2]" 1
295 1 25 ARG HA 1 25 ARG QD . . 4.990 3.758 2.269 4.518 . 0 0 "[ . 1 . 2]" 1
296 1 26 GLU H 1 26 GLU QG . . 4.590 2.950 1.984 4.280 . 0 0 "[ . 1 . 2]" 1
297 1 26 GLU QB 1 27 LEU H . . 4.540 2.878 2.143 3.611 . 0 0 "[ . 1 . 2]" 1
298 1 27 LEU H 1 27 LEU MD1 . . 4.770 4.061 3.534 4.334 . 0 0 "[ . 1 . 2]" 1
299 1 27 LEU H 1 27 LEU QD . . 4.030 3.678 3.350 3.933 . 0 0 "[ . 1 . 2]" 1
300 1 27 LEU H 1 27 LEU MD2 . . 4.770 4.247 3.557 4.570 . 0 0 "[ . 1 . 2]" 1
301 1 27 LEU HA 1 27 LEU MD1 . . 4.450 2.472 1.954 3.667 . 0 0 "[ . 1 . 2]" 1
302 1 27 LEU HA 1 27 LEU QD . . 2.980 2.231 1.888 2.859 . 0 0 "[ . 1 . 2]" 1
303 1 27 LEU HA 1 27 LEU MD2 . . 4.450 3.496 1.919 3.952 . 0 0 "[ . 1 . 2]" 1
304 1 27 LEU HA 1 27 LEU HG . . 4.090 2.903 2.282 3.703 . 0 0 "[ . 1 . 2]" 1
305 1 27 LEU HA 1 28 ALA H . . 3.150 2.176 2.140 2.239 . 0 0 "[ . 1 . 2]" 1
306 1 27 LEU HA 1 28 ALA MB . . 4.070 4.018 3.945 4.072 0.002 16 0 "[ . 1 . 2]" 1
307 1 27 LEU HA 1 55 GLY QA . . 4.760 3.637 3.089 4.214 . 0 0 "[ . 1 . 2]" 1
308 1 27 LEU QB 1 29 PHE QE . . 4.550 2.987 2.262 3.516 . 0 0 "[ . 1 . 2]" 1
309 1 27 LEU QB 1 55 GLY QA . . 4.160 2.477 1.982 3.015 . 0 0 "[ . 1 . 2]" 1
310 1 27 LEU QB 1 57 PHE QB . . 4.620 2.568 2.045 3.208 . 0 0 "[ . 1 . 2]" 1
311 1 27 LEU QB 1 57 PHE QD . . 4.460 3.958 3.302 4.461 0.001 6 0 "[ . 1 . 2]" 1
312 1 27 LEU HB2 1 29 PHE QE . . 5.350 4.690 3.832 5.205 . 0 0 "[ . 1 . 2]" 1
313 1 27 LEU HB3 1 29 PHE QE . . 5.350 3.023 2.278 3.575 . 0 0 "[ . 1 . 2]" 1
314 1 27 LEU QD 1 28 ALA H . . 3.470 3.174 2.609 3.465 . 0 0 "[ . 1 . 2]" 1
315 1 27 LEU QD 1 29 PHE QD . . 3.670 2.539 1.812 3.299 . 0 0 "[ . 1 . 2]" 1
316 1 27 LEU QD 1 29 PHE QE . . 4.040 2.870 2.121 3.414 . 0 0 "[ . 1 . 2]" 1
317 1 27 LEU QD 1 35 ILE MD . . 3.680 3.201 2.306 3.671 . 0 0 "[ . 1 . 2]" 1
318 1 27 LEU QD 1 35 ILE QG . . 4.080 2.610 1.718 3.551 . 0 0 "[ . 1 . 2]" 1
319 1 27 LEU QD 1 35 ILE MG . . 3.470 2.466 2.163 2.854 . 0 0 "[ . 1 . 2]" 1
320 1 27 LEU QD 1 48 GLY HA2 . . 5.010 4.125 3.245 4.916 . 0 0 "[ . 1 . 2]" 1
321 1 27 LEU QD 1 48 GLY HA3 . . 4.420 2.870 1.911 3.752 . 0 0 "[ . 1 . 2]" 1
322 1 27 LEU QD 1 49 GLN H . . 5.200 4.157 3.440 4.745 . 0 0 "[ . 1 . 2]" 1
323 1 27 LEU QD 1 49 GLN HA . . 4.280 3.654 2.840 4.190 . 0 0 "[ . 1 . 2]" 1
324 1 27 LEU QD 1 50 ILE H . . 3.660 3.440 2.881 3.661 0.001 7 0 "[ . 1 . 2]" 1
325 1 27 LEU QD 1 50 ILE HB . . 3.680 3.239 2.792 3.680 0.000 13 0 "[ . 1 . 2]" 1
326 1 27 LEU QD 1 50 ILE MD . . 3.770 1.943 1.669 2.460 . 0 0 "[ . 1 . 2]" 1
327 1 27 LEU QD 1 50 ILE QG . . 3.500 2.356 2.025 2.719 . 0 0 "[ . 1 . 2]" 1
328 1 27 LEU QD 1 53 GLU QB . . 3.200 2.159 1.867 3.147 . 0 0 "[ . 1 . 2]" 1
329 1 27 LEU QD 1 53 GLU QG . . 4.830 3.623 3.165 4.419 . 0 0 "[ . 1 . 2]" 1
330 1 27 LEU QD 1 54 GLU H . . 4.220 2.914 2.420 4.047 . 0 0 "[ . 1 . 2]" 1
331 1 27 LEU QD 1 54 GLU HA . . 3.270 2.464 1.962 2.916 . 0 0 "[ . 1 . 2]" 1
332 1 27 LEU QD 1 55 GLY H . . 4.200 2.467 1.980 3.237 . 0 0 "[ . 1 . 2]" 1
333 1 27 LEU QD 1 57 PHE QD . . 4.410 2.743 2.034 3.598 . 0 0 "[ . 1 . 2]" 1
334 1 27 LEU QD 1 57 PHE QE . . 4.920 4.167 3.280 4.910 . 0 0 "[ . 1 . 2]" 1
335 1 27 LEU MD1 1 29 PHE QD . . 4.300 3.729 1.814 4.261 . 0 0 "[ . 1 . 2]" 1
336 1 27 LEU MD1 1 49 GLN HA . . 5.060 4.255 3.270 5.040 . 0 0 "[ . 1 . 2]" 1
337 1 27 LEU MD1 1 50 ILE H . . 4.780 3.829 3.220 4.671 . 0 0 "[ . 1 . 2]" 1
338 1 27 LEU MD1 1 54 GLU HA . . 4.550 2.739 1.975 4.550 . 0 0 "[ . 1 . 2]" 1
339 1 27 LEU MD2 1 29 PHE QD . . 4.300 2.847 1.857 4.234 . 0 0 "[ . 1 . 2]" 1
340 1 27 LEU MD2 1 49 GLN HA . . 5.060 4.245 2.858 5.063 0.003 5 0 "[ . 1 . 2]" 1
341 1 27 LEU MD2 1 50 ILE H . . 4.780 4.066 2.911 4.472 . 0 0 "[ . 1 . 2]" 1
342 1 27 LEU MD2 1 54 GLU HA . . 4.550 3.481 2.282 4.130 . 0 0 "[ . 1 . 2]" 1
343 1 27 LEU HG 1 29 PHE QD . . 4.360 2.926 2.041 4.364 0.004 17 0 "[ . 1 . 2]" 1
344 1 28 ALA H 1 28 ALA MB . . 3.110 2.217 2.081 2.461 . 0 0 "[ . 1 . 2]" 1
345 1 28 ALA H 1 53 GLU QB . . 4.980 4.515 3.543 4.981 0.001 16 0 "[ . 1 . 2]" 1
346 1 28 ALA HA 1 29 PHE H . . 3.090 2.220 2.142 2.356 . 0 0 "[ . 1 . 2]" 1
347 1 28 ALA HA 1 29 PHE QD . . 4.980 3.659 3.223 4.337 . 0 0 "[ . 1 . 2]" 1
348 1 28 ALA MB 1 29 PHE H . . 3.520 2.951 2.555 3.381 . 0 0 "[ . 1 . 2]" 1
349 1 29 PHE H 1 29 PHE QD . . 4.380 3.234 2.963 3.462 . 0 0 "[ . 1 . 2]" 1
350 1 29 PHE H 1 30 LYS H . . 4.720 4.370 4.163 4.444 . 0 0 "[ . 1 . 2]" 1
351 1 29 PHE QB 1 30 LYS H . . 3.370 2.287 1.984 2.902 . 0 0 "[ . 1 . 2]" 1
352 1 29 PHE QB 1 33 ASP H . . 4.690 4.213 3.908 4.586 . 0 0 "[ . 1 . 2]" 1
353 1 29 PHE QB 1 33 ASP HB2 . . 3.960 2.407 1.990 3.355 . 0 0 "[ . 1 . 2]" 1
354 1 29 PHE QB 1 33 ASP HB3 . . 3.960 3.082 2.739 3.695 . 0 0 "[ . 1 . 2]" 1
355 1 29 PHE QB 1 35 ILE MD . . 3.950 2.997 2.395 3.599 . 0 0 "[ . 1 . 2]" 1
356 1 29 PHE QB 1 50 ILE MD . . 3.230 2.646 2.298 2.979 . 0 0 "[ . 1 . 2]" 1
357 1 29 PHE QD 1 30 LYS H . . 4.370 3.520 2.947 4.108 . 0 0 "[ . 1 . 2]" 1
358 1 29 PHE QD 1 31 ALA H . . 5.260 4.775 4.048 5.261 0.001 20 0 "[ . 1 . 2]" 1
359 1 29 PHE QD 1 35 ILE MD . . 3.590 3.035 2.425 3.420 . 0 0 "[ . 1 . 2]" 1
360 1 29 PHE QD 1 50 ILE MD . . 3.790 3.160 2.310 3.682 . 0 0 "[ . 1 . 2]" 1
361 1 29 PHE QE 1 35 ILE MD . . 4.010 3.320 2.769 4.008 . 0 0 "[ . 1 . 2]" 1
362 1 29 PHE QE 1 57 PHE HA . . 5.380 3.283 2.623 4.148 . 0 0 "[ . 1 . 2]" 1
363 1 29 PHE QE 1 57 PHE HB2 . . 4.060 2.097 1.998 2.389 . 0 0 "[ . 1 . 2]" 1
