Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
609718 | 2n87 RC | 19904 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n87
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 2255
_Distance_constraint_stats_list.Viol_count 1420
_Distance_constraint_stats_list.Viol_total 561.104
_Distance_constraint_stats_list.Viol_max 0.504
_Distance_constraint_stats_list.Viol_rms 0.0143
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0395
_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 1 PRO 0.000 0.000 . 0 "[ . 1]"
1 2 THR 0.004 0.004 4 0 "[ . 1]"
1 3 GLU 0.481 0.188 9 0 "[ . 1]"
1 4 ARG 2.284 0.173 8 0 "[ . 1]"
1 5 HIS 1.061 0.121 10 0 "[ . 1]"
1 6 PHE 4.524 0.166 9 0 "[ . 1]"
1 7 TYR 5.284 0.124 6 0 "[ . 1]"
1 8 HIS 2.209 0.110 9 0 "[ . 1]"
1 9 VAL 1.857 0.141 4 0 "[ . 1]"
1 10 LEU 0.886 0.067 7 0 "[ . 1]"
1 11 VAL 3.465 0.198 9 0 "[ . 1]"
1 12 LYS 1.635 0.128 7 0 "[ . 1]"
1 13 HIS 2.297 0.173 2 0 "[ . 1]"
1 14 LYS 0.096 0.053 7 0 "[ . 1]"
1 15 ASP 0.387 0.056 2 0 "[ . 1]"
1 16 VAL 0.849 0.100 5 0 "[ . 1]"
1 17 ARG 0.995 0.194 5 0 "[ . 1]"
1 18 ARG 0.044 0.014 5 0 "[ . 1]"
1 19 PRO 0.487 0.056 2 0 "[ . 1]"
1 20 SER 0.184 0.019 8 0 "[ . 1]"
1 21 SER 0.306 0.038 5 0 "[ . 1]"
1 22 LEU 0.512 0.095 4 0 "[ . 1]"
1 23 ALA 0.238 0.040 1 0 "[ . 1]"
1 24 PRO 0.242 0.165 1 0 "[ . 1]"
1 25 ARG 0.348 0.165 1 0 "[ . 1]"
1 26 ASN 0.887 0.504 5 1 "[ + 1]"
1 27 LYS 1.524 0.294 7 0 "[ . 1]"
1 28 GLY 0.066 0.025 1 0 "[ . 1]"
1 29 GLU 0.704 0.228 5 0 "[ . 1]"
1 30 LYS 0.211 0.058 8 0 "[ . 1]"
1 31 ILE 0.157 0.017 9 0 "[ . 1]"
1 32 THR 0.524 0.146 8 0 "[ . 1]"
1 33 ARG 0.308 0.146 8 0 "[ . 1]"
1 34 SER 0.230 0.039 9 0 "[ . 1]"
1 35 ARG 1.299 0.222 2 0 "[ . 1]"
1 36 ALA 0.215 0.067 1 0 "[ . 1]"
1 37 ASP 0.054 0.039 2 0 "[ . 1]"
1 38 ALA 1.232 0.133 2 0 "[ . 1]"
1 39 ILE 1.255 0.133 2 0 "[ . 1]"
1 40 ASN 0.901 0.075 5 0 "[ . 1]"
1 41 LEU 2.124 0.084 7 0 "[ . 1]"
1 42 ALA 1.789 0.088 5 0 "[ . 1]"
1 43 GLN 0.854 0.066 6 0 "[ . 1]"
1 44 ALA 0.144 0.030 6 0 "[ . 1]"
1 45 ILE 1.549 0.096 10 0 "[ . 1]"
1 46 LEU 1.485 0.111 8 0 "[ . 1]"
1 47 ALA 0.818 0.127 2 0 "[ . 1]"
1 48 GLN 1.565 0.115 6 0 "[ . 1]"
1 49 HIS 0.583 0.113 1 0 "[ . 1]"
1 50 LYS 1.271 0.125 6 0 "[ . 1]"
1 51 GLU 0.716 0.095 6 0 "[ . 1]"
1 52 ARG 1.033 0.113 1 0 "[ . 1]"
1 53 LYS 0.006 0.004 8 0 "[ . 1]"
1 54 THR 0.126 0.044 6 0 "[ . 1]"
1 55 TRP 2.724 0.188 1 0 "[ . 1]"
1 56 SER 0.000 0.000 . 0 "[ . 1]"
1 57 LEU 0.866 0.114 4 0 "[ . 1]"
1 58 ASP 0.615 0.069 4 0 "[ . 1]"
1 59 GLU 0.708 0.069 4 0 "[ . 1]"
1 60 PHE 5.176 0.251 7 0 "[ . 1]"
1 61 VAL 3.676 0.251 7 0 "[ . 1]"
1 62 GLN 0.235 0.114 4 0 "[ . 1]"
1 63 VAL 2.580 0.212 7 0 "[ . 1]"
1 64 VAL 1.050 0.110 9 0 "[ . 1]"
1 65 ARG 0.191 0.049 7 0 "[ . 1]"
1 66 ASP 0.000 0.000 . 0 "[ . 1]"
1 67 PHE 1.708 0.116 6 0 "[ . 1]"
1 68 SER 0.000 0.000 . 0 "[ . 1]"
1 69 GLU 0.898 0.088 2 0 "[ . 1]"
1 70 CYS 0.454 0.067 7 0 "[ . 1]"
1 71 GLY 0.050 0.023 6 0 "[ . 1]"
1 72 SER 0.000 0.000 . 0 "[ . 1]"
1 73 ALA 0.050 0.023 6 0 "[ . 1]"
1 74 LYS 0.000 0.000 . 0 "[ . 1]"
1 75 ARG 0.105 0.057 10 0 "[ . 1]"
1 76 ASP 0.001 0.001 4 0 "[ . 1]"
1 77 GLY 0.004 0.004 8 0 "[ . 1]"
1 78 ASP 0.524 0.059 7 0 "[ . 1]"
1 79 LEU 0.685 0.049 7 0 "[ . 1]"
1 80 GLY 0.319 0.057 10 0 "[ . 1]"
1 81 MET 0.417 0.188 9 0 "[ . 1]"
1 82 VAL 0.817 0.188 9 0 "[ . 1]"
1 83 GLU 0.614 0.188 9 0 "[ . 1]"
1 84 SER 0.625 0.173 8 0 "[ . 1]"
1 85 GLY 0.151 0.130 9 0 "[ . 1]"
1 86 THR 0.375 0.092 8 0 "[ . 1]"
1 87 TYR 0.600 0.092 8 0 "[ . 1]"
1 88 THR 0.024 0.021 9 0 "[ . 1]"
1 89 GLU 0.145 0.088 3 0 "[ . 1]"
1 90 GLY 0.297 0.069 9 0 "[ . 1]"
1 91 PHE 2.635 0.081 9 0 "[ . 1]"
1 92 ASP 0.353 0.088 3 0 "[ . 1]"
1 93 THR 0.139 0.061 9 0 "[ . 1]"
1 94 VAL 0.634 0.067 3 0 "[ . 1]"
1 95 ALA 1.033 0.186 10 0 "[ . 1]"
1 96 PHE 1.271 0.151 10 0 "[ . 1]"
1 97 SER 0.000 0.000 . 0 "[ . 1]"
1 98 LEU 0.445 0.186 10 0 "[ . 1]"
1 99 LYS 0.027 0.026 9 0 "[ . 1]"
1 100 SER 0.048 0.024 10 0 "[ . 1]"
1 101 GLY 0.436 0.079 8 0 "[ . 1]"
1 102 GLU 0.340 0.075 10 0 "[ . 1]"
1 103 VAL 3.532 0.188 1 0 "[ . 1]"
1 104 SER 0.485 0.070 9 0 "[ . 1]"
1 105 ALA 0.052 0.021 8 0 "[ . 1]"
1 107 VAL 0.835 0.111 10 0 "[ . 1]"
1 108 GLU 0.000 0.000 . 0 "[ . 1]"
1 109 THR 0.233 0.053 8 0 "[ . 1]"
1 110 GLU 0.000 0.000 . 0 "[ . 1]"
1 111 LEU 0.020 0.013 2 0 "[ . 1]"
1 112 GLY 0.020 0.013 2 0 "[ . 1]"
1 113 VAL 0.496 0.064 7 0 "[ . 1]"
1 114 HIS 2.868 0.198 9 0 "[ . 1]"
1 115 LEU 0.551 0.088 5 0 "[ . 1]"
1 116 ILE 4.495 0.132 10 0 "[ . 1]"
1 117 TYR 3.359 0.193 4 0 "[ . 1]"
1 118 ARG 0.172 0.097 10 0 "[ . 1]"
1 119 VAL 1.516 0.121 10 0 "[ . 1]"
1 120 GLU 0.132 0.077 7 0 "[ . 1]"
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 9 VAL H 1 9 VAL HB . . 3.830 2.591 2.478 2.657 . 0 0 "[ . 1]" 1
2 1 109 THR HB 1 112 GLY H . . 5.120 2.397 2.110 2.908 . 0 0 "[ . 1]" 1
3 1 11 VAL H 1 11 VAL HB . . 4.040 3.427 2.917 3.886 . 0 0 "[ . 1]" 1
4 1 9 VAL H 1 9 VAL MG2 . . 4.250 2.988 2.793 3.137 . 0 0 "[ . 1]" 1
5 1 9 VAL H 1 9 VAL MG1 . . 4.250 3.791 3.674 3.855 . 0 0 "[ . 1]" 1
6 1 11 VAL H 1 11 VAL MG2 . . 4.570 2.359 2.260 2.472 . 0 0 "[ . 1]" 1
7 1 11 VAL H 1 11 VAL MG1 . . 4.570 3.359 2.754 3.955 . 0 0 "[ . 1]" 1
8 1 8 HIS HA 1 116 ILE HA . . 3.610 2.251 2.172 2.368 . 0 0 "[ . 1]" 1
9 1 15 ASP H 1 15 ASP HB3 . . 3.570 3.258 3.053 3.432 . 0 0 "[ . 1]" 1
10 1 15 ASP H 1 15 ASP HB2 . . 3.500 2.276 2.241 2.364 . 0 0 "[ . 1]" 1
11 1 16 VAL H 1 16 VAL HB . . 3.780 3.712 3.685 3.770 . 0 0 "[ . 1]" 1
12 1 16 VAL H 1 16 VAL MG2 . . 3.120 2.003 1.936 2.111 . 0 0 "[ . 1]" 1
13 1 16 VAL H 1 16 VAL MG1 . . 3.020 2.531 2.500 2.570 . 0 0 "[ . 1]" 1
14 1 17 ARG HB3 1 18 ARG H . . 3.190 3.156 2.909 3.204 0.014 5 0 "[ . 1]" 1
15 1 22 LEU H 1 22 LEU HG . . 3.520 3.214 2.844 3.415 . 0 0 "[ . 1]" 1
16 1 17 ARG H 1 17 ARG HD2 . . 4.090 3.768 3.295 4.116 0.026 5 0 "[ . 1]" 1
17 1 17 ARG H 1 17 ARG HD3 . . 4.090 3.341 2.919 3.829 . 0 0 "[ . 1]" 1
18 1 5 HIS H 1 5 HIS HB2 . . 3.610 3.217 3.122 3.371 . 0 0 "[ . 1]" 1
19 1 20 SER H 1 20 SER HB2 . . 4.150 3.884 3.591 4.000 . 0 0 "[ . 1]" 1
20 1 20 SER H 1 20 SER HB3 . . 4.150 3.288 2.793 3.588 . 0 0 "[ . 1]" 1
21 1 104 SER HB3 1 116 ILE H . . 4.330 3.971 2.964 4.323 . 0 0 "[ . 1]" 1
22 1 21 SER H 1 21 SER HB3 . . 3.900 2.671 2.261 3.684 . 0 0 "[ . 1]" 1
23 1 21 SER H 1 21 SER HB2 . . 3.900 3.166 2.480 3.653 . 0 0 "[ . 1]" 1
24 1 23 ALA H 1 23 ALA MB . . 3.040 2.259 2.212 2.289 . 0 0 "[ . 1]" 1
25 1 26 ASN H 1 26 ASN HB2 . . 4.140 2.763 2.538 3.805 . 0 0 "[ . 1]" 1
26 1 26 ASN H 1 26 ASN HB3 . . 4.140 3.139 2.991 3.202 . 0 0 "[ . 1]" 1
27 1 27 LYS H 1 27 LYS HB2 . . 3.280 2.601 2.098 3.574 0.294 7 0 "[ . 1]" 1
28 1 94 VAL H 1 94 VAL HB . . 3.490 2.589 2.544 2.618 . 0 0 "[ . 1]" 1
29 1 27 LYS H 1 27 LYS HB3 . . 3.280 2.913 2.451 3.155 . 0 0 "[ . 1]" 1
30 1 27 LYS H 1 27 LYS HG2 . . 4.740 3.687 1.947 4.633 . 0 0 "[ . 1]" 1
31 1 27 LYS H 1 27 LYS HG3 . . 4.740 3.664 2.581 4.427 . 0 0 "[ . 1]" 1
32 1 27 LYS HA 1 28 GLY H . . 3.210 2.158 2.149 2.165 . 0 0 "[ . 1]" 1
33 1 29 GLU H 1 29 GLU HB2 . . 3.250 2.334 2.209 2.410 . 0 0 "[ . 1]" 1
34 1 29 GLU H 1 29 GLU HB3 . . 3.010 2.914 2.752 2.986 . 0 0 "[ . 1]" 1
35 1 29 GLU H 1 29 GLU HG2 . . 5.500 4.662 4.572 4.730 . 0 0 "[ . 1]" 1
36 1 29 GLU H 1 29 GLU HG3 . . 5.500 4.513 4.368 4.626 . 0 0 "[ . 1]" 1
37 1 5 HIS H 1 5 HIS HB3 . . 3.730 2.637 2.552 2.797 . 0 0 "[ . 1]" 1
38 1 30 LYS H 1 30 LYS HG3 . . 3.860 2.426 2.016 3.487 . 0 0 "[ . 1]" 1
39 1 30 LYS H 1 30 LYS HG2 . . 3.860 2.889 1.944 3.863 0.003 10 0 "[ . 1]" 1
40 1 115 LEU HB2 1 116 ILE H . . 3.660 3.180 3.054 3.320 . 0 0 "[ . 1]" 1
41 1 30 LYS HA 1 31 ILE H . . 2.970 2.283 2.209 2.317 . 0 0 "[ . 1]" 1
42 1 31 ILE H 1 31 ILE HB . . 3.460 2.590 2.506 2.739 . 0 0 "[ . 1]" 1
43 1 31 ILE H 1 31 ILE MD . . 3.610 3.446 3.295 3.597 . 0 0 "[ . 1]" 1
44 1 31 ILE H 1 31 ILE MG . . 3.950 3.823 3.778 3.877 . 0 0 "[ . 1]" 1
45 1 32 THR H 1 32 THR HG1 . . 3.370 2.236 1.928 2.909 . 0 0 "[ . 1]" 1
46 1 34 SER H 1 34 SER HB3 . . 3.960 2.737 2.611 2.904 . 0 0 "[ . 1]" 1
47 1 33 ARG HA 1 34 SER H . . 3.250 2.365 2.250 2.553 . 0 0 "[ . 1]" 1
48 1 35 ARG H 1 35 ARG HD3 . . 4.390 3.519 2.077 4.456 0.066 10 0 "[ . 1]" 1
49 1 35 ARG H 1 35 ARG HD2 . . 4.390 3.179 1.937 4.437 0.047 4 0 "[ . 1]" 1
50 1 35 ARG H 1 35 ARG HB2 . . 3.770 3.569 3.563 3.586 . 0 0 "[ . 1]" 1
51 1 35 ARG H 1 35 ARG HB3 . . 3.250 2.529 2.334 2.743 . 0 0 "[ . 1]" 1
52 1 37 ASP H 1 37 ASP HB2 . . 3.700 2.243 2.120 2.333 . 0 0 "[ . 1]" 1
53 1 38 ALA H 1 38 ALA MB . . 2.850 2.191 2.061 2.254 . 0 0 "[ . 1]" 1
54 1 39 ILE H 1 39 ILE HB . . 3.250 2.525 2.486 2.579 . 0 0 "[ . 1]" 1
55 1 41 LEU HB3 1 42 ALA H . . 3.490 2.520 2.303 2.627 . 0 0 "[ . 1]" 1
56 1 39 ILE H 1 39 ILE MD . . 3.120 2.321 2.181 2.476 . 0 0 "[ . 1]" 1
57 1 41 LEU HB2 1 42 ALA H . . 3.620 2.800 2.716 3.008 . 0 0 "[ . 1]" 1
58 1 40 ASN H 1 40 ASN HA . . 2.920 2.776 2.759 2.793 . 0 0 "[ . 1]" 1
59 1 40 ASN H 1 40 ASN HB2 . . 3.110 2.288 2.121 2.363 . 0 0 "[ . 1]" 1
60 1 40 ASN H 1 40 ASN HB3 . . 3.130 2.810 2.716 3.059 . 0 0 "[ . 1]" 1
61 1 40 ASN H 1 40 ASN HD21 . . 4.200 4.084 3.604 4.214 0.014 8 0 "[ . 1]" 1
62 1 41 LEU H 1 41 LEU HB2 . . 3.070 2.067 2.052 2.092 . 0 0 "[ . 1]" 1
63 1 41 LEU H 1 41 LEU HB3 . . 3.300 3.294 3.144 3.345 0.045 6 0 "[ . 1]" 1
64 1 41 LEU H 1 41 LEU HG . . 4.710 4.418 4.349 4.454 . 0 0 "[ . 1]" 1
65 1 43 GLN H 1 43 GLN HB3 . . 3.750 3.594 3.589 3.598 . 0 0 "[ . 1]" 1
66 1 43 GLN H 1 43 GLN HB2 . . 3.100 2.472 2.416 2.532 . 0 0 "[ . 1]" 1
67 1 43 GLN H 1 43 GLN HG3 . . 3.730 3.452 3.376 3.553 . 0 0 "[ . 1]" 1
68 1 43 GLN H 1 43 GLN HG2 . . 3.420 2.270 2.102 2.412 . 0 0 "[ . 1]" 1
69 1 43 GLN H 1 43 GLN HE21 . . 4.690 3.640 3.408 3.789 . 0 0 "[ . 1]" 1
70 1 45 ILE H 1 45 ILE HG13 . . 3.420 2.255 2.204 2.302 . 0 0 "[ . 1]" 1
71 1 11 VAL MG1 1 42 ALA H . . 3.960 3.072 2.906 3.209 . 0 0 "[ . 1]" 1
72 1 45 ILE H 1 45 ILE MD . . 3.250 3.141 2.980 3.249 . 0 0 "[ . 1]" 1
73 1 46 LEU H 1 46 LEU HB2 . . 3.170 2.172 2.077 2.322 . 0 0 "[ . 1]" 1
74 1 46 LEU H 1 46 LEU HB3 . . 3.570 3.474 3.386 3.556 . 0 0 "[ . 1]" 1
75 1 48 GLN HE22 1 63 VAL MG1 . . 3.360 1.938 1.908 2.027 . 0 0 "[ . 1]" 1
76 1 44 ALA H 1 44 ALA MB . . 2.530 2.195 2.133 2.216 . 0 0 "[ . 1]" 1
77 1 47 ALA H 1 47 ALA MB . . 2.780 2.290 2.210 2.349 . 0 0 "[ . 1]" 1
78 1 48 GLN H 1 48 GLN HB2 . . 3.660 2.115 2.071 2.329 . 0 0 "[ . 1]" 1
79 1 48 GLN H 1 48 GLN HB3 . . 3.660 3.160 3.063 3.560 . 0 0 "[ . 1]" 1
80 1 48 GLN H 1 49 HIS H . . 3.190 2.689 2.602 2.720 . 0 0 "[ . 1]" 1
81 1 50 LYS H 1 50 LYS HA . . 2.910 2.782 2.753 2.809 . 0 0 "[ . 1]" 1
82 1 50 LYS H 1 50 LYS HG2 . . 3.250 2.936 2.554 3.375 0.125 6 0 "[ . 1]" 1
83 1 51 GLU H 1 51 GLU HG2 . . 4.020 3.616 2.841 4.027 0.007 3 0 "[ . 1]" 1
84 1 52 ARG H 1 52 ARG HB2 . . 4.060 3.428 2.786 4.036 . 0 0 "[ . 1]" 1
85 1 52 ARG H 1 52 ARG HB3 . . 4.060 3.708 3.603 3.847 . 0 0 "[ . 1]" 1
86 1 52 ARG H 1 52 ARG HG2 . . 4.890 3.534 2.543 4.988 0.098 3 0 "[ . 1]" 1
87 1 52 ARG H 1 52 ARG HG3 . . 4.890 4.017 3.910 4.284 . 0 0 "[ . 1]" 1
88 1 53 LYS H 1 53 LYS HB3 . . 4.010 3.627 3.515 3.751 . 0 0 "[ . 1]" 1
89 1 53 LYS H 1 53 LYS HB2 . . 4.010 2.583 2.218 3.575 . 0 0 "[ . 1]" 1
90 1 8 HIS H 1 60 PHE QE . . 5.500 3.387 3.234 3.619 . 0 0 "[ . 1]" 1
91 1 56 SER H 1 56 SER HB3 . . 4.200 2.320 2.292 2.346 . 0 0 "[ . 1]" 1
92 1 57 LEU H 1 57 LEU HB2 . . 3.420 2.658 2.612 2.751 . 0 0 "[ . 1]" 1
93 1 111 LEU H 1 111 LEU HB3 . . 3.780 2.756 2.608 2.858 . 0 0 "[ . 1]" 1
94 1 57 LEU H 1 57 LEU MD2 . . 4.180 4.085 4.065 4.104 . 0 0 "[ . 1]" 1
95 1 57 LEU H 1 57 LEU MD1 . . 4.130 3.993 3.910 4.034 . 0 0 "[ . 1]" 1
96 1 58 ASP H 1 58 ASP HB2 . . 3.150 2.397 2.293 2.468 . 0 0 "[ . 1]" 1
97 1 58 ASP H 1 58 ASP HB3 . . 3.220 2.676 2.596 2.804 . 0 0 "[ . 1]" 1
98 1 56 SER HB3 1 59 GLU H . . 3.720 3.166 3.115 3.219 . 0 0 "[ . 1]" 1
99 1 58 ASP HB3 1 59 GLU H . . 3.840 3.025 2.993 3.111 . 0 0 "[ . 1]" 1
100 1 59 GLU H 1 59 GLU HB3 . . 3.970 2.528 2.491 2.587 . 0 0 "[ . 1]" 1
101 1 59 GLU H 1 59 GLU HG3 . . 5.240 4.443 4.419 4.474 . 0 0 "[ . 1]" 1
102 1 60 PHE H 1 60 PHE HB2 . . 3.290 2.589 2.535 2.620 . 0 0 "[ . 1]" 1
103 1 61 VAL H 1 61 VAL HB . . 3.230 2.772 2.723 2.799 . 0 0 "[ . 1]" 1
104 1 61 VAL H 1 61 VAL MG2 . . 3.940 2.349 1.983 3.757 . 0 0 "[ . 1]" 1
105 1 61 VAL H 1 61 VAL MG1 . . 3.940 3.403 2.066 3.740 . 0 0 "[ . 1]" 1
106 1 6 PHE QE 1 96 PHE QD . . 3.870 3.586 3.469 3.904 0.034 10 0 "[ . 1]" 1
107 1 60 PHE HA 1 63 VAL H . . 3.750 3.245 3.209 3.339 . 0 0 "[ . 1]" 1
108 1 63 VAL H 1 63 VAL MG1 . . 3.030 2.049 1.893 2.144 . 0 0 "[ . 1]" 1
109 1 63 VAL H 1 63 VAL MG2 . . 3.370 2.547 2.471 2.602 . 0 0 "[ . 1]" 1
110 1 64 VAL H 1 64 VAL HB . . 3.300 2.438 2.349 2.468 . 0 0 "[ . 1]" 1
111 1 10 LEU H 1 68 SER HA . . 3.300 2.375 2.085 2.724 . 0 0 "[ . 1]" 1
112 1 10 LEU H 1 10 LEU HB2 . . 3.250 2.352 2.303 2.397 . 0 0 "[ . 1]" 1
113 1 66 ASP H 1 66 ASP HB3 . . 3.660 2.717 2.582 3.144 . 0 0 "[ . 1]" 1
114 1 66 ASP H 1 66 ASP HB2 . . 3.330 2.702 2.376 2.821 . 0 0 "[ . 1]" 1
115 1 67 PHE H 1 67 PHE QD . . 3.390 2.664 2.612 2.803 . 0 0 "[ . 1]" 1
116 1 67 PHE H 1 67 PHE QE . . 5.160 4.980 4.933 5.097 . 0 0 "[ . 1]" 1
117 1 7 TYR QD 1 60 PHE H . . 5.500 5.598 5.545 5.624 0.124 6 0 "[ . 1]" 1
118 1 69 GLU H 1 69 GLU HG2 . . 5.500 4.232 3.097 4.926 . 0 0 "[ . 1]" 1
119 1 69 GLU H 1 69 GLU HG3 . . 5.500 4.118 2.120 4.605 . 0 0 "[ . 1]" 1
120 1 60 PHE H 1 60 PHE HB3 . . 3.060 2.560 2.529 2.579 . 0 0 "[ . 1]" 1
121 1 74 LYS H 1 74 LYS HB3 . . 3.380 2.864 2.795 2.957 . 0 0 "[ . 1]" 1
122 1 74 LYS H 1 74 LYS HB2 . . 3.200 2.361 2.294 2.412 . 0 0 "[ . 1]" 1
123 1 74 LYS HB2 1 75 ARG H . . 4.040 3.279 3.171 3.390 . 0 0 "[ . 1]" 1
124 1 5 HIS HB2 1 6 PHE H . . 4.670 4.367 4.308 4.434 . 0 0 "[ . 1]" 1
125 1 6 PHE H 1 6 PHE HB2 . . 3.830 3.718 3.682 3.737 . 0 0 "[ . 1]" 1
126 1 70 CYS H 1 70 CYS HB2 . . 3.390 2.393 2.284 2.557 . 0 0 "[ . 1]" 1
127 1 76 ASP H 1 76 ASP HA . . 2.700 2.276 2.275 2.279 . 0 0 "[ . 1]" 1
128 1 79 LEU H 1 79 LEU HG . . 3.740 2.054 1.943 2.296 . 0 0 "[ . 1]" 1
129 1 79 LEU H 1 79 LEU MD1 . . 4.090 3.578 3.486 3.653 . 0 0 "[ . 1]" 1
130 1 79 LEU H 1 79 LEU MD2 . . 4.110 3.048 2.757 3.352 . 0 0 "[ . 1]" 1
131 1 81 MET H 1 81 MET HG3 . . 3.670 2.534 1.979 3.574 . 0 0 "[ . 1]" 1
132 1 81 MET H 1 81 MET HG2 . . 3.670 2.368 1.943 2.749 . 0 0 "[ . 1]" 1
133 1 82 VAL H 1 82 VAL MG2 . . 3.740 2.014 1.920 2.125 . 0 0 "[ . 1]" 1
134 1 82 VAL H 1 82 VAL HB . . 3.820 3.732 3.685 3.821 0.001 10 0 "[ . 1]" 1
135 1 84 SER H 1 84 SER HB3 . . 3.620 2.677 2.193 3.592 . 0 0 "[ . 1]" 1
136 1 84 SER H 1 84 SER HB2 . . 3.620 2.645 2.358 2.948 . 0 0 "[ . 1]" 1
137 1 86 THR H 1 86 THR HG1 . . 3.790 2.723 2.628 2.861 . 0 0 "[ . 1]" 1
138 1 84 SER HA 1 86 THR H . . 3.900 3.483 3.444 3.544 . 0 0 "[ . 1]" 1
139 1 87 TYR H 1 87 TYR HB2 . . 4.040 2.179 2.124 2.271 . 0 0 "[ . 1]" 1
140 1 87 TYR H 1 87 TYR QD . . 3.890 3.356 3.265 3.455 . 0 0 "[ . 1]" 1
141 1 89 GLU H 1 89 GLU HB2 . . 3.460 2.368 2.208 2.566 . 0 0 "[ . 1]" 1
142 1 89 GLU H 1 89 GLU HB3 . . 3.460 2.705 2.499 2.897 . 0 0 "[ . 1]" 1
143 1 91 PHE H 1 91 PHE HB3 . . 3.400 2.625 2.585 2.658 . 0 0 "[ . 1]" 1
144 1 91 PHE H 1 91 PHE HB2 . . 3.440 2.607 2.576 2.645 . 0 0 "[ . 1]" 1
145 1 91 PHE QD 1 114 HIS HE1 . . 3.640 2.907 2.718 3.192 . 0 0 "[ . 1]" 1
146 1 92 ASP H 1 92 ASP HB3 . . 3.730 2.706 2.149 3.533 . 0 0 "[ . 1]" 1
147 1 94 VAL H 1 94 VAL MG1 . . 3.990 3.796 3.790 3.799 . 0 0 "[ . 1]" 1
148 1 94 VAL H 1 94 VAL MG2 . . 3.990 2.143 2.077 2.352 . 0 0 "[ . 1]" 1
149 1 95 ALA H 1 95 ALA MB . . 3.120 2.105 2.066 2.165 . 0 0 "[ . 1]" 1
150 1 13 HIS HB2 1 35 ARG H . . 4.060 3.124 3.000 3.380 . 0 0 "[ . 1]" 1
151 1 96 PHE H 1 96 PHE HB3 . . 3.800 3.574 3.564 3.588 . 0 0 "[ . 1]" 1
152 1 96 PHE H 1 96 PHE HB2 . . 3.540 2.329 2.301 2.364 . 0 0 "[ . 1]" 1
153 1 43 GLN HA 1 46 LEU H . . 4.130 3.496 3.384 3.598 . 0 0 "[ . 1]" 1
154 1 98 LEU H 1 98 LEU HG . . 4.040 3.546 3.306 3.697 . 0 0 "[ . 1]" 1
155 1 60 PHE QE 1 103 VAL MG1 . . 4.610 3.953 3.755 4.046 . 0 0 "[ . 1]" 1
156 1 98 LEU H 1 98 LEU MD1 . . 4.970 4.059 3.743 4.200 . 0 0 "[ . 1]" 1
157 1 98 LEU H 1 98 LEU MD2 . . 4.970 4.172 4.121 4.242 . 0 0 "[ . 1]" 1
158 1 99 LYS H 1 99 LYS HG2 . . 4.470 3.730 1.964 4.441 . 0 0 "[ . 1]" 1
159 1 103 VAL H 1 103 VAL HB . . 3.730 2.447 2.398 2.500 . 0 0 "[ . 1]" 1
160 1 103 VAL H 1 103 VAL MG1 . . 3.840 3.760 3.731 3.782 . 0 0 "[ . 1]" 1
161 1 103 VAL H 1 103 VAL MG2 . . 3.840 2.638 2.574 2.752 . 0 0 "[ . 1]" 1
162 1 107 VAL HA 1 108 GLU H . . 2.690 2.164 2.141 2.186 . 0 0 "[ . 1]" 1
163 1 107 VAL H 1 107 VAL MG2 . . 3.200 2.315 2.176 2.447 . 0 0 "[ . 1]" 1
164 1 107 VAL MG1 1 108 GLU H . . 2.950 2.596 2.430 2.860 . 0 0 "[ . 1]" 1
165 1 108 GLU H 1 108 GLU HG2 . . 3.820 3.222 3.040 3.558 . 0 0 "[ . 1]" 1
166 1 108 GLU H 1 108 GLU HG3 . . 3.820 2.780 2.611 2.941 . 0 0 "[ . 1]" 1
167 1 109 THR H 1 109 THR HG1 . . 4.000 2.135 1.967 2.321 . 0 0 "[ . 1]" 1
168 1 109 THR H 1 113 VAL HA . . 4.760 2.664 2.526 2.891 . 0 0 "[ . 1]" 1
169 1 109 THR HB 1 111 LEU H . . 3.990 2.486 2.143 2.791 . 0 0 "[ . 1]" 1
170 1 113 VAL H 1 113 VAL HB . . 3.740 3.680 3.664 3.705 . 0 0 "[ . 1]" 1
171 1 113 VAL H 1 113 VAL MG1 . . 4.030 2.749 2.546 2.882 . 0 0 "[ . 1]" 1
172 1 116 ILE H 1 116 ILE HB . . 3.700 2.973 2.941 3.049 . 0 0 "[ . 1]" 1
173 1 116 ILE H 1 116 ILE HG13 . . 4.410 2.419 2.282 2.453 . 0 0 "[ . 1]" 1
174 1 116 ILE H 1 116 ILE MG . . 3.960 3.942 3.929 3.949 . 0 0 "[ . 1]" 1
175 1 116 ILE H 1 116 ILE MD . . 3.910 3.966 3.891 3.988 0.078 4 0 "[ . 1]" 1
176 1 119 VAL H 1 119 VAL HB . . 3.060 2.602 2.467 3.087 0.027 7 0 "[ . 1]" 1
177 1 119 VAL HA 1 120 GLU H . . 3.220 2.183 2.144 2.282 . 0 0 "[ . 1]" 1
178 1 120 GLU H 1 120 GLU HG2 . . 3.840 2.770 1.951 3.551 . 0 0 "[ . 1]" 1
179 1 120 GLU H 1 120 GLU HG3 . . 3.840 2.825 2.109 3.730 . 0 0 "[ . 1]" 1
180 1 60 PHE HB3 1 61 VAL H . . 4.600 2.469 2.127 2.767 . 0 0 "[ . 1]" 1
181 1 12 LYS H 1 12 LYS HD2 . . 4.030 3.099 2.081 4.106 0.076 5 0 "[ . 1]" 1
182 1 12 LYS H 1 12 LYS HD3 . . 4.030 3.023 2.295 4.074 0.044 2 0 "[ . 1]" 1
183 1 12 LYS H 1 38 ALA MB . . 4.200 3.896 3.566 4.193 . 0 0 "[ . 1]" 1
184 1 99 LYS H 1 99 LYS HB3 . . 4.100 3.220 2.377 3.660 . 0 0 "[ . 1]" 1
185 1 99 LYS H 1 99 LYS HG3 . . 4.470 3.901 2.795 4.471 0.001 7 0 "[ . 1]" 1
186 1 17 ARG H 1 17 ARG HB2 . . 2.930 2.126 2.100 2.178 . 0 0 "[ . 1]" 1
187 1 3 GLU HB2 1 4 ARG H . . 3.470 2.564 2.321 2.811 . 0 0 "[ . 1]" 1
188 1 25 ARG H 1 25 ARG HB3 . . 3.860 3.682 3.607 3.707 . 0 0 "[ . 1]" 1
189 1 25 ARG H 1 25 ARG HB2 . . 3.140 2.574 2.365 2.711 . 0 0 "[ . 1]" 1
190 1 25 ARG H 1 25 ARG HD2 . . 4.640 3.801 3.099 4.702 0.062 1 0 "[ . 1]" 1
191 1 25 ARG H 1 25 ARG HD3 . . 4.640 3.909 2.180 4.637 . 0 0 "[ . 1]" 1
192 1 33 ARG H 1 33 ARG HB2 . . 3.840 2.563 2.318 3.649 . 0 0 "[ . 1]" 1
193 1 33 ARG H 1 33 ARG HB3 . . 3.840 3.432 2.891 3.703 . 0 0 "[ . 1]" 1
194 1 31 ILE HB 1 33 ARG H . . 3.650 3.398 3.038 3.604 . 0 0 "[ . 1]" 1
195 1 117 TYR H 1 117 TYR QD . . 5.050 4.252 4.222 4.275 . 0 0 "[ . 1]" 1
196 1 93 THR H 1 93 THR HB . . 3.270 2.711 2.549 3.130 . 0 0 "[ . 1]" 1
197 1 59 GLU H 1 59 GLU HB2 . . 3.750 2.553 2.516 2.582 . 0 0 "[ . 1]" 1
198 1 117 TYR H 1 117 TYR HB2 . . 3.980 3.250 3.204 3.285 . 0 0 "[ . 1]" 1
199 1 117 TYR H 1 117 TYR HB3 . . 4.010 2.773 2.724 2.806 . 0 0 "[ . 1]" 1
200 1 4 ARG H 1 4 ARG HB2 . . 4.060 2.561 2.396 2.810 . 0 0 "[ . 1]" 1
201 1 3 GLU H 1 3 GLU HB3 . . 3.650 3.211 3.034 3.351 . 0 0 "[ . 1]" 1
202 1 32 THR HG1 1 33 ARG H . . 4.280 4.216 4.078 4.426 0.146 8 0 "[ . 1]" 1
203 1 118 ARG H 1 118 ARG HG2 . . 5.300 4.483 3.964 4.665 . 0 0 "[ . 1]" 1
204 1 118 ARG H 1 118 ARG HG3 . . 5.300 4.366 4.040 4.527 . 0 0 "[ . 1]" 1
205 1 39 ILE H 1 40 ASN H . . 3.270 2.630 2.512 2.782 . 0 0 "[ . 1]" 1
206 1 44 ALA H 1 45 ILE H . . 3.470 2.715 2.680 2.792 . 0 0 "[ . 1]" 1
207 1 46 LEU H 1 47 ALA H . . 3.160 2.703 2.659 2.720 . 0 0 "[ . 1]" 1
208 1 20 SER HA 1 31 ILE H . . 3.530 2.960 2.234 3.253 . 0 0 "[ . 1]" 1
209 1 45 ILE HA 1 47 ALA H . . 4.110 3.995 3.789 4.110 . 0 0 "[ . 1]" 1
210 1 19 PRO HB2 1 31 ILE H . . 4.360 3.493 3.115 3.661 . 0 0 "[ . 1]" 1
211 1 1 PRO HB3 1 2 THR H . . 4.320 3.897 3.221 4.060 . 0 0 "[ . 1]" 1
212 1 43 GLN HG2 1 44 ALA H . . 4.510 4.311 4.236 4.379 . 0 0 "[ . 1]" 1
213 1 43 GLN HB2 1 44 ALA H . . 3.390 2.572 2.499 2.685 . 0 0 "[ . 1]" 1
214 1 46 LEU HB2 1 47 ALA H . . 3.360 3.134 2.988 3.297 . 0 0 "[ . 1]" 1
215 1 30 LYS HB3 1 31 ILE H . . 3.530 2.806 2.706 3.026 . 0 0 "[ . 1]" 1
216 1 40 ASN H 1 41 LEU HB2 . . 5.340 4.516 4.479 4.573 . 0 0 "[ . 1]" 1
217 1 1 PRO HB2 1 2 THR H . . 3.280 2.950 2.107 3.196 . 0 0 "[ . 1]" 1
218 1 39 ILE HB 1 40 ASN H . . 3.470 2.439 2.396 2.483 . 0 0 "[ . 1]" 1
219 1 39 ILE MG 1 40 ASN H . . 3.510 3.335 3.235 3.403 . 0 0 "[ . 1]" 1
220 1 36 ALA H 1 39 ILE MD . . 4.620 4.239 4.138 4.416 . 0 0 "[ . 1]" 1
221 1 39 ILE MD 1 40 ASN H . . 4.820 3.628 3.517 3.687 . 0 0 "[ . 1]" 1
222 1 44 ALA H 1 45 ILE MD . . 4.600 4.573 4.430 4.614 0.014 7 0 "[ . 1]" 1
223 1 36 ALA H 1 37 ASP H . . 3.570 2.551 2.473 2.641 . 0 0 "[ . 1]" 1
224 1 47 ALA H 1 55 TRP HZ2 . . 5.370 4.462 4.385 4.524 . 0 0 "[ . 1]" 1
225 1 47 ALA H 1 49 HIS H . . 5.040 4.257 4.139 4.338 . 0 0 "[ . 1]" 1
226 1 31 ILE H 1 33 ARG H . . 5.080 4.840 4.704 5.023 . 0 0 "[ . 1]" 1
227 1 47 ALA H 1 55 TRP HH2 . . 5.500 5.581 5.494 5.627 0.127 2 0 "[ . 1]" 1
228 1 44 ALA H 1 67 PHE QE . . 4.470 4.100 3.899 4.326 . 0 0 "[ . 1]" 1
229 1 3 GLU H 1 83 GLU HA . . 5.500 4.665 4.361 4.898 . 0 0 "[ . 1]" 1
230 1 34 SER HA 1 36 ALA H . . 4.510 4.295 4.168 4.525 0.015 8 0 "[ . 1]" 1
231 1 42 ALA HA 1 44 ALA H . . 4.630 4.527 4.271 4.619 . 0 0 "[ . 1]" 1
232 1 13 HIS HB2 1 36 ALA H . . 5.500 5.158 5.026 5.347 . 0 0 "[ . 1]" 1
233 1 35 ARG HD3 1 36 ALA H . . 3.900 2.821 1.935 3.737 . 0 0 "[ . 1]" 1
234 1 35 ARG HD2 1 36 ALA H . . 3.900 3.266 1.929 3.890 . 0 0 "[ . 1]" 1
235 1 2 THR H 1 2 THR HG1 . . 3.490 2.403 2.113 2.652 . 0 0 "[ . 1]" 1
236 1 44 ALA H 1 45 ILE HG13 . . 4.560 4.347 4.199 4.530 . 0 0 "[ . 1]" 1
237 1 16 VAL MG1 1 17 ARG H . . 3.730 3.579 3.544 3.652 . 0 0 "[ . 1]" 1
238 1 92 ASP H 1 95 ALA MB . . 4.710 4.333 4.208 4.457 . 0 0 "[ . 1]" 1
239 1 16 VAL MG2 1 18 ARG H . . 3.250 2.005 1.929 2.276 . 0 0 "[ . 1]" 1
240 1 4 ARG H 1 82 VAL MG2 . . 4.180 2.792 2.636 3.032 . 0 0 "[ . 1]" 1
241 1 22 LEU H 1 23 ALA MB . . 4.540 4.330 4.257 4.439 . 0 0 "[ . 1]" 1
242 1 88 THR HG1 1 92 ASP H . . 4.800 4.474 4.201 4.803 0.003 3 0 "[ . 1]" 1
243 1 3 GLU HG2 1 4 ARG H . . 5.410 4.446 4.094 4.985 . 0 0 "[ . 1]" 1
244 1 3 GLU HG3 1 4 ARG H . . 5.410 4.368 3.930 4.802 . 0 0 "[ . 1]" 1
245 1 16 VAL HB 1 17 ARG H . . 3.080 1.975 1.940 2.143 . 0 0 "[ . 1]" 1
246 1 18 ARG H 1 19 PRO HD3 . . 3.630 3.017 2.905 3.149 . 0 0 "[ . 1]" 1
247 1 4 ARG H 1 82 VAL HA . . 5.000 4.780 4.508 5.000 . 0 0 "[ . 1]" 1
248 1 21 SER HA 1 22 LEU H . . 3.500 2.200 2.143 2.228 . 0 0 "[ . 1]" 1
249 1 92 ASP HA 1 96 PHE H . . 4.220 3.425 3.213 3.637 . 0 0 "[ . 1]" 1
250 1 86 THR H 1 87 TYR HA . . 5.240 4.941 4.904 4.998 . 0 0 "[ . 1]" 1
251 1 32 THR H 1 33 ARG HA . . 5.130 5.022 4.709 5.159 0.029 5 0 "[ . 1]" 1
252 1 5 HIS H 1 81 MET HA . . 5.500 5.406 5.235 5.537 0.037 9 0 "[ . 1]" 1
253 1 4 ARG H 1 83 GLU HA . . 4.020 3.798 3.318 4.013 . 0 0 "[ . 1]" 1
254 1 3 GLU HA 1 4 ARG H . . 3.090 2.352 2.258 2.449 . 0 0 "[ . 1]" 1
255 1 4 ARG H 1 6 PHE HZ . . 4.890 4.127 3.951 4.442 . 0 0 "[ . 1]" 1
256 1 16 VAL H 1 17 ARG H . . 4.630 4.446 4.403 4.497 . 0 0 "[ . 1]" 1
257 1 4 ARG H 1 6 PHE QE . . 4.820 4.447 4.307 4.730 . 0 0 "[ . 1]" 1
258 1 77 GLY H 1 78 ASP H . . 3.780 2.641 2.363 2.770 . 0 0 "[ . 1]" 1
259 1 4 ARG H 1 96 PHE QE . . 3.980 3.565 3.393 3.774 . 0 0 "[ . 1]" 1
260 1 3 GLU H 1 4 ARG H . . 4.680 4.484 4.437 4.550 . 0 0 "[ . 1]" 1
261 1 92 ASP H 1 93 THR H . . 3.820 2.632 2.557 2.665 . 0 0 "[ . 1]" 1
262 1 20 SER H 1 31 ILE H . . 5.240 4.850 4.183 5.244 0.004 8 0 "[ . 1]" 1
263 1 30 LYS H 1 31 ILE H . . 5.500 4.596 4.568 4.618 . 0 0 "[ . 1]" 1
264 1 29 GLU H 1 30 LYS H . . 4.700 4.571 4.504 4.615 . 0 0 "[ . 1]" 1
265 1 5 HIS H 1 6 PHE H . . 4.880 4.083 3.871 4.226 . 0 0 "[ . 1]" 1
266 1 93 THR H 1 96 PHE QD . . 4.910 4.799 4.663 4.855 . 0 0 "[ . 1]" 1
267 1 83 GLU H 1 96 PHE HZ . . 4.740 3.570 3.381 3.746 . 0 0 "[ . 1]" 1
268 1 91 PHE H 1 93 THR H . . 5.110 3.394 3.325 3.620 . 0 0 "[ . 1]" 1
269 1 105 ALA H 1 116 ILE H . . 5.500 5.481 5.436 5.521 0.021 8 0 "[ . 1]" 1
270 1 83 GLU H 1 96 PHE QE . . 4.930 4.379 4.222 4.696 . 0 0 "[ . 1]" 1
271 1 93 THR H 1 94 VAL H . . 3.630 2.583 2.443 2.841 . 0 0 "[ . 1]" 1
272 1 91 PHE QD 1 93 THR H . . 5.460 4.855 4.648 5.113 . 0 0 "[ . 1]" 1
273 1 8 HIS HA 1 116 ILE H . . 5.100 4.578 4.488 4.665 . 0 0 "[ . 1]" 1
274 1 103 VAL HA 1 116 ILE H . . 4.710 4.664 4.586 4.695 . 0 0 "[ . 1]" 1
275 1 4 ARG HA 1 5 HIS H . . 3.290 2.448 2.363 2.587 . 0 0 "[ . 1]" 1
276 1 115 LEU HA 1 116 ILE H . . 3.530 2.461 2.432 2.486 . 0 0 "[ . 1]" 1
277 1 29 GLU HA 1 30 LYS H . . 2.770 2.243 2.163 2.311 . 0 0 "[ . 1]" 1
278 1 91 PHE HA 1 93 THR H . . 4.960 4.130 3.936 4.743 . 0 0 "[ . 1]" 1
279 1 19 PRO HD2 1 20 SER H . . 4.940 4.933 4.886 4.959 0.019 8 0 "[ . 1]" 1
280 1 19 PRO HB2 1 20 SER H . . 4.310 4.243 4.232 4.261 . 0 0 "[ . 1]" 1
281 1 29 GLU HB3 1 30 LYS H . . 3.880 3.544 3.289 3.739 . 0 0 "[ . 1]" 1
282 1 20 SER H 1 31 ILE HB . . 5.500 5.024 4.723 5.449 . 0 0 "[ . 1]" 1
283 1 115 LEU HG 1 116 ILE H . . 5.050 4.768 4.358 4.992 . 0 0 "[ . 1]" 1
284 1 4 ARG HB2 1 5 HIS H . . 3.900 3.652 2.924 3.916 0.016 4 0 "[ . 1]" 1
285 1 16 VAL MG2 1 20 SER H . . 3.880 3.773 3.692 3.803 . 0 0 "[ . 1]" 1
286 1 4 ARG HB3 1 5 HIS H . . 4.040 2.414 2.118 2.564 . 0 0 "[ . 1]" 1
287 1 103 VAL MG1 1 116 ILE H . . 4.820 2.945 2.881 3.096 . 0 0 "[ . 1]" 1
288 1 30 LYS H 1 31 ILE MD . . 5.500 4.893 4.493 5.225 . 0 0 "[ . 1]" 1
289 1 103 VAL MG2 1 116 ILE H . . 4.820 4.877 4.845 4.927 0.107 10 0 "[ . 1]" 1
290 1 6 PHE H 1 82 VAL MG2 . . 4.440 4.182 4.030 4.302 . 0 0 "[ . 1]" 1
291 1 74 LYS HG2 1 75 ARG H . . 5.330 4.207 3.896 4.350 . 0 0 "[ . 1]" 1
292 1 74 LYS HG3 1 75 ARG H . . 5.330 4.278 4.031 4.791 . 0 0 "[ . 1]" 1
293 1 74 LYS HB3 1 75 ARG H . . 3.630 2.085 2.051 2.159 . 0 0 "[ . 1]" 1
294 1 5 HIS HB3 1 6 PHE H . . 4.630 4.423 4.359 4.454 . 0 0 "[ . 1]" 1
295 1 23 ALA H 1 27 LYS HA . . 4.240 2.689 2.485 2.844 . 0 0 "[ . 1]" 1
296 1 75 ARG H 1 76 ASP HA . . 4.610 4.166 4.126 4.497 . 0 0 "[ . 1]" 1
297 1 21 SER HA 1 23 ALA H . . 4.700 4.645 4.472 4.696 . 0 0 "[ . 1]" 1
298 1 22 LEU HA 1 23 ALA H . . 3.530 2.492 2.491 2.496 . 0 0 "[ . 1]" 1
299 1 92 ASP HA 1 96 PHE QD . . 2.870 2.313 2.129 2.408 . 0 0 "[ . 1]" 1
300 1 5 HIS HA 1 6 PHE H . . 3.310 2.154 2.140 2.171 . 0 0 "[ . 1]" 1
301 1 6 PHE QD 1 7 TYR H . . 4.210 3.996 3.889 4.203 . 0 0 "[ . 1]" 1
302 1 6 PHE HB2 1 7 TYR H . . 4.230 2.332 2.230 2.552 . 0 0 "[ . 1]" 1
303 1 6 PHE HB3 1 7 TYR H . . 4.330 3.295 3.268 3.326 . 0 0 "[ . 1]" 1
304 1 7 TYR H 1 117 TYR HB3 . . 4.580 3.067 2.983 3.215 . 0 0 "[ . 1]" 1
305 1 7 TYR H 1 116 ILE MG . . 4.730 3.720 3.649 3.806 . 0 0 "[ . 1]" 1
306 1 8 HIS H 1 79 LEU MD2 . . 4.510 3.602 3.354 3.745 . 0 0 "[ . 1]" 1
307 1 8 HIS H 1 79 LEU MD1 . . 4.450 3.896 3.828 4.012 . 0 0 "[ . 1]" 1
308 1 109 THR H 1 113 VAL MG1 . . 5.350 3.366 3.160 3.537 . 0 0 "[ . 1]" 1
309 1 107 VAL MG1 1 109 THR H . . 4.770 3.448 3.387 3.630 . 0 0 "[ . 1]" 1
310 1 109 THR H 1 113 VAL MG2 . . 5.350 5.152 5.015 5.346 . 0 0 "[ . 1]" 1
311 1 8 HIS H 1 79 LEU HG . . 4.400 3.159 3.104 3.202 . 0 0 "[ . 1]" 1
312 1 7 TYR HB3 1 8 HIS H . . 4.420 2.219 2.168 2.368 . 0 0 "[ . 1]" 1
313 1 7 TYR HB2 1 8 HIS H . . 4.880 3.378 3.309 3.491 . 0 0 "[ . 1]" 1
314 1 8 HIS H 1 78 ASP HA . . 5.240 3.247 3.110 3.489 . 0 0 "[ . 1]" 1
315 1 8 HIS H 1 116 ILE HA . . 5.010 4.709 4.648 4.794 . 0 0 "[ . 1]" 1
316 1 108 GLU HA 1 109 THR H . . 3.250 2.167 2.150 2.172 . 0 0 "[ . 1]" 1
317 1 56 SER H 1 117 TYR QE . . 4.760 4.329 4.262 4.378 . 0 0 "[ . 1]" 1
318 1 7 TYR QD 1 8 HIS H . . 4.420 3.919 3.840 4.066 . 0 0 "[ . 1]" 1
319 1 9 VAL H 1 115 LEU H . . 4.170 2.563 2.472 2.689 . 0 0 "[ . 1]" 1
320 1 9 VAL H 1 10 LEU H . . 4.420 4.177 4.073 4.227 . 0 0 "[ . 1]" 1
321 1 51 GLU H 1 52 ARG H . . 3.560 2.626 2.577 2.669 . 0 0 "[ . 1]" 1
322 1 50 LYS H 1 51 GLU H . . 4.670 4.624 4.604 4.647 . 0 0 "[ . 1]" 1
323 1 15 ASP H 1 16 VAL H . . 3.400 2.687 2.626 2.897 . 0 0 "[ . 1]" 1
324 1 9 VAL H 1 114 HIS HA . . 4.760 4.417 4.325 4.515 . 0 0 "[ . 1]" 1
325 1 15 ASP H 1 19 PRO HB3 . . 4.420 4.250 4.195 4.294 . 0 0 "[ . 1]" 1
326 1 9 VAL H 1 10 LEU HB2 . . 5.500 5.462 5.394 5.527 0.027 4 0 "[ . 1]" 1
327 1 9 VAL H 1 115 LEU HB2 . . 4.560 3.528 3.375 3.706 . 0 0 "[ . 1]" 1
328 1 50 LYS HG2 1 51 GLU H . . 3.850 3.890 3.875 3.945 0.095 6 0 "[ . 1]" 1
329 1 50 LYS HG3 1 51 GLU H . . 4.150 3.638 3.066 4.236 0.086 6 0 "[ . 1]" 1
330 1 21 SER H 1 31 ILE HG13 . . 4.460 4.077 3.673 4.349 . 0 0 "[ . 1]" 1
331 1 9 VAL H 1 79 LEU MD1 . . 5.500 5.508 5.457 5.547 0.047 9 0 "[ . 1]" 1
332 1 9 VAL H 1 79 LEU MD2 . . 5.500 5.423 5.302 5.500 0.000 1 0 "[ . 1]" 1
333 1 15 ASP H 1 16 VAL MG1 . . 3.960 3.175 3.086 3.240 . 0 0 "[ . 1]" 1
334 1 9 VAL H 1 116 ILE MG . . 5.180 5.130 4.981 5.257 0.077 7 0 "[ . 1]" 1
335 1 95 ALA H 1 116 ILE MD . . 4.020 2.605 2.546 2.675 . 0 0 "[ . 1]" 1
336 1 95 ALA MB 1 96 PHE QD . . 3.090 2.262 2.201 2.508 . 0 0 "[ . 1]" 1
337 1 45 ILE MG 1 55 TRP HZ2 . . 3.740 2.415 2.089 2.768 . 0 0 "[ . 1]" 1
338 1 57 LEU MD1 1 62 GLN H . . 5.500 5.449 5.165 5.614 0.114 4 0 "[ . 1]" 1
339 1 4 ARG HB3 1 96 PHE QD . . 5.500 5.059 4.869 5.292 . 0 0 "[ . 1]" 1
340 1 62 GLN H 1 63 VAL MG2 . . 5.080 4.328 4.180 4.423 . 0 0 "[ . 1]" 1
341 1 91 PHE H 1 107 VAL MG1 . . 3.950 3.949 3.908 3.998 0.048 10 0 "[ . 1]" 1
342 1 120 GLU H 1 120 GLU HB2 . . 3.980 3.003 2.311 3.630 . 0 0 "[ . 1]" 1
343 1 111 LEU HG 1 112 GLY H . . 3.110 2.013 1.938 2.145 . 0 0 "[ . 1]" 1
344 1 111 LEU HB2 1 112 GLY H . . 3.730 3.677 3.568 3.743 0.013 2 0 "[ . 1]" 1
345 1 6 PHE HB3 1 119 VAL H . . 3.380 2.649 2.517 2.879 . 0 0 "[ . 1]" 1
346 1 5 HIS HB2 1 5 HIS HD2 . . 3.350 2.892 2.799 3.206 . 0 0 "[ . 1]" 1
347 1 9 VAL HA 1 10 LEU H . . 3.410 2.147 2.140 2.155 . 0 0 "[ . 1]" 1
348 1 96 PHE HA 1 96 PHE QD . . 3.360 3.080 3.058 3.118 . 0 0 "[ . 1]" 1
349 1 46 LEU HA 1 55 TRP HZ2 . . 2.960 1.954 1.927 1.993 . 0 0 "[ . 1]" 1
350 1 6 PHE HZ 1 96 PHE QD . . 3.890 3.179 3.008 3.424 . 0 0 "[ . 1]" 1
351 1 5 HIS HD2 1 7 TYR QE . . 4.790 4.492 3.973 4.822 0.032 9 0 "[ . 1]" 1
352 1 62 GLN H 1 63 VAL H . . 3.390 2.530 2.419 2.605 . 0 0 "[ . 1]" 1
353 1 49 HIS H 1 50 LYS H . . 3.510 2.537 2.462 2.721 . 0 0 "[ . 1]" 1
354 1 6 PHE QD 1 119 VAL H . . 4.080 4.112 4.039 4.196 0.116 6 0 "[ . 1]" 1
355 1 49 HIS H 1 55 TRP HH2 . . 4.460 4.121 4.008 4.197 . 0 0 "[ . 1]" 1
356 1 49 HIS HD2 1 54 THR H . . 4.220 2.158 1.940 2.922 . 0 0 "[ . 1]" 1
357 1 6 PHE H 1 6 PHE QD . . 3.330 2.516 2.358 2.605 . 0 0 "[ . 1]" 1
358 1 110 GLU H 1 111 LEU H . . 4.420 2.710 2.657 2.771 . 0 0 "[ . 1]" 1
359 1 10 LEU HB2 1 11 VAL H . . 5.390 4.483 4.457 4.509 . 0 0 "[ . 1]" 1
360 1 10 LEU HG 1 11 VAL H . . 4.870 4.201 4.122 4.301 . 0 0 "[ . 1]" 1
361 1 10 LEU HB3 1 11 VAL H . . 4.960 3.978 3.902 4.053 . 0 0 "[ . 1]" 1
362 1 14 LYS H 1 16 VAL MG1 . . 4.510 4.397 4.355 4.426 . 0 0 "[ . 1]" 1
363 1 11 VAL MG1 1 12 LYS H . . 4.630 3.478 2.752 4.094 . 0 0 "[ . 1]" 1
364 1 57 LEU MD2 1 61 VAL H . . 4.190 3.122 2.852 3.446 . 0 0 "[ . 1]" 1
365 1 103 VAL MG1 1 104 SER H . . 4.000 2.077 2.053 2.105 . 0 0 "[ . 1]" 1
366 1 14 LYS H 1 16 VAL MG2 . . 5.350 4.767 4.744 4.794 . 0 0 "[ . 1]" 1
367 1 11 VAL MG2 1 12 LYS H . . 4.630 3.995 3.642 4.369 . 0 0 "[ . 1]" 1
368 1 104 SER H 1 115 LEU HB3 . . 4.570 4.351 3.881 4.477 . 0 0 "[ . 1]" 1
369 1 14 LYS H 1 19 PRO HB3 . . 4.610 4.402 4.341 4.512 . 0 0 "[ . 1]" 1
370 1 13 HIS HB3 1 14 LYS H . . 3.810 3.371 3.302 3.434 . 0 0 "[ . 1]" 1
371 1 14 LYS H 1 15 ASP HB2 . . 4.460 4.238 4.186 4.347 . 0 0 "[ . 1]" 1
372 1 14 LYS H 1 14 LYS HE3 . . 5.500 5.114 4.570 5.500 0.000 8 0 "[ . 1]" 1
373 1 14 LYS H 1 35 ARG HA . . 4.980 4.705 4.533 4.983 0.003 7 0 "[ . 1]" 1
374 1 11 VAL HA 1 12 LYS H . . 3.260 2.158 2.139 2.179 . 0 0 "[ . 1]" 1
375 1 13 HIS HA 1 14 LYS H . . 3.460 2.494 2.447 2.531 . 0 0 "[ . 1]" 1
376 1 81 MET HA 1 82 VAL H . . 3.290 2.197 2.175 2.237 . 0 0 "[ . 1]" 1
377 1 103 VAL HA 1 104 SER H . . 3.240 2.207 2.198 2.217 . 0 0 "[ . 1]" 1
378 1 104 SER H 1 117 TYR HA . . 3.820 3.563 3.499 3.667 . 0 0 "[ . 1]" 1
379 1 5 HIS HA 1 82 VAL H . . 4.390 4.297 4.221 4.400 0.010 10 0 "[ . 1]" 1
380 1 12 LYS H 1 13 HIS H . . 4.920 4.398 4.328 4.468 . 0 0 "[ . 1]" 1
381 1 13 HIS H 1 14 LYS H . . 5.270 4.403 4.374 4.447 . 0 0 "[ . 1]" 1
382 1 13 HIS HD2 1 14 LYS H . . 4.700 4.403 4.223 4.554 . 0 0 "[ . 1]" 1
383 1 14 LYS H 1 16 VAL H . . 4.680 4.532 4.490 4.668 . 0 0 "[ . 1]" 1
384 1 7 TYR QD 1 61 VAL H . . 4.900 3.911 3.289 4.297 . 0 0 "[ . 1]" 1
385 1 82 VAL H 1 96 PHE HZ . . 4.920 4.550 4.372 4.870 . 0 0 "[ . 1]" 1
386 1 6 PHE H 1 82 VAL H . . 5.500 5.325 5.133 5.436 . 0 0 "[ . 1]" 1
387 1 81 MET H 1 82 VAL H . . 4.750 4.271 4.180 4.322 . 0 0 "[ . 1]" 1
388 1 103 VAL H 1 104 SER H . . 5.200 4.531 4.487 4.550 . 0 0 "[ . 1]" 1
389 1 4 ARG H 1 82 VAL H . . 4.160 2.864 2.546 3.112 . 0 0 "[ . 1]" 1
390 1 14 LYS H 1 15 ASP H . . 4.570 2.543 2.528 2.580 . 0 0 "[ . 1]" 1
391 1 12 LYS HA 1 13 HIS H . . 3.490 2.622 2.462 2.737 . 0 0 "[ . 1]" 1
392 1 7 TYR HB3 1 8 HIS HA . . 4.610 4.308 4.264 4.387 . 0 0 "[ . 1]" 1
393 1 8 HIS HA 1 9 VAL HA . . 4.510 4.422 4.405 4.446 . 0 0 "[ . 1]" 1
394 1 13 HIS H 1 16 VAL HB . . 4.410 4.404 4.326 4.450 0.040 9 0 "[ . 1]" 1
395 1 8 HIS HA 1 115 LEU HB2 . . 4.690 4.415 4.322 4.665 . 0 0 "[ . 1]" 1
396 1 12 LYS HG2 1 13 HIS H . . 4.930 3.978 3.305 4.667 . 0 0 "[ . 1]" 1
397 1 12 LYS HG3 1 13 HIS H . . 4.930 4.068 3.250 4.444 . 0 0 "[ . 1]" 1
398 1 8 HIS HA 1 115 LEU HB3 . . 5.500 5.537 5.492 5.588 0.088 5 0 "[ . 1]" 1
399 1 8 HIS HA 1 116 ILE HB . . 5.340 5.234 5.160 5.352 0.012 7 0 "[ . 1]" 1
400 1 13 HIS H 1 16 VAL MG2 . . 3.340 2.803 2.581 3.031 . 0 0 "[ . 1]" 1
401 1 13 HIS H 1 16 VAL MG1 . . 3.210 1.925 1.853 2.011 . 0 0 "[ . 1]" 1
402 1 8 HIS HA 1 116 ILE MD . . 5.500 5.443 5.370 5.511 0.011 10 0 "[ . 1]" 1
403 1 60 PHE HB2 1 61 VAL H . . 4.040 3.763 3.594 3.925 . 0 0 "[ . 1]" 1
404 1 14 LYS H 1 19 PRO HB2 . . 5.460 5.000 4.871 5.087 . 0 0 "[ . 1]" 1
405 1 59 GLU HB3 1 61 VAL H . . 5.500 5.163 4.889 5.362 . 0 0 "[ . 1]" 1
406 1 5 HIS HB2 1 82 VAL H . . 5.500 5.512 5.335 5.559 0.059 4 0 "[ . 1]" 1
407 1 107 VAL H 1 114 HIS HD2 . . 4.340 3.738 3.647 3.848 . 0 0 "[ . 1]" 1
408 1 104 SER H 1 105 ALA H . . 4.680 4.578 4.562 4.606 . 0 0 "[ . 1]" 1
409 1 108 GLU H 1 113 VAL HA . . 4.990 4.786 4.577 4.891 . 0 0 "[ . 1]" 1
410 1 15 ASP H 1 35 ARG HA . . 5.020 4.413 4.230 4.702 . 0 0 "[ . 1]" 1
411 1 9 VAL H 1 114 HIS HB2 . . 4.430 3.405 3.268 3.473 . 0 0 "[ . 1]" 1
412 1 9 VAL H 1 114 HIS HB3 . . 5.500 4.940 4.830 5.057 . 0 0 "[ . 1]" 1
413 1 21 SER H 1 31 ILE HG12 . . 3.870 3.003 2.737 3.103 . 0 0 "[ . 1]" 1
414 1 60 PHE QE 1 103 VAL MG2 . . 4.610 3.674 3.352 3.819 . 0 0 "[ . 1]" 1
415 1 6 PHE QD 1 79 LEU HG . . 5.210 3.584 3.430 3.751 . 0 0 "[ . 1]" 1
416 1 9 VAL HB 1 60 PHE QE . . 3.980 4.069 4.008 4.121 0.141 4 0 "[ . 1]" 1
417 1 16 VAL H 1 19 PRO HG2 . . 5.300 5.143 5.052 5.236 . 0 0 "[ . 1]" 1
418 1 15 ASP HB3 1 16 VAL H . . 4.210 4.139 4.079 4.201 . 0 0 "[ . 1]" 1
419 1 6 PHE QD 1 95 ALA HA . . 4.910 4.239 4.061 4.822 . 0 0 "[ . 1]" 1
420 1 8 HIS HA 1 60 PHE QE . . 3.960 3.121 2.939 3.383 . 0 0 "[ . 1]" 1
421 1 6 PHE QD 1 7 TYR HA . . 4.500 4.139 4.003 4.419 . 0 0 "[ . 1]" 1
422 1 22 LEU H 1 31 ILE MD . . 5.500 5.458 5.315 5.517 0.017 9 0 "[ . 1]" 1
423 1 5 HIS H 1 6 PHE QD . . 5.270 4.123 3.858 4.279 . 0 0 "[ . 1]" 1
424 1 21 SER H 1 31 ILE MD . . 3.760 2.959 2.486 3.176 . 0 0 "[ . 1]" 1
425 1 21 SER H 1 31 ILE HB . . 5.500 5.395 5.177 5.503 0.003 8 0 "[ . 1]" 1
426 1 21 SER H 1 23 ALA MB . . 5.500 5.480 5.298 5.538 0.038 5 0 "[ . 1]" 1
427 1 21 SER H 1 22 LEU HG . . 5.500 5.423 5.296 5.510 0.010 1 0 "[ . 1]" 1
428 1 20 SER HB2 1 21 SER H . . 4.090 2.902 2.545 3.737 . 0 0 "[ . 1]" 1
429 1 20 SER HB3 1 21 SER H . . 4.090 3.938 3.666 4.092 0.002 1 0 "[ . 1]" 1
430 1 21 SER H 1 28 GLY HA2 . . 5.240 5.201 5.001 5.252 0.012 10 0 "[ . 1]" 1
431 1 21 SER H 1 29 GLU HA . . 5.500 5.331 5.012 5.501 0.001 8 0 "[ . 1]" 1
432 1 21 SER H 1 30 LYS HA . . 4.220 3.832 3.530 4.078 . 0 0 "[ . 1]" 1
433 1 21 SER H 1 22 LEU HA . . 5.270 5.010 4.903 5.132 . 0 0 "[ . 1]" 1
434 1 20 SER HA 1 21 SER H . . 3.450 2.300 2.239 2.371 . 0 0 "[ . 1]" 1
435 1 21 SER H 1 29 GLU H . . 4.310 4.022 3.684 4.175 . 0 0 "[ . 1]" 1
436 1 21 SER H 1 31 ILE H . . 4.970 4.531 4.016 4.806 . 0 0 "[ . 1]" 1
437 1 20 SER H 1 21 SER H . . 4.440 4.341 4.282 4.404 . 0 0 "[ . 1]" 1
438 1 104 SER H 1 116 ILE H . . 4.020 3.060 2.848 3.140 . 0 0 "[ . 1]" 1
439 1 34 SER H 1 35 ARG H . . 4.600 4.499 4.442 4.541 . 0 0 "[ . 1]" 1
440 1 22 LEU H 1 23 ALA H . . 3.750 3.559 3.502 3.665 . 0 0 "[ . 1]" 1
441 1 18 ARG H 1 19 PRO HA . . 4.640 4.398 4.318 4.502 . 0 0 "[ . 1]" 1
442 1 25 ARG H 1 26 ASN H . . 3.730 2.100 2.078 2.164 . 0 0 "[ . 1]" 1
443 1 25 ARG H 1 27 LYS H . . 4.650 4.075 3.933 4.209 . 0 0 "[ . 1]" 1
444 1 23 ALA HA 1 25 ARG H . . 4.340 4.209 4.027 4.380 0.040 1 0 "[ . 1]" 1
445 1 13 HIS HB3 1 39 ILE H . . 5.500 5.292 5.021 5.516 0.016 3 0 "[ . 1]" 1
446 1 39 ILE H 1 40 ASN HB3 . . 5.500 5.045 4.929 5.241 . 0 0 "[ . 1]" 1
447 1 42 ALA H 1 43 GLN HG3 . . 5.500 5.543 5.519 5.566 0.066 6 0 "[ . 1]" 1
448 1 42 ALA H 1 43 GLN HG2 . . 4.440 4.314 4.264 4.353 . 0 0 "[ . 1]" 1
449 1 45 ILE H 1 46 LEU HB2 . . 4.560 4.458 4.357 4.604 0.044 8 0 "[ . 1]" 1
450 1 38 ALA MB 1 39 ILE H . . 2.930 2.390 2.146 2.700 . 0 0 "[ . 1]" 1
451 1 44 ALA MB 1 45 ILE H . . 3.300 2.796 2.651 2.896 . 0 0 "[ . 1]" 1
452 1 23 ALA MB 1 25 ARG H . . 3.370 2.407 2.189 2.675 . 0 0 "[ . 1]" 1
453 1 41 LEU HG 1 42 ALA H . . 4.720 4.682 4.526 4.762 0.042 6 0 "[ . 1]" 1
454 1 39 ILE H 1 39 ILE MG . . 4.540 3.768 3.761 3.775 . 0 0 "[ . 1]" 1
455 1 26 ASN H 1 27 LYS H . . 3.490 2.662 2.502 2.967 . 0 0 "[ . 1]" 1
456 1 91 PHE QE 1 96 PHE QE . . 4.900 4.710 4.476 4.904 0.004 4 0 "[ . 1]" 1
457 1 6 PHE HZ 1 96 PHE QE . . 3.920 2.591 2.486 2.749 . 0 0 "[ . 1]" 1
458 1 3 GLU HA 1 96 PHE QE . . 3.670 2.834 2.410 3.239 . 0 0 "[ . 1]" 1
459 1 83 GLU HA 1 96 PHE QE . . 3.840 2.149 1.932 2.446 . 0 0 "[ . 1]" 1
460 1 92 ASP HA 1 96 PHE QE . . 3.490 2.768 2.527 2.964 . 0 0 "[ . 1]" 1
461 1 84 SER HA 1 96 PHE QE . . 4.210 3.295 3.061 3.485 . 0 0 "[ . 1]" 1
462 1 42 ALA HA 1 67 PHE QD . . 4.340 3.862 3.702 4.174 . 0 0 "[ . 1]" 1
463 1 26 ASN H 1 27 LYS HA . . 4.410 4.307 4.268 4.367 . 0 0 "[ . 1]" 1
464 1 87 TYR HB2 1 88 THR H . . 4.340 3.639 3.588 3.736 . 0 0 "[ . 1]" 1
465 1 87 TYR HB3 1 88 THR H . . 3.260 2.141 2.064 2.273 . 0 0 "[ . 1]" 1
466 1 66 ASP HB2 1 67 PHE QD . . 3.910 3.755 3.403 3.869 . 0 0 "[ . 1]" 1
467 1 48 GLN HE22 1 63 VAL HB . . 3.810 2.284 1.969 2.543 . 0 0 "[ . 1]" 1
468 1 63 VAL HB 1 67 PHE QD . . 3.490 3.066 2.835 3.247 . 0 0 "[ . 1]" 1
469 1 63 VAL HB 1 67 PHE QE . . 3.750 3.093 3.033 3.142 . 0 0 "[ . 1]" 1
470 1 25 ARG HB2 1 26 ASN H . . 3.690 3.098 2.611 3.297 . 0 0 "[ . 1]" 1
471 1 66 ASP HB3 1 67 PHE QD . . 3.350 2.111 2.026 2.291 . 0 0 "[ . 1]" 1
472 1 41 LEU HB2 1 67 PHE QD . . 4.760 3.942 3.791 4.174 . 0 0 "[ . 1]" 1
473 1 45 ILE HG12 1 67 PHE QD . . 5.140 3.730 3.606 3.798 . 0 0 "[ . 1]" 1
474 1 45 ILE HG12 1 67 PHE QE . . 5.130 3.831 3.711 4.001 . 0 0 "[ . 1]" 1
475 1 23 ALA MB 1 26 ASN H . . 3.770 2.010 1.930 2.130 . 0 0 "[ . 1]" 1
476 1 41 LEU HG 1 67 PHE QD . . 4.040 2.185 2.042 2.290 . 0 0 "[ . 1]" 1
477 1 48 GLN HE22 1 63 VAL MG2 . . 3.880 3.324 3.175 3.634 . 0 0 "[ . 1]" 1
478 1 63 VAL MG2 1 67 PHE QD . . 3.700 3.652 3.521 3.725 0.025 4 0 "[ . 1]" 1
479 1 41 LEU MD1 1 67 PHE QD . . 4.430 3.578 3.371 3.732 . 0 0 "[ . 1]" 1
480 1 41 LEU MD2 1 67 PHE QD . . 4.430 3.340 2.684 3.455 . 0 0 "[ . 1]" 1
481 1 107 VAL MG1 1 114 HIS HD2 . . 3.570 2.870 2.724 2.987 . 0 0 "[ . 1]" 1
482 1 45 ILE MG 1 48 GLN HE22 . . 3.470 3.438 3.341 3.511 0.041 8 0 "[ . 1]" 1
483 1 95 ALA MB 1 96 PHE QE . . 3.540 3.238 3.110 3.405 . 0 0 "[ . 1]" 1
484 1 45 ILE MD 1 46 LEU H . . 4.180 3.993 3.917 4.095 . 0 0 "[ . 1]" 1
485 1 45 ILE MD 1 67 PHE QD . . 3.180 2.238 2.092 2.554 . 0 0 "[ . 1]" 1
486 1 45 ILE HG13 1 46 LEU H . . 4.630 4.220 4.155 4.352 . 0 0 "[ . 1]" 1
487 1 45 ILE HG13 1 48 GLN HE22 . . 5.000 3.737 3.414 3.918 . 0 0 "[ . 1]" 1
488 1 45 ILE HG13 1 67 PHE QD . . 4.400 3.326 3.163 3.457 . 0 0 "[ . 1]" 1
489 1 45 ILE HG13 1 67 PHE QE . . 3.950 2.913 2.712 3.250 . 0 0 "[ . 1]" 1
490 1 45 ILE HG13 1 67 PHE HZ . . 4.330 3.787 3.656 4.002 . 0 0 "[ . 1]" 1
491 1 6 PHE QE 1 82 VAL MG2 . . 3.790 1.914 1.892 1.944 . 0 0 "[ . 1]" 1
492 1 6 PHE QE 1 79 LEU HB3 . . 4.820 3.758 3.625 4.045 . 0 0 "[ . 1]" 1