364 1 29 PHE QE 1 57 PHE HB3 . . 4.060 2.507 2.129 3.184 . 0 0 "[ . 1 . 2]" 1
365 1 29 PHE QE 1 58 PRO HD2 . . 5.500 2.923 1.999 3.854 . 0 0 "[ . 1 . 2]" 1
366 1 29 PHE QE 1 58 PRO QD . . 4.680 2.865 1.977 3.765 . 0 0 "[ . 1 . 2]" 1
367 1 29 PHE QE 1 58 PRO HD3 . . 5.500 4.129 3.069 5.280 . 0 0 "[ . 1 . 2]" 1
368 1 29 PHE QE 1 61 PHE HB2 . . 5.130 4.401 3.878 5.057 . 0 0 "[ . 1 . 2]" 1
369 1 29 PHE QE 1 61 PHE QB . . 4.290 3.400 2.864 4.032 . 0 0 "[ . 1 . 2]" 1
370 1 29 PHE QE 1 61 PHE HB3 . . 5.130 3.544 2.950 4.236 . 0 0 "[ . 1 . 2]" 1
371 1 29 PHE QE 1 62 VAL MG1 . . 3.820 3.133 2.708 3.696 . 0 0 "[ . 1 . 2]" 1
372 1 29 PHE HZ 1 57 PHE HB2 . . 5.200 2.566 2.025 3.247 . 0 0 "[ . 1 . 2]" 1
373 1 29 PHE HZ 1 57 PHE QB . . 4.530 2.541 2.012 3.204 . 0 0 "[ . 1 . 2]" 1
374 1 29 PHE HZ 1 57 PHE HB3 . . 5.200 4.104 3.494 4.922 . 0 0 "[ . 1 . 2]" 1
375 1 29 PHE HZ 1 57 PHE QD . . 4.210 3.339 2.212 3.947 . 0 0 "[ . 1 . 2]" 1
376 1 29 PHE HZ 1 58 PRO HD2 . . 4.890 2.326 2.000 2.978 . 0 0 "[ . 1 . 2]" 1
377 1 29 PHE HZ 1 58 PRO HD3 . . 4.890 3.964 3.399 4.749 . 0 0 "[ . 1 . 2]" 1
378 1 29 PHE HZ 1 61 PHE HB2 . . 4.510 3.919 3.400 4.418 . 0 0 "[ . 1 . 2]" 1
379 1 29 PHE HZ 1 61 PHE QB . . 3.900 3.521 3.021 3.899 . 0 0 "[ . 1 . 2]" 1
380 1 29 PHE HZ 1 61 PHE HB3 . . 4.510 3.996 3.381 4.493 . 0 0 "[ . 1 . 2]" 1
381 1 29 PHE HZ 1 62 VAL MG1 . . 3.620 3.225 2.644 3.620 0.000 8 0 "[ . 1 . 2]" 1
382 1 30 LYS H 1 30 LYS QB . . 3.510 2.648 2.394 3.138 . 0 0 "[ . 1 . 2]" 1
383 1 30 LYS H 1 30 LYS QD . . 5.220 3.847 1.867 4.881 . 0 0 "[ . 1 . 2]" 1
384 1 30 LYS H 1 30 LYS HG2 . . 4.300 3.388 1.899 4.282 . 0 0 "[ . 1 . 2]" 1
385 1 30 LYS H 1 30 LYS QG . . 3.760 2.851 1.888 3.477 . 0 0 "[ . 1 . 2]" 1
386 1 30 LYS H 1 30 LYS HG3 . . 4.300 3.447 2.690 4.218 . 0 0 "[ . 1 . 2]" 1
387 1 30 LYS H 1 33 ASP H . . 4.540 3.824 3.473 4.135 . 0 0 "[ . 1 . 2]" 1
388 1 30 LYS H 1 33 ASP HB2 . . 4.420 2.931 2.528 4.278 . 0 0 "[ . 1 . 2]" 1
389 1 30 LYS H 1 33 ASP QB . . 3.850 2.806 2.496 3.209 . 0 0 "[ . 1 . 2]" 1
390 1 30 LYS H 1 33 ASP HB3 . . 4.420 4.017 2.863 4.421 0.001 13 0 "[ . 1 . 2]" 1
391 1 30 LYS H 1 50 ILE MD . . 5.390 5.159 4.961 5.391 0.001 12 0 "[ . 1 . 2]" 1
392 1 30 LYS HA 1 30 LYS QD . . 4.180 3.514 1.993 4.187 0.007 11 0 "[ . 1 . 2]" 1
393 1 30 LYS HA 1 30 LYS HG2 . . 4.220 2.943 2.289 3.957 . 0 0 "[ . 1 . 2]" 1
394 1 30 LYS HA 1 30 LYS QG . . 3.650 2.689 2.251 3.438 . 0 0 "[ . 1 . 2]" 1
395 1 30 LYS HA 1 30 LYS HG3 . . 4.220 3.417 2.337 4.232 0.012 12 0 "[ . 1 . 2]" 1
396 1 30 LYS HA 1 31 ALA H . . 3.080 2.335 2.176 2.525 . 0 0 "[ . 1 . 2]" 1
397 1 30 LYS HA 1 31 ALA MB . . 4.910 4.122 3.995 4.196 . 0 0 "[ . 1 . 2]" 1
398 1 30 LYS QB 1 31 ALA H . . 3.540 2.583 2.146 3.068 . 0 0 "[ . 1 . 2]" 1
399 1 30 LYS QB 1 31 ALA MB . . 4.330 3.769 3.624 3.974 . 0 0 "[ . 1 . 2]" 1
400 1 30 LYS QB 1 33 ASP H . . 4.700 4.246 3.910 4.702 0.002 17 0 "[ . 1 . 2]" 1
401 1 30 LYS QD 1 31 ALA H . . 5.010 4.390 3.099 5.009 . 0 0 "[ . 1 . 2]" 1
402 1 30 LYS QG 1 31 ALA H . . 4.670 3.911 3.506 4.424 . 0 0 "[ . 1 . 2]" 1
403 1 30 LYS HG2 1 31 ALA H . . 5.390 4.326 3.753 4.897 . 0 0 "[ . 1 . 2]" 1
404 1 30 LYS HG3 1 31 ALA H . . 5.390 4.665 3.686 5.217 . 0 0 "[ . 1 . 2]" 1
405 1 31 ALA H 1 31 ALA MB . . 2.980 2.161 2.034 2.268 . 0 0 "[ . 1 . 2]" 1
406 1 31 ALA HA 1 32 GLY H . . 2.840 2.160 2.145 2.182 . 0 0 "[ . 1 . 2]" 1
407 1 31 ALA HA 1 33 ASP H . . 4.090 3.908 3.591 4.084 . 0 0 "[ . 1 . 2]" 1
408 1 31 ALA MB 1 32 GLY H . . 3.470 3.332 2.965 3.470 0.000 2 0 "[ . 1 . 2]" 1
409 1 31 ALA MB 1 32 GLY QA . . 4.790 3.757 3.657 3.814 . 0 0 "[ . 1 . 2]" 1
410 1 32 GLY H 1 33 ASP H . . 3.490 2.625 2.386 2.820 . 0 0 "[ . 1 . 2]" 1
411 1 33 ASP H 1 33 ASP HB2 . . 3.800 2.401 2.182 3.523 . 0 0 "[ . 1 . 2]" 1
412 1 33 ASP H 1 33 ASP QB . . 3.180 2.305 2.161 2.485 . 0 0 "[ . 1 . 2]" 1
413 1 33 ASP H 1 33 ASP HB3 . . 3.800 3.493 2.229 3.621 . 0 0 "[ . 1 . 2]" 1
414 1 33 ASP HA 1 34 VAL H . . 2.690 2.232 2.140 2.515 . 0 0 "[ . 1 . 2]" 1
415 1 33 ASP QB 1 34 VAL H . . 3.350 2.949 2.175 3.351 0.001 11 0 "[ . 1 . 2]" 1
416 1 33 ASP QB 1 50 ILE MD . . 3.470 3.245 2.811 3.470 0.000 18 0 "[ . 1 . 2]" 1
417 1 33 ASP HB2 1 35 ILE MD . . 4.830 3.731 2.956 4.832 0.002 11 0 "[ . 1 . 2]" 1
418 1 33 ASP HB3 1 35 ILE MD . . 4.830 3.767 2.751 4.827 . 0 0 "[ . 1 . 2]" 1
419 1 34 VAL H 1 34 VAL HB . . 3.040 2.585 2.498 2.801 . 0 0 "[ . 1 . 2]" 1
420 1 34 VAL H 1 34 VAL MG1 . . 3.980 3.630 1.891 3.875 . 0 0 "[ . 1 . 2]" 1
421 1 34 VAL H 1 34 VAL QG . . 3.070 2.485 1.886 2.864 . 0 0 "[ . 1 . 2]" 1
422 1 34 VAL H 1 34 VAL MG2 . . 3.980 2.708 2.372 3.805 . 0 0 "[ . 1 . 2]" 1
423 1 34 VAL H 1 35 ILE H . . 4.700 4.397 4.178 4.595 . 0 0 "[ . 1 . 2]" 1
424 1 34 VAL HA 1 34 VAL MG1 . . 3.200 2.436 2.287 3.199 . 0 0 "[ . 1 . 2]" 1
425 1 34 VAL HA 1 34 VAL QG . . 2.740 2.100 2.043 2.320 . 0 0 "[ . 1 . 2]" 1
426 1 34 VAL HA 1 34 VAL MG2 . . 3.200 2.327 2.239 2.452 . 0 0 "[ . 1 . 2]" 1
427 1 34 VAL HA 1 35 ILE H . . 2.880 2.155 2.140 2.264 . 0 0 "[ . 1 . 2]" 1
428 1 34 VAL HA 1 35 ILE HB . . 4.710 4.647 4.502 4.711 0.001 18 0 "[ . 1 . 2]" 1
429 1 34 VAL HA 1 35 ILE MD . . 4.680 3.610 2.699 4.549 . 0 0 "[ . 1 . 2]" 1
430 1 34 VAL HB 1 35 ILE H . . 4.620 4.218 3.969 4.371 . 0 0 "[ . 1 . 2]" 1
431 1 34 VAL QG 1 35 ILE H . . 3.260 2.525 1.969 2.855 . 0 0 "[ . 1 . 2]" 1
432 1 34 VAL QG 1 65 TRP HE1 . . 4.570 3.504 2.084 4.565 . 0 0 "[ . 1 . 2]" 1
433 1 34 VAL QG 1 65 TRP HH2 . . 4.480 3.025 2.301 3.638 . 0 0 "[ . 1 . 2]" 1
434 1 34 VAL QG 1 65 TRP HZ2 . . 4.000 2.321 1.947 3.176 . 0 0 "[ . 1 . 2]" 1
435 1 34 VAL QG 1 65 TRP HZ3 . . 5.150 4.492 3.674 5.109 . 0 0 "[ . 1 . 2]" 1
436 1 34 VAL MG1 1 35 ILE H . . 4.210 2.715 2.191 4.027 . 0 0 "[ . 1 . 2]" 1
437 1 34 VAL MG1 1 65 TRP HZ2 . . 5.020 2.756 2.032 3.950 . 0 0 "[ . 1 . 2]" 1
438 1 34 VAL MG2 1 35 ILE H . . 4.210 3.872 1.977 4.161 . 0 0 "[ . 1 . 2]" 1
439 1 34 VAL MG2 1 65 TRP HZ2 . . 5.020 2.591 2.038 3.347 . 0 0 "[ . 1 . 2]" 1
440 1 35 ILE H 1 35 ILE HB . . 3.310 2.605 2.483 2.771 . 0 0 "[ . 1 . 2]" 1
441 1 35 ILE H 1 35 ILE MD . . 3.540 2.722 1.942 3.541 0.001 18 0 "[ . 1 . 2]" 1
442 1 35 ILE H 1 35 ILE HG12 . . 4.410 4.130 4.015 4.378 . 0 0 "[ . 1 . 2]" 1
443 1 35 ILE H 1 35 ILE QG . . 3.610 2.976 2.574 3.502 . 0 0 "[ . 1 . 2]" 1
444 1 35 ILE H 1 35 ILE HG13 . . 4.410 3.069 2.604 3.684 . 0 0 "[ . 1 . 2]" 1
445 1 35 ILE H 1 35 ILE MG . . 3.930 3.833 3.755 3.908 . 0 0 "[ . 1 . 2]" 1
446 1 35 ILE H 1 36 LYS H . . 4.880 4.410 4.203 4.562 . 0 0 "[ . 1 . 2]" 1
447 1 35 ILE HA 1 35 ILE MD . . 4.090 3.580 3.180 3.939 . 0 0 "[ . 1 . 2]" 1
448 1 35 ILE HA 1 35 ILE HG12 . . 3.920 3.230 2.822 3.556 . 0 0 "[ . 1 . 2]" 1
449 1 35 ILE HA 1 35 ILE QG . . 3.420 2.400 2.206 2.553 . 0 0 "[ . 1 . 2]" 1
450 1 35 ILE HA 1 35 ILE HG13 . . 3.920 2.537 2.231 2.833 . 0 0 "[ . 1 . 2]" 1
451 1 35 ILE HA 1 35 ILE MG . . 3.300 2.327 2.221 2.452 . 0 0 "[ . 1 . 2]" 1
452 1 35 ILE HA 1 36 LYS H . . 2.960 2.179 2.138 2.275 . 0 0 "[ . 1 . 2]" 1
453 1 35 ILE HA 1 36 LYS QB . . 4.440 4.048 3.952 4.155 . 0 0 "[ . 1 . 2]" 1
454 1 35 ILE HA 1 50 ILE HB . . 5.500 5.480 5.306 5.512 0.012 17 0 "[ . 1 . 2]" 1
455 1 35 ILE HA 1 50 ILE MD . . 4.280 3.933 3.475 4.281 0.001 6 0 "[ . 1 . 2]" 1
456 1 35 ILE HA 1 50 ILE HG12 . . 4.050 2.746 2.342 2.965 . 0 0 "[ . 1 . 2]" 1
457 1 35 ILE HA 1 50 ILE QG . . 3.550 2.657 2.322 2.828 . 0 0 "[ . 1 . 2]" 1
458 1 35 ILE HA 1 50 ILE HG13 . . 4.050 3.625 3.311 4.043 . 0 0 "[ . 1 . 2]" 1
459 1 35 ILE HB 1 35 ILE MD . . 3.210 2.235 2.097 2.309 . 0 0 "[ . 1 . 2]" 1
460 1 35 ILE HB 1 36 LYS H . . 4.380 4.100 3.714 4.363 . 0 0 "[ . 1 . 2]" 1
461 1 35 ILE MD 1 35 ILE MG . . 3.290 2.799 2.258 3.181 . 0 0 "[ . 1 . 2]" 1
462 1 35 ILE MD 1 50 ILE MD . . 3.480 3.283 2.833 3.480 0.000 16 0 "[ . 1 . 2]" 1
463 1 35 ILE MD 1 57 PHE QD . . 4.540 3.436 2.183 4.466 . 0 0 "[ . 1 . 2]" 1
464 1 35 ILE MD 1 57 PHE QE . . 4.660 3.825 2.867 4.425 . 0 0 "[ . 1 . 2]" 1
465 1 35 ILE MD 1 62 VAL MG1 . . 3.040 2.693 2.348 3.042 0.002 16 0 "[ . 1 . 2]" 1
466 1 35 ILE QG 1 35 ILE MG . . 3.260 2.065 1.946 2.193 . 0 0 "[ . 1 . 2]" 1
467 1 35 ILE QG 1 50 ILE MD . . 3.240 2.404 2.026 2.643 . 0 0 "[ . 1 . 2]" 1
468 1 35 ILE QG 1 50 ILE QG . . 3.930 2.419 2.185 2.847 . 0 0 "[ . 1 . 2]" 1
469 1 35 ILE HG12 1 50 ILE MD . . 3.850 2.782 2.266 3.446 . 0 0 "[ . 1 . 2]" 1
470 1 35 ILE HG13 1 50 ILE MD . . 3.850 2.944 2.132 3.657 . 0 0 "[ . 1 . 2]" 1
471 1 35 ILE MG 1 36 LYS H . . 3.410 2.448 1.896 3.022 . 0 0 "[ . 1 . 2]" 1
472 1 35 ILE MG 1 36 LYS HA . . 4.730 3.965 3.647 4.262 . 0 0 "[ . 1 . 2]" 1
473 1 35 ILE MG 1 37 VAL HA . . 4.590 3.629 3.325 4.106 . 0 0 "[ . 1 . 2]" 1
474 1 35 ILE MG 1 37 VAL QG . . 3.470 3.163 2.688 3.455 . 0 0 "[ . 1 . 2]" 1
475 1 35 ILE MG 1 48 GLY HA2 . . 4.020 2.505 2.106 3.037 . 0 0 "[ . 1 . 2]" 1
476 1 35 ILE MG 1 48 GLY HA3 . . 3.600 1.940 1.835 2.345 . 0 0 "[ . 1 . 2]" 1
477 1 35 ILE MG 1 49 GLN H . . 3.560 2.343 1.913 2.948 . 0 0 "[ . 1 . 2]" 1
478 1 35 ILE MG 1 50 ILE QG . . 3.980 2.700 2.108 3.340 . 0 0 "[ . 1 . 2]" 1
479 1 35 ILE MG 1 57 PHE QE . . 3.830 2.606 1.843 3.337 . 0 0 "[ . 1 . 2]" 1
480 1 35 ILE MG 1 57 PHE HZ . . 4.000 3.456 2.274 4.001 0.001 16 0 "[ . 1 . 2]" 1
481 1 36 LYS H 1 36 LYS HB2 . . 3.710 2.547 2.176 2.904 . 0 0 "[ . 1 . 2]" 1
482 1 36 LYS H 1 36 LYS QB . . 3.180 2.303 2.156 2.428 . 0 0 "[ . 1 . 2]" 1
483 1 36 LYS H 1 36 LYS HB3 . . 3.710 2.741 2.400 3.487 . 0 0 "[ . 1 . 2]" 1
484 1 36 LYS H 1 36 LYS HG2 . . 4.790 4.545 4.258 4.710 . 0 0 "[ . 1 . 2]" 1
485 1 36 LYS H 1 36 LYS QG . . 4.180 3.925 3.021 4.094 . 0 0 "[ . 1 . 2]" 1
486 1 36 LYS H 1 36 LYS HG3 . . 4.790 4.334 3.090 4.710 . 0 0 "[ . 1 . 2]" 1
487 1 36 LYS H 1 37 VAL H . . 5.240 4.292 4.100 4.564 . 0 0 "[ . 1 . 2]" 1
488 1 36 LYS H 1 49 GLN H . . 3.740 2.750 2.135 3.230 . 0 0 "[ . 1 . 2]" 1
489 1 36 LYS HA 1 36 LYS HG2 . . 4.210 3.171 2.606 3.811 . 0 0 "[ . 1 . 2]" 1
490 1 36 LYS HA 1 36 LYS HG3 . . 4.210 2.486 2.255 2.897 . 0 0 "[ . 1 . 2]" 1
491 1 36 LYS HA 1 37 VAL H . . 3.020 2.170 2.141 2.199 . 0 0 "[ . 1 . 2]" 1
492 1 36 LYS HA 1 37 VAL QG . . 4.130 3.689 3.495 3.851 . 0 0 "[ . 1 . 2]" 1
493 1 36 LYS QB 1 36 LYS QE . . 4.160 2.952 2.016 3.672 . 0 0 "[ . 1 . 2]" 1
494 1 36 LYS QB 1 38 LEU MD2 . . 5.020 3.268 2.648 4.137 . 0 0 "[ . 1 . 2]" 1
495 1 36 LYS QB 1 49 GLN H . . 4.040 3.093 2.652 3.501 . 0 0 "[ . 1 . 2]" 1
496 1 36 LYS HB2 1 49 GLN H . . 4.910 4.259 2.892 4.762 . 0 0 "[ . 1 . 2]" 1
497 1 36 LYS HB3 1 49 GLN H . . 4.910 3.241 2.683 3.878 . 0 0 "[ . 1 . 2]" 1
498 1 36 LYS QE 1 36 LYS QG . . 3.470 2.225 2.090 2.516 . 0 0 "[ . 1 . 2]" 1
499 1 36 LYS QE 1 38 LEU MD2 . . 4.700 3.745 2.322 4.697 . 0 0 "[ . 1 . 2]" 1
500 1 36 LYS QG 1 37 VAL H . . 4.380 3.323 2.735 4.089 . 0 0 "[ . 1 . 2]" 1