493 1 23 ALA MB 1 27 LYS H . . 5.100 3.965 3.793 4.132 . 0 0 "[ . 1]" 1
494 1 4 ARG HG2 1 6 PHE QE . . 4.740 3.103 2.498 4.022 . 0 0 "[ . 1]" 1
495 1 27 LYS H 1 29 GLU HB2 . . 4.360 4.179 4.105 4.268 . 0 0 "[ . 1]" 1
496 1 26 ASN HB2 1 27 LYS H . . 4.660 4.448 4.330 4.535 . 0 0 "[ . 1]" 1
497 1 43 GLN HE22 1 43 GLN HG2 . . 3.820 3.479 3.473 3.487 . 0 0 "[ . 1]" 1
498 1 40 ASN HB2 1 40 ASN HD21 . . 3.480 2.315 2.181 2.407 . 0 0 "[ . 1]" 1
499 1 26 ASN HB3 1 27 LYS H . . 4.660 4.236 4.122 4.639 . 0 0 "[ . 1]" 1
500 1 40 ASN HA 1 40 ASN HD21 . . 3.580 2.701 2.447 3.132 . 0 0 "[ . 1]" 1
501 1 26 ASN HA 1 27 LYS H . . 3.160 2.825 2.681 2.951 . 0 0 "[ . 1]" 1
502 1 6 PHE QE 1 91 PHE QE . . 3.900 3.565 3.453 3.662 . 0 0 "[ . 1]" 1
503 1 28 GLY H 1 29 GLU H . . 3.800 2.630 2.617 2.639 . 0 0 "[ . 1]" 1
504 1 27 LYS H 1 28 GLY H . . 4.740 4.549 4.528 4.566 . 0 0 "[ . 1]" 1
505 1 22 LEU HA 1 28 GLY H . . 4.010 3.048 2.513 3.297 . 0 0 "[ . 1]" 1
506 1 34 SER H 1 34 SER HB2 . . 3.960 3.773 3.708 3.866 . 0 0 "[ . 1]" 1
507 1 34 SER H 1 37 ASP HB3 . . 3.760 2.998 2.548 3.617 . 0 0 "[ . 1]" 1
508 1 34 SER H 1 37 ASP HB2 . . 3.760 2.187 1.927 2.533 . 0 0 "[ . 1]" 1
509 1 33 ARG HB3 1 34 SER H . . 4.390 2.827 2.107 3.615 . 0 0 "[ . 1]" 1
510 1 33 ARG HB2 1 34 SER H . . 4.390 3.773 2.210 4.202 . 0 0 "[ . 1]" 1
511 1 28 GLY H 1 29 GLU HB2 . . 4.950 4.749 4.647 4.838 . 0 0 "[ . 1]" 1
512 1 27 LYS HB2 1 28 GLY H . . 4.960 4.089 3.259 4.462 . 0 0 "[ . 1]" 1
513 1 27 LYS HB3 1 28 GLY H . . 4.960 3.898 3.661 4.303 . 0 0 "[ . 1]" 1
514 1 34 SER H 1 38 ALA MB . . 5.490 5.184 4.970 5.451 . 0 0 "[ . 1]" 1
515 1 22 LEU MD2 1 28 GLY H . . 5.500 3.718 2.727 5.167 . 0 0 "[ . 1]" 1
516 1 42 ALA MB 1 43 GLN H . . 3.070 2.745 2.590 2.859 . 0 0 "[ . 1]" 1
517 1 57 LEU HB2 1 58 ASP H . . 3.690 3.636 3.573 3.697 0.007 6 0 "[ . 1]" 1
518 1 57 LEU HB3 1 58 ASP H . . 2.960 2.124 2.037 2.210 . 0 0 "[ . 1]" 1
519 1 40 ASN HB3 1 41 LEU H . . 3.600 3.010 2.871 3.235 . 0 0 "[ . 1]" 1
520 1 37 ASP HB2 1 38 ALA H . . 3.850 3.547 3.124 3.846 . 0 0 "[ . 1]" 1
521 1 38 ALA H 1 40 ASN HB2 . . 5.500 5.437 5.351 5.510 0.010 5 0 "[ . 1]" 1
522 1 40 ASN HB2 1 41 LEU H . . 4.010 3.907 3.752 3.989 . 0 0 "[ . 1]" 1
523 1 37 ASP HB3 1 38 ALA H . . 3.850 3.402 2.988 3.889 0.039 2 0 "[ . 1]" 1
524 1 35 ARG HA 1 38 ALA H . . 3.840 3.398 3.299 3.487 . 0 0 "[ . 1]" 1
525 1 39 ILE HA 1 43 GLN H . . 4.570 3.910 3.829 3.992 . 0 0 "[ . 1]" 1
526 1 27 LYS HA 1 29 GLU H . . 3.680 3.387 3.365 3.432 . 0 0 "[ . 1]" 1
527 1 41 LEU H 1 42 ALA HA . . 5.370 5.312 5.232 5.378 0.008 4 0 "[ . 1]" 1
528 1 38 ALA HA 1 41 LEU H . . 3.920 3.860 3.724 3.908 . 0 0 "[ . 1]" 1
529 1 16 VAL HA 1 17 ARG H . . 3.290 2.636 2.534 2.668 . 0 0 "[ . 1]" 1
530 1 20 SER HA 1 29 GLU H . . 5.500 5.455 5.066 5.519 0.019 1 0 "[ . 1]" 1
531 1 26 ASN HD22 1 29 GLU H . . 5.500 5.306 4.574 5.507 0.007 6 0 "[ . 1]" 1
532 1 27 LYS H 1 29 GLU H . . 5.020 4.366 4.342 4.418 . 0 0 "[ . 1]" 1
533 1 38 ALA H 1 39 ILE H . . 3.320 2.626 2.518 2.769 . 0 0 "[ . 1]" 1
534 1 42 ALA H 1 43 GLN H . . 3.530 2.629 2.554 2.677 . 0 0 "[ . 1]" 1
535 1 41 LEU H 1 42 ALA H . . 3.220 2.750 2.654 2.834 . 0 0 "[ . 1]" 1
536 1 37 ASP H 1 38 ALA H . . 3.570 2.434 2.333 2.523 . 0 0 "[ . 1]" 1
537 1 43 GLN H 1 44 ALA H . . 3.200 2.601 2.532 2.698 . 0 0 "[ . 1]" 1
538 1 40 ASN H 1 41 LEU H . . 3.750 2.712 2.669 2.761 . 0 0 "[ . 1]" 1
539 1 58 ASP H 1 59 GLU H . . 3.600 2.730 2.701 2.761 . 0 0 "[ . 1]" 1
540 1 76 ASP H 1 77 GLY H . . 3.820 2.740 2.613 2.814 . 0 0 "[ . 1]" 1
541 1 75 ARG H 1 77 GLY H . . 4.050 3.550 2.996 3.729 . 0 0 "[ . 1]" 1
542 1 47 ALA H 1 48 GLN HE21 . . 5.500 5.403 5.321 5.458 . 0 0 "[ . 1]" 1
543 1 60 PHE H 1 117 TYR QE . . 4.910 4.651 4.585 4.713 . 0 0 "[ . 1]" 1
544 1 103 VAL H 1 117 TYR QE . . 5.500 5.291 5.209 5.488 . 0 0 "[ . 1]" 1
545 1 103 VAL H 1 117 TYR QD . . 4.960 4.887 4.831 4.990 0.030 10 0 "[ . 1]" 1
546 1 2 THR H 1 83 GLU HA . . 5.140 4.507 4.168 4.705 . 0 0 "[ . 1]" 1
547 1 57 LEU MD2 1 58 ASP H . . 3.880 3.749 3.727 3.778 . 0 0 "[ . 1]" 1
548 1 57 LEU MD2 1 60 PHE H . . 4.140 3.908 3.779 4.058 . 0 0 "[ . 1]" 1
549 1 45 ILE MD 1 67 PHE H . . 5.140 4.671 4.443 4.845 . 0 0 "[ . 1]" 1
550 1 31 ILE MG 1 32 THR H . . 3.370 2.436 2.248 2.632 . 0 0 "[ . 1]" 1
551 1 31 ILE HG12 1 32 THR H . . 5.390 5.116 5.051 5.160 . 0 0 "[ . 1]" 1
552 1 31 ILE HG13 1 32 THR H . . 5.370 5.362 5.320 5.379 0.009 8 0 "[ . 1]" 1
553 1 73 ALA H 1 74 LYS HB2 . . 4.230 4.169 4.114 4.214 . 0 0 "[ . 1]" 1
554 1 31 ILE H 1 32 THR H . . 4.580 4.461 4.425 4.502 . 0 0 "[ . 1]" 1
555 1 67 PHE H 1 68 SER H . . 3.410 2.251 2.180 2.339 . 0 0 "[ . 1]" 1
556 1 73 ALA H 1 74 LYS H . . 3.710 2.351 2.337 2.418 . 0 0 "[ . 1]" 1
557 1 64 VAL H 1 65 ARG H . . 3.620 2.762 2.569 2.863 . 0 0 "[ . 1]" 1
558 1 101 GLY H 1 102 GLU H . . 3.570 2.330 2.161 2.473 . 0 0 "[ . 1]" 1
559 1 8 HIS HE1 1 115 LEU H . . 5.380 5.290 4.786 5.401 0.021 6 0 "[ . 1]" 1
560 1 32 THR H 1 33 ARG H . . 3.400 3.296 2.768 3.429 0.029 1 0 "[ . 1]" 1
561 1 96 PHE H 1 96 PHE QD . . 3.380 2.005 1.920 2.145 . 0 0 "[ . 1]" 1
562 1 65 ARG H 1 66 ASP H . . 4.910 2.505 2.327 2.552 . 0 0 "[ . 1]" 1
563 1 101 GLY H 1 117 TYR QD . . 5.060 5.088 5.019 5.139 0.079 8 0 "[ . 1]" 1
564 1 101 GLY H 1 117 TYR QE . . 5.060 4.267 4.180 4.412 . 0 0 "[ . 1]" 1
565 1 114 HIS HA 1 115 LEU H . . 3.300 2.339 2.288 2.374 . 0 0 "[ . 1]" 1
566 1 101 GLY H 1 102 GLU HA . . 5.230 5.029 4.884 5.147 . 0 0 "[ . 1]" 1
567 1 31 ILE HA 1 32 THR H . . 3.140 2.158 2.147 2.175 . 0 0 "[ . 1]" 1
568 1 101 GLY H 1 119 VAL HA . . 5.470 4.279 3.996 4.825 . 0 0 "[ . 1]" 1
569 1 100 SER HA 1 101 GLY H . . 3.310 2.147 2.142 2.151 . 0 0 "[ . 1]" 1
570 1 73 ALA H 1 74 LYS HB3 . . 5.150 5.040 4.961 5.147 . 0 0 "[ . 1]" 1
571 1 65 ARG H 1 66 ASP HB2 . . 4.750 4.503 4.103 4.634 . 0 0 "[ . 1]" 1
572 1 64 VAL HB 1 65 ARG H . . 4.020 2.625 2.267 3.827 . 0 0 "[ . 1]" 1
573 1 86 THR H 1 87 TYR HB3 . . 5.500 5.486 5.430 5.551 0.051 9 0 "[ . 1]" 1
574 1 30 LYS HB2 1 32 THR H . . 5.500 5.518 5.487 5.558 0.058 8 0 "[ . 1]" 1
575 1 42 ALA MB 1 115 LEU H . . 4.580 4.317 4.036 4.584 0.004 7 0 "[ . 1]" 1
576 1 115 LEU H 1 116 ILE HG13 . . 5.430 5.275 5.160 5.429 . 0 0 "[ . 1]" 1
577 1 95 ALA MB 1 96 PHE H . . 3.450 2.499 2.405 2.570 . 0 0 "[ . 1]" 1
578 1 45 ILE MD 1 68 SER H . . 5.030 4.368 4.134 4.498 . 0 0 "[ . 1]" 1
579 1 116 ILE MD 1 117 TYR H . . 4.990 4.808 4.759 4.869 . 0 0 "[ . 1]" 1
580 1 96 PHE H 1 116 ILE MD . . 4.890 4.654 4.580 4.725 . 0 0 "[ . 1]" 1
581 1 45 ILE MD 1 67 PHE HZ . . 4.680 4.592 4.435 4.688 0.008 6 0 "[ . 1]" 1
582 1 116 ILE MG 1 118 ARG H . . 4.720 4.540 4.403 4.793 0.073 10 0 "[ . 1]" 1
583 1 7 TYR QD 1 57 LEU MD2 . . 3.510 2.627 2.498 2.769 . 0 0 "[ . 1]" 1
584 1 7 TYR QD 1 79 LEU MD1 . . 4.950 4.496 4.421 4.654 . 0 0 "[ . 1]" 1
585 1 98 LEU MD1 1 118 ARG H . . 5.380 2.986 2.659 4.294 . 0 0 "[ . 1]" 1
586 1 31 ILE MG 1 33 ARG H . . 2.820 2.352 1.860 2.754 . 0 0 "[ . 1]" 1
587 1 117 TYR HB2 1 118 ARG H . . 4.330 4.271 4.208 4.300 . 0 0 "[ . 1]" 1
588 1 7 TYR QD 1 61 VAL MG2 . . 3.720 2.649 2.199 3.833 0.113 7 0 "[ . 1]" 1
589 1 7 TYR QD 1 57 LEU MD1 . . 4.700 4.374 4.273 4.529 . 0 0 "[ . 1]" 1
590 1 39 ILE MG 1 43 GLN HE21 . . 4.870 3.665 3.504 3.830 . 0 0 "[ . 1]" 1
591 1 7 TYR QD 1 61 VAL MG1 . . 3.720 3.751 3.486 3.828 0.108 4 0 "[ . 1]" 1
592 1 42 ALA MB 1 43 GLN HE21 . . 3.940 3.393 3.184 3.471 . 0 0 "[ . 1]" 1
593 1 118 ARG H 1 118 ARG HB3 . . 4.110 2.683 2.355 3.102 . 0 0 "[ . 1]" 1
594 1 60 PHE QD 1 117 TYR HB3 . . 4.660 2.655 2.545 2.851 . 0 0 "[ . 1]" 1
595 1 94 VAL HB 1 105 ALA H . . 5.180 4.671 4.404 5.074 . 0 0 "[ . 1]" 1
596 1 44 ALA MB 1 67 PHE HZ . . 3.360 3.048 2.853 3.366 0.006 8 0 "[ . 1]" 1
597 1 7 TYR QD 1 79 LEU HG . . 4.000 3.597 3.422 3.826 . 0 0 "[ . 1]" 1
598 1 43 GLN HE21 1 43 GLN HG3 . . 3.480 3.459 3.448 3.475 . 0 0 "[ . 1]" 1
599 1 114 HIS HB3 1 114 HIS HD2 . . 3.830 3.680 3.635 3.710 . 0 0 "[ . 1]" 1
600 1 6 PHE HB2 1 118 ARG H . . 4.740 4.685 4.647 4.731 . 0 0 "[ . 1]" 1
601 1 45 ILE HA 1 67 PHE HZ . . 5.500 4.881 4.726 5.185 . 0 0 "[ . 1]" 1
602 1 100 SER HA 1 118 ARG H . . 5.500 5.157 4.871 5.352 . 0 0 "[ . 1]" 1
603 1 7 TYR QD 1 61 VAL HA . . 3.630 3.564 3.191 3.687 0.057 4 0 "[ . 1]" 1
604 1 39 ILE HA 1 43 GLN HE21 . . 5.150 5.157 5.151 5.162 0.012 9 0 "[ . 1]" 1
605 1 31 ILE HA 1 33 ARG H . . 4.380 4.189 3.776 4.324 . 0 0 "[ . 1]" 1
606 1 32 THR HA 1 33 ARG H . . 3.530 2.701 2.620 2.961 . 0 0 "[ . 1]" 1
607 1 7 TYR QD 1 79 LEU HA . . 5.250 4.924 4.711 5.299 0.049 7 0 "[ . 1]" 1
608 1 103 VAL HA 1 118 ARG H . . 4.200 3.594 3.421 3.727 . 0 0 "[ . 1]" 1
609 1 117 TYR HA 1 118 ARG H . . 3.260 2.142 2.140 2.150 . 0 0 "[ . 1]" 1
610 1 60 PHE QD 1 117 TYR QD . . 3.730 3.256 3.213 3.287 . 0 0 "[ . 1]" 1
611 1 7 TYR QD 1 60 PHE QE . . 4.770 4.027 3.787 4.149 . 0 0 "[ . 1]" 1
612 1 33 ARG H 1 34 SER H . . 4.740 4.504 4.447 4.540 . 0 0 "[ . 1]" 1
613 1 34 SER H 1 37 ASP H . . 4.320 3.329 3.147 3.536 . 0 0 "[ . 1]" 1
614 1 34 SER H 1 36 ALA H . . 5.020 4.753 4.591 4.981 . 0 0 "[ . 1]" 1
615 1 23 ALA H 1 28 GLY H . . 4.950 4.015 3.769 4.142 . 0 0 "[ . 1]" 1
616 1 34 SER H 1 35 ARG HA . . 5.500 5.362 5.207 5.487 . 0 0 "[ . 1]" 1
617 1 31 ILE MG 1 34 SER H . . 5.450 5.212 4.829 5.456 0.006 6 0 "[ . 1]" 1
618 1 22 LEU MD1 1 28 GLY H . . 5.500 5.445 5.230 5.525 0.025 1 0 "[ . 1]" 1
619 1 94 VAL HB 1 95 ALA H . . 3.450 2.408 2.272 2.480 . 0 0 "[ . 1]" 1
620 1 13 HIS HB3 1 35 ARG H . . 4.420 3.794 3.619 4.050 . 0 0 "[ . 1]" 1
621 1 91 PHE HA 1 95 ALA H . . 4.190 3.678 3.481 3.864 . 0 0 "[ . 1]" 1
622 1 93 THR HA 1 95 ALA H . . 5.230 5.052 4.965 5.202 . 0 0 "[ . 1]" 1
623 1 35 ARG H 1 36 ALA HA . . 5.500 5.333 5.261 5.392 . 0 0 "[ . 1]" 1
624 1 86 THR HB 1 87 TYR H . . 4.150 3.539 3.284 3.743 . 0 0 "[ . 1]" 1
625 1 50 LYS HA 1 51 GLU H . . 3.460 2.465 2.363 2.521 . 0 0 "[ . 1]" 1
626 1 34 SER HA 1 35 ARG H . . 3.290 2.434 2.397 2.534 . 0 0 "[ . 1]" 1
627 1 56 SER HA 1 57 LEU H . . 3.270 2.298 2.251 2.343 . 0 0 "[ . 1]" 1
628 1 109 THR HA 1 111 LEU H . . 4.540 4.124 4.017 4.349 . 0 0 "[ . 1]" 1
629 1 13 HIS HD2 1 35 ARG H . . 4.930 4.547 4.441 4.642 . 0 0 "[ . 1]" 1
630 1 91 PHE QD 1 95 ALA H . . 4.920 4.338 4.261 4.413 . 0 0 "[ . 1]" 1
631 1 94 VAL H 1 95 ALA H . . 3.420 2.453 2.421 2.515 . 0 0 "[ . 1]" 1
632 1 87 TYR H 1 96 PHE QE . . 4.830 4.352 3.961 4.838 0.008 3 0 "[ . 1]" 1
633 1 95 ALA H 1 97 SER H . . 5.060 3.932 3.801 4.094 . 0 0 "[ . 1]" 1
634 1 95 ALA H 1 96 PHE QD . . 4.160 4.000 3.914 4.053 . 0 0 "[ . 1]" 1
635 1 35 ARG H 1 37 ASP H . . 4.750 4.137 4.008 4.291 . 0 0 "[ . 1]" 1
636 1 35 ARG H 1 36 ALA H . . 3.680 2.739 2.652 2.811 . 0 0 "[ . 1]" 1
637 1 86 THR H 1 87 TYR H . . 3.860 2.257 2.183 2.335 . 0 0 "[ . 1]" 1
638 1 93 THR H 1 95 ALA H . . 4.660 4.087 3.972 4.482 . 0 0 "[ . 1]" 1
639 1 9 VAL H 1 117 TYR H . . 5.500 5.542 5.500 5.637 0.137 7 0 "[ . 1]" 1
640 1 2 THR HA 1 3 GLU H . . 2.890 2.162 2.142 2.266 . 0 0 "[ . 1]" 1
641 1 37 ASP H 1 39 ILE MD . . 5.040 4.681 4.497 4.847 . 0 0 "[ . 1]" 1
642 1 45 ILE MG 1 64 VAL H . . 5.500 5.074 4.923 5.181 . 0 0 "[ . 1]" 1
643 1 36 ALA MB 1 37 ASP H . . 3.000 2.847 2.628 2.980 . 0 0 "[ . 1]" 1
644 1 37 ASP H 1 38 ALA MB . . 4.320 4.078 3.934 4.172 . 0 0 "[ . 1]" 1
645 1 63 VAL HB 1 64 VAL H . . 4.650 4.249 4.148 4.280 . 0 0 "[ . 1]" 1
646 1 55 TRP HB2 1 103 VAL H . . 4.660 4.246 4.130 4.502 . 0 0 "[ . 1]" 1
647 1 61 VAL HA 1 64 VAL H . . 3.580 3.368 3.293 3.497 . 0 0 "[ . 1]" 1
648 1 35 ARG HA 1 37 ASP H . . 4.290 4.111 3.956 4.298 0.008 3 0 "[ . 1]" 1
649 1 34 SER HA 1 37 ASP H . . 4.620 4.497 4.426 4.627 0.007 8 0 "[ . 1]" 1
650 1 102 GLU HA 1 103 VAL H . . 3.120 2.256 2.180 2.371 . 0 0 "[ . 1]" 1
651 1 103 VAL H 1 117 TYR HA . . 5.220 5.021 4.914 5.127 . 0 0 "[ . 1]" 1
652 1 103 VAL H 1 118 ARG H . . 5.500 5.291 5.079 5.503 0.003 6 0 "[ . 1]" 1
653 1 63 VAL H 1 64 VAL H . . 3.450 2.364 2.330 2.384 . 0 0 "[ . 1]" 1
654 1 55 TRP HD1 1 103 VAL H . . 3.900 2.861 2.615 3.028 . 0 0 "[ . 1]" 1
655 1 102 GLU H 1 103 VAL H . . 4.720 4.394 4.338 4.454 . 0 0 "[ . 1]" 1
656 1 43 GLN H 1 46 LEU H . . 5.360 5.034 4.915 5.116 . 0 0 "[ . 1]" 1
657 1 41 LEU HA 1 43 GLN H . . 4.710 4.442 4.298 4.710 . 8 0 "[ . 1]" 1
658 1 43 GLN H 1 44 ALA HA . . 5.500 5.210 5.148 5.294 . 0 0 "[ . 1]" 1
659 1 36 ALA HA 1 38 ALA H . . 5.370 3.964 3.872 4.099 . 0 0 "[ . 1]" 1
660 1 13 HIS HB3 1 38 ALA H . . 4.080 3.397 3.272 3.583 . 0 0 "[ . 1]" 1
661 1 11 VAL MG2 1 41 LEU H . . 4.680 4.683 4.573 4.764 0.084 7 0 "[ . 1]" 1
662 1 57 LEU MD1 1 58 ASP H . . 3.460 2.412 2.382 2.429 . 0 0 "[ . 1]" 1
663 1 38 ALA H 1 39 ILE MD . . 3.700 3.766 3.726 3.833 0.133 2 0 "[ . 1]" 1
664 1 11 VAL MG1 1 41 LEU H . . 4.680 4.073 3.478 4.684 0.004 2 0 "[ . 1]" 1
665 1 39 ILE MD 1 41 LEU H . . 5.500 5.435 5.354 5.487 . 0 0 "[ . 1]" 1
666 1 11 VAL MG2 1 42 ALA H . . 3.960 3.055 2.882 3.276 . 0 0 "[ . 1]" 1
667 1 42 ALA H 1 43 GLN HB2 . . 5.330 4.842 4.726 4.926 . 0 0 "[ . 1]" 1
668 1 43 GLN HB2 1 45 ILE H . . 5.500 4.881 4.793 5.113 . 0 0 "[ . 1]" 1
669 1 42 ALA H 1 67 PHE HB3 . . 5.500 5.532 5.509 5.551 0.051 7 0 "[ . 1]" 1
670 1 36 ALA HA 1 39 ILE H . . 4.150 3.704 3.581 3.876 . 0 0 "[ . 1]" 1
671 1 45 ILE H 1 46 LEU HA . . 5.500 5.263 5.204 5.331 . 0 0 "[ . 1]" 1
672 1 37 ASP HA 1 39 ILE H . . 5.280 4.619 4.217 4.982 . 0 0 "[ . 1]" 1
673 1 40 ASN HA 1 42 ALA H . . 5.500 4.946 4.890 5.000 . 0 0 "[ . 1]" 1
674 1 45 ILE H 1 48 GLN HE21 . . 5.340 3.993 3.680 4.094 . 0 0 "[ . 1]" 1
675 1 45 ILE H 1 46 LEU H . . 3.430 2.684 2.618 2.753 . 0 0 "[ . 1]" 1
676 1 45 ILE H 1 48 GLN H . . 5.040 4.424 4.305 4.672 . 0 0 "[ . 1]" 1
677 1 66 ASP H 1 67 PHE H . . 3.480 2.071 2.047 2.090 . 0 0 "[ . 1]" 1
678 1 59 GLU H 1 60 PHE H . . 3.560 2.521 2.467 2.562 . 0 0 "[ . 1]" 1
679 1 74 LYS H 1 75 ARG H . . 3.390 2.624 2.591 2.640 . 0 0 "[ . 1]" 1
680 1 47 ALA H 1 48 GLN H . . 3.290 2.209 2.178 2.248 . 0 0 "[ . 1]" 1
681 1 41 LEU H 1 45 ILE MD . . 5.500 5.504 5.446 5.555 0.055 6 0 "[ . 1]" 1
682 1 29 GLU H 1 31 ILE MD . . 5.450 5.220 4.944 5.455 0.005 9 0 "[ . 1]" 1
683 1 74 LYS HB3 1 77 GLY H . . 5.500 5.328 4.990 5.465 . 0 0 "[ . 1]" 1
684 1 41 LEU H 1 43 GLN HG2 . . 5.360 5.142 5.084 5.195 . 0 0 "[ . 1]" 1
685 1 77 GLY H 1 78 ASP HA . . 5.370 5.273 5.059 5.374 0.004 8 0 "[ . 1]" 1
686 1 76 ASP HB3 1 77 GLY H . . 4.900 4.473 4.150 4.563 . 0 0 "[ . 1]" 1
687 1 39 ILE HA 1 41 LEU H . . 4.510 3.876 3.783 3.965 . 0 0 "[ . 1]" 1
688 1 76 ASP HB2 1 77 GLY H . . 4.900 4.184 3.975 4.584 . 0 0 "[ . 1]" 1
689 1 75 ARG HA 1 77 GLY H . . 5.160 4.618 4.322 4.874 . 0 0 "[ . 1]" 1
690 1 26 ASN HA 1 29 GLU H . . 4.310 4.283 4.163 4.362 0.052 5 0 "[ . 1]" 1
691 1 39 ILE H 1 40 ASN HB2 . . 5.040 4.733 4.415 4.977 . 0 0 "[ . 1]" 1
692 1 45 ILE H 1 45 ILE HB . . 3.090 2.519 2.496 2.535 . 0 0 "[ . 1]" 1
693 1 11 VAL HB 1 42 ALA H . . 4.260 4.275 4.199 4.348 0.088 5 0 "[ . 1]" 1
694 1 97 SER H 1 98 LEU H . . 3.350 2.722 2.438 2.882 . 0 0 "[ . 1]" 1
695 1 87 TYR QD 1 88 THR H . . 3.910 2.323 2.222 2.389 . 0 0 "[ . 1]" 1
696 1 91 PHE QD 1 96 PHE QE . . 4.280 4.211 3.903 4.342 0.062 3 0 "[ . 1]" 1
697 1 6 PHE HZ 1 96 PHE HZ . . 4.320 3.528 3.265 3.690 . 0 0 "[ . 1]" 1
698 1 3 GLU HA 1 96 PHE HZ . . 4.610 4.106 3.674 4.623 0.013 8 0 "[ . 1]" 1
699 1 83 GLU HA 1 96 PHE HZ . . 3.710 3.012 2.821 3.537 . 0 0 "[ . 1]" 1
700 1 87 TYR HA 1 88 THR H . . 3.260 2.634 2.558 2.677 . 0 0 "[ . 1]" 1
701 1 66 ASP HA 1 67 PHE QD . . 4.460 4.208 4.072 4.415 . 0 0 "[ . 1]" 1
702 1 114 HIS HD2 1 115 LEU HA . . 5.100 4.426 4.366 4.477 . 0 0 "[ . 1]" 1
703 1 88 THR HB 1 91 PHE H . . 4.870 4.594 4.469 4.891 0.021 9 0 "[ . 1]" 1
704 1 5 HIS HD2 1 81 MET HA . . 4.880 4.795 4.640 4.889 0.009 6 0 "[ . 1]" 1
705 1 47 ALA HA 1 49 HIS H . . 3.990 3.487 3.407 3.718 . 0 0 "[ . 1]" 1
706 1 89 GLU HA 1 91 PHE H . . 4.220 3.551 3.454 3.583 . 0 0 "[ . 1]" 1
707 1 104 SER HA 1 105 ALA H . . 3.010 2.484 2.352 2.525 . 0 0 "[ . 1]" 1
708 1 63 VAL HA 1 67 PHE QD . . 2.900 2.837 2.688 3.016 0.116 6 0 "[ . 1]" 1
709 1 43 GLN HA 1 43 GLN HE21 . . 4.270 2.448 2.361 2.557 . 0 0 "[ . 1]" 1
710 1 60 PHE HA 1 60 PHE QD . . 3.280 2.433 2.351 2.577 . 0 0 "[ . 1]" 1
711 1 55 TRP HE3 1 56 SER HB3 . . 4.190 3.734 3.556 3.908 . 0 0 "[ . 1]" 1
712 1 59 GLU HA 1 62 GLN H . . 4.270 3.939 3.759 4.004 . 0 0 "[ . 1]" 1
713 1 84 SER HA 1 96 PHE HZ . . 3.920 3.497 3.161 3.708 . 0 0 "[ . 1]" 1
714 1 42 ALA HA 1 46 LEU H . . 4.520 4.494 4.373 4.573 0.053 5 0 "[ . 1]" 1
715 1 94 VAL HA 1 97 SER H . . 4.030 3.173 3.084 3.258 . 0 0 "[ . 1]" 1
716 1 95 ALA HA 1 97 SER H . . 5.260 4.202 3.873 4.511 . 0 0 "[ . 1]" 1
717 1 82 VAL HB 1 96 PHE HZ . . 3.870 2.861 2.485 3.283 . 0 0 "[ . 1]" 1
718 1 45 ILE HB 1 46 LEU H . . 3.530 2.276 2.160 2.478 . 0 0 "[ . 1]" 1
719 1 45 ILE HG12 1 48 GLN HE22 . . 3.850 3.033 2.923 3.182 . 0 0 "[ . 1]" 1
720 1 45 ILE MG 1 46 LEU H . . 3.720 3.147 3.055 3.253 . 0 0 "[ . 1]" 1
721 1 102 GLU H 1 117 TYR QD . . 5.080 5.003 4.866 5.121 0.041 10 0 "[ . 1]" 1
722 1 102 GLU H 1 117 TYR QE . . 5.040 4.712 4.523 4.967 . 0 0 "[ . 1]" 1
723 1 102 GLU H 1 117 TYR HA . . 5.190 4.810 4.734 4.889 . 0 0 "[ . 1]" 1
724 1 47 ALA HA 1 48 GLN H . . 3.470 3.361 3.328 3.409 . 0 0 "[ . 1]" 1
725 1 58 ASP HA 1 59 GLU H . . 3.390 3.450 3.427 3.459 0.069 4 0 "[ . 1]" 1
726 1 8 HIS HE1 1 10 LEU HA . . 4.160 2.869 2.406 2.982 . 0 0 "[ . 1]" 1
727 1 46 LEU HA 1 48 GLN H . . 5.020 4.025 3.948 4.076 . 0 0 "[ . 1]" 1
728 1 8 HIS HB2 1 8 HIS HE1 . . 5.300 4.728 4.718 4.743 . 0 0 "[ . 1]" 1
729 1 8 HIS HE1 1 9 VAL HA . . 5.500 4.911 4.691 5.052 . 0 0 "[ . 1]" 1
730 1 45 ILE HA 1 48 GLN H . . 3.960 3.141 3.111 3.178 . 0 0 "[ . 1]" 1
731 1 100 SER HA 1 102 GLU H . . 3.800 3.762 3.662 3.798 . 0 0 "[ . 1]" 1
732 1 8 HIS HE1 1 114 HIS HB2 . . 4.000 2.985 2.576 3.211 . 0 0 "[ . 1]" 1
733 1 40 ASN HB2 1 40 ASN HD22 . . 3.540 3.512 3.459 3.550 0.010 4 0 "[ . 1]" 1
734 1 8 HIS HE1 1 70 CYS HB3 . . 4.920 4.580 4.110 4.930 0.010 2 0 "[ . 1]" 1
735 1 70 CYS H 1 70 CYS HB3 . . 4.120 2.756 2.558 2.841 . 0 0 "[ . 1]" 1
736 1 26 ASN HD21 1 29 GLU HB3 . . 3.710 2.728 1.907 2.953 . 0 0 "[ . 1]" 1
737 1 10 LEU HB2 1 70 CYS H . . 3.500 3.156 2.974 3.296 . 0 0 "[ . 1]" 1
738 1 47 ALA MB 1 48 GLN H . . 3.300 3.135 3.051 3.200 . 0 0 "[ . 1]" 1
739 1 98 LEU HB3 1 102 GLU H . . 5.000 4.655 4.498 4.929 . 0 0 "[ . 1]" 1
740 1 8 HIS HE1 1 10 LEU MD2 . . 3.720 3.423 3.192 3.515 . 0 0 "[ . 1]" 1
741 1 10 LEU MD2 1 70 CYS H . . 4.760 4.642 4.470 4.780 0.020 6 0 "[ . 1]" 1
742 1 57 LEU MD1 1 59 GLU H . . 4.800 4.202 4.171 4.220 . 0 0 "[ . 1]" 1
743 1 8 HIS HE1 1 10 LEU HG . . 3.190 1.975 1.935 1.988 . 0 0 "[ . 1]" 1
744 1 45 ILE MG 1 48 GLN H . . 4.510 4.202 4.139 4.257 . 0 0 "[ . 1]" 1
745 1 98 LEU MD2 1 102 GLU H . . 5.240 4.376 4.244 4.711 . 0 0 "[ . 1]" 1
746 1 26 ASN HD21 1 31 ILE MD . . 3.790 2.665 2.418 3.131 . 0 0 "[ . 1]" 1
747 1 98 LEU MD1 1 102 GLU H . . 5.240 4.805 4.667 5.315 0.075 10 0 "[ . 1]" 1
748 1 8 HIS HE1 1 10 LEU HB3 . . 4.000 3.731 3.639 3.885 . 0 0 "[ . 1]" 1
749 1 10 LEU HB3 1 70 CYS H . . 4.350 2.579 2.376 2.723 . 0 0 "[ . 1]" 1
750 1 57 LEU MD2 1 59 GLU H . . 4.960 4.578 4.507 4.661 . 0 0 "[ . 1]" 1
751 1 8 HIS HE1 1 79 LEU MD2 . . 5.100 4.691 4.566 4.956 . 0 0 "[ . 1]" 1
752 1 8 HIS HE1 1 10 LEU MD1 . . 3.720 3.248 3.100 3.442 . 0 0 "[ . 1]" 1
753 1 10 LEU MD1 1 70 CYS H . . 4.760 3.102 2.919 3.358 . 0 0 "[ . 1]" 1
754 1 91 PHE H 1 116 ILE MD . . 5.390 4.779 4.495 4.985 . 0 0 "[ . 1]" 1
755 1 95 ALA MB 1 96 PHE HZ . . 5.270 5.176 5.002 5.304 0.034 7 0 "[ . 1]" 1
756 1 13 HIS HE1 1 16 VAL MG1 . . 3.620 3.221 3.091 3.326 . 0 0 "[ . 1]" 1
757 1 4 ARG HB2 1 96 PHE QE . . 4.850 3.930 3.680 4.370 . 0 0 "[ . 1]" 1
758 1 118 ARG HG2 1 119 VAL H . . 5.500 3.893 2.979 4.535 . 0 0 "[ . 1]" 1
759 1 118 ARG HG3 1 119 VAL H . . 5.500 3.301 2.719 4.793 . 0 0 "[ . 1]" 1
760 1 48 GLN HE22 1 55 TRP HH2 . . 5.390 4.881 4.699 5.129 . 0 0 "[ . 1]" 1
761 1 49 HIS HA 1 50 LYS H . . 3.410 2.982 2.950 3.053 . 0 0 "[ . 1]" 1
762 1 95 ALA HA 1 96 PHE QD . . 5.500 4.656 4.617 4.703 . 0 0 "[ . 1]" 1
763 1 46 LEU HB2 1 55 TRP HZ2 . . 5.460 4.719 4.592 4.807 . 0 0 "[ . 1]" 1
764 1 60 PHE HB3 1 62 GLN H . . 5.500 4.766 4.539 4.914 . 0 0 "[ . 1]" 1
765 1 4 ARG HB2 1 96 PHE QD . . 4.340 4.001 3.754 4.466 0.126 9 0 "[ . 1]" 1
766 1 113 VAL H 1 113 VAL MG2 . . 4.030 1.990 1.917 2.108 . 0 0 "[ . 1]" 1
767 1 95 ALA H 1 98 LEU MD2 . . 5.500 5.479 5.371 5.686 0.186 10 0 "[ . 1]" 1
768 1 95 ALA H 1 116 ILE HG12 . . 5.500 5.540 5.462 5.632 0.132 10 0 "[ . 1]" 1