501 1 36 LYS HG2 1 37 VAL H . . 5.040 4.019 3.061 5.036 . 0 0 "[ . 1 . 2]" 1
502 1 36 LYS HG3 1 37 VAL H . . 5.040 3.700 2.993 4.748 . 0 0 "[ . 1 . 2]" 1
503 1 37 VAL H 1 37 VAL HB . . 3.540 2.595 2.500 2.782 . 0 0 "[ . 1 . 2]" 1
504 1 37 VAL H 1 37 VAL MG1 . . 4.290 3.771 3.732 3.810 . 0 0 "[ . 1 . 2]" 1
505 1 37 VAL H 1 37 VAL QG . . 3.170 2.181 1.945 2.584 . 0 0 "[ . 1 . 2]" 1
506 1 37 VAL H 1 37 VAL MG2 . . 4.290 2.196 1.952 2.630 . 0 0 "[ . 1 . 2]" 1
507 1 37 VAL HA 1 37 VAL MG1 . . 3.320 2.291 2.126 2.462 . 0 0 "[ . 1 . 2]" 1
508 1 37 VAL HA 1 37 VAL MG2 . . 3.320 2.375 2.269 2.478 . 0 0 "[ . 1 . 2]" 1
509 1 37 VAL HA 1 38 LEU H . . 3.140 2.159 2.141 2.257 . 0 0 "[ . 1 . 2]" 1
510 1 37 VAL HA 1 39 ASP H . . 4.450 4.147 3.581 4.450 . 11 0 "[ . 1 . 2]" 1
511 1 37 VAL HA 1 48 GLY HA2 . . 3.930 2.632 2.178 3.277 . 0 0 "[ . 1 . 2]" 1
512 1 37 VAL QG 1 38 LEU H . . 3.500 2.615 2.058 3.121 . 0 0 "[ . 1 . 2]" 1
513 1 37 VAL QG 1 38 LEU HA . . 4.630 3.947 3.609 4.247 . 0 0 "[ . 1 . 2]" 1
514 1 37 VAL QG 1 39 ASP H . . 3.750 3.004 2.448 3.469 . 0 0 "[ . 1 . 2]" 1
515 1 37 VAL QG 1 40 ALA HA . . 4.390 3.484 2.853 3.851 . 0 0 "[ . 1 . 2]" 1
516 1 37 VAL QG 1 40 ALA MB . . 3.020 2.208 1.759 2.760 . 0 0 "[ . 1 . 2]" 1
517 1 37 VAL QG 1 46 TRP QB . . 3.550 2.485 1.823 3.306 . 0 0 "[ . 1 . 2]" 1
518 1 37 VAL QG 1 46 TRP HE3 . . 3.290 2.500 1.966 3.022 . 0 0 "[ . 1 . 2]" 1
519 1 37 VAL QG 1 46 TRP HZ3 . . 3.680 3.370 2.850 3.673 . 0 0 "[ . 1 . 2]" 1
520 1 37 VAL QG 1 47 TRP H . . 4.640 3.523 2.694 4.116 . 0 0 "[ . 1 . 2]" 1
521 1 37 VAL QG 1 48 GLY HA2 . . 4.330 3.480 3.041 3.902 . 0 0 "[ . 1 . 2]" 1
522 1 37 VAL QG 1 57 PHE QE . . 3.920 2.764 2.373 3.380 . 0 0 "[ . 1 . 2]" 1
523 1 37 VAL QG 1 57 PHE HZ . . 3.220 2.023 1.771 2.553 . 0 0 "[ . 1 . 2]" 1
524 1 37 VAL MG1 1 38 LEU H . . 4.200 2.649 2.066 3.220 . 0 0 "[ . 1 . 2]" 1
525 1 37 VAL MG1 1 40 ALA MB . . 4.510 2.221 1.766 2.793 . 0 0 "[ . 1 . 2]" 1
526 1 37 VAL MG1 1 46 TRP HE3 . . 3.760 3.014 2.552 3.613 . 0 0 "[ . 1 . 2]" 1
527 1 37 VAL MG1 1 46 TRP HZ3 . . 4.420 4.227 3.305 4.420 . 4 0 "[ . 1 . 2]" 1
528 1 37 VAL MG1 1 48 GLY HA2 . . 5.380 4.147 3.754 4.714 . 0 0 "[ . 1 . 2]" 1
529 1 37 VAL MG1 1 57 PHE QE . . 4.840 3.626 2.708 4.329 . 0 0 "[ . 1 . 2]" 1
530 1 37 VAL MG1 1 57 PHE HZ . . 4.310 3.434 2.857 4.128 . 0 0 "[ . 1 . 2]" 1
531 1 37 VAL MG2 1 38 LEU H . . 4.200 4.117 3.863 4.202 0.002 19 0 "[ . 1 . 2]" 1
532 1 37 VAL MG2 1 40 ALA MB . . 4.510 3.922 3.285 4.482 . 0 0 "[ . 1 . 2]" 1
533 1 37 VAL MG2 1 46 TRP HE3 . . 3.760 2.719 2.021 3.447 . 0 0 "[ . 1 . 2]" 1
534 1 37 VAL MG2 1 46 TRP HZ3 . . 4.420 3.559 3.050 3.968 . 0 0 "[ . 1 . 2]" 1
535 1 37 VAL MG2 1 48 GLY HA2 . . 5.380 3.764 3.191 4.271 . 0 0 "[ . 1 . 2]" 1
536 1 37 VAL MG2 1 57 PHE QE . . 4.840 2.899 2.516 3.716 . 0 0 "[ . 1 . 2]" 1
537 1 37 VAL MG2 1 57 PHE HZ . . 4.310 2.042 1.788 2.642 . 0 0 "[ . 1 . 2]" 1
538 1 38 LEU H 1 38 LEU MD2 . . 4.470 3.422 2.940 3.979 . 0 0 "[ . 1 . 2]" 1
539 1 38 LEU H 1 38 LEU HG . . 3.790 2.546 2.126 2.998 . 0 0 "[ . 1 . 2]" 1
540 1 38 LEU H 1 39 ASP H . . 3.650 2.411 2.064 2.689 . 0 0 "[ . 1 . 2]" 1
541 1 38 LEU HA 1 38 LEU MD2 . . 3.240 2.084 1.976 2.247 . 0 0 "[ . 1 . 2]" 1
542 1 38 LEU QB 1 39 ASP H . . 4.400 2.298 2.055 2.648 . 0 0 "[ . 1 . 2]" 1
543 1 38 LEU HB2 1 47 TRP HD1 . . 4.470 2.636 2.075 3.216 . 0 0 "[ . 1 . 2]" 1
544 1 38 LEU HB3 1 47 TRP HD1 . . 4.470 3.973 3.383 4.471 0.001 16 0 "[ . 1 . 2]" 1
545 1 38 LEU MD1 1 47 TRP HD1 . . 4.740 2.104 1.875 2.698 . 0 0 "[ . 1 . 2]" 1
546 1 38 LEU MD1 1 47 TRP HE1 . . 4.620 2.570 2.025 3.226 . 0 0 "[ . 1 . 2]" 1
547 1 38 LEU MD1 1 49 GLN HB2 . . 4.640 2.193 1.961 2.589 . 0 0 "[ . 1 . 2]" 1
548 1 38 LEU MD1 1 49 GLN QB . . 3.980 2.155 1.825 2.560 . 0 0 "[ . 1 . 2]" 1
549 1 38 LEU MD1 1 49 GLN HB3 . . 4.640 3.322 2.157 4.078 . 0 0 "[ . 1 . 2]" 1
550 1 38 LEU MD1 1 54 GLU QG . . 4.880 4.744 4.169 4.882 0.002 19 0 "[ . 1 . 2]" 1
551 1 38 LEU MD2 1 47 TRP HD1 . . 4.680 4.079 3.559 4.661 . 0 0 "[ . 1 . 2]" 1
552 1 38 LEU HG 1 39 ASP H . . 5.160 4.127 3.734 4.563 . 0 0 "[ . 1 . 2]" 1
553 1 38 LEU HG 1 47 TRP HD1 . . 4.070 2.750 2.001 4.041 . 0 0 "[ . 1 . 2]" 1
554 1 38 LEU HG 1 48 GLY HA2 . . 4.250 3.820 2.932 4.099 . 0 0 "[ . 1 . 2]" 1
555 1 38 LEU HG 1 48 GLY HA3 . . 5.500 5.342 4.568 5.501 0.001 5 0 "[ . 1 . 2]" 1
556 1 39 ASP H 1 47 TRP H . . 4.590 3.399 2.397 4.229 . 0 0 "[ . 1 . 2]" 1
557 1 39 ASP HA 1 40 ALA H . . 3.330 2.187 2.139 2.306 . 0 0 "[ . 1 . 2]" 1
558 1 39 ASP HA 1 40 ALA MB . . 4.580 4.006 3.886 4.264 . 0 0 "[ . 1 . 2]" 1
559 1 39 ASP QB 1 41 SER H . . 5.340 3.992 3.016 5.223 . 0 0 "[ . 1 . 2]" 1
560 1 39 ASP QB 1 47 TRP H . . 5.340 3.704 2.374 5.209 . 0 0 "[ . 1 . 2]" 1
561 1 40 ALA H 1 40 ALA MB . . 3.500 2.437 2.148 2.853 . 0 0 "[ . 1 . 2]" 1
562 1 40 ALA H 1 41 SER H . . 3.630 3.208 2.243 3.632 0.002 10 0 "[ . 1 . 2]" 1
563 1 40 ALA HA 1 46 TRP HA . . 4.420 3.391 2.639 4.323 . 0 0 "[ . 1 . 2]" 1
564 1 40 ALA HA 1 46 TRP QB . . 5.100 3.286 2.216 4.452 . 0 0 "[ . 1 . 2]" 1
565 1 40 ALA HA 1 46 TRP HD1 . . 3.840 2.721 2.046 3.400 . 0 0 "[ . 1 . 2]" 1
566 1 40 ALA HA 1 46 TRP HE1 . . 4.360 3.571 2.506 4.352 . 0 0 "[ . 1 . 2]" 1
567 1 40 ALA MB 1 41 SER H . . 4.320 3.609 2.602 3.720 . 0 0 "[ . 1 . 2]" 1
568 1 40 ALA MB 1 46 TRP HD1 . . 5.040 3.562 2.719 4.524 . 0 0 "[ . 1 . 2]" 1
569 1 40 ALA MB 1 46 TRP HE1 . . 3.880 3.105 2.106 3.882 0.002 17 0 "[ . 1 . 2]" 1
570 1 40 ALA MB 1 46 TRP HE3 . . 5.500 3.984 2.952 5.025 . 0 0 "[ . 1 . 2]" 1
571 1 40 ALA MB 1 46 TRP HZ2 . . 4.020 3.534 2.603 4.022 0.002 9 0 "[ . 1 . 2]" 1
572 1 41 SER H 1 42 ASN H . . 4.000 2.753 2.027 3.743 . 0 0 "[ . 1 . 2]" 1
573 1 41 SER QB 1 42 ASN H . . 4.670 2.692 1.965 4.035 . 0 0 "[ . 1 . 2]" 1
574 1 42 ASN H 1 42 ASN HB2 . . 3.940 2.750 2.199 3.927 . 0 0 "[ . 1 . 2]" 1
575 1 42 ASN H 1 42 ASN HB3 . . 3.940 3.420 2.825 3.921 . 0 0 "[ . 1 . 2]" 1
576 1 42 ASN HA 1 42 ASN QD . . 4.350 3.242 2.040 4.066 . 0 0 "[ . 1 . 2]" 1
577 1 42 ASN HA 1 43 LYS H . . 3.250 2.495 2.159 2.694 . 0 0 "[ . 1 . 2]" 1
578 1 42 ASN HA 1 43 LYS QB . . 4.630 4.375 4.012 4.641 0.011 13 0 "[ . 1 . 2]" 1
579 1 43 LYS H 1 43 LYS HB2 . . 3.830 2.590 2.177 3.646 . 0 0 "[ . 1 . 2]" 1
580 1 43 LYS H 1 43 LYS HB3 . . 3.830 3.086 2.436 3.601 . 0 0 "[ . 1 . 2]" 1
581 1 43 LYS H 1 43 LYS QG . . 4.210 3.456 1.979 4.218 0.008 10 0 "[ . 1 . 2]" 1
582 1 43 LYS H 1 44 ASP H . . 4.540 3.199 1.926 4.538 . 0 0 "[ . 1 . 2]" 1
583 1 43 LYS HA 1 43 LYS QG . . 3.910 2.437 2.189 3.344 . 0 0 "[ . 1 . 2]" 1
584 1 43 LYS HA 1 46 TRP HE1 . . 3.970 3.635 3.100 3.973 0.003 9 0 "[ . 1 . 2]" 1
585 1 43 LYS QB 1 44 ASP H . . 4.080 3.073 1.940 3.893 . 0 0 "[ . 1 . 2]" 1
586 1 43 LYS HB2 1 44 ASP H . . 4.670 3.718 2.169 4.380 . 0 0 "[ . 1 . 2]" 1
587 1 43 LYS HB3 1 44 ASP H . . 4.670 3.410 1.950 4.422 . 0 0 "[ . 1 . 2]" 1
588 1 43 LYS QG 1 44 ASP H . . 4.960 3.539 1.874 4.866 . 0 0 "[ . 1 . 2]" 1
589 1 44 ASP H 1 44 ASP QB . . 3.550 2.539 2.165 3.122 . 0 0 "[ . 1 . 2]" 1
590 1 44 ASP H 1 45 TRP H . . 3.640 2.550 2.024 3.037 . 0 0 "[ . 1 . 2]" 1
591 1 44 ASP HA 1 59 ALA MB . . 4.270 3.587 2.398 4.270 0.000 12 0 "[ . 1 . 2]" 1
592 1 45 TRP HA 1 45 TRP HE3 . . 4.560 2.684 2.042 4.378 . 0 0 "[ . 1 . 2]" 1
593 1 45 TRP HA 1 46 TRP H . . 3.520 2.155 2.141 2.164 . 0 0 "[ . 1 . 2]" 1
594 1 45 TRP HA 1 46 TRP HD1 . . 5.430 4.556 4.305 4.864 . 0 0 "[ . 1 . 2]" 1
595 1 45 TRP HA 1 58 PRO HA . . 4.500 4.067 2.829 4.503 0.003 13 0 "[ . 1 . 2]" 1
596 1 45 TRP HA 1 59 ALA H . . 4.870 3.983 2.642 4.870 . 0 0 "[ . 1 . 2]" 1
597 1 45 TRP HA 1 59 ALA MB . . 5.170 3.987 2.367 5.060 . 0 0 "[ . 1 . 2]" 1
598 1 45 TRP HE3 1 57 PHE HA . . 5.500 4.950 3.763 5.500 . 0 0 "[ . 1 . 2]" 1
599 1 45 TRP HZ3 1 57 PHE HA . . 4.600 3.911 2.578 4.581 . 0 0 "[ . 1 . 2]" 1
600 1 46 TRP H 1 46 TRP HD1 . . 5.250 3.759 3.599 3.960 . 0 0 "[ . 1 . 2]" 1
601 1 46 TRP HA 1 46 TRP HD1 . . 3.620 2.351 2.007 2.629 . 0 0 "[ . 1 . 2]" 1
602 1 46 TRP QB 1 47 TRP H . . 4.440 2.743 2.186 3.352 . 0 0 "[ . 1 . 2]" 1
603 1 46 TRP QB 1 57 PHE QE . . 4.880 3.166 2.411 4.031 . 0 0 "[ . 1 . 2]" 1
604 1 46 TRP QB 1 57 PHE HZ . . 5.050 3.343 2.679 4.158 . 0 0 "[ . 1 . 2]" 1
605 1 46 TRP HD1 1 59 ALA MB . . 4.930 4.462 3.903 4.932 0.002 15 0 "[ . 1 . 2]" 1
606 1 46 TRP HE1 1 59 ALA MB . . 4.360 4.289 4.079 4.362 0.002 16 0 "[ . 1 . 2]" 1
607 1 46 TRP HE3 1 57 PHE QE . . 4.460 3.386 2.357 4.461 0.001 18 0 "[ . 1 . 2]" 1
608 1 46 TRP HE3 1 62 VAL MG2 . . 4.040 3.748 2.940 4.043 0.003 19 0 "[ . 1 . 2]" 1
609 1 46 TRP HH2 1 59 ALA MB . . 4.430 3.554 2.530 4.426 . 0 0 "[ . 1 . 2]" 1
610 1 46 TRP HH2 1 64 LEU MD1 . . 3.770 2.805 1.977 3.772 0.002 17 0 "[ . 1 . 2]" 1
611 1 46 TRP HH2 1 64 LEU QD . . 3.260 2.430 1.928 3.113 . 0 0 "[ . 1 . 2]" 1
612 1 46 TRP HH2 1 64 LEU MD2 . . 3.770 2.906 2.160 3.770 . 0 0 "[ . 1 . 2]" 1
613 1 46 TRP HH2 1 64 LEU HG . . 4.340 3.944 3.286 4.339 . 0 0 "[ . 1 . 2]" 1
614 1 46 TRP HZ2 1 59 ALA MB . . 4.650 3.897 3.340 4.442 . 0 0 "[ . 1 . 2]" 1
615 1 46 TRP HZ2 1 64 LEU QD . . 5.100 4.173 3.775 4.622 . 0 0 "[ . 1 . 2]" 1
616 1 46 TRP HZ3 1 62 VAL MG2 . . 3.790 3.497 3.184 3.787 . 0 0 "[ . 1 . 2]" 1
617 1 46 TRP HZ3 1 64 LEU MD1 . . 4.280 3.308 1.968 4.278 . 0 0 "[ . 1 . 2]" 1
618 1 46 TRP HZ3 1 64 LEU QD . . 3.440 2.289 1.945 2.869 . 0 0 "[ . 1 . 2]" 1
619 1 46 TRP HZ3 1 64 LEU MD2 . . 4.280 2.479 1.955 3.728 . 0 0 "[ . 1 . 2]" 1
620 1 46 TRP HZ3 1 64 LEU HG . . 4.560 3.634 2.866 4.552 . 0 0 "[ . 1 . 2]" 1
621 1 47 TRP HA 1 56 TRP HA . . 4.090 2.577 1.997 3.700 . 0 0 "[ . 1 . 2]" 1
622 1 47 TRP HE1 1 54 GLU HB2 . . 5.370 5.368 5.333 5.375 0.005 12 0 "[ . 1 . 2]" 1
623 1 47 TRP HE1 1 54 GLU HB3 . . 4.230 3.669 3.600 3.833 . 0 0 "[ . 1 . 2]" 1
624 1 47 TRP HE1 1 54 GLU QG . . 4.710 4.322 3.404 4.711 0.001 11 0 "[ . 1 . 2]" 1
625 1 47 TRP HE3 1 48 GLY H . . 4.420 4.399 4.092 4.426 0.006 11 0 "[ . 1 . 2]" 1
626 1 47 TRP HE3 1 56 TRP HA . . 4.770 3.440 2.707 3.932 . 0 0 "[ . 1 . 2]" 1
627 1 47 TRP HE3 1 56 TRP QB . . 4.860 3.391 1.994 4.438 . 0 0 "[ . 1 . 2]" 1
628 1 47 TRP HH2 1 54 GLU HB3 . . 5.040 4.660 4.043 5.044 0.004 16 0 "[ . 1 . 2]" 1
629 1 47 TRP HZ2 1 54 GLU HB2 . . 4.420 4.092 3.855 4.421 0.001 1 0 "[ . 1 . 2]" 1
630 1 47 TRP HZ2 1 54 GLU HB3 . . 4.330 2.814 2.431 3.065 . 0 0 "[ . 1 . 2]" 1
631 1 47 TRP HZ2 1 54 GLU QG . . 4.950 4.599 3.900 4.952 0.002 11 0 "[ . 1 . 2]" 1
632 1 48 GLY H 1 57 PHE QD . . 4.790 2.833 1.997 3.655 . 0 0 "[ . 1 . 2]" 1
633 1 48 GLY HA2 1 49 GLN H . . 3.360 2.267 2.156 2.444 . 0 0 "[ . 1 . 2]" 1
634 1 48 GLY HA2 1 57 PHE QE . . 4.200 2.704 2.257 3.342 . 0 0 "[ . 1 . 2]" 1
635 1 48 GLY HA3 1 49 GLN H . . 3.420 2.935 2.689 3.144 . 0 0 "[ . 1 . 2]" 1
636 1 48 GLY HA3 1 57 PHE QD . . 4.720 2.546 1.997 4.211 . 0 0 "[ . 1 . 2]" 1