769 1 111 LEU H 1 111 LEU MD2 . . 3.630 2.783 2.204 3.054 . 0 0 "[ . 1]" 1
770 1 78 ASP HA 1 79 LEU H . . 3.480 2.170 2.142 2.292 . 0 0 "[ . 1]" 1
771 1 88 THR HA 1 89 GLU H . . 2.960 2.450 2.322 2.611 . 0 0 "[ . 1]" 1
772 1 88 THR HB 1 89 GLU H . . 3.380 2.364 1.946 2.629 . 0 0 "[ . 1]" 1
773 1 70 CYS HA 1 71 GLY H . . 3.500 2.488 2.199 3.259 . 0 0 "[ . 1]" 1
774 1 116 ILE HA 1 117 TYR H . . 3.480 2.293 2.261 2.312 . 0 0 "[ . 1]" 1
775 1 82 VAL HA 1 83 GLU H . . 2.990 2.189 2.152 2.232 . 0 0 "[ . 1]" 1
776 1 53 LYS H 1 54 THR HB . . 5.500 5.158 4.534 5.441 . 0 0 "[ . 1]" 1
777 1 83 GLU HA 1 84 SER H . . 2.990 2.357 2.272 2.419 . 0 0 "[ . 1]" 1
778 1 52 ARG H 1 54 THR H . . 5.500 4.941 4.700 5.312 . 0 0 "[ . 1]" 1
779 1 62 GLN H 1 62 GLN HE21 . . 5.500 4.741 4.029 5.497 . 0 0 "[ . 1]" 1
780 1 49 HIS HD2 1 52 ARG H . . 5.120 4.871 4.650 5.125 0.005 1 0 "[ . 1]" 1
781 1 51 GLU HA 1 52 ARG H . . 3.310 3.094 3.042 3.185 . 0 0 "[ . 1]" 1
782 1 50 LYS HA 1 52 ARG H . . 3.730 3.049 3.010 3.114 . 0 0 "[ . 1]" 1
783 1 62 GLN HA 1 62 GLN HE21 . . 4.090 3.117 2.013 3.972 . 0 0 "[ . 1]" 1
784 1 51 GLU HB2 1 52 ARG H . . 5.190 3.926 3.716 4.010 . 0 0 "[ . 1]" 1
785 1 51 GLU HB3 1 52 ARG H . . 5.190 4.299 4.082 4.499 . 0 0 "[ . 1]" 1
786 1 116 ILE HB 1 117 TYR H . . 4.190 3.476 3.348 3.567 . 0 0 "[ . 1]" 1
787 1 5 HIS HE1 1 57 LEU MD1 . . 5.500 4.975 4.726 5.516 0.016 6 0 "[ . 1]" 1
788 1 90 GLY H 1 93 THR HG1 . . 5.070 2.266 2.069 2.592 . 0 0 "[ . 1]" 1
789 1 2 THR HG1 1 84 SER H . . 4.090 3.947 3.712 4.088 . 0 0 "[ . 1]" 1
790 1 79 LEU HB3 1 80 GLY H . . 4.250 2.665 2.361 2.797 . 0 0 "[ . 1]" 1
791 1 79 LEU HG 1 80 GLY H . . 5.330 5.051 4.909 5.117 . 0 0 "[ . 1]" 1
792 1 3 GLU HB3 1 84 SER H . . 5.500 5.421 4.977 5.611 0.111 9 0 "[ . 1]" 1
793 1 52 ARG HG2 1 53 LYS H . . 5.500 4.723 4.049 4.995 . 0 0 "[ . 1]" 1
794 1 52 ARG HG3 1 53 LYS H . . 5.500 4.467 3.752 4.897 . 0 0 "[ . 1]" 1
795 1 53 LYS H 1 54 THR HG1 . . 5.370 3.230 2.683 3.560 . 0 0 "[ . 1]" 1
796 1 83 GLU HB2 1 84 SER H . . 4.040 3.544 2.576 3.868 . 0 0 "[ . 1]" 1
797 1 83 GLU HB3 1 84 SER H . . 4.040 2.844 2.414 4.137 0.097 8 0 "[ . 1]" 1
798 1 79 LEU HB2 1 80 GLY H . . 4.600 3.406 3.288 3.536 . 0 0 "[ . 1]" 1
799 1 89 GLU HG2 1 90 GLY H . . 3.920 2.748 2.202 3.832 . 0 0 "[ . 1]" 1
800 1 89 GLU HG3 1 90 GLY H . . 3.920 3.117 2.273 3.890 . 0 0 "[ . 1]" 1
801 1 70 CYS HB3 1 71 GLY H . . 5.170 4.291 3.577 4.425 . 0 0 "[ . 1]" 1
802 1 5 HIS HB3 1 5 HIS HE1 . . 5.200 4.746 4.720 4.765 . 0 0 "[ . 1]" 1
803 1 90 GLY H 1 91 PHE HB2 . . 5.500 5.529 5.495 5.569 0.069 9 0 "[ . 1]" 1
804 1 70 CYS HB2 1 71 GLY H . . 5.220 4.616 4.243 4.667 . 0 0 "[ . 1]" 1
805 1 7 TYR HB2 1 117 TYR H . . 5.440 3.924 3.834 3.998 . 0 0 "[ . 1]" 1
806 1 7 TYR HB3 1 117 TYR H . . 5.220 4.976 4.911 5.068 . 0 0 "[ . 1]" 1
807 1 71 GLY H 1 72 SER HA . . 5.280 5.011 4.299 5.176 . 0 0 "[ . 1]" 1
808 1 103 VAL HA 1 117 TYR H . . 4.950 4.975 4.921 5.013 0.063 6 0 "[ . 1]" 1
809 1 3 GLU HA 1 84 SER H . . 4.450 4.056 3.753 4.316 . 0 0 "[ . 1]" 1
810 1 5 HIS HE1 1 7 TYR QE . . 3.530 3.360 2.522 3.570 0.040 9 0 "[ . 1]" 1
811 1 6 PHE QE 1 80 GLY H . . 5.500 5.509 5.431 5.557 0.057 10 0 "[ . 1]" 1
812 1 5 HIS HE1 1 7 TYR QD . . 5.320 4.973 4.609 5.219 . 0 0 "[ . 1]" 1
813 1 117 TYR H 1 118 ARG H . . 4.650 4.190 4.156 4.236 . 0 0 "[ . 1]" 1
814 1 53 LYS H 1 54 THR H . . 3.890 3.584 3.190 3.809 . 0 0 "[ . 1]" 1
815 1 84 SER H 1 96 PHE QD . . 5.060 3.833 3.491 4.021 . 0 0 "[ . 1]" 1
816 1 90 GLY H 1 91 PHE H . . 3.840 2.930 2.895 2.985 . 0 0 "[ . 1]" 1
817 1 84 SER H 1 96 PHE QE . . 4.170 2.397 2.182 2.615 . 0 0 "[ . 1]" 1
818 1 52 ARG H 1 53 LYS H . . 4.780 4.052 3.784 4.463 . 0 0 "[ . 1]" 1
819 1 70 CYS H 1 71 GLY H . . 5.170 3.725 2.529 4.221 . 0 0 "[ . 1]" 1
820 1 80 GLY H 1 81 MET H . . 4.520 4.372 4.287 4.497 . 0 0 "[ . 1]" 1
821 1 2 THR H 1 84 SER H . . 4.740 4.433 3.322 4.744 0.004 4 0 "[ . 1]" 1
822 1 90 GLY H 1 92 ASP H . . 4.590 4.241 4.005 4.357 . 0 0 "[ . 1]" 1
823 1 71 GLY H 1 73 ALA H . . 5.360 5.331 5.251 5.383 0.023 6 0 "[ . 1]" 1
824 1 57 LEU H 1 58 ASP H . . 3.560 2.790 2.668 2.844 . 0 0 "[ . 1]" 1
825 1 99 LYS H 1 100 SER H . . 4.830 4.527 4.482 4.556 . 0 0 "[ . 1]" 1
826 1 60 PHE H 1 61 VAL H . . 3.690 2.503 2.421 2.782 . 0 0 "[ . 1]" 1
827 1 90 GLY H 1 93 THR H . . 4.810 3.245 3.166 3.314 . 0 0 "[ . 1]" 1
828 1 50 LYS H 1 50 LYS HG3 . . 4.940 4.020 3.927 4.167 . 0 0 "[ . 1]" 1
829 1 56 SER H 1 60 PHE H . . 5.280 5.149 4.938 5.279 . 0 0 "[ . 1]" 1
830 1 56 SER H 1 59 GLU H . . 5.120 4.848 4.726 5.034 . 0 0 "[ . 1]" 1
831 1 11 VAL HA 1 69 GLU H . . 5.320 4.214 3.998 4.629 . 0 0 "[ . 1]" 1
832 1 68 SER HB2 1 69 GLU H . . 5.500 4.060 3.917 4.175 . 0 0 "[ . 1]" 1
833 1 68 SER HB3 1 69 GLU H . . 5.500 3.802 3.575 3.952 . 0 0 "[ . 1]" 1
834 1 56 SER H 1 59 GLU HB3 . . 4.700 3.169 3.005 3.374 . 0 0 "[ . 1]" 1
835 1 8 HIS H 1 64 VAL HB . . 5.500 5.507 5.152 5.610 0.110 9 0 "[ . 1]" 1
836 1 56 SER H 1 59 GLU HG3 . . 5.500 4.891 4.688 5.262 . 0 0 "[ . 1]" 1
837 1 56 SER H 1 59 GLU HG2 . . 4.830 3.787 3.569 4.130 . 0 0 "[ . 1]" 1
838 1 108 GLU HB3 1 109 THR H . . 4.470 3.789 3.698 3.818 . 0 0 "[ . 1]" 1
839 1 108 GLU HB2 1 109 THR H . . 4.470 4.317 4.280 4.345 . 0 0 "[ . 1]" 1
840 1 8 HIS H 1 79 LEU HB2 . . 5.500 5.510 5.473 5.527 0.027 10 0 "[ . 1]" 1
841 1 56 SER H 1 59 GLU HB2 . . 4.340 4.006 3.853 4.264 . 0 0 "[ . 1]" 1
842 1 110 GLU H 1 111 LEU HG . . 5.470 4.176 4.038 4.443 . 0 0 "[ . 1]" 1
843 1 10 LEU HB2 1 69 GLU H . . 4.640 3.407 3.175 3.528 . 0 0 "[ . 1]" 1
844 1 8 HIS H 1 117 TYR HB3 . . 5.290 4.945 4.859 5.084 . 0 0 "[ . 1]" 1
845 1 11 VAL H 1 38 ALA MB . . 5.500 5.371 5.210 5.529 0.029 9 0 "[ . 1]" 1
846 1 110 GLU H 1 111 LEU HB3 . . 5.500 5.203 5.124 5.291 . 0 0 "[ . 1]" 1
847 1 11 VAL H 1 42 ALA MB . . 5.430 5.006 4.840 5.172 . 0 0 "[ . 1]" 1
848 1 109 THR HG1 1 110 GLU H . . 5.500 4.844 4.752 4.956 . 0 0 "[ . 1]" 1
849 1 54 THR HG1 1 55 TRP H . . 5.500 5.149 4.926 5.218 . 0 0 "[ . 1]" 1
850 1 110 GLU H 1 111 LEU MD2 . . 5.500 4.168 3.464 4.578 . 0 0 "[ . 1]" 1
851 1 10 LEU HG 1 69 GLU H . . 5.350 5.148 4.979 5.358 0.008 6 0 "[ . 1]" 1
852 1 7 TYR H 1 117 TYR HB2 . . 5.110 4.681 4.597 4.825 . 0 0 "[ . 1]" 1
853 1 10 LEU HB3 1 69 GLU H . . 5.410 2.184 2.005 2.409 . 0 0 "[ . 1]" 1
854 1 104 SER H 1 116 ILE MD . . 4.770 4.774 4.696 4.799 0.029 2 0 "[ . 1]" 1
855 1 103 VAL MG2 1 104 SER H . . 4.000 3.781 3.715 3.835 . 0 0 "[ . 1]" 1
856 1 79 LEU H 1 80 GLY H . . 5.010 4.585 4.547 4.606 . 0 0 "[ . 1]" 1
857 1 89 GLU H 1 90 GLY H . . 5.400 4.611 4.597 4.636 . 0 0 "[ . 1]" 1
858 1 57 LEU H 1 60 PHE H . . 5.180 4.779 4.679 4.866 . 0 0 "[ . 1]" 1
859 1 57 LEU H 1 59 GLU H . . 4.910 3.620 3.518 3.721 . 0 0 "[ . 1]" 1
860 1 111 LEU H 1 112 GLY H . . 3.470 2.394 2.294 2.581 . 0 0 "[ . 1]" 1
861 1 88 THR H 1 89 GLU H . . 4.670 4.566 4.499 4.598 . 0 0 "[ . 1]" 1
862 1 7 TYR QD 1 79 LEU H . . 4.460 2.161 1.947 2.413 . 0 0 "[ . 1]" 1
863 1 61 VAL H 1 62 GLN H . . 3.620 2.758 2.616 2.830 . 0 0 "[ . 1]" 1
864 1 59 GLU H 1 61 VAL H . . 4.340 4.146 3.888 4.394 0.054 6 0 "[ . 1]" 1
865 1 6 PHE QD 1 79 LEU H . . 5.500 4.496 4.402 4.661 . 0 0 "[ . 1]" 1
866 1 8 HIS HD2 1 79 LEU H . . 5.500 4.584 4.345 4.900 . 0 0 "[ . 1]" 1
867 1 6 PHE QE 1 82 VAL H . . 4.910 4.466 4.308 4.690 . 0 0 "[ . 1]" 1
868 1 78 ASP H 1 79 LEU H . . 4.800 4.432 4.345 4.549 . 0 0 "[ . 1]" 1
869 1 60 PHE QD 1 61 VAL H . . 4.980 3.720 3.291 3.979 . 0 0 "[ . 1]" 1
870 1 7 TYR H 1 60 PHE QD . . 5.300 4.688 4.559 4.860 . 0 0 "[ . 1]" 1
871 1 7 TYR QE 1 79 LEU H . . 4.080 3.983 3.762 4.107 0.027 6 0 "[ . 1]" 1
872 1 57 LEU H 1 117 TYR QE . . 5.080 4.496 4.325 4.667 . 0 0 "[ . 1]" 1
873 1 7 TYR HA 1 79 LEU H . . 3.770 2.172 2.017 2.443 . 0 0 "[ . 1]" 1
874 1 108 GLU HA 1 113 VAL H . . 4.740 4.585 4.311 4.738 . 0 0 "[ . 1]" 1
875 1 57 LEU HA 1 61 VAL H . . 4.280 4.197 3.965 4.300 0.020 3 0 "[ . 1]" 1
876 1 61 VAL H 1 62 GLN HA . . 5.500 5.340 5.224 5.395 . 0 0 "[ . 1]" 1
877 1 87 TYR H 1 91 PHE HB3 . . 5.500 5.403 5.238 5.545 0.045 8 0 "[ . 1]" 1
878 1 57 LEU H 1 58 ASP HB3 . . 5.380 4.908 4.843 5.058 . 0 0 "[ . 1]" 1
879 1 57 LEU H 1 59 GLU HB3 . . 5.500 4.721 4.619 4.799 . 0 0 "[ . 1]" 1
880 1 57 LEU H 1 58 ASP HB2 . . 5.220 5.061 4.890 5.188 . 0 0 "[ . 1]" 1
881 1 109 THR HG1 1 111 LEU H . . 5.060 4.810 4.558 5.059 . 0 0 "[ . 1]" 1
882 1 95 ALA H 1 98 LEU MD1 . . 5.500 3.973 3.596 4.176 . 0 0 "[ . 1]" 1
883 1 16 VAL MG1 1 113 VAL H . . 4.880 4.765 4.519 4.932 0.052 5 0 "[ . 1]" 1
884 1 22 LEU HA 1 29 GLU H . . 5.100 4.867 4.583 4.928 . 0 0 "[ . 1]" 1
885 1 102 GLU H 1 118 ARG H . . 4.420 3.309 3.126 3.413 . 0 0 "[ . 1]" 1
886 1 6 PHE H 1 7 TYR QD . . 4.700 4.610 4.335 4.737 0.037 1 0 "[ . 1]" 1
887 1 55 TRP HB3 1 102 GLU H . . 5.010 4.862 4.652 5.069 0.059 10 0 "[ . 1]" 1
888 1 58 ASP H 1 61 VAL H . . 5.240 4.942 4.821 5.235 . 0 0 "[ . 1]" 1
889 1 61 VAL H 1 63 VAL H . . 4.410 4.364 4.244 4.465 0.055 6 0 "[ . 1]" 1
890 1 98 LEU H 1 99 LYS H . . 5.500 4.563 4.534 4.580 . 0 0 "[ . 1]" 1
891 1 7 TYR QE 1 61 VAL H . . 4.820 4.368 3.968 4.505 . 0 0 "[ . 1]" 1
892 1 7 TYR H 1 117 TYR QD . . 4.070 3.317 3.271 3.377 . 0 0 "[ . 1]" 1
893 1 61 VAL H 1 117 TYR QE . . 5.500 5.539 5.325 5.693 0.193 4 0 "[ . 1]" 1
894 1 58 ASP HA 1 61 VAL H . . 4.310 3.517 3.348 3.992 . 0 0 "[ . 1]" 1
895 1 98 LEU HA 1 99 LYS H . . 3.120 2.395 2.390 2.401 . 0 0 "[ . 1]" 1
896 1 96 PHE QD 1 116 ILE MD . . 5.500 4.981 4.851 5.073 . 0 0 "[ . 1]" 1
897 1 114 HIS HE1 1 116 ILE MD . . 5.500 5.383 5.158 5.516 0.016 10 0 "[ . 1]" 1
898 1 87 TYR QE 1 114 HIS HE1 . . 3.520 2.481 2.051 2.958 . 0 0 "[ . 1]" 1
899 1 6 PHE HA 1 119 VAL H . . 3.810 2.599 2.372 2.728 . 0 0 "[ . 1]" 1
900 1 13 HIS H 1 13 HIS HE1 . . 4.740 4.417 4.149 4.630 . 0 0 "[ . 1]" 1
901 1 91 PHE QE 1 114 HIS HE1 . . 4.340 3.378 3.173 3.547 . 0 0 "[ . 1]" 1
902 1 117 TYR QD 1 119 VAL H . . 4.490 3.903 3.697 4.004 . 0 0 "[ . 1]" 1
903 1 87 TYR QD 1 114 HIS HE1 . . 4.320 3.514 3.164 3.819 . 0 0 "[ . 1]" 1
904 1 55 TRP HD1 1 117 TYR QE . . 4.950 4.450 4.353 4.536 . 0 0 "[ . 1]" 1
905 1 6 PHE HA 1 6 PHE QD . . 3.680 3.644 3.625 3.653 . 0 0 "[ . 1]" 1
906 1 6 PHE QD 1 91 PHE QE . . 4.370 4.312 3.944 4.419 0.049 8 0 "[ . 1]" 1
907 1 5 HIS HA 1 6 PHE QD . . 4.290 4.208 4.157 4.290 . 0 0 "[ . 1]" 1
908 1 49 HIS HD2 1 55 TRP HA . . 3.830 3.602 3.277 3.837 0.007 4 0 "[ . 1]" 1
909 1 55 TRP HD1 1 102 GLU HA . . 3.820 3.422 3.124 3.755 . 0 0 "[ . 1]" 1
910 1 49 HIS HD2 1 54 THR HB . . 4.410 4.274 3.941 4.429 0.019 8 0 "[ . 1]" 1
911 1 46 LEU HA 1 55 TRP HH2 . . 4.490 4.267 4.224 4.306 . 0 0 "[ . 1]" 1
912 1 46 LEU HA 1 60 PHE QE . . 5.500 5.565 5.530 5.611 0.111 8 0 "[ . 1]" 1
913 1 98 LEU H 1 99 LYS HA . . 5.500 5.230 5.106 5.283 . 0 0 "[ . 1]" 1
914 1 8 HIS HD2 1 79 LEU HA . . 5.180 4.901 4.651 5.123 . 0 0 "[ . 1]" 1
915 1 59 GLU HA 1 63 VAL H . . 5.370 4.946 4.674 5.112 . 0 0 "[ . 1]" 1
916 1 45 ILE HA 1 55 TRP HH2 . . 4.640 3.662 3.388 3.742 . 0 0 "[ . 1]" 1
917 1 61 VAL HA 1 63 VAL H . . 4.520 4.429 4.385 4.462 . 0 0 "[ . 1]" 1
918 1 16 VAL H 1 19 PRO HD3 . . 5.090 3.525 3.435 3.650 . 0 0 "[ . 1]" 1
919 1 8 HIS HD2 1 70 CYS HB2 . . 5.190 5.059 4.942 5.206 0.016 5 0 "[ . 1]" 1
920 1 7 TYR HB3 1 60 PHE HZ . . 5.120 5.142 5.000 5.188 0.068 8 0 "[ . 1]" 1
921 1 55 TRP HB2 1 55 TRP HD1 . . 3.540 2.579 2.575 2.584 . 0 0 "[ . 1]" 1
922 1 63 VAL H 1 64 VAL HB . . 5.010 4.566 4.390 4.625 . 0 0 "[ . 1]" 1
923 1 6 PHE QD 1 79 LEU HB2 . . 4.270 2.525 2.439 2.778 . 0 0 "[ . 1]" 1
924 1 16 VAL H 1 19 PRO HB3 . . 4.650 2.983 2.943 3.019 . 0 0 "[ . 1]" 1
925 1 49 HIS HD2 1 54 THR HG1 . . 4.900 4.686 3.510 4.922 0.022 3 0 "[ . 1]" 1
926 1 55 TRP HD1 1 103 VAL HB . . 4.330 3.125 3.027 3.169 . 0 0 "[ . 1]" 1
927 1 60 PHE QE 1 63 VAL MG2 . . 3.480 3.133 2.953 3.487 0.007 7 0 "[ . 1]" 1
928 1 8 HIS HD2 1 79 LEU MD1 . . 4.160 3.815 3.669 4.102 . 0 0 "[ . 1]" 1
929 1 55 TRP HD1 1 103 VAL MG1 . . 4.530 4.522 4.402 4.566 0.036 3 0 "[ . 1]" 1
930 1 6 PHE QD 1 79 LEU MD1 . . 3.140 1.927 1.886 1.998 . 0 0 "[ . 1]" 1
931 1 45 ILE MD 1 60 PHE HZ . . 5.120 4.438 4.266 4.757 . 0 0 "[ . 1]" 1
932 1 55 TRP HD1 1 103 VAL MG2 . . 4.530 2.570 2.517 2.637 . 0 0 "[ . 1]" 1
933 1 6 PHE QD 1 116 ILE MD . . 5.370 4.987 4.835 5.076 . 0 0 "[ . 1]" 1
934 1 94 VAL H 1 116 ILE MD . . 4.370 4.069 3.982 4.202 . 0 0 "[ . 1]" 1
935 1 45 ILE HG13 1 48 GLN HE21 . . 4.520 3.176 2.505 3.376 . 0 0 "[ . 1]" 1
936 1 63 VAL MG2 1 64 VAL H . . 4.030 2.286 2.179 2.325 . 0 0 "[ . 1]" 1
937 1 63 VAL MG1 1 64 VAL H . . 3.850 3.666 3.590 3.779 . 0 0 "[ . 1]" 1
938 1 5 HIS HA 1 81 MET H . . 5.460 5.241 5.093 5.393 . 0 0 "[ . 1]" 1
939 1 62 GLN H 1 64 VAL H . . 4.230 3.696 3.663 3.724 . 0 0 "[ . 1]" 1
940 1 64 VAL H 1 66 ASP H . . 4.520 3.678 3.615 3.840 . 0 0 "[ . 1]" 1
941 1 64 VAL H 1 67 PHE QD . . 5.080 5.063 5.012 5.102 0.022 3 0 "[ . 1]" 1
942 1 96 PHE H 1 97 SER H . . 3.630 2.431 2.356 2.496 . 0 0 "[ . 1]" 1
943 1 67 PHE QD 1 68 SER H . . 4.270 4.196 4.157 4.253 . 0 0 "[ . 1]" 1
944 1 63 VAL H 1 65 ARG H . . 4.950 4.502 4.014 4.672 . 0 0 "[ . 1]" 1
945 1 6 PHE QE 1 96 PHE H . . 4.870 3.994 3.714 4.448 . 0 0 "[ . 1]" 1
946 1 94 VAL H 1 96 PHE H . . 4.660 4.018 3.912 4.122 . 0 0 "[ . 1]" 1
947 1 96 PHE H 1 98 LEU H . . 5.180 4.284 4.231 4.375 . 0 0 "[ . 1]" 1
948 1 86 THR H 1 87 TYR QD . . 5.190 5.023 4.864 5.205 0.015 9 0 "[ . 1]" 1
949 1 91 PHE QD 1 92 ASP H . . 3.660 3.047 2.873 3.232 . 0 0 "[ . 1]" 1
950 1 8 HIS HA 1 115 LEU H . . 5.290 4.480 4.295 4.567 . 0 0 "[ . 1]" 1
951 1 8 HIS HA 1 117 TYR H . . 4.320 3.408 3.311 3.535 . 0 0 "[ . 1]" 1
952 1 10 LEU HA 1 115 LEU H . . 4.550 4.321 4.219 4.442 . 0 0 "[ . 1]" 1
953 1 114 HIS HB2 1 115 LEU H . . 4.150 2.594 2.504 2.732 . 0 0 "[ . 1]" 1
954 1 114 HIS HB3 1 115 LEU H . . 4.200 3.814 3.755 3.912 . 0 0 "[ . 1]" 1
955 1 67 PHE HB2 1 68 SER H . . 4.200 2.420 2.402 2.444 . 0 0 "[ . 1]" 1
956 1 67 PHE HB3 1 68 SER H . . 4.230 3.134 3.049 3.213 . 0 0 "[ . 1]" 1
957 1 109 THR HG1 1 112 GLY H . . 4.540 3.894 3.561 4.229 . 0 0 "[ . 1]" 1
958 1 82 VAL MG2 1 96 PHE HZ . . 2.860 2.415 1.945 2.817 . 0 0 "[ . 1]" 1
959 1 111 LEU MD1 1 112 GLY H . . 3.270 2.667 2.411 3.254 . 0 0 "[ . 1]" 1
960 1 10 LEU H 1 70 CYS HB2 . . 4.800 3.966 3.859 4.264 . 0 0 "[ . 1]" 1
961 1 10 LEU H 1 114 HIS HA . . 5.160 5.167 5.141 5.218 0.058 2 0 "[ . 1]" 1
962 1 66 ASP H 1 67 PHE QD . . 3.990 3.447 3.338 3.603 . 0 0 "[ . 1]" 1
963 1 60 PHE H 1 60 PHE QD . . 4.430 4.207 4.186 4.218 . 0 0 "[ . 1]" 1
964 1 60 PHE H 1 63 VAL H . . 4.970 4.917 4.837 4.954 . 0 0 "[ . 1]" 1
965 1 55 TRP HZ3 1 60 PHE H . . 4.820 4.171 3.963 4.315 . 0 0 "[ . 1]" 1
966 1 74 LYS H 1 75 ARG HA . . 5.310 5.024 5.018 5.060 . 0 0 "[ . 1]" 1
967 1 57 LEU HA 1 60 PHE H . . 3.760 3.464 3.393 3.499 . 0 0 "[ . 1]" 1
968 1 65 ARG HA 1 67 PHE H . . 4.180 4.018 3.919 4.093 . 0 0 "[ . 1]" 1
969 1 60 PHE H 1 61 VAL HA . . 5.170 5.114 5.046 5.327 0.157 7 0 "[ . 1]" 1
970 1 64 VAL HA 1 67 PHE H . . 4.210 3.534 3.406 3.666 . 0 0 "[ . 1]" 1
971 1 59 GLU HB3 1 60 PHE H . . 3.610 2.735 2.556 2.850 . 0 0 "[ . 1]" 1
972 1 59 GLU HG3 1 60 PHE H . . 4.340 3.975 3.802 4.065 . 0 0 "[ . 1]" 1
973 1 59 GLU HB2 1 60 PHE H . . 4.180 3.927 3.786 3.997 . 0 0 "[ . 1]" 1
974 1 63 VAL MG2 1 67 PHE H . . 4.350 4.395 4.368 4.432 0.082 4 0 "[ . 1]" 1
975 1 60 PHE H 1 63 VAL MG1 . . 4.420 4.497 4.468 4.577 0.157 6 0 "[ . 1]" 1
976 1 8 HIS HE1 1 91 PHE QE . . 5.130 4.609 4.427 4.871 . 0 0 "[ . 1]" 1
977 1 23 ALA MB 1 26 ASN HD21 . . 4.580 4.139 3.951 4.303 . 0 0 "[ . 1]" 1
978 1 5 HIS HE1 1 119 VAL HB . . 4.770 3.742 3.396 4.808 0.038 7 0 "[ . 1]" 1
979 1 53 LYS H 1 54 THR HA . . 5.500 5.333 5.002 5.504 0.004 8 0 "[ . 1]" 1
980 1 57 LEU MD1 1 60 PHE H . . 5.190 4.569 4.470 4.781 . 0 0 "[ . 1]" 1
981 1 61 VAL HA 1 65 ARG H . . 4.510 4.232 4.183 4.258 . 0 0 "[ . 1]" 1
982 1 12 LYS H 1 69 GLU H . . 5.500 5.526 5.440 5.588 0.088 2 0 "[ . 1]" 1
983 1 7 TYR H 1 117 TYR QE . . 5.500 5.517 5.473 5.555 0.055 10 0 "[ . 1]" 1
984 1 7 TYR H 1 117 TYR HA . . 5.020 4.735 4.662 4.829 . 0 0 "[ . 1]" 1
985 1 9 VAL HA 1 69 GLU H . . 4.860 4.864 4.795 4.924 0.064 2 0 "[ . 1]" 1
986 1 13 HIS HD2 1 15 ASP H . . 5.150 2.337 2.111 2.492 . 0 0 "[ . 1]" 1
987 1 5 HIS HE1 1 57 LEU MD2 . . 5.330 4.468 4.208 5.314 . 0 0 "[ . 1]" 1
988 1 6 PHE H 1 6 PHE QE . . 4.300 3.901 3.816 3.952 . 0 0 "[ . 1]" 1
989 1 5 HIS HA 1 6 PHE QE . . 5.010 4.727 4.594 4.824 . 0 0 "[ . 1]" 1
990 1 76 ASP HA 1 78 ASP H . . 4.620 4.341 4.239 4.621 0.001 4 0 "[ . 1]" 1
991 1 43 GLN HA 1 43 GLN HE22 . . 4.130 3.483 3.417 3.560 . 0 0 "[ . 1]" 1
992 1 7 TYR HB3 1 78 ASP H . . 5.500 5.492 5.267 5.552 0.052 10 0 "[ . 1]" 1
993 1 43 GLN HB3 1 43 GLN HE22 . . 4.670 4.155 4.104 4.215 . 0 0 "[ . 1]" 1
994 1 45 ILE HG12 1 48 GLN HE21 . . 4.390 3.231 2.852 3.331 . 0 0 "[ . 1]" 1
995 1 48 GLN HE21 1 63 VAL MG1 . . 4.590 3.202 3.053 3.421 . 0 0 "[ . 1]" 1
996 1 4 ARG HB3 1 6 PHE QE . . 3.640 2.499 2.363 2.893 . 0 0 "[ . 1]" 1
997 1 79 LEU MD2 1 80 GLY H . . 4.500 3.906 3.658 4.048 . 0 0 "[ . 1]" 1
998 1 79 LEU MD1 1 80 GLY H . . 4.650 4.610 4.367 4.671 0.021 10 0 "[ . 1]" 1
999 1 116 ILE HG13 1 117 TYR H . . 5.200 5.069 5.050 5.107 . 0 0 "[ . 1]" 1
1000 1 79 LEU MD1 1 117 TYR H . . 4.830 4.071 4.002 4.152 . 0 0 "[ . 1]" 1
1001 1 116 ILE MG 1 117 TYR H . . 3.550 1.954 1.885 2.047 . 0 0 "[ . 1]" 1
1002 1 104 SER H 1 116 ILE HB . . 4.290 3.255 3.222 3.377 . 0 0 "[ . 1]" 1
1003 1 104 SER H 1 116 ILE MG . . 4.660 4.534 4.477 4.714 0.054 10 0 "[ . 1]" 1
1004 1 91 PHE HB3 1 93 THR H . . 4.890 4.411 4.309 4.664 . 0 0 "[ . 1]" 1
1005 1 8 HIS HB2 1 117 TYR H . . 4.920 4.503 4.344 4.669 . 0 0 "[ . 1]" 1
1006 1 6 PHE QD 1 117 TYR H . . 5.460 4.842 4.773 4.945 . 0 0 "[ . 1]" 1
1007 1 60 PHE HZ 1 117 TYR H . . 5.500 4.796 4.629 4.927 . 0 0 "[ . 1]" 1
1008 1 86 THR H 1 87 TYR HB2 . . 5.010 4.234 4.183 4.336 . 0 0 "[ . 1]" 1
1009 1 92 ASP H 1 93 THR HA . . 5.380 5.210 5.152 5.253 . 0 0 "[ . 1]" 1
1010 1 91 PHE H 1 92 ASP H . . 3.580 2.585 2.496 2.651 . 0 0 "[ . 1]" 1
1011 1 89 GLU H 1 92 ASP H . . 5.500 5.487 5.379 5.588 0.088 3 0 "[ . 1]" 1
1012 1 42 ALA MB 1 46 LEU H . . 4.720 4.739 4.670 4.785 0.065 5 0 "[ . 1]" 1
1013 1 88 THR HG1 1 91 PHE H . . 4.020 3.842 3.507 3.935 . 0 0 "[ . 1]" 1
1014 1 82 VAL HA 1 96 PHE HZ . . 4.700 4.259 4.046 4.546 . 0 0 "[ . 1]" 1
1015 1 91 PHE QE 1 92 ASP H . . 5.500 5.339 5.181 5.506 0.006 4 0 "[ . 1]" 1
1016 1 4 ARG H 1 96 PHE QD . . 5.500 4.783 4.584 4.955 . 0 0 "[ . 1]" 1
1017 1 92 ASP H 1 96 PHE QD . . 5.500 5.022 4.844 5.108 . 0 0 "[ . 1]" 1
1018 1 92 ASP H 1 94 VAL H . . 5.170 4.417 4.243 4.536 . 0 0 "[ . 1]" 1
1019 1 89 GLU HA 1 92 ASP H . . 4.390 4.263 4.085 4.345 . 0 0 "[ . 1]" 1
1020 1 91 PHE HB3 1 92 ASP H . . 3.650 2.090 2.022 2.225 . 0 0 "[ . 1]" 1
1021 1 87 TYR HB2 1 92 ASP H . . 3.950 3.446 3.301 3.746 . 0 0 "[ . 1]" 1
1022 1 91 PHE HB2 1 92 ASP H . . 4.280 3.520 3.479 3.603 . 0 0 "[ . 1]" 1
1023 1 87 TYR HB3 1 92 ASP H . . 4.630 2.689 2.472 3.306 . 0 0 "[ . 1]" 1
1024 1 16 VAL MG2 1 17 ARG H . . 4.460 2.881 2.732 3.079 . 0 0 "[ . 1]" 1
1025 1 92 ASP H 1 116 ILE MD . . 5.440 4.618 4.328 4.747 . 0 0 "[ . 1]" 1
1026 1 93 THR HB 1 94 VAL H . . 3.390 2.592 2.512 2.739 . 0 0 "[ . 1]" 1
1027 1 6 PHE QE 1 96 PHE HA . . 4.120 2.395 2.102 2.893 . 0 0 "[ . 1]" 1
1028 1 62 GLN HA 1 62 GLN HE22 . . 4.220 3.782 3.303 4.180 . 0 0 "[ . 1]" 1
1029 1 92 ASP HA 1 94 VAL H . . 5.020 4.414 4.215 4.494 . 0 0 "[ . 1]" 1
1030 1 15 ASP HB2 1 16 VAL H . . 4.790 4.213 4.092 4.385 . 0 0 "[ . 1]" 1
1031 1 95 ALA HA 1 98 LEU H . . 5.070 4.142 3.982 4.246 . 0 0 "[ . 1]" 1
1032 1 91 PHE HB3 1 94 VAL H . . 5.500 5.530 5.517 5.567 0.067 3 0 "[ . 1]" 1
1033 1 96 PHE HB3 1 98 LEU H . . 5.500 5.211 5.029 5.312 . 0 0 "[ . 1]" 1
1034 1 55 TRP HZ3 1 59 GLU HG2 . . 4.710 2.585 2.318 3.220 . 0 0 "[ . 1]" 1
1035 1 93 THR HG1 1 94 VAL H . . 4.050 3.970 3.875 4.097 0.047 3 0 "[ . 1]" 1
1036 1 94 VAL H 1 95 ALA MB . . 4.290 4.022 3.987 4.071 . 0 0 "[ . 1]" 1
1037 1 6 PHE QE 1 95 ALA MB . . 3.310 2.949 2.777 3.181 . 0 0 "[ . 1]" 1
1038 1 6 PHE QE 1 79 LEU MD1 . . 4.240 2.467 2.404 2.652 . 0 0 "[ . 1]" 1
1039 1 45 ILE MG 1 48 GLN HE21 . . 3.370 3.409 3.329 3.466 0.096 10 0 "[ . 1]" 1
1040 1 57 LEU MD2 1 60 PHE QD . . 4.870 3.736 3.574 3.839 . 0 0 "[ . 1]" 1
1041 1 45 ILE MG 1 60 PHE QD . . 4.630 2.467 2.371 2.542 . 0 0 "[ . 1]" 1
1042 1 60 PHE QD 1 63 VAL MG1 . . 4.140 3.827 3.636 4.145 0.005 7 0 "[ . 1]" 1
1043 1 60 PHE QD 1 63 VAL MG2 . . 4.220 2.628 2.469 2.806 . 0 0 "[ . 1]" 1