637 1 48 GLY HA3 1 57 PHE QE . . 3.880 2.590 1.998 3.716 . 0 0 "[ . 1 . 2]" 1
638 1 49 GLN H 1 49 GLN HB2 . . 3.840 3.079 2.749 3.377 . 0 0 "[ . 1 . 2]" 1
639 1 49 GLN H 1 49 GLN HB3 . . 3.840 2.703 2.408 3.037 . 0 0 "[ . 1 . 2]" 1
640 1 49 GLN HA 1 49 GLN HG2 . . 4.190 3.041 2.527 3.701 . 0 0 "[ . 1 . 2]" 1
641 1 49 GLN HA 1 49 GLN QG . . 3.680 2.454 2.227 2.670 . 0 0 "[ . 1 . 2]" 1
642 1 49 GLN HA 1 49 GLN HG3 . . 4.190 2.699 2.287 3.690 . 0 0 "[ . 1 . 2]" 1
643 1 49 GLN HA 1 50 ILE H . . 3.030 2.145 2.139 2.177 . 0 0 "[ . 1 . 2]" 1
644 1 49 GLN HA 1 54 GLU QG . . 3.930 2.787 2.320 3.231 . 0 0 "[ . 1 . 2]" 1
645 1 49 GLN QG 1 50 ILE H . . 3.650 2.949 2.437 3.169 . 0 0 "[ . 1 . 2]" 1
646 1 49 GLN HG2 1 50 ILE H . . 4.170 3.349 2.453 4.178 0.008 11 0 "[ . 1 . 2]" 1
647 1 49 GLN HG3 1 50 ILE H . . 4.170 3.562 2.485 4.171 0.001 16 0 "[ . 1 . 2]" 1
648 1 50 ILE H 1 50 ILE HB . . 3.940 2.556 2.428 2.726 . 0 0 "[ . 1 . 2]" 1
649 1 50 ILE H 1 50 ILE QG . . 4.360 2.709 2.421 3.138 . 0 0 "[ . 1 . 2]" 1
650 1 50 ILE H 1 50 ILE MG . . 3.850 3.798 3.721 3.885 0.035 14 0 "[ . 1 . 2]" 1
651 1 50 ILE H 1 53 GLU H . . 4.580 4.273 3.545 4.591 0.011 12 0 "[ . 1 . 2]" 1
652 1 50 ILE H 1 53 GLU QB . . 4.000 3.973 3.900 4.013 0.013 18 0 "[ . 1 . 2]" 1
653 1 50 ILE H 1 54 GLU HA . . 4.420 2.821 2.387 3.501 . 0 0 "[ . 1 . 2]" 1
654 1 50 ILE H 1 54 GLU HB3 . . 5.040 4.589 4.239 5.045 0.005 20 0 "[ . 1 . 2]" 1
655 1 50 ILE H 1 54 GLU QG . . 3.970 2.646 2.249 3.131 . 0 0 "[ . 1 . 2]" 1
656 1 50 ILE HA 1 50 ILE MD . . 4.300 3.803 3.727 3.906 . 0 0 "[ . 1 . 2]" 1
657 1 50 ILE HA 1 50 ILE HG12 . . 3.860 2.497 2.342 2.694 . 0 0 "[ . 1 . 2]" 1
658 1 50 ILE HA 1 50 ILE HG13 . . 3.860 3.009 2.785 3.258 . 0 0 "[ . 1 . 2]" 1
659 1 50 ILE HA 1 50 ILE MG . . 3.230 2.378 2.191 2.531 . 0 0 "[ . 1 . 2]" 1
660 1 50 ILE HA 1 51 ASP H . . 3.270 2.314 2.310 2.317 . 0 0 "[ . 1 . 2]" 1
661 1 50 ILE HA 1 52 ASP H . . 4.770 4.726 4.512 4.785 0.015 20 0 "[ . 1 . 2]" 1
662 1 50 ILE HB 1 50 ILE MD . . 3.290 2.390 2.290 2.496 . 0 0 "[ . 1 . 2]" 1
663 1 50 ILE HB 1 53 GLU QB . . 4.230 1.969 1.936 2.043 . 0 0 "[ . 1 . 2]" 1
664 1 50 ILE MG 1 51 ASP H . . 3.930 1.925 1.845 1.987 . 0 0 "[ . 1 . 2]" 1
665 1 50 ILE MG 1 51 ASP HA . . 4.950 3.887 3.778 4.049 . 0 0 "[ . 1 . 2]" 1
666 1 50 ILE MG 1 51 ASP HB2 . . 4.580 2.840 2.662 3.133 . 0 0 "[ . 1 . 2]" 1
667 1 50 ILE MG 1 51 ASP HB3 . . 4.580 3.798 3.012 4.294 . 0 0 "[ . 1 . 2]" 1
668 1 51 ASP QB 1 52 ASP H . . 2.890 2.152 2.060 2.375 . 0 0 "[ . 1 . 2]" 1
669 1 51 ASP QB 1 53 GLU H . . 4.010 4.022 4.010 4.032 0.022 19 0 "[ . 1 . 2]" 1
670 1 51 ASP HB2 1 52 ASP H . . 3.320 2.555 2.131 3.332 0.012 11 0 "[ . 1 . 2]" 1
671 1 51 ASP HB3 1 52 ASP H . . 3.320 2.876 2.080 3.317 . 0 0 "[ . 1 . 2]" 1
672 1 52 ASP H 1 52 ASP HB2 . . 3.800 2.802 2.430 3.733 . 0 0 "[ . 1 . 2]" 1
673 1 52 ASP H 1 52 ASP QB . . 3.310 2.545 2.397 2.777 . 0 0 "[ . 1 . 2]" 1
674 1 52 ASP H 1 52 ASP HB3 . . 3.800 3.343 2.519 3.749 . 0 0 "[ . 1 . 2]" 1
675 1 52 ASP H 1 53 GLU H . . 3.220 2.154 1.949 2.280 . 0 0 "[ . 1 . 2]" 1
676 1 52 ASP HB2 1 53 GLU H . . 4.660 3.404 2.533 4.579 . 0 0 "[ . 1 . 2]" 1
677 1 52 ASP HB3 1 53 GLU H . . 4.660 3.672 2.543 4.358 . 0 0 "[ . 1 . 2]" 1
678 1 53 GLU H 1 53 GLU QB . . 3.160 2.346 2.156 2.513 . 0 0 "[ . 1 . 2]" 1
679 1 53 GLU H 1 53 GLU QG . . 3.630 2.984 2.300 3.609 . 0 0 "[ . 1 . 2]" 1
680 1 53 GLU HA 1 53 GLU HG2 . . 3.960 2.681 2.294 3.626 . 0 0 "[ . 1 . 2]" 1
681 1 53 GLU HA 1 53 GLU QG . . 3.350 2.410 2.234 2.721 . 0 0 "[ . 1 . 2]" 1
682 1 53 GLU HA 1 53 GLU HG3 . . 3.960 3.064 2.274 3.758 . 0 0 "[ . 1 . 2]" 1
683 1 53 GLU HA 1 54 GLU H . . 2.840 2.291 2.216 2.358 . 0 0 "[ . 1 . 2]" 1
684 1 53 GLU HA 1 54 GLU QG . . 4.810 3.809 3.455 4.500 . 0 0 "[ . 1 . 2]" 1
685 1 53 GLU QB 1 54 GLU H . . 3.640 2.721 2.495 2.925 . 0 0 "[ . 1 . 2]" 1
686 1 54 GLU H 1 54 GLU HB2 . . 3.860 2.920 2.774 2.997 . 0 0 "[ . 1 . 2]" 1
687 1 54 GLU H 1 54 GLU QG . . 3.790 3.376 3.136 3.802 0.012 15 0 "[ . 1 . 2]" 1
688 1 54 GLU HA 1 54 GLU QG . . 3.660 2.408 2.259 2.492 . 0 0 "[ . 1 . 2]" 1
689 1 54 GLU HB2 1 55 GLY H . . 4.830 3.977 3.324 4.341 . 0 0 "[ . 1 . 2]" 1
690 1 54 GLU HB3 1 55 GLY H . . 4.480 2.900 2.122 3.381 . 0 0 "[ . 1 . 2]" 1
691 1 57 PHE HA 1 58 PRO HD2 . . 4.000 2.326 2.250 2.384 . 0 0 "[ . 1 . 2]" 1
692 1 57 PHE HA 1 58 PRO QD . . 3.500 2.048 2.008 2.081 . 0 0 "[ . 1 . 2]" 1
693 1 57 PHE HA 1 58 PRO HD3 . . 4.000 2.275 2.257 2.293 . 0 0 "[ . 1 . 2]" 1
694 1 57 PHE QB 1 58 PRO QD . . 3.530 2.094 1.969 2.257 . 0 0 "[ . 1 . 2]" 1
695 1 57 PHE QD 1 58 PRO HD2 . . 5.500 3.285 2.871 3.651 . 0 0 "[ . 1 . 2]" 1
696 1 57 PHE QD 1 58 PRO QD . . 4.770 3.214 2.828 3.556 . 0 0 "[ . 1 . 2]" 1
697 1 57 PHE QD 1 58 PRO HD3 . . 5.500 4.570 4.253 4.901 . 0 0 "[ . 1 . 2]" 1
698 1 57 PHE QD 1 58 PRO QG . . 5.500 3.806 3.302 4.232 . 0 0 "[ . 1 . 2]" 1
699 1 57 PHE QD 1 59 ALA HA . . 4.550 3.814 3.205 4.349 . 0 0 "[ . 1 . 2]" 1
700 1 57 PHE QD 1 61 PHE QB . . 5.180 4.469 3.121 5.167 . 0 0 "[ . 1 . 2]" 1
701 1 57 PHE QD 1 62 VAL MG1 . . 4.060 2.426 1.850 3.222 . 0 0 "[ . 1 . 2]" 1
702 1 57 PHE QD 1 62 VAL MG2 . . 4.060 3.116 2.214 3.769 . 0 0 "[ . 1 . 2]" 1
703 1 57 PHE QE 1 59 ALA HA . . 4.010 3.039 2.206 3.614 . 0 0 "[ . 1 . 2]" 1
704 1 57 PHE QE 1 62 VAL MG1 . . 3.590 2.570 1.972 3.236 . 0 0 "[ . 1 . 2]" 1
705 1 57 PHE QE 1 62 VAL MG2 . . 3.290 1.957 1.776 2.168 . 0 0 "[ . 1 . 2]" 1
706 1 57 PHE HZ 1 59 ALA HA . . 5.500 4.700 4.163 5.246 . 0 0 "[ . 1 . 2]" 1
707 1 57 PHE HZ 1 62 VAL MG2 . . 4.130 3.564 2.495 4.127 . 0 0 "[ . 1 . 2]" 1
708 1 58 PRO HA 1 59 ALA H . . 3.470 2.168 2.151 2.219 . 0 0 "[ . 1 . 2]" 1
709 1 58 PRO HA 1 59 ALA MB . . 4.700 3.963 3.902 4.034 . 0 0 "[ . 1 . 2]" 1
710 1 58 PRO QB 1 60 SER H . . 4.420 2.795 2.438 3.691 . 0 0 "[ . 1 . 2]" 1
711 1 58 PRO QB 1 61 PHE H . . 4.220 2.701 2.012 3.585 . 0 0 "[ . 1 . 2]" 1
712 1 58 PRO QB 1 61 PHE QD . . 4.280 3.034 1.996 3.862 . 0 0 "[ . 1 . 2]" 1
713 1 58 PRO QG 1 61 PHE QD . . 4.880 3.270 2.324 3.723 . 0 0 "[ . 1 . 2]" 1
714 1 59 ALA H 1 59 ALA MB . . 3.120 2.180 2.057 2.291 . 0 0 "[ . 1 . 2]" 1
715 1 59 ALA H 1 60 SER H . . 3.840 2.460 2.325 2.671 . 0 0 "[ . 1 . 2]" 1
716 1 59 ALA HA 1 61 PHE H . . 4.700 3.770 3.316 4.370 . 0 0 "[ . 1 . 2]" 1
717 1 59 ALA HA 1 62 VAL H . . 4.800 3.857 3.050 4.671 . 0 0 "[ . 1 . 2]" 1
718 1 59 ALA HA 1 62 VAL MG1 . . 4.890 3.677 3.201 4.010 . 0 0 "[ . 1 . 2]" 1
719 1 59 ALA HA 1 62 VAL MG2 . . 3.560 2.133 1.898 2.681 . 0 0 "[ . 1 . 2]" 1
720 1 59 ALA MB 1 60 SER H . . 3.690 3.025 2.355 3.299 . 0 0 "[ . 1 . 2]" 1
721 1 59 ALA MB 1 60 SER HA . . 4.700 3.914 3.716 4.040 . 0 0 "[ . 1 . 2]" 1
722 1 59 ALA MB 1 62 VAL MG2 . . 4.400 3.249 3.037 3.651 . 0 0 "[ . 1 . 2]" 1
723 1 60 SER H 1 60 SER HB2 . . 4.190 2.753 2.215 3.661 . 0 0 "[ . 1 . 2]" 1
724 1 60 SER H 1 60 SER QB . . 3.480 2.321 2.192 2.619 . 0 0 "[ . 1 . 2]" 1
725 1 60 SER H 1 60 SER HB3 . . 4.190 2.705 2.338 3.633 . 0 0 "[ . 1 . 2]" 1
726 1 60 SER HA 1 62 VAL H . . 4.580 3.751 3.533 4.234 . 0 0 "[ . 1 . 2]" 1
727 1 60 SER QB 1 61 PHE H . . 3.800 3.227 2.666 3.743 . 0 0 "[ . 1 . 2]" 1
728 1 60 SER HB2 1 61 PHE H . . 4.570 4.070 3.102 4.421 . 0 0 "[ . 1 . 2]" 1
729 1 60 SER HB3 1 61 PHE H . . 4.570 3.480 2.714 4.284 . 0 0 "[ . 1 . 2]" 1
730 1 61 PHE H 1 61 PHE QB . . 3.250 2.299 2.180 2.499 . 0 0 "[ . 1 . 2]" 1
731 1 61 PHE H 1 61 PHE QD . . 3.670 2.819 2.225 3.246 . 0 0 "[ . 1 . 2]" 1
732 1 61 PHE H 1 62 VAL H . . 3.180 2.478 1.895 3.109 . 0 0 "[ . 1 . 2]" 1
733 1 61 PHE H 1 62 VAL MG1 . . 4.770 3.561 3.075 4.235 . 0 0 "[ . 1 . 2]" 1
734 1 61 PHE H 1 62 VAL MG2 . . 4.700 3.516 3.038 4.070 . 0 0 "[ . 1 . 2]" 1
735 1 61 PHE HB2 1 62 VAL H . . 4.510 3.781 2.994 4.368 . 0 0 "[ . 1 . 2]" 1
736 1 61 PHE HB2 1 62 VAL MG1 . . 4.230 3.358 2.990 3.711 . 0 0 "[ . 1 . 2]" 1
737 1 61 PHE HB3 1 62 VAL H . . 4.510 4.100 3.629 4.390 . 0 0 "[ . 1 . 2]" 1
738 1 61 PHE HB3 1 62 VAL MG1 . . 4.230 3.319 2.904 3.627 . 0 0 "[ . 1 . 2]" 1
739 1 62 VAL H 1 62 VAL MG1 . . 3.700 2.911 2.675 3.184 . 0 0 "[ . 1 . 2]" 1
740 1 62 VAL H 1 62 VAL MG2 . . 3.140 2.296 2.013 2.631 . 0 0 "[ . 1 . 2]" 1
741 1 62 VAL H 1 63 ARG H . . 4.690 4.402 4.270 4.505 . 0 0 "[ . 1 . 2]" 1
742 1 62 VAL HA 1 62 VAL MG1 . . 3.330 2.371 2.211 2.513 . 0 0 "[ . 1 . 2]" 1
743 1 62 VAL HA 1 63 ARG H . . 3.080 2.264 2.194 2.345 . 0 0 "[ . 1 . 2]" 1
744 1 62 VAL HA 1 63 ARG QG . . 5.500 3.929 3.470 4.324 . 0 0 "[ . 1 . 2]" 1
745 1 62 VAL HB 1 63 ARG H . . 3.170 2.773 2.527 3.016 . 0 0 "[ . 1 . 2]" 1
746 1 62 VAL MG1 1 63 ARG H . . 3.990 3.861 3.717 3.992 0.002 11 0 "[ . 1 . 2]" 1
747 1 62 VAL MG2 1 63 ARG H . . 3.840 3.618 3.397 3.785 . 0 0 "[ . 1 . 2]" 1
748 1 62 VAL MG2 1 63 ARG HA . . 4.340 3.916 3.651 4.108 . 0 0 "[ . 1 . 2]" 1
749 1 63 ARG H 1 63 ARG QB . . 3.550 2.508 2.236 2.935 . 0 0 "[ . 1 . 2]" 1
750 1 63 ARG H 1 63 ARG QG . . 3.730 2.789 1.906 3.314 . 0 0 "[ . 1 . 2]" 1
751 1 63 ARG HA 1 63 ARG QG . . 3.620 2.795 2.150 3.343 . 0 0 "[ . 1 . 2]" 1
752 1 63 ARG HA 1 64 LEU H . . 2.940 2.165 2.140 2.270 . 0 0 "[ . 1 . 2]" 1
753 1 63 ARG QB 1 63 ARG HD2 . . 3.570 2.658 2.200 3.290 . 0 0 "[ . 1 . 2]" 1
754 1 63 ARG QB 1 63 ARG HD3 . . 3.570 2.981 2.109 3.466 . 0 0 "[ . 1 . 2]" 1
755 1 63 ARG QB 1 64 LEU H . . 3.630 3.210 2.719 3.502 . 0 0 "[ . 1 . 2]" 1
756 1 64 LEU H 1 64 LEU HB2 . . 3.630 2.334 2.217 2.599 . 0 0 "[ . 1 . 2]" 1
757 1 64 LEU H 1 64 LEU QB . . 3.000 2.303 2.195 2.542 . 0 0 "[ . 1 . 2]" 1
758 1 64 LEU H 1 64 LEU HB3 . . 3.630 3.554 3.517 3.602 . 0 0 "[ . 1 . 2]" 1
759 1 64 LEU H 1 64 LEU MD1 . . 4.270 3.427 1.935 4.049 . 0 0 "[ . 1 . 2]" 1
760 1 64 LEU H 1 64 LEU QD . . 3.720 2.846 1.862 3.518 . 0 0 "[ . 1 . 2]" 1
761 1 64 LEU H 1 64 LEU MD2 . . 4.270 3.429 1.868 4.245 . 0 0 "[ . 1 . 2]" 1
762 1 64 LEU H 1 64 LEU HG . . 3.810 2.919 2.091 3.780 . 0 0 "[ . 1 . 2]" 1
763 1 64 LEU H 1 65 TRP H . . 4.780 4.621 4.505 4.647 . 0 0 "[ . 1 . 2]" 1
764 1 64 LEU HA 1 64 LEU MD1 . . 4.060 3.466 2.213 3.956 . 0 0 "[ . 1 . 2]" 1
765 1 64 LEU HA 1 64 LEU QD . . 2.990 2.240 1.918 2.964 . 0 0 "[ . 1 . 2]" 1
766 1 64 LEU HA 1 64 LEU MD2 . . 4.060 2.387 2.012 3.737 . 0 0 "[ . 1 . 2]" 1
767 1 64 LEU HA 1 64 LEU HG . . 4.090 2.970 2.280 3.743 . 0 0 "[ . 1 . 2]" 1
768 1 64 LEU HA 1 65 TRP H . . 2.840 2.311 2.162 2.491 . 0 0 "[ . 1 . 2]" 1
769 1 64 LEU QB 1 64 LEU QD . . 2.640 1.907 1.761 2.036 . 0 0 "[ . 1 . 2]" 1
770 1 64 LEU QB 1 65 TRP H . . 3.610 2.643 2.200 3.167 . 0 0 "[ . 1 . 2]" 1
771 1 64 LEU QB 1 66 VAL QG . . 4.230 2.930 2.015 4.216 . 0 0 "[ . 1 . 2]" 1
772 1 64 LEU HB2 1 64 LEU MD1 . . 3.630 2.412 2.060 3.180 . 0 0 "[ . 1 . 2]" 1
773 1 64 LEU HB2 1 64 LEU MD2 . . 3.630 2.975 2.344 3.190 . 0 0 "[ . 1 . 2]" 1
774 1 64 LEU HB2 1 65 TRP H . . 4.410 3.919 3.512 4.319 . 0 0 "[ . 1 . 2]" 1