1044 1 92 ASP HA 1 95 ALA H . . 4.720 3.746 3.480 3.929 . 0 0 "[ . 1]" 1
1045 1 99 LYS H 1 99 LYS HB2 . . 4.100 2.566 2.295 3.667 . 0 0 "[ . 1]" 1
1046 1 8 HIS HE1 1 10 LEU HB2 . . 3.520 2.189 2.058 2.355 . 0 0 "[ . 1]" 1
1047 1 104 SER H 1 115 LEU HA . . 5.340 5.254 5.036 5.342 0.002 9 0 "[ . 1]" 1
1048 1 103 VAL HB 1 104 SER H . . 4.610 4.072 4.056 4.102 . 0 0 "[ . 1]" 1
1049 1 63 VAL MG1 1 67 PHE QD . . 4.810 4.340 4.246 4.467 . 0 0 "[ . 1]" 1
1050 1 63 VAL MG1 1 67 PHE QE . . 5.040 3.905 3.814 4.022 . 0 0 "[ . 1]" 1
1051 1 45 ILE HB 1 67 PHE QD . . 5.500 5.152 5.035 5.275 . 0 0 "[ . 1]" 1
1052 1 45 ILE HB 1 67 PHE QE . . 5.500 5.248 5.050 5.519 0.019 6 0 "[ . 1]" 1
1053 1 107 VAL HB 1 114 HIS HD2 . . 3.550 2.110 1.995 2.211 . 0 0 "[ . 1]" 1
1054 1 113 VAL HB 1 114 HIS HD2 . . 4.720 4.653 4.622 4.676 . 0 0 "[ . 1]" 1
1055 1 7 TYR QD 1 60 PHE HB3 . . 4.190 3.604 3.543 3.716 . 0 0 "[ . 1]" 1
1056 1 7 TYR QD 1 79 LEU HB2 . . 4.340 4.165 4.069 4.326 . 0 0 "[ . 1]" 1
1057 1 43 GLN HB2 1 43 GLN HE21 . . 4.440 4.183 4.154 4.214 . 0 0 "[ . 1]" 1
1058 1 43 GLN HE21 1 43 GLN HG2 . . 3.360 2.227 2.212 2.248 . 0 0 "[ . 1]" 1
1059 1 91 PHE HB2 1 114 HIS HD2 . . 5.500 5.553 5.529 5.581 0.081 9 0 "[ . 1]" 1
1060 1 64 VAL HA 1 67 PHE QD . . 5.300 4.747 4.578 4.853 . 0 0 "[ . 1]" 1
1061 1 45 ILE HA 1 67 PHE QE . . 5.500 4.731 4.605 4.980 . 0 0 "[ . 1]" 1
1062 1 104 SER HB2 1 105 ALA H . . 3.450 2.324 2.178 2.918 . 0 0 "[ . 1]" 1
1063 1 113 VAL HA 1 114 HIS HD2 . . 3.400 3.420 3.385 3.464 0.064 7 0 "[ . 1]" 1
1064 1 67 PHE HA 1 67 PHE QD . . 3.680 3.017 2.963 3.047 . 0 0 "[ . 1]" 1
1065 1 114 HIS HA 1 114 HIS HD2 . . 4.190 3.902 3.900 3.908 . 0 0 "[ . 1]" 1
1066 1 91 PHE QD 1 114 HIS HD2 . . 4.280 3.802 3.663 3.902 . 0 0 "[ . 1]" 1
1067 1 63 VAL MG2 1 66 ASP H . . 5.010 4.492 4.462 4.518 . 0 0 "[ . 1]" 1
1068 1 4 ARG HB2 1 96 PHE HZ . . 5.360 4.479 4.132 4.853 . 0 0 "[ . 1]" 1
1069 1 7 TYR HB3 1 79 LEU H . . 5.500 4.072 3.872 4.408 . 0 0 "[ . 1]" 1
1070 1 107 VAL MG1 1 114 HIS H . . 5.330 4.022 3.920 4.101 . 0 0 "[ . 1]" 1
1071 1 113 VAL MG2 1 114 HIS H . . 5.500 3.794 3.661 3.880 . 0 0 "[ . 1]" 1
1072 1 113 VAL MG1 1 114 HIS H . . 5.500 3.741 3.623 3.880 . 0 0 "[ . 1]" 1
1073 1 107 VAL HB 1 114 HIS H . . 5.420 3.428 3.322 3.507 . 0 0 "[ . 1]" 1
1074 1 7 TYR HA 1 117 TYR H . . 5.260 4.663 4.614 4.721 . 0 0 "[ . 1]" 1
1075 1 6 PHE HB3 1 117 TYR H . . 5.500 4.479 4.259 4.615 . 0 0 "[ . 1]" 1
1076 1 7 TYR QD 1 57 LEU HA . . 5.500 4.889 4.827 4.997 . 0 0 "[ . 1]" 1
1077 1 91 PHE QD 1 116 ILE MD . . 3.480 2.705 2.562 2.797 . 0 0 "[ . 1]" 1
1078 1 91 PHE QD 1 95 ALA MB . . 3.320 2.830 2.791 2.876 . 0 0 "[ . 1]" 1
1079 1 79 LEU MD2 1 91 PHE QD . . 5.500 5.456 5.310 5.514 0.014 6 0 "[ . 1]" 1
1080 1 79 LEU MD1 1 91 PHE QD . . 5.220 4.376 4.244 4.445 . 0 0 "[ . 1]" 1
1081 1 91 PHE QD 1 116 ILE HG13 . . 4.580 4.338 4.201 4.547 . 0 0 "[ . 1]" 1
1082 1 91 PHE QD 1 107 VAL MG1 . . 3.490 2.875 2.652 3.111 . 0 0 "[ . 1]" 1
1083 1 91 PHE QD 1 107 VAL MG2 . . 4.220 3.318 2.982 3.521 . 0 0 "[ . 1]" 1
1084 1 88 THR HG1 1 91 PHE QD . . 4.720 4.383 4.226 4.649 . 0 0 "[ . 1]" 1
1085 1 91 PHE QD 1 116 ILE HG12 . . 4.230 3.735 3.637 3.821 . 0 0 "[ . 1]" 1
1086 1 82 VAL MG2 1 91 PHE QD . . 5.070 4.966 4.793 5.086 0.016 10 0 "[ . 1]" 1
1087 1 91 PHE QD 1 107 VAL HB . . 4.820 3.465 3.293 3.656 . 0 0 "[ . 1]" 1
1088 1 91 PHE QD 1 94 VAL HB . . 5.500 5.525 5.474 5.556 0.056 10 0 "[ . 1]" 1
1089 1 87 TYR HB3 1 91 PHE QD . . 3.710 2.954 2.801 3.260 . 0 0 "[ . 1]" 1
1090 1 91 PHE QD 1 92 ASP HA . . 3.410 2.818 2.658 2.980 . 0 0 "[ . 1]" 1
1091 1 87 TYR HA 1 91 PHE QD . . 5.500 5.184 4.962 5.520 0.020 3 0 "[ . 1]" 1
1092 1 87 TYR HA 1 87 TYR QD . . 3.190 2.984 2.928 3.008 . 0 0 "[ . 1]" 1
1093 1 91 PHE HA 1 91 PHE QD . . 3.330 3.099 3.048 3.130 . 0 0 "[ . 1]" 1
1094 1 91 PHE QD 1 95 ALA HA . . 5.500 5.525 5.497 5.570 0.070 3 0 "[ . 1]" 1
1095 1 91 PHE QD 1 114 HIS HB2 . . 5.450 5.206 4.957 5.463 0.013 4 0 "[ . 1]" 1
1096 1 86 THR HG1 1 87 TYR QD . . 3.480 2.548 2.399 2.756 . 0 0 "[ . 1]" 1
1097 1 26 ASN HD22 1 31 ILE MD . . 4.540 3.083 2.861 3.358 . 0 0 "[ . 1]" 1
1098 1 79 LEU MD1 1 87 TYR QD . . 4.930 4.454 3.986 4.734 . 0 0 "[ . 1]" 1
1099 1 79 LEU MD2 1 87 TYR QD . . 5.500 4.883 4.668 5.077 . 0 0 "[ . 1]" 1
1100 1 87 TYR QD 1 88 THR HG1 . . 3.960 2.845 2.638 3.201 . 0 0 "[ . 1]" 1
1101 1 26 ASN HD22 1 31 ILE HG12 . . 5.500 5.433 5.168 5.513 0.013 4 0 "[ . 1]" 1
1102 1 82 VAL MG1 1 87 TYR QD . . 3.380 3.181 2.806 3.400 0.020 9 0 "[ . 1]" 1
1103 1 26 ASN HD22 1 29 GLU HB3 . . 4.080 2.694 2.484 3.602 . 0 0 "[ . 1]" 1
1104 1 26 ASN HD22 1 29 GLU HB2 . . 4.090 3.947 3.706 4.318 0.228 5 0 "[ . 1]" 1
1105 1 87 TYR QD 1 91 PHE HB3 . . 4.370 2.703 2.405 3.431 . 0 0 "[ . 1]" 1
1106 1 86 THR HB 1 87 TYR QD . . 3.840 3.842 3.827 3.853 0.013 4 0 "[ . 1]" 1
1107 1 26 ASN HA 1 26 ASN HD22 . . 4.640 4.449 4.350 5.144 0.504 5 1 "[ + 1]" 1
1108 1 117 TYR HA 1 117 TYR QD . . 3.890 3.154 3.145 3.169 . 0 0 "[ . 1]" 1
1109 1 60 PHE HA 1 117 TYR QD . . 5.500 5.272 5.182 5.390 . 0 0 "[ . 1]" 1
1110 1 13 HIS HD2 1 16 VAL HA . . 4.670 3.920 3.730 4.167 . 0 0 "[ . 1]" 1
1111 1 87 TYR HA 1 87 TYR QE . . 5.150 4.440 4.423 4.452 . 0 0 "[ . 1]" 1
1112 1 117 TYR QD 1 119 VAL HA . . 3.670 3.392 3.130 3.728 0.058 7 0 "[ . 1]" 1
1113 1 13 HIS HD2 1 35 ARG HA . . 3.830 3.591 3.380 3.759 . 0 0 "[ . 1]" 1
1114 1 55 TRP HB3 1 117 TYR QD . . 4.310 3.923 3.888 3.952 . 0 0 "[ . 1]" 1
1115 1 13 HIS HD2 1 15 ASP HB2 . . 3.540 2.343 2.087 2.626 . 0 0 "[ . 1]" 1
1116 1 91 PHE HA 1 91 PHE QE . . 4.860 4.643 4.616 4.674 . 0 0 "[ . 1]" 1
1117 1 91 PHE QE 1 92 ASP HA . . 4.790 4.511 4.290 4.728 . 0 0 "[ . 1]" 1
1118 1 57 LEU HA 1 117 TYR QE . . 3.980 2.678 2.516 2.808 . 0 0 "[ . 1]" 1
1119 1 117 TYR QE 1 119 VAL HA . . 3.860 2.526 2.376 2.759 . 0 0 "[ . 1]" 1
1120 1 6 PHE HZ 1 96 PHE HA . . 4.290 4.017 3.733 4.209 . 0 0 "[ . 1]" 1
1121 1 114 HIS HA 1 115 LEU HA . . 4.570 4.407 4.395 4.423 . 0 0 "[ . 1]" 1
1122 1 10 LEU HA 1 114 HIS HA . . 3.710 3.152 3.112 3.196 . 0 0 "[ . 1]" 1
1123 1 55 TRP HB3 1 117 TYR QE . . 4.350 1.962 1.938 1.987 . 0 0 "[ . 1]" 1
1124 1 55 TRP HB2 1 117 TYR QE . . 4.140 3.630 3.600 3.675 . 0 0 "[ . 1]" 1
1125 1 87 TYR QE 1 91 PHE HB2 . . 5.410 4.698 4.364 5.304 . 0 0 "[ . 1]" 1
1126 1 87 TYR HB2 1 91 PHE QE . . 4.890 4.467 4.262 4.725 . 0 0 "[ . 1]" 1
1127 1 7 TYR QE 1 78 ASP HB3 . . 4.370 3.508 2.217 4.405 0.035 6 0 "[ . 1]" 1
1128 1 60 PHE HB2 1 117 TYR QE . . 4.370 3.149 2.994 3.253 . 0 0 "[ . 1]" 1
1129 1 82 VAL HB 1 87 TYR QE . . 4.880 4.856 4.753 4.893 0.013 3 0 "[ . 1]" 1
1130 1 87 TYR HB3 1 91 PHE QE . . 5.120 4.756 4.632 4.918 . 0 0 "[ . 1]" 1
1131 1 13 HIS HD2 1 16 VAL HB . . 5.500 5.198 5.077 5.316 . 0 0 "[ . 1]" 1
1132 1 60 PHE HB2 1 117 TYR QD . . 4.210 3.311 3.208 3.388 . 0 0 "[ . 1]" 1
1133 1 60 PHE HB3 1 117 TYR QD . . 4.110 3.822 3.798 3.857 . 0 0 "[ . 1]" 1
1134 1 60 PHE HB3 1 117 TYR QE . . 4.230 3.922 3.784 3.982 . 0 0 "[ . 1]" 1
1135 1 7 TYR QE 1 61 VAL MG1 . . 3.270 3.092 2.643 3.259 . 0 0 "[ . 1]" 1
1136 1 103 VAL HB 1 117 TYR QD . . 4.570 4.647 4.634 4.667 0.097 3 0 "[ . 1]" 1
1137 1 7 TYR QE 1 61 VAL MG2 . . 3.270 2.128 1.840 3.258 . 0 0 "[ . 1]" 1
1138 1 7 TYR QE 1 57 LEU MD1 . . 3.360 2.834 2.773 2.938 . 0 0 "[ . 1]" 1
1139 1 13 HIS HD2 1 35 ARG HB3 . . 3.500 3.290 2.917 3.516 0.016 1 0 "[ . 1]" 1
1140 1 13 HIS HD2 1 16 VAL MG2 . . 4.790 4.424 4.204 4.647 . 0 0 "[ . 1]" 1
1141 1 82 VAL MG1 1 87 TYR QE . . 3.130 3.076 2.916 3.141 0.011 9 0 "[ . 1]" 1
1142 1 91 PHE QE 1 116 ILE HG12 . . 3.400 2.604 2.494 2.876 . 0 0 "[ . 1]" 1
1143 1 7 TYR QE 1 57 LEU MD2 . . 2.790 1.917 1.889 1.950 . 0 0 "[ . 1]" 1
1144 1 103 VAL MG2 1 117 TYR QD . . 4.450 1.877 1.870 1.886 . 0 0 "[ . 1]" 1
1145 1 79 LEU MD1 1 87 TYR QE . . 3.990 3.485 2.733 3.837 . 0 0 "[ . 1]" 1
1146 1 79 LEU MD2 1 87 TYR QE . . 3.570 3.135 2.744 3.336 . 0 0 "[ . 1]" 1
1147 1 13 HIS HD2 1 16 VAL MG1 . . 3.500 2.602 2.565 2.655 . 0 0 "[ . 1]" 1
1148 1 91 PHE QE 1 116 ILE MD . . 3.460 2.754 2.639 2.824 . 0 0 "[ . 1]" 1
1149 1 91 PHE HZ 1 116 ILE MD . . 3.870 3.255 3.137 3.476 . 0 0 "[ . 1]" 1
1150 1 91 PHE QE 1 116 ILE HG13 . . 4.260 3.863 3.739 4.074 . 0 0 "[ . 1]" 1
1151 1 79 LEU MD2 1 91 PHE QE . . 4.010 3.839 3.714 3.941 . 0 0 "[ . 1]" 1
1152 1 91 PHE QE 1 95 ALA MB . . 3.600 2.903 2.801 3.042 . 0 0 "[ . 1]" 1
1153 1 91 PHE QE 1 116 ILE MG . . 3.750 2.950 2.617 3.163 . 0 0 "[ . 1]" 1
1154 1 8 HIS HA 1 79 LEU MD2 . . 4.630 4.613 4.455 4.662 0.032 6 0 "[ . 1]" 1
1155 1 8 HIS HA 1 116 ILE MG . . 4.430 3.545 3.455 3.614 . 0 0 "[ . 1]" 1
1156 1 79 LEU MD2 1 91 PHE HZ . . 3.260 3.085 2.996 3.205 . 0 0 "[ . 1]" 1
1157 1 91 PHE HZ 1 116 ILE MG . . 3.540 2.691 2.256 2.964 . 0 0 "[ . 1]" 1
1158 1 57 LEU MD2 1 117 TYR QE . . 3.350 2.015 1.967 2.160 . 0 0 "[ . 1]" 1
1159 1 57 LEU MD1 1 117 TYR QE . . 4.940 4.602 4.542 4.634 . 0 0 "[ . 1]" 1
1160 1 79 LEU MD1 1 91 PHE HZ . . 4.450 2.048 1.962 2.154 . 0 0 "[ . 1]" 1
1161 1 91 PHE QE 1 107 VAL MG2 . . 5.050 4.475 4.198 4.671 . 0 0 "[ . 1]" 1
1162 1 79 LEU HB3 1 91 PHE HZ . . 5.460 5.407 5.266 5.471 0.011 6 0 "[ . 1]" 1
1163 1 8 HIS HA 1 79 LEU MD1 . . 4.640 4.090 4.011 4.178 . 0 0 "[ . 1]" 1
1164 1 8 HIS HA 1 116 ILE HG13 . . 5.500 5.236 5.140 5.389 . 0 0 "[ . 1]" 1
1165 1 7 TYR HA 1 79 LEU HB2 . . 4.280 3.687 3.601 3.873 . 0 0 "[ . 1]" 1
1166 1 20 SER HA 1 30 LYS HB3 . . 4.770 4.484 3.920 4.778 0.008 5 0 "[ . 1]" 1
1167 1 20 SER HA 1 31 ILE HB . . 4.570 4.226 3.936 4.422 . 0 0 "[ . 1]" 1
1168 1 7 TYR HA 1 79 LEU HG . . 3.820 2.235 2.047 2.456 . 0 0 "[ . 1]" 1
1169 1 114 HIS HA 1 115 LEU HG . . 4.230 3.553 3.177 4.225 . 0 0 "[ . 1]" 1
1170 1 20 SER HA 1 31 ILE HG12 . . 4.190 2.476 1.997 2.661 . 0 0 "[ . 1]" 1
1171 1 4 ARG HB2 1 6 PHE HZ . . 3.940 2.807 2.616 2.961 . 0 0 "[ . 1]" 1
1172 1 20 SER HA 1 31 ILE HG13 . . 4.490 3.948 3.429 4.158 . 0 0 "[ . 1]" 1
1173 1 4 ARG HB3 1 5 HIS HA . . 4.880 4.350 4.186 4.702 . 0 0 "[ . 1]" 1
1174 1 108 GLU HA 1 113 VAL MG1 . . 5.260 2.032 1.932 2.157 . 0 0 "[ . 1]" 1
1175 1 4 ARG HB3 1 6 PHE HZ . . 4.130 3.879 3.698 4.088 . 0 0 "[ . 1]" 1
1176 1 108 GLU HA 1 113 VAL MG2 . . 5.260 4.404 4.279 4.620 . 0 0 "[ . 1]" 1
1177 1 20 SER HA 1 31 ILE MD . . 4.030 3.666 3.248 3.948 . 0 0 "[ . 1]" 1
1178 1 7 TYR HA 1 79 LEU MD1 . . 4.080 3.179 3.064 3.403 . 0 0 "[ . 1]" 1
1179 1 7 TYR HA 1 79 LEU MD2 . . 4.000 3.768 3.507 3.942 . 0 0 "[ . 1]" 1
1180 1 6 PHE HZ 1 95 ALA MB . . 3.560 2.899 2.792 3.093 . 0 0 "[ . 1]" 1
1181 1 3 GLU HA 1 82 VAL MG2 . . 5.270 4.166 4.068 4.285 . 0 0 "[ . 1]" 1
1182 1 57 LEU HB3 1 117 TYR QE . . 4.690 4.535 4.343 4.701 0.011 4 0 "[ . 1]" 1
1183 1 6 PHE HZ 1 82 VAL HB . . 4.770 4.560 4.386 4.818 0.048 9 0 "[ . 1]" 1
1184 1 107 VAL HB 1 114 HIS HA . . 5.500 5.459 5.313 5.530 0.030 8 0 "[ . 1]" 1
1185 1 4 ARG HD2 1 6 PHE HZ . . 5.500 5.246 4.510 5.645 0.145 9 0 "[ . 1]" 1
1186 1 7 TYR HA 1 78 ASP HA . . 3.580 2.729 2.611 2.810 . 0 0 "[ . 1]" 1
1187 1 4 ARG HD3 1 6 PHE HZ . . 5.500 4.819 4.007 5.666 0.166 9 0 "[ . 1]" 1
1188 1 6 PHE HZ 1 96 PHE HB2 . . 5.500 5.352 5.176 5.492 . 0 0 "[ . 1]" 1
1189 1 20 SER HA 1 30 LYS HA . . 3.790 2.489 2.000 2.742 . 0 0 "[ . 1]" 1
1190 1 91 PHE HZ 1 116 ILE HA . . 4.790 4.108 3.922 4.264 . 0 0 "[ . 1]" 1
1191 1 6 PHE HZ 1 96 PHE HB3 . . 5.500 5.482 5.270 5.559 0.059 3 0 "[ . 1]" 1
1192 1 23 ALA HA 1 24 PRO HD3 . . 3.790 2.356 2.343 2.365 . 0 0 "[ . 1]" 1
1193 1 9 VAL HA 1 68 SER HA . . 3.890 3.308 3.188 3.589 . 0 0 "[ . 1]" 1
1194 1 40 ASN HA 1 43 GLN HB2 . . 3.470 2.444 2.239 2.547 . 0 0 "[ . 1]" 1
1195 1 88 THR HA 1 88 THR HG1 . . 3.640 3.505 3.454 3.532 . 0 0 "[ . 1]" 1
1196 1 36 ALA MB 1 37 ASP HA . . 4.790 3.843 3.757 3.926 . 0 0 "[ . 1]" 1
1197 1 79 LEU HA 1 79 LEU MD1 . . 4.100 3.963 3.937 3.983 . 0 0 "[ . 1]" 1
1198 1 16 VAL HA 1 16 VAL MG1 . . 3.620 2.347 2.304 2.447 . 0 0 "[ . 1]" 1
1199 1 58 ASP HA 1 61 VAL MG1 . . 4.210 3.638 1.954 4.101 . 0 0 "[ . 1]" 1
1200 1 12 LYS HA 1 16 VAL MG1 . . 4.090 3.127 3.028 3.219 . 0 0 "[ . 1]" 1
1201 1 16 VAL MG1 1 19 PRO HA . . 4.780 4.046 3.988 4.086 . 0 0 "[ . 1]" 1
1202 1 16 VAL MG2 1 19 PRO HA . . 3.250 2.151 2.078 2.188 . 0 0 "[ . 1]" 1
1203 1 58 ASP HA 1 61 VAL MG2 . . 4.210 2.513 1.953 4.089 . 0 0 "[ . 1]" 1
1204 1 63 VAL HA 1 66 ASP HB3 . . 3.560 2.333 2.022 3.136 . 0 0 "[ . 1]" 1
1205 1 23 ALA HA 1 24 PRO HD2 . . 3.790 2.526 2.500 2.542 . 0 0 "[ . 1]" 1
1206 1 89 GLU HA 1 89 GLU HG3 . . 3.690 2.631 2.278 3.558 . 0 0 "[ . 1]" 1
1207 1 14 LYS HA 1 19 PRO HB2 . . 3.830 2.442 2.367 2.548 . 0 0 "[ . 1]" 1
1208 1 43 GLN HA 1 43 GLN HG3 . . 4.010 3.786 3.760 3.808 . 0 0 "[ . 1]" 1
1209 1 56 SER HB3 1 59 GLU HB3 . . 3.700 2.180 2.048 2.263 . 0 0 "[ . 1]" 1
1210 1 48 GLN HA 1 48 GLN HG2 . . 3.960 2.619 2.331 2.742 . 0 0 "[ . 1]" 1
1211 1 59 GLU HG3 1 60 PHE HA . . 4.280 3.866 3.717 4.017 . 0 0 "[ . 1]" 1
1212 1 89 GLU HA 1 89 GLU HG2 . . 3.690 2.951 2.425 3.631 . 0 0 "[ . 1]" 1
1213 1 57 LEU HA 1 60 PHE HB3 . . 3.650 3.403 3.245 3.473 . 0 0 "[ . 1]" 1
1214 1 11 VAL HB 1 38 ALA HA . . 3.450 3.163 2.814 3.516 0.066 5 0 "[ . 1]" 1
1215 1 48 GLN HA 1 48 GLN HG3 . . 3.960 2.463 2.354 3.043 . 0 0 "[ . 1]" 1
1216 1 59 GLU HA 1 59 GLU HG3 . . 3.710 2.976 2.725 3.218 . 0 0 "[ . 1]" 1
1217 1 43 GLN HA 1 43 GLN HG2 . . 3.450 2.830 2.801 2.871 . 0 0 "[ . 1]" 1
1218 1 36 ALA HA 1 39 ILE HB . . 3.590 3.590 3.473 3.657 0.067 1 0 "[ . 1]" 1
1219 1 56 SER HB3 1 59 GLU HB2 . . 3.790 2.063 2.000 2.174 . 0 0 "[ . 1]" 1
1220 1 38 ALA HA 1 41 LEU HB2 . . 3.750 2.916 2.753 3.023 . 0 0 "[ . 1]" 1
1221 1 46 LEU HB3 1 47 ALA HA . . 4.420 4.207 4.114 4.360 . 0 0 "[ . 1]" 1
1222 1 11 VAL HA 1 11 VAL MG2 . . 3.560 2.902 2.562 3.190 . 0 0 "[ . 1]" 1
1223 1 11 VAL MG2 1 38 ALA HA . . 4.170 3.774 3.182 4.249 0.079 7 0 "[ . 1]" 1
1224 1 60 PHE HA 1 63 VAL MG2 . . 3.520 2.532 2.346 2.656 . 0 0 "[ . 1]" 1
1225 1 14 LYS HA 1 16 VAL MG2 . . 3.870 3.426 3.378 3.497 . 0 0 "[ . 1]" 1
1226 1 57 LEU HA 1 57 LEU MD1 . . 3.520 3.438 3.393 3.469 . 0 0 "[ . 1]" 1
1227 1 36 ALA HA 1 39 ILE MD . . 4.110 2.528 2.275 2.835 . 0 0 "[ . 1]" 1
1228 1 98 LEU MD1 1 104 SER HA . . 3.580 3.326 2.615 3.568 . 0 0 "[ . 1]" 1
1229 1 11 VAL MG1 1 38 ALA HA . . 4.170 3.015 1.863 4.194 0.024 9 0 "[ . 1]" 1
1230 1 9 VAL MG1 1 68 SER HB2 . . 5.890 2.678 2.023 3.121 . 0 0 "[ . 1]" 1
1231 1 11 VAL HA 1 11 VAL MG1 . . 3.560 2.313 2.213 2.416 . 0 0 "[ . 1]" 1
1232 1 98 LEU MD2 1 104 SER HA . . 3.580 2.306 2.178 2.494 . 0 0 "[ . 1]" 1
1233 1 31 ILE HA 1 31 ILE MG . . 3.700 2.349 2.237 2.398 . 0 0 "[ . 1]" 1
1234 1 31 ILE HA 1 31 ILE MD . . 3.910 2.020 1.959 2.139 . 0 0 "[ . 1]" 1
1235 1 57 LEU HA 1 57 LEU MD2 . . 3.080 1.992 1.931 2.044 . 0 0 "[ . 1]" 1
1236 1 42 ALA HA 1 45 ILE MD . . 3.120 2.000 1.907 2.171 . 0 0 "[ . 1]" 1
1237 1 91 PHE HA 1 95 ALA MB . . 4.340 3.817 3.651 4.049 . 0 0 "[ . 1]" 1
1238 1 21 SER HB3 1 31 ILE MD . . 4.540 2.221 1.920 3.260 . 0 0 "[ . 1]" 1
1239 1 59 GLU HA 1 63 VAL MG1 . . 4.890 4.209 3.970 4.330 . 0 0 "[ . 1]" 1
1240 1 104 SER HA 1 116 ILE HB . . 5.110 4.841 4.609 4.977 . 0 0 "[ . 1]" 1
1241 1 104 SER HA 1 105 ALA MB . . 4.280 4.107 4.050 4.137 . 0 0 "[ . 1]" 1
1242 1 93 THR HA 1 93 THR HG1 . . 3.320 2.937 2.763 3.139 . 0 0 "[ . 1]" 1
1243 1 24 PRO HD3 1 73 ALA MB . . 3.550 2.890 1.978 3.488 . 0 0 "[ . 1]" 1
1244 1 11 VAL MG2 1 42 ALA HA . . 5.000 3.825 3.100 4.563 . 0 0 "[ . 1]" 1
1245 1 11 VAL MG1 1 42 ALA HA . . 5.000 4.058 3.484 4.767 . 0 0 "[ . 1]" 1
1246 1 21 SER HB2 1 31 ILE MD . . 4.540 2.393 2.001 3.344 . 0 0 "[ . 1]" 1
1247 1 91 PHE HA 1 116 ILE MD . . 3.760 2.317 2.010 2.537 . 0 0 "[ . 1]" 1
1248 1 42 ALA HA 1 45 ILE HG13 . . 4.380 3.737 3.507 3.988 . 0 0 "[ . 1]" 1
1249 1 79 LEU HA 1 79 LEU MD2 . . 4.640 2.456 2.381 2.505 . 0 0 "[ . 1]" 1
1250 1 14 LYS HA 1 16 VAL MG1 . . 4.800 4.376 4.341 4.435 . 0 0 "[ . 1]" 1
1251 1 16 VAL MG1 1 17 ARG HA . . 5.500 5.559 5.542 5.600 0.100 5 0 "[ . 1]" 1
1252 1 43 GLN HA 1 45 ILE MD . . 5.500 5.379 5.231 5.462 . 0 0 "[ . 1]" 1
1253 1 94 VAL HA 1 94 VAL MG2 . . 2.780 2.461 2.410 2.482 . 0 0 "[ . 1]" 1
1254 1 94 VAL HA 1 94 VAL MG1 . . 2.780 2.276 2.212 2.390 . 0 0 "[ . 1]" 1
1255 1 91 PHE HA 1 107 VAL MG2 . . 4.160 2.826 2.741 3.028 . 0 0 "[ . 1]" 1
1256 1 21 SER HB2 1 23 ALA MB . . 4.570 4.180 2.766 4.576 0.006 1 0 "[ . 1]" 1
1257 1 24 PRO HD2 1 73 ALA MB . . 3.550 2.795 2.426 3.095 . 0 0 "[ . 1]" 1
1258 1 94 VAL HB 1 104 SER HB2 . . 3.970 3.055 2.733 3.211 . 0 0 "[ . 1]" 1
1259 1 60 PHE HB3 1 61 VAL HA . . 4.350 4.119 4.086 4.207 . 0 0 "[ . 1]" 1
1260 1 61 VAL HA 1 64 VAL HB . . 3.240 2.593 2.349 3.124 . 0 0 "[ . 1]" 1
1261 1 35 ARG HA 1 38 ALA MB . . 3.230 2.721 2.581 2.800 . 0 0 "[ . 1]" 1
1262 1 16 VAL MG2 1 19 PRO HD3 . . 3.730 2.069 1.989 2.180 . 0 0 "[ . 1]" 1
1263 1 119 VAL HA 1 119 VAL MG1 . . 3.410 2.487 2.271 3.202 . 0 0 "[ . 1]" 1
1264 1 98 LEU MD1 1 104 SER HB3 . . 4.520 1.968 1.878 2.066 . 0 0 "[ . 1]" 1
1265 1 57 LEU MD2 1 119 VAL HA . . 4.030 3.037 2.587 3.545 . 0 0 "[ . 1]" 1
1266 1 104 SER HB3 1 116 ILE MG . . 4.750 4.036 3.602 4.217 . 0 0 "[ . 1]" 1
1267 1 8 HIS HB2 1 79 LEU MD2 . . 4.390 3.552 3.456 3.648 . 0 0 "[ . 1]" 1
1268 1 39 ILE HA 1 39 ILE MG . . 2.800 2.302 2.258 2.335 . 0 0 "[ . 1]" 1
1269 1 104 SER HB2 1 116 ILE MD . . 4.930 3.319 3.011 3.424 . 0 0 "[ . 1]" 1
1270 1 104 SER HB3 1 116 ILE MD . . 5.200 3.174 2.910 3.297 . 0 0 "[ . 1]" 1
1271 1 45 ILE HA 1 45 ILE HG13 . . 3.230 2.680 2.556 2.753 . 0 0 "[ . 1]" 1
1272 1 61 VAL HA 1 61 VAL MG2 . . 2.990 2.450 2.419 2.490 . 0 0 "[ . 1]" 1
1273 1 104 SER HB3 1 116 ILE HB . . 3.360 2.628 1.985 2.906 . 0 0 "[ . 1]" 1
1274 1 63 VAL MG2 1 64 VAL HA . . 3.780 3.006 2.957 3.066 . 0 0 "[ . 1]" 1
1275 1 45 ILE HA 1 45 ILE HG12 . . 3.240 2.854 2.800 2.919 . 0 0 "[ . 1]" 1
1276 1 44 ALA MB 1 45 ILE HA . . 4.090 3.882 3.792 3.922 . 0 0 "[ . 1]" 1
1277 1 13 HIS HB3 1 35 ARG HA . . 3.480 2.234 2.151 2.425 . 0 0 "[ . 1]" 1
1278 1 87 TYR HB3 1 91 PHE HB3 . . 3.710 2.224 2.043 2.335 . 0 0 "[ . 1]" 1
1279 1 24 PRO HB2 1 25 ARG HD3 . . 4.480 3.991 2.720 4.544 0.064 1 0 "[ . 1]" 1
1280 1 24 PRO HB2 1 25 ARG HD2 . . 4.480 3.685 2.956 4.462 . 0 0 "[ . 1]" 1
1281 1 119 VAL HA 1 120 GLU HG2 . . 5.500 4.600 3.809 5.452 . 0 0 "[ . 1]" 1
1282 1 119 VAL HA 1 120 GLU HG3 . . 5.500 4.655 3.908 5.496 . 0 0 "[ . 1]" 1
1283 1 45 ILE HA 1 63 VAL HB . . 4.660 4.396 4.217 4.665 0.005 7 0 "[ . 1]" 1
1284 1 17 ARG HB2 1 17 ARG HD2 . . 3.400 3.116 2.752 3.594 0.194 5 0 "[ . 1]" 1
1285 1 17 ARG HB2 1 17 ARG HD3 . . 3.400 2.277 2.007 3.279 . 0 0 "[ . 1]" 1
1286 1 4 ARG HB2 1 4 ARG HD3 . . 4.060 2.815 2.209 3.878 . 0 0 "[ . 1]" 1
1287 1 35 ARG HB2 1 35 ARG HD3 . . 3.990 3.091 1.986 4.212 0.222 2 0 "[ . 1]" 1
1288 1 35 ARG HB2 1 35 ARG HD2 . . 3.990 3.496 3.163 3.805 . 0 0 "[ . 1]" 1
1289 1 10 LEU HB2 1 70 CYS HB2 . . 3.450 2.115 2.016 2.335 . 0 0 "[ . 1]" 1
1290 1 95 ALA HA 1 116 ILE HB . . 3.770 3.486 3.370 3.630 . 0 0 "[ . 1]" 1
1291 1 45 ILE HA 1 45 ILE MG . . 2.960 2.343 2.313 2.412 . 0 0 "[ . 1]" 1
1292 1 10 LEU HG 1 70 CYS HB2 . . 3.350 3.390 3.372 3.417 0.067 7 0 "[ . 1]" 1
1293 1 35 ARG HB3 1 35 ARG HD3 . . 3.950 3.387 3.061 3.608 . 0 0 "[ . 1]" 1
1294 1 10 LEU MD2 1 70 CYS HB2 . . 4.630 4.068 4.015 4.164 . 0 0 "[ . 1]" 1
1295 1 35 ARG HB3 1 35 ARG HD2 . . 3.950 3.214 2.213 4.070 0.120 10 0 "[ . 1]" 1
1296 1 10 LEU HG 1 114 HIS HB3 . . 3.910 3.060 2.917 3.161 . 0 0 "[ . 1]" 1
1297 1 7 TYR HB2 1 79 LEU MD1 . . 5.330 5.119 5.033 5.296 . 0 0 "[ . 1]" 1
1298 1 78 ASP HA 1 79 LEU MD1 . . 5.500 4.915 4.871 4.958 . 0 0 "[ . 1]" 1
1299 1 10 LEU HB3 1 70 CYS HB2 . . 3.980 2.557 2.449 2.784 . 0 0 "[ . 1]" 1
1300 1 10 LEU HB3 1 114 HIS HB3 . . 4.920 4.719 4.660 4.838 . 0 0 "[ . 1]" 1
1301 1 91 PHE HB3 1 95 ALA MB . . 4.760 4.576 4.455 4.677 . 0 0 "[ . 1]" 1
1302 1 45 ILE HA 1 45 ILE MD . . 3.940 3.880 3.842 3.896 . 0 0 "[ . 1]" 1
1303 1 6 PHE HB2 1 116 ILE MG . . 3.960 2.615 2.480 2.719 . 0 0 "[ . 1]" 1
1304 1 95 ALA MB 1 96 PHE HB2 . . 4.530 4.258 4.215 4.342 . 0 0 "[ . 1]" 1
1305 1 8 HIS HB3 1 79 LEU MD2 . . 4.390 2.296 2.163 2.379 . 0 0 "[ . 1]" 1
1306 1 78 ASP HA 1 79 LEU MD2 . . 4.480 3.797 3.437 4.102 . 0 0 "[ . 1]" 1
1307 1 95 ALA HA 1 116 ILE MD . . 3.570 2.872 2.701 3.183 . 0 0 "[ . 1]" 1
1308 1 10 LEU MD1 1 70 CYS HB2 . . 4.630 1.948 1.920 1.989 . 0 0 "[ . 1]" 1
1309 1 45 ILE MD 1 67 PHE HB2 . . 3.630 2.561 2.285 2.694 . 0 0 "[ . 1]" 1
1310 1 45 ILE MD 1 67 PHE HB3 . . 3.670 2.710 2.448 2.841 . 0 0 "[ . 1]" 1
1311 1 6 PHE HB3 1 116 ILE MG . . 4.170 3.793 3.579 3.897 . 0 0 "[ . 1]" 1