775 1 64 LEU HB3 1 64 LEU MD1 . . 3.630 2.473 2.139 3.183 . 0 0 "[ . 1 . 2]" 1
776 1 64 LEU HB3 1 64 LEU MD2 . . 3.630 2.408 1.976 3.195 . 0 0 "[ . 1 . 2]" 1
777 1 64 LEU HB3 1 65 TRP H . . 4.410 2.689 2.220 3.257 . 0 0 "[ . 1 . 2]" 1
778 1 64 LEU QD 1 65 TRP H . . 3.690 3.079 2.689 3.691 0.001 20 0 "[ . 1 . 2]" 1
779 1 64 LEU MD1 1 65 TRP H . . 4.960 4.332 2.817 4.923 . 0 0 "[ . 1 . 2]" 1
780 1 64 LEU MD2 1 65 TRP H . . 4.960 3.402 2.706 4.450 . 0 0 "[ . 1 . 2]" 1
781 1 64 LEU HG 1 65 TRP H . . 4.980 4.640 3.729 4.978 . 0 0 "[ . 1 . 2]" 1
782 1 65 TRP H 1 65 TRP HB2 . . 3.730 2.267 2.182 2.555 . 0 0 "[ . 1 . 2]" 1
783 1 65 TRP H 1 65 TRP QB . . 3.160 2.241 2.161 2.504 . 0 0 "[ . 1 . 2]" 1
784 1 65 TRP H 1 65 TRP HB3 . . 3.730 3.532 3.486 3.605 . 0 0 "[ . 1 . 2]" 1
785 1 65 TRP H 1 66 VAL H . . 4.230 2.907 2.362 4.089 . 0 0 "[ . 1 . 2]" 1
786 1 65 TRP H 1 66 VAL QG . . 4.840 3.698 3.279 4.183 . 0 0 "[ . 1 . 2]" 1
787 1 65 TRP QB 1 66 VAL H . . 3.810 3.142 2.240 3.855 0.045 13 0 "[ . 1 . 2]" 1
788 1 65 TRP HB2 1 66 VAL H . . 4.610 3.443 2.286 4.583 . 0 0 "[ . 1 . 2]" 1
789 1 65 TRP HB3 1 66 VAL H . . 4.610 3.763 2.944 4.429 . 0 0 "[ . 1 . 2]" 1
790 1 66 VAL H 1 66 VAL HB . . 3.690 2.898 2.493 3.656 . 0 0 "[ . 1 . 2]" 1
791 1 66 VAL H 1 66 VAL MG1 . . 4.400 3.045 2.092 3.894 . 0 0 "[ . 1 . 2]" 1
792 1 66 VAL H 1 66 VAL QG . . 3.350 2.341 1.837 2.916 . 0 0 "[ . 1 . 2]" 1
793 1 66 VAL H 1 66 VAL MG2 . . 4.400 2.968 1.926 3.993 . 0 0 "[ . 1 . 2]" 1
794 1 66 VAL H 1 67 ASN H . . 4.630 4.325 3.223 4.617 . 0 0 "[ . 1 . 2]" 1
795 1 66 VAL HA 1 66 VAL MG1 . . 3.530 2.671 2.267 3.203 . 0 0 "[ . 1 . 2]" 1
796 1 66 VAL HA 1 66 VAL QG . . 2.980 2.180 2.068 2.390 . 0 0 "[ . 1 . 2]" 1
797 1 66 VAL HA 1 66 VAL MG2 . . 3.530 2.448 2.148 3.202 . 0 0 "[ . 1 . 2]" 1
798 1 66 VAL HA 1 67 ASN H . . 3.240 2.248 2.149 2.767 . 0 0 "[ . 1 . 2]" 1
799 1 66 VAL HB 1 67 ASN H . . 4.640 4.016 2.315 4.463 . 0 0 "[ . 1 . 2]" 1
800 1 66 VAL QG 1 67 ASN H . . 4.410 2.580 1.880 3.479 . 0 0 "[ . 1 . 2]" 1
801 1 66 VAL MG1 1 67 ASN H . . 5.220 3.255 1.887 4.343 . 0 0 "[ . 1 . 2]" 1
802 1 66 VAL MG2 1 67 ASN H . . 5.220 3.325 1.888 4.274 . 0 0 "[ . 1 . 2]" 1
803 1 67 ASN H 1 67 ASN QB . . 3.620 2.453 2.157 3.081 . 0 0 "[ . 1 . 2]" 1
804 1 67 ASN HA 1 68 GLN H . . 3.110 2.248 2.140 2.782 . 0 0 "[ . 1 . 2]" 1
805 1 68 GLN H 1 68 GLN QB . . 3.510 2.565 2.186 2.947 . 0 0 "[ . 1 . 2]" 1
806 1 68 GLN H 1 68 GLN QG . . 4.840 3.600 1.890 4.423 . 0 0 "[ . 1 . 2]" 1
807 1 68 GLN HA 1 68 GLN QG . . 3.750 2.599 2.171 3.424 . 0 0 "[ . 1 . 2]" 1
808 1 68 GLN HA 1 69 GLU H . . 3.240 2.357 2.141 2.846 . 0 0 "[ . 1 . 2]" 1
809 1 68 GLN QG 1 69 GLU H . . 5.150 3.297 1.934 4.508 . 0 0 "[ . 1 . 2]" 1
810 1 69 GLU H 1 69 GLU HB2 . . 3.990 3.081 2.308 3.902 . 0 0 "[ . 1 . 2]" 1
811 1 69 GLU H 1 69 GLU QB . . 3.260 2.607 2.206 3.259 . 0 0 "[ . 1 . 2]" 1
812 1 69 GLU H 1 69 GLU HB3 . . 3.990 2.950 2.398 3.990 . 0 0 "[ . 1 . 2]" 1
813 1 69 GLU H 1 69 GLU QG . . 4.140 3.447 1.926 4.136 . 0 0 "[ . 1 . 2]" 1
814 1 69 GLU HA 1 69 GLU QG . . 3.910 2.728 2.176 3.441 . 0 0 "[ . 1 . 2]" 1
815 1 69 GLU HA 1 70 ASP H . . 3.160 2.340 2.138 2.795 . 0 0 "[ . 1 . 2]" 1
816 1 69 GLU QB 1 70 ASP H . . 4.380 3.517 2.437 3.975 . 0 0 "[ . 1 . 2]" 1
817 1 69 GLU QG 1 70 ASP H . . 5.150 3.450 1.847 4.763 . 0 0 "[ . 1 . 2]" 1
818 1 70 ASP H 1 70 ASP HB2 . . 4.080 3.034 2.246 3.962 . 0 0 "[ . 1 . 2]" 1
819 1 70 ASP H 1 70 ASP QB . . 3.410 2.496 2.173 3.182 . 0 0 "[ . 1 . 2]" 1
820 1 70 ASP H 1 70 ASP HB3 . . 4.080 2.793 2.241 3.510 . 0 0 "[ . 1 . 2]" 1
821 1 70 ASP HA 1 71 GLU H . . 3.130 2.445 2.140 2.781 . 0 0 "[ . 1 . 2]" 1
822 1 70 ASP QB 1 71 GLU H . . 4.210 3.215 2.104 4.041 . 0 0 "[ . 1 . 2]" 1
823 1 71 GLU H 1 71 GLU QB . . 3.400 2.455 2.160 3.341 . 0 0 "[ . 1 . 2]" 1
824 1 71 GLU H 1 71 GLU QG . . 4.480 3.447 2.104 4.407 . 0 0 "[ . 1 . 2]" 1
825 1 71 GLU HA 1 71 GLU QG . . 3.660 2.562 2.273 3.339 . 0 0 "[ . 1 . 2]" 1
826 1 71 GLU HA 1 72 VAL H . . 2.800 2.310 2.143 2.767 . 0 0 "[ . 1 . 2]" 1
827 1 71 GLU HA 1 72 VAL QG . . 5.020 3.606 3.351 4.114 . 0 0 "[ . 1 . 2]" 1
828 1 72 VAL H 1 72 VAL HB . . 3.640 3.219 2.495 3.654 0.014 20 0 "[ . 1 . 2]" 1
829 1 72 VAL H 1 72 VAL MG1 . . 4.020 2.691 1.916 3.931 . 0 0 "[ . 1 . 2]" 1
830 1 72 VAL H 1 72 VAL QG . . 3.500 2.210 1.836 3.058 . 0 0 "[ . 1 . 2]" 1
831 1 72 VAL H 1 72 VAL MG2 . . 4.020 2.724 1.876 4.021 0.001 8 0 "[ . 1 . 2]" 1
832 1 72 VAL HA 1 73 GLU H . . 2.930 2.324 2.145 2.904 . 0 0 "[ . 1 . 2]" 1
833 1 72 VAL QG 1 73 GLU H . . 4.050 2.858 1.933 3.649 . 0 0 "[ . 1 . 2]" 1
834 1 72 VAL QG 1 73 GLU HA . . 5.270 3.819 3.267 4.670 . 0 0 "[ . 1 . 2]" 1
835 1 72 VAL MG1 1 73 GLU H . . 4.830 3.454 2.220 4.318 . 0 0 "[ . 1 . 2]" 1
836 1 72 VAL MG2 1 73 GLU H . . 4.830 3.449 1.943 4.180 . 0 0 "[ . 1 . 2]" 1
837 1 73 GLU H 1 73 GLU HB2 . . 3.920 3.175 2.281 3.804 . 0 0 "[ . 1 . 2]" 1
838 1 73 GLU H 1 73 GLU QB . . 3.390 2.626 2.191 2.934 . 0 0 "[ . 1 . 2]" 1
839 1 73 GLU H 1 73 GLU HB3 . . 3.920 2.963 2.513 3.634 . 0 0 "[ . 1 . 2]" 1
840 1 73 GLU HA 1 74 GLU H . . 3.180 2.300 2.139 2.805 . 0 0 "[ . 1 . 2]" 1
841 1 74 GLU H 1 74 GLU QB . . 3.600 2.599 2.216 3.142 . 0 0 "[ . 1 . 2]" 1
842 1 77 GLY HA2 1 78 PRO QD . . 3.740 2.165 1.957 3.359 . 0 0 "[ . 1 . 2]" 1
843 1 77 GLY HA3 1 78 PRO QD . . 3.740 2.663 1.978 3.452 . 0 0 "[ . 1 . 2]" 1
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