1312 1 4 ARG HB2 1 4 ARG HD2 . . 4.060 2.914 2.241 4.155 0.095 8 0 "[ . 1]" 1
1313 1 63 VAL MG2 1 67 PHE HB2 . . 4.300 3.294 3.257 3.362 . 0 0 "[ . 1]" 1
1314 1 63 VAL MG2 1 67 PHE HB3 . . 4.470 4.504 4.468 4.565 0.095 3 0 "[ . 1]" 1
1315 1 41 LEU HG 1 67 PHE HB2 . . 4.860 4.831 4.742 4.919 0.059 5 0 "[ . 1]" 1
1316 1 13 HIS HB3 1 38 ALA MB . . 3.550 2.145 1.978 2.498 . 0 0 "[ . 1]" 1
1317 1 39 ILE MG 1 40 ASN HB3 . . 5.380 5.350 5.257 5.399 0.019 9 0 "[ . 1]" 1
1318 1 57 LEU HB3 1 58 ASP HB2 . . 4.080 4.021 3.889 4.087 0.007 5 0 "[ . 1]" 1
1319 1 10 LEU HB2 1 70 CYS HB3 . . 3.710 3.352 3.073 3.558 . 0 0 "[ . 1]" 1
1320 1 19 PRO HB2 1 31 ILE HB . . 5.060 3.873 3.230 4.203 . 0 0 "[ . 1]" 1
1321 1 39 ILE MG 1 43 GLN HG3 . . 3.760 1.912 1.892 1.944 . 0 0 "[ . 1]" 1
1322 1 16 VAL MG2 1 19 PRO HB2 . . 3.870 3.416 3.360 3.483 . 0 0 "[ . 1]" 1
1323 1 91 PHE HB2 1 107 VAL MG1 . . 4.150 2.891 2.751 3.093 . 0 0 "[ . 1]" 1
1324 1 42 ALA MB 1 43 GLN HG2 . . 4.080 3.328 3.200 3.484 . 0 0 "[ . 1]" 1
1325 1 82 VAL MG1 1 87 TYR HB2 . . 5.230 5.051 4.602 5.239 0.009 10 0 "[ . 1]" 1
1326 1 82 VAL MG2 1 87 TYR HB2 . . 5.500 4.581 4.272 4.934 . 0 0 "[ . 1]" 1
1327 1 87 TYR HB3 1 88 THR HG1 . . 4.000 3.496 3.367 3.704 . 0 0 "[ . 1]" 1
1328 1 16 VAL HB 1 17 ARG HB2 . . 4.350 3.883 3.808 3.986 . 0 0 "[ . 1]" 1
1329 1 41 LEU HB2 1 67 PHE HB3 . . 5.500 5.215 5.124 5.324 . 0 0 "[ . 1]" 1
1330 1 59 GLU HB3 1 63 VAL MG1 . . 5.500 4.922 4.725 5.069 . 0 0 "[ . 1]" 1
1331 1 6 PHE HB3 1 117 TYR HB3 . . 5.500 5.460 5.334 5.513 0.013 2 0 "[ . 1]" 1
1332 1 88 THR HG1 1 91 PHE HB2 . . 4.800 3.040 2.925 3.188 . 0 0 "[ . 1]" 1
1333 1 42 ALA MB 1 43 GLN HG3 . . 5.220 4.781 4.685 4.929 . 0 0 "[ . 1]" 1
1334 1 39 ILE MG 1 43 GLN HB2 . . 4.080 3.479 3.385 3.594 . 0 0 "[ . 1]" 1
1335 1 16 VAL MG2 1 19 PRO HG3 . . 4.270 2.996 2.931 3.105 . 0 0 "[ . 1]" 1
1336 1 10 LEU HB3 1 70 CYS HB3 . . 4.310 4.029 3.821 4.280 . 0 0 "[ . 1]" 1
1337 1 98 LEU MD1 1 102 GLU HB2 . . 5.060 4.959 4.710 5.074 0.014 4 0 "[ . 1]" 1
1338 1 98 LEU MD1 1 102 GLU HB3 . . 5.060 4.598 4.119 4.966 . 0 0 "[ . 1]" 1
1339 1 46 LEU MD1 1 103 VAL MG1 . . 5.050 2.692 1.868 3.284 . 0 0 "[ . 1]" 1
1340 1 103 VAL MG1 1 115 LEU HB2 . . 5.300 3.393 3.311 3.493 . 0 0 "[ . 1]" 1
1341 1 79 LEU HB2 1 79 LEU MD1 . . 3.660 2.323 2.295 2.349 . 0 0 "[ . 1]" 1
1342 1 57 LEU MD2 1 61 VAL HB . . 4.630 3.978 2.821 4.370 . 0 0 "[ . 1]" 1
1343 1 57 LEU MD2 1 60 PHE HB2 . . 4.660 4.328 4.220 4.434 . 0 0 "[ . 1]" 1
1344 1 57 LEU MD2 1 60 PHE HB3 . . 4.330 3.184 3.081 3.286 . 0 0 "[ . 1]" 1
1345 1 57 LEU HB3 1 57 LEU MD2 . . 3.620 3.155 3.153 3.156 . 0 0 "[ . 1]" 1
1346 1 45 ILE MG 1 63 VAL HB . . 3.660 3.430 3.273 3.628 . 0 0 "[ . 1]" 1
1347 1 29 GLU HB3 1 31 ILE MD . . 4.000 3.685 3.450 3.924 . 0 0 "[ . 1]" 1
1348 1 107 VAL HB 1 116 ILE MD . . 5.370 4.394 4.275 4.624 . 0 0 "[ . 1]" 1
1349 1 94 VAL HB 1 116 ILE MD . . 4.030 2.773 2.633 3.020 . 0 0 "[ . 1]" 1
1350 1 44 ALA MB 1 45 ILE HG13 . . 4.420 3.235 3.135 3.344 . 0 0 "[ . 1]" 1
1351 1 116 ILE HB 1 116 ILE MD . . 3.470 2.427 2.385 2.460 . 0 0 "[ . 1]" 1
1352 1 107 VAL MG2 1 116 ILE MD . . 3.160 2.889 2.716 3.146 . 0 0 "[ . 1]" 1
1353 1 94 VAL MG1 1 116 ILE MD . . 4.250 3.348 3.239 3.534 . 0 0 "[ . 1]" 1
1354 1 46 LEU MD2 1 103 VAL MG2 . . 5.050 2.865 2.137 4.622 . 0 0 "[ . 1]" 1
1355 1 41 LEU HG 1 45 ILE MD . . 4.950 4.144 3.896 4.327 . 0 0 "[ . 1]" 1
1356 1 45 ILE HB 1 45 ILE MD . . 3.190 2.133 2.073 2.275 . 0 0 "[ . 1]" 1
1357 1 79 LEU HB2 1 79 LEU MD2 . . 3.540 3.181 3.177 3.184 . 0 0 "[ . 1]" 1
1358 1 57 LEU HB2 1 57 LEU MD2 . . 3.170 2.557 2.543 2.567 . 0 0 "[ . 1]" 1
1359 1 79 LEU HB3 1 79 LEU MD2 . . 3.470 2.221 2.190 2.258 . 0 0 "[ . 1]" 1
1360 1 116 ILE HG12 1 116 ILE MG . . 3.650 2.366 2.315 2.416 . 0 0 "[ . 1]" 1
1361 1 79 LEU HB3 1 79 LEU MD1 . . 3.420 2.344 2.301 2.378 . 0 0 "[ . 1]" 1
1362 1 57 LEU MD2 1 61 VAL MG1 . . 4.040 3.595 1.978 4.016 . 0 0 "[ . 1]" 1
1363 1 39 ILE HB 1 39 ILE MD . . 2.990 2.046 2.004 2.093 . 0 0 "[ . 1]" 1
1364 1 57 LEU HB3 1 57 LEU MD1 . . 2.960 2.091 2.071 2.104 . 0 0 "[ . 1]" 1
1365 1 16 VAL MG2 1 19 PRO HB3 . . 2.930 2.029 1.957 2.079 . 0 0 "[ . 1]" 1
1366 1 42 ALA MB 1 115 LEU MD2 . . 3.570 2.358 1.958 2.950 . 0 0 "[ . 1]" 1
1367 1 45 ILE MG 1 63 VAL MG2 . . 2.880 1.825 1.799 1.856 . 0 0 "[ . 1]" 1
1368 1 45 ILE MG 1 63 VAL MG1 . . 3.320 2.888 2.689 3.107 . 0 0 "[ . 1]" 1
1369 1 46 LEU MD2 1 103 VAL MG1 . . 5.050 2.165 1.794 3.137 . 0 0 "[ . 1]" 1
1370 1 45 ILE MD 1 45 ILE MG . . 2.790 2.424 2.295 2.544 . 0 0 "[ . 1]" 1
1371 1 9 VAL MG1 1 45 ILE MD . . 3.870 2.178 1.952 2.334 . 0 0 "[ . 1]" 1
1372 1 9 VAL MG2 1 45 ILE MD . . 3.870 2.549 2.232 2.825 . 0 0 "[ . 1]" 1
1373 1 95 ALA MB 1 116 ILE MD . . 3.330 1.850 1.798 1.873 . 0 0 "[ . 1]" 1
1374 1 116 ILE MD 1 116 ILE MG . . 3.630 1.984 1.905 2.058 . 0 0 "[ . 1]" 1
1375 1 94 VAL MG2 1 116 ILE MD . . 4.250 3.916 3.812 4.149 . 0 0 "[ . 1]" 1
1376 1 45 ILE HG13 1 45 ILE MG . . 3.450 3.138 3.102 3.159 . 0 0 "[ . 1]" 1
1377 1 57 LEU MD2 1 119 VAL MG1 . . 4.030 2.764 2.271 4.044 0.014 6 0 "[ . 1]" 1
1378 1 57 LEU MD2 1 119 VAL MG2 . . 4.030 2.015 1.914 2.083 . 0 0 "[ . 1]" 1
1379 1 46 LEU HG 1 103 VAL MG2 . . 4.530 4.259 3.742 4.590 0.060 3 0 "[ . 1]" 1
1380 1 46 LEU HG 1 103 VAL MG1 . . 4.530 3.226 2.759 3.576 . 0 0 "[ . 1]" 1
1381 1 107 VAL MG2 1 116 ILE HG13 . . 4.120 3.271 3.087 3.600 . 0 0 "[ . 1]" 1
1382 1 57 LEU MD2 1 61 VAL MG2 . . 4.040 2.341 1.914 3.987 . 0 0 "[ . 1]" 1
1383 1 94 VAL MG1 1 95 ALA MB . . 5.100 4.290 4.175 4.343 . 0 0 "[ . 1]" 1
1384 1 45 ILE MD 1 63 VAL MG2 . . 3.430 2.412 2.250 2.509 . 0 0 "[ . 1]" 1
1385 1 45 ILE MD 1 63 VAL MG1 . . 4.530 4.442 4.231 4.555 0.025 3 0 "[ . 1]" 1
1386 1 107 VAL MG1 1 116 ILE HG12 . . 5.500 5.546 5.515 5.611 0.111 10 0 "[ . 1]" 1
1387 1 45 ILE HG12 1 45 ILE MG . . 3.690 2.230 2.190 2.259 . 0 0 "[ . 1]" 1
1388 1 19 PRO HB2 1 31 ILE MG . . 5.500 5.161 4.538 5.489 . 0 0 "[ . 1]" 1
1389 1 39 ILE MG 1 43 GLN HG2 . . 4.400 2.234 2.175 2.354 . 0 0 "[ . 1]" 1
1390 1 41 LEU HB3 1 67 PHE HB3 . . 4.780 3.602 3.472 3.871 . 0 0 "[ . 1]" 1
1391 1 14 LYS H 1 14 LYS HE2 . . 5.500 5.135 4.497 5.505 0.005 7 0 "[ . 1]" 1
1392 1 9 VAL HA 1 45 ILE MD . . 5.470 5.016 4.812 5.240 . 0 0 "[ . 1]" 1
1393 1 16 VAL MG1 1 19 PRO HD3 . . 5.500 4.563 4.517 4.655 . 0 0 "[ . 1]" 1
1394 1 91 PHE HB2 1 116 ILE MD . . 4.880 3.710 3.523 3.899 . 0 0 "[ . 1]" 1
1395 1 45 ILE HG13 1 67 PHE HB2 . . 4.970 4.756 4.599 4.900 . 0 0 "[ . 1]" 1
1396 1 45 ILE HG13 1 67 PHE HB3 . . 4.950 4.750 4.612 4.901 . 0 0 "[ . 1]" 1
1397 1 45 ILE MD 1 63 VAL HB . . 4.550 3.664 3.379 3.772 . 0 0 "[ . 1]" 1
1398 1 7 TYR HB3 1 116 ILE MG . . 5.500 5.577 5.528 5.614 0.114 7 0 "[ . 1]" 1
1399 1 28 GLY H 1 29 GLU HB3 . . 5.500 5.398 5.197 5.505 0.005 3 0 "[ . 1]" 1
1400 1 34 SER H 1 38 ALA H . . 4.990 4.602 4.372 4.838 . 0 0 "[ . 1]" 1
1401 1 23 ALA H 1 25 ARG H . . 5.340 5.048 4.748 5.335 . 0 0 "[ . 1]" 1
1402 1 9 VAL H 1 116 ILE HG12 . . 5.500 4.988 4.880 5.117 . 0 0 "[ . 1]" 1
1403 1 9 VAL H 1 115 LEU HB3 . . 5.380 4.962 4.849 5.083 . 0 0 "[ . 1]" 1
1404 1 107 VAL H 1 115 LEU HB3 . . 5.500 4.845 4.772 4.923 . 0 0 "[ . 1]" 1
1405 1 9 VAL MG1 1 45 ILE HG13 . . 5.500 4.651 4.408 4.858 . 0 0 "[ . 1]" 1
1406 1 9 VAL MG2 1 45 ILE HG13 . . 5.500 5.036 4.813 5.369 . 0 0 "[ . 1]" 1
1407 1 94 VAL MG2 1 95 ALA MB . . 5.100 4.820 4.780 4.866 . 0 0 "[ . 1]" 1
1408 1 79 LEU MD1 1 116 ILE MG . . 4.400 2.517 2.306 2.618 . 0 0 "[ . 1]" 1
1409 1 79 LEU MD1 1 116 ILE MD . . 4.530 3.899 3.820 3.990 . 0 0 "[ . 1]" 1
1410 1 45 ILE HG13 1 63 VAL MG2 . . 4.330 3.622 3.472 3.738 . 0 0 "[ . 1]" 1
1411 1 41 LEU HB3 1 42 ALA MB . . 4.060 3.794 3.590 3.886 . 0 0 "[ . 1]" 1
1412 1 11 VAL HB 1 42 ALA MB . . 4.330 4.002 3.592 4.352 0.022 4 0 "[ . 1]" 1
1413 1 94 VAL HB 1 95 ALA MB . . 4.170 3.901 3.839 3.939 . 0 0 "[ . 1]" 1
1414 1 1 PRO HB2 1 2 THR HG1 . . 4.170 3.731 3.382 4.162 . 0 0 "[ . 1]" 1
1415 1 45 ILE HB 1 46 LEU HG . . 5.500 4.660 3.586 5.545 0.045 5 0 "[ . 1]" 1
1416 1 45 ILE HB 1 63 VAL MG1 . . 5.500 5.333 5.135 5.522 0.022 3 0 "[ . 1]" 1
1417 1 45 ILE MG 1 48 GLN HG3 . . 5.500 4.956 3.835 5.162 . 0 0 "[ . 1]" 1
1418 1 86 THR HG1 1 87 TYR HB3 . . 4.470 4.494 4.470 4.562 0.092 8 0 "[ . 1]" 1
1419 1 82 VAL MG2 1 95 ALA MB . . 4.830 3.936 3.779 4.129 . 0 0 "[ . 1]" 1
1420 1 95 ALA MB 1 98 LEU HG . . 5.500 4.528 4.305 4.980 . 0 0 "[ . 1]" 1
1421 1 116 ILE MG 1 117 TYR HB3 . . 5.500 4.413 4.377 4.481 . 0 0 "[ . 1]" 1
1422 1 95 ALA MB 1 98 LEU HB2 . . 5.500 4.337 4.199 4.440 . 0 0 "[ . 1]" 1
1423 1 9 VAL HB 1 45 ILE MD . . 4.090 3.383 3.051 3.681 . 0 0 "[ . 1]" 1
1424 1 103 VAL MG2 1 115 LEU HB2 . . 5.300 4.812 4.715 4.991 . 0 0 "[ . 1]" 1
1425 1 46 LEU MD1 1 103 VAL MG2 . . 5.050 3.639 2.190 4.773 . 0 0 "[ . 1]" 1
1426 1 45 ILE MD 1 115 LEU HB2 . . 5.100 4.603 4.318 5.110 0.010 7 0 "[ . 1]" 1
1427 1 10 LEU HG 1 111 LEU MD1 . . 5.020 3.655 3.247 4.006 . 0 0 "[ . 1]" 1
1428 1 60 PHE HB2 1 63 VAL MG1 . . 5.500 4.716 4.615 4.964 . 0 0 "[ . 1]" 1
1429 1 60 PHE HB2 1 63 VAL MG2 . . 4.500 4.253 4.151 4.382 . 0 0 "[ . 1]" 1
1430 1 95 ALA MB 1 107 VAL MG2 . . 5.500 5.134 5.003 5.358 . 0 0 "[ . 1]" 1
1431 1 107 VAL MG2 1 116 ILE MG . . 5.500 5.199 5.138 5.428 . 0 0 "[ . 1]" 1
1432 1 79 LEU MD2 1 116 ILE HG12 . . 5.440 5.405 5.268 5.454 0.014 5 0 "[ . 1]" 1
1433 1 87 TYR HB3 1 116 ILE MD . . 5.500 5.335 5.160 5.513 0.013 8 0 "[ . 1]" 1
1434 1 41 LEU HB2 1 45 ILE MD . . 5.220 4.913 4.817 5.025 . 0 0 "[ . 1]" 1
1435 1 57 LEU MD1 1 61 VAL HB . . 5.330 3.724 3.661 3.772 . 0 0 "[ . 1]" 1
1436 1 40 ASN HB3 1 41 LEU HB2 . . 5.100 4.553 4.443 4.719 . 0 0 "[ . 1]" 1
1437 1 39 ILE HB 1 40 ASN HB3 . . 5.500 5.169 5.079 5.387 . 0 0 "[ . 1]" 1
1438 1 41 LEU HB3 1 67 PHE HB2 . . 5.500 5.247 5.135 5.526 0.026 8 0 "[ . 1]" 1
1439 1 113 VAL HB 1 114 HIS HB3 . . 5.500 5.442 5.370 5.498 . 0 0 "[ . 1]" 1
1440 1 1 PRO HB3 1 2 THR HG1 . . 5.500 5.174 4.922 5.498 . 0 0 "[ . 1]" 1
1441 1 55 TRP HB2 1 103 VAL HB . . 5.500 5.397 5.255 5.471 . 0 0 "[ . 1]" 1
1442 1 31 ILE MG 1 33 ARG HB2 . . 4.790 2.109 1.914 3.620 . 0 0 "[ . 1]" 1
1443 1 31 ILE MG 1 33 ARG HB3 . . 4.790 3.265 2.315 3.480 . 0 0 "[ . 1]" 1
1444 1 14 LYS HA 1 19 PRO HB3 . . 4.590 2.022 1.993 2.158 . 0 0 "[ . 1]" 1
1445 1 56 SER HB2 1 59 GLU HG2 . . 5.170 4.745 4.568 4.822 . 0 0 "[ . 1]" 1
1446 1 87 TYR HB3 1 88 THR HA . . 5.440 4.352 4.333 4.387 . 0 0 "[ . 1]" 1
1447 1 67 PHE HB2 1 68 SER HB2 . . 5.500 4.349 4.291 4.377 . 0 0 "[ . 1]" 1
1448 1 67 PHE HB2 1 68 SER HB3 . . 5.500 5.104 5.085 5.123 . 0 0 "[ . 1]" 1
1449 1 95 ALA HA 1 116 ILE HG13 . . 5.500 5.109 4.898 5.404 . 0 0 "[ . 1]" 1
1450 1 15 ASP HB2 1 16 VAL MG1 . . 4.570 4.376 4.204 4.602 0.032 2 0 "[ . 1]" 1
1451 1 6 PHE HB2 1 116 ILE HB . . 5.150 5.007 4.804 5.153 0.003 1 0 "[ . 1]" 1
1452 1 13 HIS HB2 1 35 ARG HB3 . . 4.610 3.582 3.379 3.820 . 0 0 "[ . 1]" 1
1453 1 42 ALA HA 1 44 ALA MB . . 4.940 4.909 4.704 4.970 0.030 6 0 "[ . 1]" 1
1454 1 13 HIS HB3 1 35 ARG HB3 . . 5.060 4.267 4.110 4.479 . 0 0 "[ . 1]" 1
1455 1 92 ASP HB2 1 95 ALA MB . . 5.300 4.686 4.223 4.993 . 0 0 "[ . 1]" 1
1456 1 92 ASP HB3 1 95 ALA MB . . 5.300 4.657 4.488 5.216 . 0 0 "[ . 1]" 1
1457 1 42 ALA MB 1 43 GLN HB2 . . 4.820 4.725 4.682 4.760 . 0 0 "[ . 1]" 1
1458 1 15 ASP HB3 1 35 ARG HB2 . . 5.430 4.617 4.178 5.249 . 0 0 "[ . 1]" 1
1459 1 45 ILE HG12 1 67 PHE HB3 . . 5.500 4.672 4.536 4.832 . 0 0 "[ . 1]" 1
1460 1 63 VAL HB 1 67 PHE HB2 . . 4.970 4.148 4.069 4.288 . 0 0 "[ . 1]" 1
1461 1 40 ASN HB3 1 43 GLN HB2 . . 5.300 5.291 5.103 5.324 0.024 7 0 "[ . 1]" 1
1462 1 94 VAL HB 1 104 SER HB3 . . 4.450 3.696 3.461 4.452 0.002 10 0 "[ . 1]" 1
1463 1 6 PHE HB3 1 119 VAL HB . . 5.380 4.554 4.337 5.111 . 0 0 "[ . 1]" 1
1464 1 39 ILE MG 1 40 ASN HB2 . . 4.670 4.482 4.340 4.585 . 0 0 "[ . 1]" 1
1465 1 6 PHE HB3 1 79 LEU MD1 . . 4.950 4.625 4.558 4.666 . 0 0 "[ . 1]" 1
1466 1 39 ILE MD 1 40 ASN HB2 . . 5.500 5.043 4.967 5.136 . 0 0 "[ . 1]" 1
1467 1 16 VAL MG1 1 19 PRO HG3 . . 5.500 5.174 5.102 5.261 . 0 0 "[ . 1]" 1
1468 1 98 LEU MD2 1 102 GLU HB2 . . 5.060 3.375 3.003 3.584 . 0 0 "[ . 1]" 1
1469 1 98 LEU MD2 1 102 GLU HB3 . . 5.060 2.895 2.357 3.224 . 0 0 "[ . 1]" 1
1470 1 29 GLU HG2 1 31 ILE MD . . 5.500 4.930 4.064 5.508 0.008 7 0 "[ . 1]" 1
1471 1 29 GLU HG3 1 31 ILE MD . . 5.500 5.006 4.573 5.494 . 0 0 "[ . 1]" 1
1472 1 104 SER HA 1 116 ILE MD . . 5.190 5.172 4.918 5.260 0.070 9 0 "[ . 1]" 1
1473 1 41 LEU HA 1 45 ILE MD . . 4.590 4.053 3.946 4.105 . 0 0 "[ . 1]" 1
1474 1 46 LEU HA 1 103 VAL MG2 . . 5.500 3.945 3.700 4.162 . 0 0 "[ . 1]" 1
1475 1 57 LEU MD2 1 58 ASP HA . . 4.780 3.681 3.591 3.787 . 0 0 "[ . 1]" 1
1476 1 46 LEU HA 1 103 VAL MG1 . . 5.500 4.410 3.983 4.621 . 0 0 "[ . 1]" 1
1477 1 13 HIS HA 1 31 ILE MG . . 5.500 4.149 3.457 4.756 . 0 0 "[ . 1]" 1
1478 1 31 ILE MG 1 32 THR HA . . 5.500 3.951 3.848 4.095 . 0 0 "[ . 1]" 1
1479 1 34 SER HA 1 38 ALA MB . . 5.500 5.404 5.273 5.539 0.039 9 0 "[ . 1]" 1
1480 1 13 HIS HA 1 38 ALA MB . . 5.500 3.597 3.373 3.796 . 0 0 "[ . 1]" 1
1481 1 10 LEU HB2 1 68 SER HA . . 5.500 4.125 3.828 4.507 . 0 0 "[ . 1]" 1
1482 1 10 LEU HB2 1 70 CYS HA . . 5.500 4.500 4.307 4.740 . 0 0 "[ . 1]" 1
1483 1 40 ASN HA 1 41 LEU HB2 . . 5.430 5.487 5.475 5.505 0.075 5 0 "[ . 1]" 1
1484 1 40 ASN HA 1 43 GLN HB3 . . 5.130 4.030 3.793 4.132 . 0 0 "[ . 1]" 1
1485 1 88 THR HA 1 89 GLU HB2 . . 5.500 4.557 4.449 4.671 . 0 0 "[ . 1]" 1
1486 1 88 THR HA 1 89 GLU HB3 . . 5.500 5.139 4.883 5.299 . 0 0 "[ . 1]" 1
1487 1 100 SER HB3 1 120 GLU HA . . 4.320 3.454 2.269 4.332 0.012 6 0 "[ . 1]" 1
1488 1 100 SER HB2 1 120 GLU HA . . 4.320 3.896 2.791 4.344 0.024 10 0 "[ . 1]" 1
1489 1 12 LYS HA 1 13 HIS HB2 . . 5.500 5.602 5.567 5.628 0.128 7 0 "[ . 1]" 1
1490 1 14 LYS HA 1 14 LYS HE3 . . 5.500 4.651 3.291 5.501 0.001 7 0 "[ . 1]" 1
1491 1 14 LYS HA 1 14 LYS HE2 . . 5.500 4.567 3.071 5.315 . 0 0 "[ . 1]" 1
1492 1 44 ALA HA 1 45 ILE HA . . 5.500 4.743 4.703 4.804 . 0 0 "[ . 1]" 1
1493 1 100 SER HA 1 120 GLU HA . . 5.500 4.061 3.720 5.504 0.004 7 0 "[ . 1]" 1
1494 1 7 TYR HB3 1 79 LEU MD1 . . 5.220 4.985 4.880 5.185 . 0 0 "[ . 1]" 1
1495 1 7 TYR HB2 1 117 TYR HB2 . . 4.590 3.988 3.790 4.268 . 0 0 "[ . 1]" 1
1496 1 5 HIS HA 1 82 VAL MG2 . . 5.390 4.186 4.074 4.319 . 0 0 "[ . 1]" 1
1497 1 6 PHE HB3 1 7 TYR HA . . 5.500 5.609 5.596 5.622 0.122 6 0 "[ . 1]" 1
1498 1 114 HIS HA 1 115 LEU HB2 . . 5.460 4.889 4.683 4.994 . 0 0 "[ . 1]" 1
1499 1 11 VAL HB 1 114 HIS HA . . 5.500 5.167 4.516 5.698 0.198 9 0 "[ . 1]" 1
1500 1 113 VAL HB 1 114 HIS HA . . 5.500 4.202 4.123 4.308 . 0 0 "[ . 1]" 1
1501 1 91 PHE QE 1 107 VAL HB . . 5.260 4.562 4.302 4.776 . 0 0 "[ . 1]" 1
1502 1 87 TYR QE 1 88 THR HG1 . . 5.250 4.728 4.458 5.114 . 0 0 "[ . 1]" 1
1503 1 13 HIS HD2 1 35 ARG HB2 . . 4.810 4.283 3.876 4.821 0.011 7 0 "[ . 1]" 1
1504 1 91 PHE QE 1 116 ILE HB . . 5.200 5.037 4.872 5.100 . 0 0 "[ . 1]" 1
1505 1 91 PHE HZ 1 116 ILE HB . . 5.340 5.219 4.880 5.365 0.025 7 0 "[ . 1]" 1
1506 1 79 LEU HG 1 91 PHE HZ . . 4.830 4.562 4.453 4.677 . 0 0 "[ . 1]" 1
1507 1 103 VAL MG1 1 117 TYR QD . . 4.450 3.955 3.878 3.983 . 0 0 "[ . 1]" 1
1508 1 6 PHE HA 1 116 ILE MG . . 5.230 4.879 4.720 4.950 . 0 0 "[ . 1]" 1
1509 1 8 HIS HD2 1 79 LEU MD2 . . 3.430 1.972 1.881 2.286 . 0 0 "[ . 1]" 1
1510 1 6 PHE QD 1 95 ALA MB . . 3.940 3.451 3.291 3.742 . 0 0 "[ . 1]" 1
1511 1 6 PHE QD 1 116 ILE MG . . 4.170 3.322 3.143 3.414 . 0 0 "[ . 1]" 1
1512 1 57 LEU MD1 1 61 VAL H . . 5.150 3.821 3.741 4.039 . 0 0 "[ . 1]" 1
1513 1 8 HIS HB3 1 117 TYR H . . 4.920 4.552 4.462 4.693 . 0 0 "[ . 1]" 1
1514 1 37 ASP H 1 38 ALA HA . . 5.370 5.039 4.942 5.114 . 0 0 "[ . 1]" 1
1515 1 55 TRP HA 1 55 TRP HE3 . . 4.050 2.132 2.100 2.180 . 0 0 "[ . 1]" 1
1516 1 105 ALA H 1 116 ILE HG13 . . 5.500 5.480 5.430 5.509 0.009 2 0 "[ . 1]" 1
1517 1 96 PHE H 1 97 SER HB2 . . 5.500 4.768 4.574 4.928 . 0 0 "[ . 1]" 1
1518 1 96 PHE H 1 97 SER HB3 . . 5.500 4.878 4.740 5.009 . 0 0 "[ . 1]" 1
1519 1 93 THR HA 1 96 PHE H . . 4.980 4.295 4.206 4.361 . 0 0 "[ . 1]" 1
1520 1 2 THR HB 1 3 GLU H . . 4.430 3.391 2.776 3.697 . 0 0 "[ . 1]" 1
1521 1 42 ALA HA 1 43 GLN HE21 . . 5.500 5.524 5.510 5.536 0.036 8 0 "[ . 1]" 1
1522 1 25 ARG HA 1 27 LYS H . . 4.850 4.071 3.879 4.348 . 0 0 "[ . 1]" 1
1523 1 22 LEU HA 1 27 LYS H . . 5.500 5.525 5.320 5.595 0.095 4 0 "[ . 1]" 1
1524 1 13 HIS HD2 1 34 SER HA . . 5.500 5.496 5.313 5.536 0.036 2 0 "[ . 1]" 1
1525 1 49 HIS HD2 1 53 LYS H . . 5.500 5.088 4.595 5.443 . 0 0 "[ . 1]" 1
1526 1 6 PHE HZ 1 96 PHE H . . 4.950 4.532 4.284 4.691 . 0 0 "[ . 1]" 1
1527 1 55 TRP HE3 1 56 SER HA . . 4.890 4.464 4.374 4.554 . 0 0 "[ . 1]" 1
1528 1 60 PHE QD 1 61 VAL HA . . 5.120 3.809 3.704 3.876 . 0 0 "[ . 1]" 1
1529 1 55 TRP HB3 1 55 TRP HE3 . . 3.460 3.243 3.226 3.262 . 0 0 "[ . 1]" 1
1530 1 55 TRP HE3 1 59 GLU HB3 . . 3.680 3.165 3.019 3.429 . 0 0 "[ . 1]" 1
1531 1 60 PHE QD 1 63 VAL HB . . 5.410 5.353 5.178 5.622 0.212 7 0 "[ . 1]" 1
1532 1 45 ILE HG13 1 48 GLN H . . 5.500 5.508 5.456 5.545 0.045 4 0 "[ . 1]" 1
1533 1 6 PHE HZ 1 116 ILE MD . . 5.500 5.565 5.462 5.600 0.100 1 0 "[ . 1]" 1
1534 1 79 LEU MD1 1 91 PHE QE . . 4.700 2.499 2.351 2.575 . 0 0 "[ . 1]" 1
1535 1 4 ARG HB2 1 6 PHE QE . . 3.480 2.354 2.208 2.547 . 0 0 "[ . 1]" 1
1536 1 6 PHE QE 1 82 VAL MG1 . . 3.600 3.472 3.212 3.600 0.000 1 0 "[ . 1]" 1
1537 1 48 GLN HE21 1 63 VAL HB . . 4.820 3.718 3.377 4.034 . 0 0 "[ . 1]" 1
1538 1 91 PHE QE 1 114 HIS HB3 . . 5.280 4.821 4.568 4.971 . 0 0 "[ . 1]" 1
1539 1 91 PHE QE 1 114 HIS HB2 . . 4.740 3.627 3.361 3.824 . 0 0 "[ . 1]" 1
1540 1 6 PHE HB3 1 117 TYR QD . . 4.870 4.711 4.652 4.751 . 0 0 "[ . 1]" 1
1541 1 103 VAL HA 1 117 TYR QD . . 4.950 3.777 3.689 3.888 . 0 0 "[ . 1]" 1
1542 1 109 THR HA 1 112 GLY H . . 4.630 4.464 4.365 4.591 . 0 0 "[ . 1]" 1
1543 1 87 TYR QD 1 88 THR HB . . 5.500 5.120 4.925 5.324 . 0 0 "[ . 1]" 1
1544 1 48 GLN HA 1 55 TRP HH2 . . 5.500 5.513 5.424 5.557 0.057 1 0 "[ . 1]" 1
1545 1 4 ARG HA 1 6 PHE HZ . . 5.500 5.592 5.549 5.625 0.125 1 0 "[ . 1]" 1
1546 1 91 PHE QE 1 116 ILE HA . . 4.920 4.478 4.422 4.578 . 0 0 "[ . 1]" 1
1547 1 6 PHE HB2 1 7 TYR HA . . 4.980 4.295 4.266 4.363 . 0 0 "[ . 1]" 1
1548 1 60 PHE HA 1 117 TYR QE . . 5.460 5.384 5.273 5.529 0.069 7 0 "[ . 1]" 1
1549 1 45 ILE HA 1 48 GLN HE21 . . 4.440 1.931 1.914 1.943 . 0 0 "[ . 1]" 1
1550 1 6 PHE HZ 1 95 ALA HA . . 5.500 5.354 5.219 5.579 0.079 10 0 "[ . 1]" 1
1551 1 7 TYR HA 1 7 TYR QD . . 3.450 1.996 1.968 2.020 . 0 0 "[ . 1]" 1
1552 1 7 TYR HB2 1 117 TYR QD . . 3.920 3.588 3.509 3.715 . 0 0 "[ . 1]" 1
1553 1 55 TRP HE3 1 117 TYR QE . . 4.360 3.141 2.959 3.418 . 0 0 "[ . 1]" 1
1554 1 72 SER H 1 74 LYS H . . 5.240 3.771 3.687 3.839 . 0 0 "[ . 1]" 1
1555 1 55 TRP HE1 1 117 TYR QE . . 5.500 5.342 5.243 5.515 0.015 6 0 "[ . 1]" 1
1556 1 85 GLY H 1 96 PHE QD . . 5.500 5.364 5.083 5.630 0.130 9 0 "[ . 1]" 1
1557 1 85 GLY H 1 96 PHE QE . . 4.790 4.527 4.371 4.623 . 0 0 "[ . 1]" 1
1558 1 85 GLY H 1 96 PHE HZ . . 5.030 4.625 4.412 4.820 . 0 0 "[ . 1]" 1
1559 1 55 TRP HE1 1 103 VAL H . . 4.840 4.511 4.259 4.807 . 0 0 "[ . 1]" 1
1560 1 70 CYS H 1 72 SER H . . 5.340 4.954 4.369 5.136 . 0 0 "[ . 1]" 1
1561 1 46 LEU H 1 55 TRP HE1 . . 5.500 5.339 5.072 5.553 0.053 10 0 "[ . 1]" 1
1562 1 7 TYR QD 1 78 ASP HA . . 3.790 2.354 2.199 2.656 . 0 0 "[ . 1]" 1
1563 1 7 TYR QE 1 78 ASP HA . . 4.390 3.949 3.767 4.190 . 0 0 "[ . 1]" 1
1564 1 7 TYR QE 1 78 ASP HB2 . . 4.370 3.350 2.395 4.206 . 0 0 "[ . 1]" 1
1565 1 48 GLN HA 1 50 LYS H . . 4.800 3.844 3.723 4.004 . 0 0 "[ . 1]" 1
1566 1 10 LEU H 1 114 HIS HB2 . . 5.500 4.418 4.285 4.667 . 0 0 "[ . 1]" 1
1567 1 10 LEU H 1 114 HIS HB3 . . 5.160 4.638 4.542 4.754 . 0 0 "[ . 1]" 1
1568 1 8 HIS HB3 1 8 HIS HE1 . . 5.300 5.252 5.222 5.283 . 0 0 "[ . 1]" 1
1569 1 8 HIS HE1 1 114 HIS HA . . 5.040 5.002 4.579 5.060 0.020 3 0 "[ . 1]" 1
1570 1 8 HIS HE1 1 91 PHE HZ . . 5.500 5.534 5.508 5.553 0.053 4 0 "[ . 1]" 1
1571 1 5 HIS HA 1 5 HIS HD2 . . 3.350 3.160 2.621 3.355 0.005 8 0 "[ . 1]" 1
1572 1 26 ASN HA 1 26 ASN HD21 . . 4.340 4.229 4.135 4.291 . 0 0 "[ . 1]" 1
1573 1 87 TYR QD 1 91 PHE HB2 . . 4.620 3.294 3.071 3.805 . 0 0 "[ . 1]" 1
1574 1 84 SER H 1 85 GLY H . . 4.620 4.482 4.427 4.516 . 0 0 "[ . 1]" 1
1575 1 85 GLY H 1 87 TYR H . . 4.840 3.480 3.325 3.678 . 0 0 "[ . 1]" 1
1576 1 71 GLY H 1 72 SER H . . 4.440 3.049 2.804 3.179 . 0 0 "[ . 1]" 1
1577 1 72 SER H 1 73 ALA H . . 4.040 2.783 2.717 2.957 . 0 0 "[ . 1]" 1
1578 1 85 GLY H 1 86 THR H . . 4.050 2.041 2.032 2.063 . 0 0 "[ . 1]" 1
1579 1 109 THR H 1 114 HIS H . . 4.740 4.205 4.122 4.325 . 0 0 "[ . 1]" 1
1580 1 107 VAL H 1 114 HIS H . . 3.850 3.855 3.719 3.888 0.038 5 0 "[ . 1]" 1
1581 1 113 VAL H 1 114 HIS H . . 4.670 4.547 4.536 4.567 . 0 0 "[ . 1]" 1
1582 1 114 HIS H 1 115 LEU H . . 4.710 4.344 4.314 4.363 . 0 0 "[ . 1]" 1
1583 1 11 VAL H 1 12 LYS H . . 4.940 4.294 4.191 4.380 . 0 0 "[ . 1]" 1
1584 1 8 HIS H 1 9 VAL H . . 4.960 4.357 4.335 4.375 . 0 0 "[ . 1]" 1
1585 1 108 GLU H 1 109 THR H . . 5.290 4.108 4.028 4.217 . 0 0 "[ . 1]" 1
1586 1 8 HIS H 1 79 LEU H . . 4.560 3.807 3.640 4.122 . 0 0 "[ . 1]" 1
1587 1 109 THR H 1 111 LEU H . . 5.260 4.721 4.562 4.885 . 0 0 "[ . 1]" 1
1588 1 11 VAL H 1 113 VAL H . . 4.570 4.243 4.088 4.378 . 0 0 "[ . 1]" 1
1589 1 7 TYR H 1 117 TYR H . . 4.480 3.057 2.978 3.123 . 0 0 "[ . 1]" 1
1590 1 68 SER H 1 69 GLU H . . 4.830 4.629 4.607 4.649 . 0 0 "[ . 1]" 1
1591 1 11 VAL H 1 115 LEU H . . 5.360 5.073 4.863 5.318 . 0 0 "[ . 1]" 1
1592 1 8 HIS HE1 1 69 GLU H . . 5.500 5.531 5.504 5.557 0.057 6 0 "[ . 1]" 1
1593 1 69 GLU H 1 70 CYS H . . 3.700 2.034 1.871 2.247 . 0 0 "[ . 1]" 1
1594 1 8 HIS HE1 1 11 VAL H . . 5.340 4.914 4.463 5.024 . 0 0 "[ . 1]" 1
1595 1 109 THR H 1 112 GLY H . . 3.660 3.436 3.317 3.510 . 0 0 "[ . 1]" 1
1596 1 7 TYR H 1 119 VAL H . . 4.730 4.200 3.933 4.322 . 0 0 "[ . 1]" 1
1597 1 6 PHE H 1 7 TYR H . . 5.230 4.398 4.394 4.402 . 0 0 "[ . 1]" 1
1598 1 54 THR H 1 55 TRP H . . 5.500 3.847 3.710 3.931 . 0 0 "[ . 1]" 1
1599 1 10 LEU H 1 69 GLU H . . 4.100 3.098 2.967 3.189 . 0 0 "[ . 1]" 1
1600 1 10 LEU H 1 11 VAL H . . 4.960 4.425 4.385 4.461 . 0 0 "[ . 1]" 1
1601 1 110 GLU H 1 112 GLY H . . 5.270 4.251 4.193 4.328 . 0 0 "[ . 1]" 1
1602 1 109 THR H 1 114 HIS HD2 . . 4.160 4.174 4.116 4.213 0.053 8 0 "[ . 1]" 1
1603 1 55 TRP HE3 1 56 SER H . . 4.210 2.146 1.958 2.361 . 0 0 "[ . 1]" 1
1604 1 7 TYR H 1 7 TYR QD . . 3.700 3.495 3.235 3.597 . 0 0 "[ . 1]" 1
1605 1 8 HIS H 1 8 HIS HD2 . . 3.730 3.309 3.176 3.569 . 0 0 "[ . 1]" 1
1606 1 49 HIS HD2 1 55 TRP H . . 4.980 4.374 3.926 4.993 0.013 6 0 "[ . 1]" 1
1607 1 55 TRP H 1 55 TRP HD1 . . 5.440 4.525 4.466 4.592 . 0 0 "[ . 1]" 1
1608 1 114 HIS H 1 114 HIS HD2 . . 2.970 1.942 1.924 1.959 . 0 0 "[ . 1]" 1
1609 1 6 PHE HA 1 7 TYR H . . 3.510 2.485 2.408 2.522 . 0 0 "[ . 1]" 1
1610 1 7 TYR HA 1 8 HIS H . . 3.540 2.510 2.442 2.536 . 0 0 "[ . 1]" 1
1611 1 11 VAL H 1 114 HIS HA . . 4.330 3.148 2.959 3.365 . 0 0 "[ . 1]" 1
1612 1 108 GLU HA 1 114 HIS H . . 4.540 3.643 3.532 3.747 . 0 0 "[ . 1]" 1
1613 1 109 THR HG1 1 114 HIS HD2 . . 3.470 3.424 3.350 3.488 0.018 5 0 "[ . 1]" 1
1614 1 107 VAL H 1 116 ILE MD . . 5.500 5.290 5.148 5.544 0.044 10 0 "[ . 1]" 1
1615 1 7 TYR QD 1 117 TYR HB3 . . 4.500 3.813 3.619 3.974 . 0 0 "[ . 1]" 1
1616 1 117 TYR HB3 1 118 ARG H . . 4.980 4.255 4.220 4.271 . 0 0 "[ . 1]" 1
1617 1 6 PHE HB3 1 118 ARG H . . 5.070 4.421 4.263 4.509 . 0 0 "[ . 1]" 1
1618 1 45 ILE HG12 1 55 TRP HH2 . . 5.290 5.023 4.612 5.296 0.006 6 0 "[ . 1]" 1
1619 1 4 ARG HG3 1 6 PHE QE . . 4.740 3.872 2.505 4.307 . 0 0 "[ . 1]" 1
1620 1 44 ALA MB 1 48 GLN HE21 . . 5.110 3.513 3.422 3.649 . 0 0 "[ . 1]" 1
1621 1 98 LEU MD2 1 118 ARG H . . 5.380 4.095 3.748 4.989 . 0 0 "[ . 1]" 1
1622 1 57 LEU H 1 59 GLU HB2 . . 5.270 5.117 4.948 5.244 . 0 0 "[ . 1]" 1
1623 1 45 ILE MG 1 55 TRP HH2 . . 3.140 2.407 2.028 2.634 . 0 0 "[ . 1]" 1
1624 1 16 VAL HA 1 17 ARG HB2 . . 4.590 4.516 4.415 4.612 0.022 5 0 "[ . 1]" 1
1625 1 16 VAL HB 1 19 PRO HA . . 4.950 4.752 4.634 4.833 . 0 0 "[ . 1]" 1
1626 1 9 VAL MG2 1 68 SER HB2 . . 5.890 2.820 2.340 3.079 . 0 0 "[ . 1]" 1
1627 1 57 LEU HA 1 60 PHE HB2 . . 4.230 3.943 3.886 4.026 . 0 0 "[ . 1]" 1
1628 1 31 ILE H 1 31 ILE HG12 . . 2.930 2.495 2.340 2.616 . 0 0 "[ . 1]" 1
1629 1 36 ALA H 1 36 ALA MB . . 3.020 2.109 2.030 2.242 . 0 0 "[ . 1]" 1
1630 1 37 ASP H 1 37 ASP HB3 . . 3.700 3.170 2.828 3.576 . 0 0 "[ . 1]" 1
1631 1 21 SER HB3 1 23 ALA MB . . 4.570 3.806 3.126 4.518 . 0 0 "[ . 1]" 1
1632 1 42 ALA MB 1 43 GLN HA . . 4.520 3.818 3.685 3.867 . 0 0 "[ . 1]" 1
1633 1 42 ALA H 1 42 ALA MB . . 2.740 2.129 2.028 2.233 . 0 0 "[ . 1]" 1
1634 1 15 ASP H 1 19 PRO HB2 . . 5.500 5.533 5.479 5.556 0.056 2 0 "[ . 1]" 1
1635 1 51 GLU H 1 51 GLU HG3 . . 4.020 3.312 3.015 3.798 . 0 0 "[ . 1]" 1
1636 1 51 GLU HA 1 51 GLU HG2 . . 4.010 2.443 2.109 2.643 . 0 0 "[ . 1]" 1
1637 1 51 GLU HA 1 51 GLU HG3 . . 4.010 3.076 2.697 3.658 . 0 0 "[ . 1]" 1
1638 1 54 THR H 1 54 THR HG1 . . 3.270 2.911 2.523 3.039 . 0 0 "[ . 1]" 1
1639 1 61 VAL HA 1 61 VAL MG1 . . 2.990 2.503 2.318 3.166 0.176 7 0 "[ . 1]" 1
1640 1 60 PHE HA 1 63 VAL MG1 . . 3.490 2.536 2.399 2.829 . 0 0 "[ . 1]" 1
1641 1 67 PHE H 1 67 PHE HB3 . . 3.720 3.655 3.613 3.697 . 0 0 "[ . 1]" 1
1642 1 67 PHE H 1 67 PHE HB2 . . 3.760 2.453 2.383 2.517 . 0 0 "[ . 1]" 1
1643 1 73 ALA H 1 73 ALA MB . . 2.850 2.175 2.111 2.299 . 0 0 "[ . 1]" 1
1644 1 111 LEU H 1 111 LEU HG . . 3.210 2.049 1.946 2.233 . 0 0 "[ . 1]" 1
1645 1 83 GLU H 1 83 GLU HB3 . . 3.850 3.433 2.256 3.713 . 0 0 "[ . 1]" 1
1646 1 83 GLU H 1 83 GLU HB2 . . 3.850 2.728 2.473 3.714 . 0 0 "[ . 1]" 1
1647 1 88 THR H 1 88 THR HB . . 3.880 3.517 3.494 3.606 . 0 0 "[ . 1]" 1
1648 1 88 THR H 1 88 THR HG1 . . 3.140 2.015 1.961 2.223 . 0 0 "[ . 1]" 1
1649 1 92 ASP H 1 92 ASP HB2 . . 3.730 3.316 2.250 3.583 . 0 0 "[ . 1]" 1
1650 1 93 THR H 1 93 THR HG1 . . 3.140 2.034 1.935 2.151 . 0 0 "[ . 1]" 1
1651 1 96 PHE HB2 1 97 SER H . . 3.630 3.081 2.800 3.378 . 0 0 "[ . 1]" 1
1652 1 45 ILE HA 1 48 GLN HE22 . . 3.510 3.108 2.997 3.264 . 0 0 "[ . 1]" 1
1653 1 88 THR H 1 91 PHE HB3 . . 3.710 3.143 3.034 3.395 . 0 0 "[ . 1]" 1
1654 1 98 LEU H 1 98 LEU HB2 . . 3.890 2.197 2.160 2.328 . 0 0 "[ . 1]" 1
1655 1 104 SER H 1 104 SER HB3 . . 3.880 2.624 2.210 2.770 . 0 0 "[ . 1]" 1
1656 1 105 ALA H 1 105 ALA MB . . 2.850 2.044 2.027 2.060 . 0 0 "[ . 1]" 1
1657 1 107 VAL H 1 107 VAL HB . . 2.980 2.503 2.493 2.535 . 0 0 "[ . 1]" 1
1658 1 110 GLU H 1 110 GLU HG2 . . 5.070 3.520 2.254 4.591 . 0 0 "[ . 1]" 1
1659 1 110 GLU H 1 110 GLU HG3 . . 5.070 3.765 2.411 4.527 . 0 0 "[ . 1]" 1
1660 1 111 LEU H 1 111 LEU MD1 . . 3.830 3.626 3.510 3.802 . 0 0 "[ . 1]" 1
1661 1 109 THR HG1 1 114 HIS H . . 5.500 4.315 4.160 4.460 . 0 0 "[ . 1]" 1
1662 1 115 LEU H 1 115 LEU MD1 . . 4.270 3.151 1.920 3.919 . 0 0 "[ . 1]" 1
1663 1 115 LEU H 1 115 LEU MD2 . . 4.270 3.648 3.063 4.280 0.010 10 0 "[ . 1]" 1
1664 1 65 ARG H 1 65 ARG HG2 . . 3.930 2.385 2.053 3.187 . 0 0 "[ . 1]" 1
1665 1 115 LEU H 1 115 LEU HB2 . . 4.150 2.830 2.675 2.898 . 0 0 "[ . 1]" 1
1666 1 115 LEU H 1 115 LEU HG . . 3.710 2.747 2.368 3.445 . 0 0 "[ . 1]" 1
1667 1 98 LEU MD2 1 104 SER HB3 . . 4.520 2.671 2.300 3.667 . 0 0 "[ . 1]" 1
1668 1 119 VAL HA 1 119 VAL MG2 . . 3.410 2.358 2.108 2.415 . 0 0 "[ . 1]" 1
1669 1 120 GLU H 1 120 GLU HB3 . . 3.980 3.248 2.532 4.057 0.077 7 0 "[ . 1]" 1
1670 1 118 ARG H 1 118 ARG HB2 . . 4.110 2.481 2.147 2.788 . 0 0 "[ . 1]" 1
1671 1 66 ASP HB3 1 67 PHE H . . 3.500 3.203 3.139 3.398 . 0 0 "[ . 1]" 1
1672 1 73 ALA MB 1 74 LYS H . . 3.270 3.169 3.122 3.227 . 0 0 "[ . 1]" 1
1673 1 52 ARG HA 1 53 LYS H . . 3.550 2.204 2.140 2.440 . 0 0 "[ . 1]" 1
1674 1 53 LYS H 1 53 LYS HG2 . . 4.430 3.431 2.249 4.363 . 0 0 "[ . 1]" 1
1675 1 53 LYS H 1 53 LYS HG3 . . 4.430 3.127 2.152 3.826 . 0 0 "[ . 1]" 1
1676 1 53 LYS H 1 53 LYS HD2 . . 5.500 4.128 2.227 5.150 . 0 0 "[ . 1]" 1
1677 1 53 LYS H 1 53 LYS HD3 . . 5.500 3.818 2.077 5.187 . 0 0 "[ . 1]" 1
1678 1 30 LYS H 1 30 LYS HB2 . . 2.950 2.684 2.671 2.732 . 0 0 "[ . 1]" 1
1679 1 23 ALA H 1 24 PRO HA . . 5.500 5.465 5.409 5.510 0.010 1 0 "[ . 1]" 1
1680 1 65 ARG H 1 65 ARG HG3 . . 3.930 2.939 1.947 3.672 . 0 0 "[ . 1]" 1
1681 1 39 ILE MG 1 43 GLN H . . 4.600 3.686 3.585 3.815 . 0 0 "[ . 1]" 1
1682 1 35 ARG HA 1 39 ILE MD . . 4.160 3.757 3.482 3.947 . 0 0 "[ . 1]" 1
1683 1 4 ARG HB2 1 96 PHE HB3 . . 5.500 5.115 4.799 5.604 0.104 9 0 "[ . 1]" 1
1684 1 65 ARG H 1 65 ARG HB3 . . 2.900 2.637 2.502 2.759 . 0 0 "[ . 1]" 1
1685 1 9 VAL HB 1 115 LEU H . . 4.030 2.974 2.918 3.076 . 0 0 "[ . 1]" 1
1686 1 42 ALA HA 1 45 ILE HB . . 3.570 3.295 3.165 3.402 . 0 0 "[ . 1]" 1
1687 1 35 ARG HA 1 36 ALA HA . . 4.990 4.769 4.741 4.803 . 0 0 "[ . 1]" 1
1688 1 13 HIS HB2 1 35 ARG HB2 . . 5.130 4.577 4.342 5.031 . 0 0 "[ . 1]" 1
1689 1 15 ASP HB2 1 35 ARG HB2 . . 5.500 4.267 3.759 5.036 . 0 0 "[ . 1]" 1
1690 1 9 VAL HA 1 10 LEU HB3 . . 5.500 5.026 4.996 5.064 . 0 0 "[ . 1]" 1
1691 1 45 ILE MG 1 48 GLN HG2 . . 5.500 5.379 5.014 5.513 0.013 3 0 "[ . 1]" 1
1692 1 10 LEU HG 1 114 HIS HB2 . . 4.040 3.972 3.841 4.039 . 0 0 "[ . 1]" 1
1693 1 11 VAL HB 1 38 ALA MB . . 4.390 3.269 3.039 3.534 . 0 0 "[ . 1]" 1
1694 1 27 LYS H 1 29 GLU HB3 . . 5.500 5.440 5.366 5.706 0.206 5 0 "[ . 1]" 1
1695 1 40 ASN HD21 1 43 GLN HB2 . . 5.500 4.553 4.109 5.261 . 0 0 "[ . 1]" 1
1696 1 45 ILE HB 1 46 LEU HA . . 5.110 4.186 4.154 4.255 . 0 0 "[ . 1]" 1
1697 1 26 ASN HA 1 29 GLU HB2 . . 4.200 2.696 2.500 2.898 . 0 0 "[ . 1]" 1
1698 1 42 ALA MB 1 115 LEU MD1 . . 3.570 1.906 1.787 2.200 . 0 0 "[ . 1]" 1
1699 1 1 PRO QD 1 2 THR H . . 4.900 2.864 2.611 4.803 . 0 0 "[ . 1]" 1
1700 1 1 PRO QD 1 83 GLU QG . . 4.710 2.926 2.029 4.690 . 0 0 "[ . 1]" 1
1701 1 2 THR H 1 83 GLU QG . . 4.590 3.022 2.656 3.600 . 0 0 "[ . 1]" 1
1702 1 2 THR HA 1 83 GLU QG . . 5.340 4.362 3.873 5.280 . 0 0 "[ . 1]" 1
1703 1 2 THR HG1 1 83 GLU QG . . 5.340 4.483 4.087 5.263 . 0 0 "[ . 1]" 1
1704 1 2 THR HG1 1 84 SER QB . . 4.400 4.120 3.758 4.387 . 0 0 "[ . 1]" 1
1705 1 3 GLU H 1 3 GLU QG . . 3.450 2.075 1.902 2.245 . 0 0 "[ . 1]" 1
1706 1 3 GLU H 1 83 GLU QG . . 5.100 4.024 3.495 5.288 0.188 9 0 "[ . 1]" 1
1707 1 3 GLU HA 1 4 ARG QG . . 5.340 4.563 3.152 5.047 . 0 0 "[ . 1]" 1
1708 1 3 GLU HA 1 83 GLU QG . . 4.610 3.185 2.515 4.489 . 0 0 "[ . 1]" 1
1709 1 3 GLU QG 1 4 ARG H . . 4.630 3.897 3.655 4.214 . 0 0 "[ . 1]" 1
1710 1 4 ARG H 1 4 ARG QD . . 5.320 2.976 2.664 4.400 . 0 0 "[ . 1]" 1
1711 1 4 ARG HB3 1 4 ARG QD . . 3.690 3.069 2.183 3.293 . 0 0 "[ . 1]" 1
1712 1 4 ARG QG 1 5 HIS H . . 5.040 3.547 3.275 4.199 . 0 0 "[ . 1]" 1
1713 1 4 ARG QG 1 6 PHE QD . . 4.910 3.997 3.807 4.453 . 0 0 "[ . 1]" 1
1714 1 4 ARG QG 1 6 PHE QE . . 4.050 2.789 2.467 2.964 . 0 0 "[ . 1]" 1
1715 1 4 ARG QG 1 6 PHE HZ . . 4.890 4.283 3.049 4.730 . 0 0 "[ . 1]" 1
1716 1 4 ARG QG 1 96 PHE HA . . 2.820 2.745 2.180 2.971 0.151 10 0 "[ . 1]" 1
1717 1 4 ARG QG 1 96 PHE HB3 . . 4.530 4.039 3.187 4.362 . 0 0 "[ . 1]" 1
1718 1 4 ARG QD 1 5 HIS H . . 5.120 4.585 3.929 4.920 . 0 0 "[ . 1]" 1
1719 1 4 ARG QD 1 6 PHE QE . . 4.240 3.650 3.470 4.250 0.010 9 0 "[ . 1]" 1
1720 1 4 ARG QD 1 84 SER H . . 5.340 4.935 4.466 5.513 0.173 8 0 "[ . 1]" 1
1721 1 4 ARG QD 1 96 PHE QD . . 3.470 2.433 2.001 3.489 0.019 9 0 "[ . 1]" 1
1722 1 4 ARG QD 1 96 PHE QE . . 4.910 3.123 2.385 4.283 . 0 0 "[ . 1]" 1
1723 1 5 HIS H 1 119 VAL QG . . 4.990 4.875 3.973 5.111 0.121 10 0 "[ . 1]" 1
1724 1 5 HIS HB3 1 119 VAL QG . . 4.180 3.810 2.820 4.089 . 0 0 "[ . 1]" 1
1725 1 5 HIS HD2 1 119 VAL QG . . 5.440 4.581 4.105 4.727 . 0 0 "[ . 1]" 1
1726 1 5 HIS HE1 1 119 VAL QG . . 3.350 2.192 1.957 2.886 . 0 0 "[ . 1]" 1
1727 1 6 PHE H 1 119 VAL QG . . 4.080 3.873 3.808 3.997 . 0 0 "[ . 1]" 1
1728 1 6 PHE HA 1 119 VAL QG . . 3.260 1.986 1.891 2.730 . 0 0 "[ . 1]" 1
1729 1 6 PHE HB3 1 98 LEU QD . . 5.280 4.210 3.929 5.334 0.054 10 0 "[ . 1]" 1
1730 1 6 PHE HZ 1 92 ASP QB . . 5.340 5.222 5.050 5.377 0.037 9 0 "[ . 1]" 1
1731 1 7 TYR H 1 119 VAL QG . . 4.270 3.038 2.637 4.255 . 0 0 "[ . 1]" 1
1732 1 7 TYR HA 1 8 HIS QB . . 5.180 3.795 3.775 3.813 . 0 0 "[ . 1]" 1
1733 1 7 TYR HA 1 64 VAL QG . . 4.700 4.131 4.032 4.254 . 0 0 "[ . 1]" 1
1734 1 7 TYR HA 1 78 ASP QB . . 4.470 4.179 3.706 4.480 0.010 4 0 "[ . 1]" 1
1735 1 7 TYR HB2 1 119 VAL QG . . 5.160 3.915 3.562 5.077 . 0 0 "[ . 1]" 1
1736 1 7 TYR HB3 1 9 VAL QG . . 5.440 4.510 4.396 4.661 . 0 0 "[ . 1]" 1
1737 1 7 TYR HB3 1 61 VAL QG . . 5.260 4.332 4.162 4.581 . 0 0 "[ . 1]" 1
1738 1 7 TYR HB3 1 64 VAL QG . . 3.490 2.479 2.308 2.659 . 0 0 "[ . 1]" 1
1739 1 7 TYR QD 1 61 VAL QG . . 3.180 2.515 2.185 3.265 0.085 7 0 "[ . 1]" 1
1740 1 7 TYR QD 1 78 ASP QB . . 4.390 2.765 2.384 3.174 . 0 0 "[ . 1]" 1
1741 1 7 TYR QE 1 61 VAL QG . . 2.810 1.985 1.828 2.551 . 0 0 "[ . 1]" 1
1742 1 7 TYR QE 1 78 ASP QB . . 3.500 2.643 2.205 3.095 . 0 0 "[ . 1]" 1
1743 1 8 HIS H 1 9 VAL QG . . 4.860 4.055 3.975 4.292 . 0 0 "[ . 1]" 1
1744 1 8 HIS H 1 64 VAL QG . . 4.390 2.861 2.736 2.985 . 0 0 "[ . 1]" 1
1745 1 8 HIS H 1 77 GLY QA . . 5.170 4.080 3.850 4.497 . 0 0 "[ . 1]" 1
1746 1 8 HIS HA 1 9 VAL QG . . 3.790 3.565 3.355 3.798 0.008 4 0 "[ . 1]" 1
1747 1 8 HIS HA 1 64 VAL QG . . 4.950 3.906 3.718 4.008 . 0 0 "[ . 1]" 1
1748 1 8 HIS HA 1 103 VAL QG . . 5.440 5.251 5.184 5.358 . 0 0 "[ . 1]" 1
1749 1 8 HIS QB 1 8 HIS HE1 . . 4.640 4.403 4.388 4.422 . 0 0 "[ . 1]" 1
1750 1 8 HIS QB 1 9 VAL H . . 3.750 2.900 2.798 2.972 . 0 0 "[ . 1]" 1
1751 1 8 HIS QB 1 79 LEU MD1 . . 3.570 2.017 1.933 2.092 . 0 0 "[ . 1]" 1
1752 1 8 HIS QB 1 79 LEU MD2 . . 3.730 2.269 2.142 2.350 . 0 0 "[ . 1]" 1
1753 1 8 HIS QB 1 91 PHE QE . . 4.030 2.902 2.756 3.026 . 0 0 "[ . 1]" 1
1754 1 8 HIS QB 1 91 PHE HZ . . 5.130 2.257 2.161 2.326 . 0 0 "[ . 1]" 1
1755 1 8 HIS QB 1 116 ILE HG13 . . 5.100 4.313 4.181 4.416 . 0 0 "[ . 1]" 1
1756 1 8 HIS QB 1 117 TYR H . . 4.220 4.033 3.944 4.170 . 0 0 "[ . 1]" 1
1757 1 8 HIS HD2 1 77 GLY QA . . 4.260 3.214 2.802 4.152 . 0 0 "[ . 1]" 1
1758 1 8 HIS HE1 1 10 LEU QD . . 3.180 2.957 2.907 3.009 . 0 0 "[ . 1]" 1
1759 1 9 VAL H 1 9 VAL QG . . 3.440 2.879 2.731 2.975 . 0 0 "[ . 1]" 1
1760 1 9 VAL HA 1 9 VAL QG . . 2.980 2.092 2.052 2.116 . 0 0 "[ . 1]" 1
1761 1 9 VAL HA 1 68 SER QB . . 3.750 1.980 1.931 2.097 . 0 0 "[ . 1]" 1
1762 1 9 VAL HB 1 64 VAL QG . . 5.440 4.176 3.774 4.443 . 0 0 "[ . 1]" 1
1763 1 9 VAL QG 1 10 LEU H . . 3.060 2.794 2.667 2.900 . 0 0 "[ . 1]" 1
1764 1 9 VAL QG 1 10 LEU QD . . 4.950 4.448 4.360 4.513 . 0 0 "[ . 1]" 1
1765 1 9 VAL QG 1 11 VAL H . . 5.240 3.995 3.742 4.164 . 0 0 "[ . 1]" 1
1766 1 9 VAL QG 1 42 ALA HA . . 5.160 3.406 3.201 3.534 . 0 0 "[ . 1]" 1
1767 1 9 VAL QG 1 45 ILE MD . . 3.210 2.052 1.889 2.207 . 0 0 "[ . 1]" 1
1768 1 9 VAL QG 1 60 PHE QD . . 4.920 3.849 3.733 4.029 . 0 0 "[ . 1]" 1
1769 1 9 VAL QG 1 60 PHE QE . . 4.630 2.524 2.334 2.804 . 0 0 "[ . 1]" 1
1770 1 9 VAL QG 1 60 PHE HZ . . 3.930 2.079 2.032 2.153 . 0 0 "[ . 1]" 1
1771 1 9 VAL QG 1 63 VAL HB . . 4.870 4.468 4.101 4.845 . 0 0 "[ . 1]" 1
1772 1 9 VAL QG 1 63 VAL MG2 . . 3.100 2.682 2.364 3.014 . 0 0 "[ . 1]" 1
1773 1 9 VAL QG 1 64 VAL H . . 4.050 3.884 3.757 3.926 . 0 0 "[ . 1]" 1
1774 1 9 VAL QG 1 64 VAL HA . . 3.000 1.906 1.862 1.941 . 0 0 "[ . 1]" 1
1775 1 9 VAL QG 1 64 VAL HB . . 4.610 3.838 3.022 4.168 . 0 0 "[ . 1]" 1
1776 1 9 VAL QG 1 64 VAL QG . . 2.940 2.037 1.714 2.263 . 0 0 "[ . 1]" 1
1777 1 9 VAL QG 1 67 PHE H . . 4.330 3.710 3.539 3.886 . 0 0 "[ . 1]" 1
1778 1 9 VAL QG 1 67 PHE HB2 . . 3.950 2.337 2.000 2.650 . 0 0 "[ . 1]" 1
1779 1 9 VAL QG 1 67 PHE HB3 . . 3.940 2.324 2.132 2.646 . 0 0 "[ . 1]" 1
1780 1 9 VAL QG 1 67 PHE QD . . 4.720 3.380 3.217 3.766 . 0 0 "[ . 1]" 1
1781 1 9 VAL QG 1 68 SER H . . 3.190 2.490 2.410 2.643 . 0 0 "[ . 1]" 1
1782 1 9 VAL QG 1 68 SER HA . . 4.190 2.265 2.168 2.392 . 0 0 "[ . 1]" 1
1783 1 9 VAL QG 1 68 SER QB . . 3.540 2.366 1.959 2.552 . 0 0 "[ . 1]" 1
1784 1 9 VAL MG1 1 68 SER HB3 . . 5.890 3.975 3.468 4.380 . 0 0 "[ . 1]" 1
1785 1 9 VAL MG2 1 68 SER HB3 . . 5.890 4.153 3.771 4.347 . 0 0 "[ . 1]" 1
1786 1 9 VAL QG 1 114 HIS HA . . 4.300 3.856 3.522 4.064 . 0 0 "[ . 1]" 1
1787 1 9 VAL QG 1 114 HIS HB2 . . 5.440 4.460 4.250 4.688 . 0 0 "[ . 1]" 1
1788 1 9 VAL QG 1 115 LEU HB2 . . 4.290 3.650 3.549 3.807 . 0 0 "[ . 1]" 1
1789 1 10 LEU H 1 10 LEU QD . . 4.520 3.786 3.775 3.806 . 0 0 "[ . 1]" 1
1790 1 10 LEU H 1 68 SER QB . . 3.740 2.574 2.490 2.651 . 0 0 "[ . 1]" 1
1791 1 10 LEU HB2 1 10 LEU QD . . 2.910 2.447 2.431 2.484 . 0 0 "[ . 1]" 1
1792 1 10 LEU QD 1 11 VAL H . . 3.670 2.090 1.990 2.173 . 0 0 "[ . 1]" 1
1793 1 10 LEU QD 1 11 VAL HA . . 4.760 3.413 3.335 3.476 . 0 0 "[ . 1]" 1
1794 1 10 LEU QD 1 11 VAL HB . . 4.910 4.612 4.314 4.902 . 0 0 "[ . 1]" 1
1795 1 10 LEU QD 1 11 VAL QG . . 4.140 3.465 3.320 3.607 . 0 0 "[ . 1]" 1
1796 1 10 LEU QD 1 12 LYS H . . 4.910 3.813 3.549 3.960 . 0 0 "[ . 1]" 1
1797 1 10 LEU QD 1 12 LYS HA . . 4.700 4.123 3.902 4.320 . 0 0 "[ . 1]" 1
1798 1 10 LEU QD 1 12 LYS QG . . 4.590 3.192 2.037 4.184 . 0 0 "[ . 1]" 1
1799 1 10 LEU QD 1 12 LYS QD . . 3.400 2.211 1.810 2.777 . 0 0 "[ . 1]" 1
1800 1 10 LEU QD 1 69 GLU H . . 4.830 3.356 3.197 3.564 . 0 0 "[ . 1]" 1
1801 1 10 LEU QD 1 69 GLU QB . . 4.850 3.281 3.047 4.018 . 0 0 "[ . 1]" 1
1802 1 10 LEU QD 1 70 CYS H . . 3.300 3.057 2.885 3.295 . 0 0 "[ . 1]" 1
1803 1 10 LEU QD 1 70 CYS HA . . 3.900 2.626 2.201 2.955 . 0 0 "[ . 1]" 1
1804 1 10 LEU QD 1 70 CYS HB2 . . 3.360 1.944 1.916 1.984 . 0 0 "[ . 1]" 1
1805 1 10 LEU QD 1 70 CYS HB3 . . 5.440 3.339 3.291 3.407 . 0 0 "[ . 1]" 1
1806 1 10 LEU QD 1 111 LEU HB2 . . 5.160 4.364 3.963 4.739 . 0 0 "[ . 1]" 1
1807 1 10 LEU QD 1 111 LEU HG . . 5.440 4.477 3.978 4.884 . 0 0 "[ . 1]" 1
1808 1 10 LEU QD 1 111 LEU MD1 . . 3.710 2.390 1.885 2.683 . 0 0 "[ . 1]" 1
1809 1 10 LEU QD 1 112 GLY H . . 4.930 4.522 4.172 4.753 . 0 0 "[ . 1]" 1
1810 1 10 LEU QD 1 112 GLY QA . . 4.260 3.207 3.077 3.353 . 0 0 "[ . 1]" 1
1811 1 10 LEU QD 1 113 VAL H . . 4.040 3.878 3.794 4.006 . 0 0 "[ . 1]" 1
1812 1 10 LEU QD 1 113 VAL QG . . 4.040 3.939 3.869 4.031 . 0 0 "[ . 1]" 1
1813 1 10 LEU QD 1 114 HIS HA . . 3.860 3.888 3.855 3.914 0.054 6 0 "[ . 1]" 1
1814 1 10 LEU QD 1 114 HIS HB2 . . 4.740 3.763 3.634 3.901 . 0 0 "[ . 1]" 1
1815 1 10 LEU QD 1 115 LEU H . . 5.440 5.318 5.249 5.382 . 0 0 "[ . 1]" 1
1816 1 11 VAL H 1 11 VAL QG . . 3.730 2.296 2.162 2.448 . 0 0 "[ . 1]" 1
1817 1 11 VAL H 1 12 LYS QD . . 5.340 4.180 3.517 4.794 . 0 0 "[ . 1]" 1
1818 1 11 VAL H 1 113 VAL QG . . 4.200 3.447 3.283 3.591 . 0 0 "[ . 1]" 1
1819 1 11 VAL HA 1 11 VAL QG . . 3.100 2.222 2.093 2.347 . 0 0 "[ . 1]" 1
1820 1 11 VAL HA 1 41 LEU QD . . 3.550 3.488 3.232 3.634 0.084 7 0 "[ . 1]" 1
1821 1 11 VAL QG 1 12 LYS H . . 3.850 3.122 2.721 3.419 . 0 0 "[ . 1]" 1
1822 1 11 VAL QG 1 13 HIS H . . 5.440 5.436 5.305 5.543 0.103 8 0 "[ . 1]" 1
1823 1 11 VAL QG 1 13 HIS HB3 . . 5.440 5.286 4.715 5.613 0.173 2 0 "[ . 1]" 1
1824 1 11 VAL QG 1 38 ALA HA . . 3.300 2.532 1.861 3.306 0.006 8 0 "[ . 1]" 1
1825 1 11 VAL QG 1 38 ALA MB . . 3.060 2.615 2.497 2.740 . 0 0 "[ . 1]" 1
1826 1 11 VAL QG 1 40 ASN H . . 5.440 5.241 5.008 5.478 0.038 9 0 "[ . 1]" 1
1827 1 11 VAL QG 1 41 LEU H . . 4.090 3.773 3.397 4.156 0.066 9 0 "[ . 1]" 1
1828 1 11 VAL QG 1 41 LEU HB2 . . 4.440 2.511 1.944 3.159 . 0 0 "[ . 1]" 1
1829 1 11 VAL QG 1 41 LEU HB3 . . 3.280 2.051 1.993 2.090 . 0 0 "[ . 1]" 1
1830 1 11 VAL QG 1 41 LEU HG . . 3.650 3.504 3.289 3.694 0.044 8 0 "[ . 1]" 1
1831 1 11 VAL QG 1 41 LEU QD . . 3.600 2.064 1.748 2.505 . 0 0 "[ . 1]" 1
1832 1 11 VAL QG 1 42 ALA H . . 3.180 2.725 2.583 2.848 . 0 0 "[ . 1]" 1
1833 1 11 VAL QG 1 42 ALA HA . . 3.520 3.268 3.047 3.424 . 0 0 "[ . 1]" 1
1834 1 11 VAL QG 1 42 ALA MB . . 4.230 2.309 2.198 2.405 . 0 0 "[ . 1]" 1
1835 1 11 VAL QG 1 43 GLN H . . 5.440 4.621 4.540 4.687 . 0 0 "[ . 1]" 1
1836 1 11 VAL QG 1 67 PHE HB2 . . 4.520 4.300 4.095 4.531 0.011 6 0 "[ . 1]" 1
1837 1 11 VAL QG 1 67 PHE HB3 . . 4.300 3.126 2.889 3.401 . 0 0 "[ . 1]" 1
1838 1 11 VAL QG 1 67 PHE QD . . 3.770 3.415 3.217 3.677 . 0 0 "[ . 1]" 1
1839 1 11 VAL QG 1 113 VAL H . . 4.710 3.968 3.380 4.598 . 0 0 "[ . 1]" 1
1840 1 11 VAL QG 1 113 VAL QG . . 3.660 2.294 1.755 2.922 . 0 0 "[ . 1]" 1
1841 1 11 VAL QG 1 114 HIS H . . 5.440 4.460 4.044 4.957 . 0 0 "[ . 1]" 1
1842 1 12 LYS H 1 12 LYS QG . . 3.900 2.741 2.208 3.211 . 0 0 "[ . 1]" 1
1843 1 12 LYS H 1 12 LYS QD . . 3.440 2.514 2.040 3.367 . 0 0 "[ . 1]" 1
1844 1 12 LYS H 1 41 LEU QD . . 4.240 4.079 3.836 4.282 0.042 3 0 "[ . 1]" 1
1845 1 12 LYS H 1 69 GLU QB . . 5.210 3.900 3.592 4.378 . 0 0 "[ . 1]" 1
1846 1 12 LYS HA 1 12 LYS QG . . 3.740 3.024 2.485 3.435 . 0 0 "[ . 1]" 1
1847 1 12 LYS QB 1 13 HIS H . . 3.520 2.063 1.927 2.271 . 0 0 "[ . 1]" 1
1848 1 12 LYS QB 1 16 VAL MG1 . . 3.660 2.410 2.222 2.594 . 0 0 "[ . 1]" 1
1849 1 12 LYS QB 1 16 VAL MG2 . . 4.010 2.715 2.546 2.840 . 0 0 "[ . 1]" 1
1850 1 12 LYS QD 1 12 LYS QG . . 2.330 2.030 2.006 2.065 . 0 0 "[ . 1]" 1
1851 1 12 LYS QG 1 16 VAL MG1 . . 4.520 3.795 3.551 4.037 . 0 0 "[ . 1]" 1
1852 1 12 LYS QG 1 69 GLU QB . . 5.180 3.940 2.799 4.341 . 0 0 "[ . 1]" 1
1853 1 12 LYS QD 1 69 GLU QB . . 4.200 2.578 2.034 4.229 0.029 5 0 "[ . 1]" 1
1854 1 12 LYS QD 1 69 GLU QG . . 5.180 3.048 1.865 5.188 0.008 5 0 "[ . 1]" 1
1855 1 13 HIS H 1 112 GLY QA . . 5.340 4.843 4.495 5.115 . 0 0 "[ . 1]" 1
1856 1 13 HIS HA 1 33 ARG QB . . 4.290 2.684 2.222 3.576 . 0 0 "[ . 1]" 1
1857 1 13 HIS HB2 1 33 ARG QB . . 5.210 4.436 4.268 4.974 . 0 0 "[ . 1]" 1
1858 1 13 HIS HB3 1 33 ARG QB . . 4.780 3.848 3.565 4.390 . 0 0 "[ . 1]" 1
1859 1 14 LYS H 1 14 LYS QB . . 3.520 2.238 2.156 2.392 . 0 0 "[ . 1]" 1
1860 1 14 LYS H 1 14 LYS QG . . 4.400 3.439 2.485 4.038 . 0 0 "[ . 1]" 1
1861 1 14 LYS H 1 14 LYS QD . . 5.180 4.482 4.203 4.698 . 0 0 "[ . 1]" 1
1862 1 14 LYS HA 1 14 LYS QG . . 3.580 2.401 2.118 3.396 . 0 0 "[ . 1]" 1
1863 1 14 LYS HA 1 14 LYS QD . . 3.670 3.427 2.546 3.682 0.012 7 0 "[ . 1]" 1
1864 1 14 LYS HA 1 14 LYS QE . . 4.790 4.068 2.844 4.546 . 0 0 "[ . 1]" 1
1865 1 14 LYS QB 1 14 LYS QE . . 3.800 2.372 2.061 3.014 . 0 0 "[ . 1]" 1
1866 1 14 LYS QE 1 14 LYS QG . . 3.340 2.142 1.929 2.239 . 0 0 "[ . 1]" 1
1867 1 14 LYS QG 1 15 ASP H . . 4.870 4.255 2.776 4.579 . 0 0 "[ . 1]" 1
1868 1 14 LYS QG 1 19 PRO HB2 . . 5.340 3.442 2.721 5.393 0.053 7 0 "[ . 1]" 1
1869 1 14 LYS QG 1 19 PRO HG3 . . 5.340 3.797 2.963 5.356 0.016 7 0 "[ . 1]" 1
1870 1 14 LYS QD 1 14 LYS QE . . 2.370 2.072 2.037 2.090 . 0 0 "[ . 1]" 1
1871 1 16 VAL MG1 1 112 GLY QA . . 4.710 3.339 3.146 3.513 . 0 0 "[ . 1]" 1
1872 1 17 ARG H 1 17 ARG QD . . 3.500 3.093 2.859 3.506 0.006 3 0 "[ . 1]" 1
1873 1 17 ARG HA 1 17 ARG QG . . 3.170 2.200 2.054 2.435 . 0 0 "[ . 1]" 1
1874 1 17 ARG HA 1 17 ARG QD . . 3.660 2.717 2.094 3.184 . 0 0 "[ . 1]" 1
1875 1 17 ARG HB2 1 17 ARG QD . . 2.930 2.210 1.991 3.039 0.109 5 0 "[ . 1]" 1
1876 1 18 ARG QB 1 18 ARG QD . . 2.950 2.228 2.027 2.484 . 0 0 "[ . 1]" 1
1877 1 20 SER H 1 20 SER QB . . 3.620 3.114 2.701 3.317 . 0 0 "[ . 1]" 1
1878 1 20 SER HA 1 30 LYS QG . . 5.340 4.547 4.063 5.175 . 0 0 "[ . 1]" 1
1879 1 20 SER QB 1 21 SER H . . 3.480 2.811 2.513 3.455 . 0 0 "[ . 1]" 1
1880 1 20 SER QB 1 29 GLU H . . 5.340 4.317 3.901 5.127 . 0 0 "[ . 1]" 1
1881 1 20 SER QB 1 30 LYS HA . . 3.540 3.004 2.559 3.314 . 0 0 "[ . 1]" 1
1882 1 20 SER QB 1 30 LYS QG . . 4.600 3.683 2.965 4.461 . 0 0 "[ . 1]" 1
1883 1 20 SER QB 1 31 ILE H . . 4.420 4.301 3.832 4.430 0.010 2 0 "[ . 1]" 1
1884 1 20 SER QB 1 31 ILE HG12 . . 5.340 4.316 3.871 4.622 . 0 0 "[ . 1]" 1
1885 1 21 SER QB 1 23 ALA H . . 4.060 3.781 3.288 4.097 0.037 5 0 "[ . 1]" 1
1886 1 21 SER QB 1 23 ALA MB . . 3.870 3.419 2.732 3.774 . 0 0 "[ . 1]" 1
1887 1 21 SER QB 1 26 ASN HD21 . . 4.490 2.974 2.747 3.098 . 0 0 "[ . 1]" 1
1888 1 21 SER QB 1 26 ASN HD22 . . 4.440 4.124 1.924 4.453 0.013 1 0 "[ . 1]" 1
1889 1 21 SER QB 1 29 GLU H . . 4.890 4.753 4.583 4.903 0.013 9 0 "[ . 1]" 1
1890 1 21 SER QB 1 29 GLU HB3 . . 4.260 4.179 3.959 4.281 0.021 5 0 "[ . 1]" 1
1891 1 21 SER QB 1 31 ILE HG12 . . 4.030 3.221 2.778 3.737 . 0 0 "[ . 1]" 1
1892 1 21 SER QB 1 31 ILE HG13 . . 4.370 3.026 2.646 3.611 . 0 0 "[ . 1]" 1
1893 1 21 SER QB 1 31 ILE MD . . 3.750 1.948 1.837 2.095 . 0 0 "[ . 1]" 1
1894 1 22 LEU H 1 22 LEU QB . . 3.300 2.323 2.223 2.463 . 0 0 "[ . 1]" 1
1895 1 22 LEU H 1 22 LEU QD . . 3.720 3.134 2.191 3.549 . 0 0 "[ . 1]" 1
1896 1 22 LEU QB 1 22 LEU QD . . 2.740 1.810 1.733 1.913 . 0 0 "[ . 1]" 1
1897 1 22 LEU QD 1 23 ALA H . . 5.390 4.373 4.079 4.612 . 0 0 "[ . 1]" 1
1898 1 22 LEU QD 1 28 GLY H . . 4.760 3.601 2.718 4.658 . 0 0 "[ . 1]" 1
1899 1 23 ALA HA 1 24 PRO QD . . 3.230 2.166 2.149 2.176 . 0 0 "[ . 1]" 1
1900 1 23 ALA MB 1 24 PRO QD . . 3.310 1.996 1.921 2.053 . 0 0 "[ . 1]" 1
1901 1 23 ALA MB 1 26 ASN QB . . 4.300 2.559 2.262 3.767 . 0 0 "[ . 1]" 1
1902 1 24 PRO HB2 1 25 ARG QD . . 3.800 3.301 2.698 3.965 0.165 1 0 "[ . 1]" 1
1903 1 24 PRO QD 1 73 ALA MB . . 3.070 2.488 1.936 2.860 . 0 0 "[ . 1]" 1
1904 1 24 PRO QD 1 74 LYS H . . 5.350 3.997 3.213 4.866 . 0 0 "[ . 1]" 1
1905 1 25 ARG H 1 25 ARG QG . . 3.340 2.621 2.159 3.354 0.014 8 0 "[ . 1]" 1
1906 1 25 ARG H 1 25 ARG QD . . 3.980 3.292 2.158 3.975 . 0 0 "[ . 1]" 1
1907 1 25 ARG HA 1 25 ARG QG . . 3.230 2.833 2.238 3.104 . 0 0 "[ . 1]" 1
1908 1 25 ARG HA 1 25 ARG QD . . 4.210 2.656 2.034 3.887 . 0 0 "[ . 1]" 1
1909 1 26 ASN H 1 27 LYS QB . . 4.980 4.176 3.972 4.393 . 0 0 "[ . 1]" 1
1910 1 26 ASN QB 1 26 ASN HD22 . . 3.560 3.218 3.214 3.250 . 0 0 "[ . 1]" 1
1911 1 26 ASN QB 1 27 LYS H . . 4.050 3.857 3.757 4.050 0.000 5 0 "[ . 1]" 1
1912 1 26 ASN QB 1 27 LYS HA . . 5.340 4.408 4.323 4.951 . 0 0 "[ . 1]" 1
1913 1 26 ASN QB 1 29 GLU H . . 5.340 4.062 3.856 4.231 . 0 0 "[ . 1]" 1
1914 1 26 ASN QB 1 29 GLU HB2 . . 4.520 3.327 2.114 3.659 . 0 0 "[ . 1]" 1
1915 1 26 ASN QB 1 29 GLU HB3 . . 4.370 3.060 2.295 3.322 . 0 0 "[ . 1]" 1
1916 1 26 ASN QB 1 31 ILE MD . . 5.340 3.930 3.659 4.511 . 0 0 "[ . 1]" 1
1917 1 27 LYS H 1 27 LYS QB . . 2.810 2.265 2.069 2.646 . 0 0 "[ . 1]" 1
1918 1 27 LYS H 1 27 LYS QG . . 3.950 3.209 1.914 3.962 0.012 6 0 "[ . 1]" 1
1919 1 27 LYS HA 1 27 LYS QG . . 3.450 2.537 2.063 3.326 . 0 0 "[ . 1]" 1
1920 1 27 LYS QB 1 28 GLY H . . 4.290 3.464 3.134 3.789 . 0 0 "[ . 1]" 1
1921 1 27 LYS QG 1 28 GLY H . . 4.630 3.439 2.655 4.373 . 0 0 "[ . 1]" 1
1922 1 29 GLU H 1 29 GLU QG . . 4.730 4.080 4.030 4.128 . 0 0 "[ . 1]" 1
1923 1 29 GLU HA 1 29 GLU QG . . 3.290 2.449 2.126 2.694 . 0 0 "[ . 1]" 1
1924 1 29 GLU HA 1 30 LYS QG . . 3.730 3.487 3.365 3.623 . 0 0 "[ . 1]" 1
1925 1 29 GLU HB3 1 29 GLU QG . . 2.620 2.148 2.128 2.164 . 0 0 "[ . 1]" 1
1926 1 29 GLU HB3 1 30 LYS QG . . 5.340 5.242 5.038 5.347 0.007 3 0 "[ . 1]" 1
1927 1 29 GLU QG 1 30 LYS H . . 3.380 2.422 1.959 2.967 . 0 0 "[ . 1]" 1
1928 1 30 LYS H 1 30 LYS QG . . 3.290 2.190 1.934 2.589 . 0 0 "[ . 1]" 1
1929 1 30 LYS QE 1 30 LYS QG . . 3.090 2.192 2.014 2.363 . 0 0 "[ . 1]" 1
1930 1 31 ILE MD 1 33 ARG QB . . 5.340 4.786 4.635 5.023 . 0 0 "[ . 1]" 1
1931 1 32 THR H 1 33 ARG QB . . 4.850 4.533 4.277 4.820 . 0 0 "[ . 1]" 1
1932 1 32 THR H 1 33 ARG QD . . 5.340 4.322 3.035 5.332 . 0 0 "[ . 1]" 1
1933 1 33 ARG H 1 33 ARG QB . . 3.280 2.428 2.283 2.787 . 0 0 "[ . 1]" 1
1934 1 33 ARG H 1 33 ARG QG . . 4.510 3.402 1.910 4.213 . 0 0 "[ . 1]" 1
1935 1 33 ARG QB 1 34 SER H . . 3.670 2.634 2.088 3.377 . 0 0 "[ . 1]" 1
1936 1 33 ARG QB 1 37 ASP QB . . 4.220 2.694 2.232 3.677 . 0 0 "[ . 1]" 1
1937 1 33 ARG QG 1 34 SER H . . 4.420 3.392 2.368 4.312 . 0 0 "[ . 1]" 1
1938 1 33 ARG QD 1 34 SER H . . 4.960 4.058 2.936 4.845 . 0 0 "[ . 1]" 1
1939 1 34 SER QB 1 35 ARG H . . 3.480 2.519 2.394 2.598 . 0 0 "[ . 1]" 1
1940 1 34 SER QB 1 35 ARG QG . . 4.680 3.838 3.066 4.508 . 0 0 "[ . 1]" 1
1941 1 34 SER QB 1 36 ALA MB . . 4.400 3.712 3.602 3.867 . 0 0 "[ . 1]" 1
1942 1 34 SER QB 1 37 ASP H . . 4.560 3.810 3.747 3.878 . 0 0 "[ . 1]" 1
1943 1 35 ARG H 1 35 ARG QG . . 3.750 2.655 1.933 3.296 . 0 0 "[ . 1]" 1
1944 1 35 ARG HA 1 35 ARG QG . . 3.490 3.381 3.312 3.436 . 0 0 "[ . 1]" 1
1945 1 35 ARG HA 1 35 ARG QD . . 4.290 3.929 3.637 4.321 0.031 5 0 "[ . 1]" 1
1946 1 35 ARG HA 1 39 ILE QG . . 5.340 5.360 5.343 5.392 0.052 2 0 "[ . 1]" 1
1947 1 35 ARG HB2 1 35 ARG QD . . 3.440 2.755 1.972 3.539 0.099 2 0 "[ . 1]" 1
1948 1 35 ARG HB3 1 35 ARG QD . . 3.420 2.798 2.182 3.350 . 0 0 "[ . 1]" 1
1949 1 35 ARG QG 1 36 ALA H . . 3.120 2.205 1.918 2.481 . 0 0 "[ . 1]" 1
1950 1 35 ARG QG 1 36 ALA HA . . 4.480 3.580 3.070 4.179 . 0 0 "[ . 1]" 1
1951 1 35 ARG QD 1 36 ALA H . . 3.340 2.449 1.917 3.238 . 0 0 "[ . 1]" 1
1952 1 35 ARG QD 1 36 ALA HA . . 4.880 3.793 2.738 4.235 . 0 0 "[ . 1]" 1
1953 1 35 ARG QD 1 36 ALA MB . . 5.340 3.072 2.570 3.442 . 0 0 "[ . 1]" 1
1954 1 35 ARG QD 1 39 ILE MD . . 5.060 4.108 2.822 4.853 . 0 0 "[ . 1]" 1
1955 1 36 ALA H 1 37 ASP QB . . 5.340 4.330 4.258 4.438 . 0 0 "[ . 1]" 1
1956 1 36 ALA HA 1 39 ILE QG . . 4.930 4.712 4.502 4.948 0.018 2 0 "[ . 1]" 1
1957 1 37 ASP H 1 37 ASP QB . . 3.190 2.190 2.087 2.299 . 0 0 "[ . 1]" 1
1958 1 37 ASP QB 1 38 ALA H . . 3.370 3.014 2.884 3.091 . 0 0 "[ . 1]" 1
1959 1 37 ASP QB 1 38 ALA MB . . 4.430 4.000 3.898 4.059 . 0 0 "[ . 1]" 1
1960 1 37 ASP QB 1 39 ILE H . . 5.340 5.111 4.912 5.268 . 0 0 "[ . 1]" 1
1961 1 38 ALA HA 1 41 LEU QD . . 3.690 2.875 2.690 3.067 . 0 0 "[ . 1]" 1
1962 1 39 ILE H 1 39 ILE QG . . 3.280 2.615 2.452 2.723 . 0 0 "[ . 1]" 1
1963 1 39 ILE HA 1 39 ILE QG . . 3.550 2.323 2.287 2.369 . 0 0 "[ . 1]" 1
1964 1 39 ILE QG 1 40 ASN H . . 4.920 4.207 4.153 4.246 . 0 0 "[ . 1]" 1
1965 1 39 ILE QG 1 43 GLN HG3 . . 5.340 4.693 4.620 4.790 . 0 0 "[ . 1]" 1
1966 1 41 LEU H 1 41 LEU QD . . 3.160 2.684 2.600 3.053 . 0 0 "[ . 1]" 1
1967 1 41 LEU QD 1 45 ILE MD . . 5.260 4.167 3.700 4.296 . 0 0 "[ . 1]" 1
1968 1 41 LEU QD 1 67 PHE HB2 . . 5.440 4.626 3.779 4.779 . 0 0 "[ . 1]" 1
1969 1 41 LEU QD 1 67 PHE HB3 . . 4.600 3.320 2.271 3.511 . 0 0 "[ . 1]" 1
1970 1 41 LEU QD 1 67 PHE QD . . 3.680 3.052 2.626 3.154 . 0 0 "[ . 1]" 1
1971 1 41 LEU QD 1 67 PHE QE . . 4.300 3.196 3.006 3.679 . 0 0 "[ . 1]" 1
1972 1 42 ALA HA 1 115 LEU QD . . 4.140 2.508 2.281 2.838 . 0 0 "[ . 1]" 1
1973 1 42 ALA MB 1 46 LEU QD . . 4.520 3.757 3.233 4.118 . 0 0 "[ . 1]" 1
1974 1 42 ALA MB 1 103 VAL QG . . 5.440 5.168 4.929 5.414 . 0 0 "[ . 1]" 1
1975 1 42 ALA MB 1 115 LEU QD . . 2.550 1.815 1.659 2.108 . 0 0 "[ . 1]" 1
1976 1 45 ILE H 1 48 GLN QG . . 5.340 5.231 4.011 5.386 0.046 6 0 "[ . 1]" 1
1977 1 45 ILE HA 1 48 GLN QB . . 4.150 2.081 1.972 2.751 . 0 0 "[ . 1]" 1
1978 1 45 ILE MG 1 48 GLN QG . . 4.700 4.566 3.720 4.732 0.032 2 0 "[ . 1]" 1
1979 1 45 ILE MG 1 103 VAL QG . . 5.030 3.564 3.381 3.849 . 0 0 "[ . 1]" 1
1980 1 45 ILE HG13 1 48 GLN QB . . 4.970 4.546 4.421 5.036 0.066 8 0 "[ . 1]" 1
1981 1 45 ILE MD 1 46 LEU QD . . 5.440 4.301 3.633 4.963 . 0 0 "[ . 1]" 1
1982 1 45 ILE MD 1 68 SER QB . . 5.340 5.069 4.825 5.214 . 0 0 "[ . 1]" 1
1983 1 46 LEU H 1 46 LEU QD . . 3.910 2.818 2.200 3.423 . 0 0 "[ . 1]" 1
1984 1 46 LEU HA 1 46 LEU QD . . 3.090 2.071 1.983 2.171 . 0 0 "[ . 1]" 1
1985 1 46 LEU HA 1 103 VAL QG . . 4.830 3.678 3.477 3.876 . 0 0 "[ . 1]" 1
1986 1 46 LEU HB2 1 103 VAL QG . . 5.440 4.744 4.418 5.088 . 0 0 "[ . 1]" 1
1987 1 46 LEU HB2 1 115 LEU QD . . 4.510 3.789 3.523 4.257 . 0 0 "[ . 1]" 1
1988 1 46 LEU HG 1 103 VAL QG . . 3.750 3.128 2.719 3.449 . 0 0 "[ . 1]" 1
1989 1 46 LEU HG 1 115 LEU QD . . 3.980 2.992 2.204 3.891 . 0 0 "[ . 1]" 1
1990 1 46 LEU QD 1 55 TRP HD1 . . 5.210 3.793 3.130 4.881 . 0 0 "[ . 1]" 1
1991 1 46 LEU QD 1 55 TRP HZ2 . . 2.940 2.899 2.780 2.962 0.022 10 0 "[ . 1]" 1
1992 1 46 LEU QD 1 103 VAL QG . . 2.600 1.876 1.668 2.203 . 0 0 "[ . 1]" 1
1993 1 46 LEU QD 1 115 LEU HB2 . . 5.440 4.152 3.497 4.785 . 0 0 "[ . 1]" 1
1994 1 48 GLN H 1 48 GLN QB . . 2.930 2.085 2.046 2.299 . 0 0 "[ . 1]" 1
1995 1 48 GLN H 1 48 GLN QG . . 3.800 3.516 2.501 3.696 . 0 0 "[ . 1]" 1
1996 1 48 GLN HA 1 48 GLN QG . . 3.230 2.232 2.224 2.261 . 0 0 "[ . 1]" 1
1997 1 48 GLN QB 1 48 GLN HE21 . . 3.540 2.443 2.284 3.488 . 0 0 "[ . 1]" 1
1998 1 48 GLN QB 1 48 GLN HE22 . . 4.260 3.473 3.401 3.949 . 0 0 "[ . 1]" 1
1999 1 48 GLN QB 1 55 TRP HH2 . . 3.740 2.694 2.550 2.766 . 0 0 "[ . 1]" 1
2000 1 48 GLN QG 1 49 HIS H . . 4.780 4.464 4.364 4.522 . 0 0 "[ . 1]" 1
2001 1 48 GLN QG 1 50 LYS H . . 5.340 5.360 5.218 5.455 0.115 6 0 "[ . 1]" 1
2002 1 48 GLN QG 1 63 VAL MG1 . . 4.680 3.889 3.651 4.083 . 0 0 "[ . 1]" 1
2003 1 49 HIS H 1 49 HIS QB . . 3.320 2.681 2.523 2.747 . 0 0 "[ . 1]" 1
2004 1 49 HIS QB 1 52 ARG H . . 5.340 5.247 4.728 5.453 0.113 1 0 "[ . 1]" 1
2005 1 49 HIS QB 1 54 THR H . . 4.610 4.179 3.806 4.604 . 0 0 "[ . 1]" 1
2006 1 49 HIS QB 1 55 TRP HE3 . . 4.580 3.812 3.476 4.207 . 0 0 "[ . 1]" 1
2007 1 49 HIS QB 1 55 TRP HZ3 . . 4.490 3.400 3.265 3.569 . 0 0 "[ . 1]" 1
2008 1 49 HIS QB 1 55 TRP HZ2 . . 5.220 4.279 4.032 4.438 . 0 0 "[ . 1]" 1
2009 1 49 HIS QB 1 55 TRP HH2 . . 4.260 3.635 3.531 3.703 . 0 0 "[ . 1]" 1
2010 1 49 HIS HD2 1 52 ARG QB . . 5.300 3.986 2.440 4.971 . 0 0 "[ . 1]" 1
2011 1 49 HIS HD2 1 52 ARG QG . . 5.340 4.242 3.284 5.350 0.010 10 0 "[ . 1]" 1
2012 1 50 LYS H 1 50 LYS QB . . 2.820 2.204 2.054 2.321 . 0 0 "[ . 1]" 1
2013 1 50 LYS HA 1 52 ARG QD . . 5.340 5.223 4.863 5.425 0.085 6 0 "[ . 1]" 1
2014 1 50 LYS QB 1 51 GLU H . . 3.670 2.438 2.310 2.795 . 0 0 "[ . 1]" 1
2015 1 50 LYS HG2 1 51 GLU QG . . 5.340 4.408 3.943 5.000 . 0 0 "[ . 1]" 1
2016 1 51 GLU H 1 51 GLU QG . . 3.400 3.017 2.729 3.417 0.017 1 0 "[ . 1]" 1
2017 1 51 GLU H 1 52 ARG QD . . 5.340 5.022 4.517 5.361 0.021 7 0 "[ . 1]" 1
2018 1 51 GLU HA 1 51 GLU QG . . 3.430 2.338 2.070 2.585 . 0 0 "[ . 1]" 1
2019 1 51 GLU HA 1 52 ARG QD . . 5.340 4.639 4.019 5.096 . 0 0 "[ . 1]" 1
2020 1 51 GLU QB 1 52 ARG QD . . 4.570 2.777 2.235 3.190 . 0 0 "[ . 1]" 1
2021 1 52 ARG H 1 52 ARG QB . . 3.380 3.060 2.715 3.367 . 0 0 "[ . 1]" 1
2022 1 52 ARG H 1 52 ARG QG . . 4.190 3.094 2.512 4.049 . 0 0 "[ . 1]" 1
2023 1 52 ARG H 1 52 ARG QD . . 4.160 3.735 3.271 4.072 . 0 0 "[ . 1]" 1
2024 1 52 ARG QB 1 52 ARG QD . . 2.990 2.188 2.064 2.393 . 0 0 "[ . 1]" 1
2025 1 52 ARG QB 1 54 THR H . . 3.810 3.472 3.167 3.811 0.001 7 0 "[ . 1]" 1
2026 1 52 ARG QB 1 54 THR HB . . 4.750 3.776 3.517 4.794 0.044 6 0 "[ . 1]" 1
2027 1 53 LYS H 1 53 LYS QB . . 3.430 2.508 2.195 3.193 . 0 0 "[ . 1]" 1
2028 1 53 LYS H 1 53 LYS QG . . 3.750 2.676 2.118 3.425 . 0 0 "[ . 1]" 1
2029 1 53 LYS QB 1 54 THR HG1 . . 4.240 3.940 3.763 4.156 . 0 0 "[ . 1]" 1
2030 1 55 TRP H 1 103 VAL QG . . 5.440 5.570 5.511 5.628 0.188 1 0 "[ . 1]" 1
2031 1 55 TRP HB2 1 103 VAL QG . . 4.550 3.731 3.648 3.770 . 0 0 "[ . 1]" 1
2032 1 55 TRP HB3 1 103 VAL QG . . 4.390 3.354 3.266 3.419 . 0 0 "[ . 1]" 1
2033 1 55 TRP HD1 1 103 VAL QG . . 3.250 2.556 2.505 2.621 . 0 0 "[ . 1]" 1
2034 1 55 TRP HZ2 1 103 VAL QG . . 4.420 3.472 3.343 3.786 . 0 0 "[ . 1]" 1
2035 1 57 LEU H 1 119 VAL QG . . 5.440 5.497 5.452 5.552 0.112 10 0 "[ . 1]" 1
2036 1 57 LEU HA 1 119 VAL QG . . 4.580 4.263 4.210 4.443 . 0 0 "[ . 1]" 1
2037 1 57 LEU HG 1 119 VAL QG . . 3.260 2.076 1.870 2.243 . 0 0 "[ . 1]" 1
2038 1 57 LEU MD1 1 61 VAL QG . . 3.060 1.887 1.832 2.025 . 0 0 "[ . 1]" 1
2039 1 57 LEU MD2 1 61 VAL QG . . 2.950 1.945 1.910 2.025 . 0 0 "[ . 1]" 1
2040 1 57 LEU MD2 1 119 VAL QG . . 3.500 1.950 1.887 2.070 . 0 0 "[ . 1]" 1
2041 1 58 ASP H 1 61 VAL QG . . 3.850 3.689 3.566 3.786 . 0 0 "[ . 1]" 1
2042 1 58 ASP HA 1 61 VAL QG . . 3.510 2.082 1.948 2.271 . 0 0 "[ . 1]" 1
2043 1 58 ASP HB2 1 61 VAL QG . . 4.180 4.056 3.868 4.179 . 0 0 "[ . 1]" 1
2044 1 58 ASP HB3 1 61 VAL QG . . 5.440 4.571 4.222 4.771 . 0 0 "[ . 1]" 1
2045 1 59 GLU H 1 61 VAL QG . . 4.360 4.086 3.727 4.263 . 0 0 "[ . 1]" 1
2046 1 59 GLU HA 1 62 GLN QB . . 3.810 3.192 2.783 3.423 . 0 0 "[ . 1]" 1
2047 1 60 PHE H 1 61 VAL QG . . 3.990 3.532 3.407 3.577 . 0 0 "[ . 1]" 1
2048 1 60 PHE HA 1 103 VAL QG . . 5.440 5.450 5.423 5.471 0.031 10 0 "[ . 1]" 1
2049 1 60 PHE HB2 1 103 VAL QG . . 4.650 4.238 4.166 4.273 . 0 0 "[ . 1]" 1
2050 1 60 PHE HB3 1 61 VAL QG . . 3.390 3.276 3.150 3.641 0.251 7 0 "[ . 1]" 1
2051 1 60 PHE HB3 1 103 VAL QG . . 5.150 5.088 4.988 5.174 0.024 10 0 "[ . 1]" 1
2052 1 60 PHE QD 1 61 VAL QG . . 5.010 3.619 3.380 4.233 . 0 0 "[ . 1]" 1
2053 1 60 PHE QD 1 64 VAL QG . . 4.310 2.689 2.454 3.326 . 0 0 "[ . 1]" 1
2054 1 60 PHE QD 1 103 VAL QG . . 3.880 3.662 3.508 3.750 . 0 0 "[ . 1]" 1
2055 1 60 PHE HZ 1 64 VAL QG . . 5.310 3.190 2.991 3.317 . 0 0 "[ . 1]" 1
2056 1 60 PHE HZ 1 103 VAL QG . . 4.830 3.933 3.721 4.132 . 0 0 "[ . 1]" 1
2057 1 60 PHE HZ 1 115 LEU QD . . 5.440 3.954 3.745 4.215 . 0 0 "[ . 1]" 1
2058 1 61 VAL H 1 61 VAL QG . . 3.050 2.004 1.976 2.064 . 0 0 "[ . 1]" 1
2059 1 61 VAL HA 1 61 VAL QG . . 2.570 2.179 2.123 2.403 . 0 0 "[ . 1]" 1
2060 1 61 VAL HA 1 64 VAL QG . . 3.120 1.936 1.876 1.955 . 0 0 "[ . 1]" 1
2061 1 61 VAL QG 1 62 GLN H . . 4.140 3.128 2.052 3.437 . 0 0 "[ . 1]" 1
2062 1 61 VAL QG 1 63 VAL H . . 5.440 4.609 4.128 4.751 . 0 0 "[ . 1]" 1
2063 1 61 VAL QG 1 117 TYR QE . . 4.980 4.779 4.655 5.138 0.158 6 0 "[ . 1]" 1
2064 1 62 GLN H 1 62 GLN QB . . 2.710 2.220 2.118 2.388 . 0 0 "[ . 1]" 1
2065 1 62 GLN H 1 62 GLN QG . . 3.110 2.774 2.396 3.022 . 0 0 "[ . 1]" 1
2066 1 62 GLN HA 1 62 GLN QB . . 2.620 2.462 2.387 2.507 . 0 0 "[ . 1]" 1
2067 1 62 GLN HA 1 62 GLN QG . . 3.240 2.580 2.361 2.677 . 0 0 "[ . 1]" 1
2068 1 62 GLN HA 1 65 ARG QG . . 3.940 2.976 2.364 3.254 . 0 0 "[ . 1]" 1
2069 1 62 GLN QB 1 62 GLN HE21 . . 3.780 3.086 2.270 3.755 . 0 0 "[ . 1]" 1
2070 1 62 GLN QB 1 63 VAL H . . 3.010 2.655 2.570 2.717 . 0 0 "[ . 1]" 1
2071 1 62 GLN QB 1 65 ARG QD . . 5.180 4.884 4.332 5.194 0.014 5 0 "[ . 1]" 1
2072 1 62 GLN HE21 1 62 GLN QG . . 2.790 2.257 2.091 2.431 . 0 0 "[ . 1]" 1
2073 1 62 GLN QG 1 63 VAL H . . 4.440 4.297 4.065 4.404 . 0 0 "[ . 1]" 1
2074 1 63 VAL H 1 65 ARG QG . . 5.190 4.773 4.267 5.073 . 0 0 "[ . 1]" 1
2075 1 63 VAL MG2 1 103 VAL QG . . 5.330 4.966 4.840 5.259 . 0 0 "[ . 1]" 1
2076 1 64 VAL H 1 64 VAL QG . . 2.860 2.350 2.264 2.416 . 0 0 "[ . 1]" 1
2077 1 64 VAL HA 1 64 VAL QG . . 2.870 2.108 2.050 2.170 . 0 0 "[ . 1]" 1
2078 1 64 VAL HA 1 68 SER QB . . 3.730 3.136 3.069 3.273 . 0 0 "[ . 1]" 1
2079 1 64 VAL QG 1 65 ARG H . . 2.990 2.711 1.965 2.981 . 0 0 "[ . 1]" 1
2080 1 64 VAL QG 1 65 ARG HA . . 3.130 3.139 3.077 3.179 0.049 7 0 "[ . 1]" 1
2081 1 64 VAL QG 1 65 ARG QG . . 4.850 3.923 3.077 4.279 . 0 0 "[ . 1]" 1
2082 1 64 VAL QG 1 68 SER H . . 4.820 3.602 3.390 3.763 . 0 0 "[ . 1]" 1
2083 1 64 VAL QG 1 68 SER QB . . 3.060 2.366 2.214 2.516 . 0 0 "[ . 1]" 1
2084 1 64 VAL QG 1 77 GLY QA . . 3.450 2.023 1.912 2.272 . 0 0 "[ . 1]" 1
2085 1 64 VAL QG 1 78 ASP H . . 4.300 3.796 3.521 4.256 . 0 0 "[ . 1]" 1
2086 1 64 VAL QG 1 78 ASP HA . . 3.740 3.392 3.086 3.799 0.059 7 0 "[ . 1]" 1
2087 1 65 ARG H 1 65 ARG QG . . 3.390 2.091 1.931 2.234 . 0 0 "[ . 1]" 1
2088 1 65 ARG H 1 65 ARG QD . . 4.620 3.765 3.420 4.066 . 0 0 "[ . 1]" 1
2089 1 65 ARG QG 1 66 ASP H . . 3.460 2.850 2.726 2.947 . 0 0 "[ . 1]" 1
2090 1 68 SER H 1 68 SER QB . . 3.380 2.238 2.226 2.244 . 0 0 "[ . 1]" 1
2091 1 68 SER QB 1 70 CYS H . . 3.830 3.591 3.512 3.727 . 0 0 "[ . 1]" 1
2092 1 68 SER QB 1 70 CYS HB3 . . 5.340 4.666 4.470 4.940 . 0 0 "[ . 1]" 1
2093 1 69 GLU H 1 69 GLU QG . . 4.760 3.601 2.104 4.227 . 0 0 "[ . 1]" 1
2094 1 69 GLU QB 1 70 CYS H . . 4.280 3.493 3.142 3.908 . 0 0 "[ . 1]" 1
2095 1 69 GLU QB 1 70 CYS HA . . 5.090 4.204 4.015 4.651 . 0 0 "[ . 1]" 1
2096 1 70 CYS HB3 1 71 GLY QA . . 5.340 4.649 4.263 4.830 . 0 0 "[ . 1]" 1
2097 1 71 GLY QA 1 74 LYS HB3 . . 3.530 2.432 2.235 2.667 . 0 0 "[ . 1]" 1
2098 1 74 LYS H 1 74 LYS QG . . 4.610 4.045 3.910 4.096 . 0 0 "[ . 1]" 1
2099 1 74 LYS QG 1 75 ARG H . . 4.690 3.747 3.662 3.873 . 0 0 "[ . 1]" 1
2100 1 75 ARG H 1 75 ARG QB . . 3.450 2.559 2.371 2.987 . 0 0 "[ . 1]" 1
2101 1 75 ARG H 1 75 ARG QG . . 4.100 3.197 2.137 3.996 . 0 0 "[ . 1]" 1
2102 1 75 ARG H 1 75 ARG QD . . 5.140 4.478 4.203 4.884 . 0 0 "[ . 1]" 1
2103 1 75 ARG QB 1 75 ARG QD . . 3.220 2.205 2.117 2.340 . 0 0 "[ . 1]" 1
2104 1 75 ARG QB 1 77 GLY H . . 5.200 3.256 2.711 3.979 . 0 0 "[ . 1]" 1
2105 1 75 ARG QB 1 77 GLY QA . . 5.180 3.974 3.649 4.503 . 0 0 "[ . 1]" 1
2106 1 75 ARG QB 1 78 ASP H . . 3.970 2.705 2.168 3.047 . 0 0 "[ . 1]" 1
2107 1 75 ARG QB 1 78 ASP QB . . 4.720 3.878 3.551 4.739 0.019 7 0 "[ . 1]" 1
2108 1 75 ARG QG 1 78 ASP H . . 4.900 3.928 2.823 4.634 . 0 0 "[ . 1]" 1
2109 1 75 ARG QG 1 78 ASP QB . . 4.760 4.748 4.611 4.817 0.057 10 0 "[ . 1]" 1
2110 1 75 ARG QD 1 77 GLY H . . 5.340 4.533 3.206 5.294 . 0 0 "[ . 1]" 1
2111 1 75 ARG QD 1 78 ASP H . . 5.290 3.830 2.787 4.639 . 0 0 "[ . 1]" 1
2112 1 75 ARG QD 1 78 ASP QB . . 5.180 4.413 2.938 5.185 0.005 7 0 "[ . 1]" 1
2113 1 75 ARG QD 1 79 LEU H . . 5.340 5.030 4.639 5.273 . 0 0 "[ . 1]" 1
2114 1 76 ASP H 1 76 ASP QB . . 3.670 3.316 2.869 3.409 . 0 0 "[ . 1]" 1
2115 1 76 ASP QB 1 78 ASP H . . 4.620 3.428 3.091 3.746 . 0 0 "[ . 1]" 1
2116 1 77 GLY H 1 78 ASP QB . . 5.140 4.652 4.269 4.939 . 0 0 "[ . 1]" 1
2117 1 78 ASP H 1 78 ASP QB . . 3.210 2.421 2.213 2.560 . 0 0 "[ . 1]" 1
2118 1 78 ASP QB 1 79 LEU H . . 3.620 3.335 2.835 3.647 0.027 4 0 "[ . 1]" 1
2119 1 80 GLY QA 1 81 MET H . . 2.980 2.257 2.233 2.282 . 0 0 "[ . 1]" 1
2120 1 80 GLY QA 1 81 MET QG . . 4.380 3.547 3.485 3.627 . 0 0 "[ . 1]" 1
2121 1 80 GLY QA 1 82 VAL H . . 5.340 4.687 4.542 4.771 . 0 0 "[ . 1]" 1
2122 1 81 MET H 1 81 MET QB . . 3.370 2.623 2.556 2.652 . 0 0 "[ . 1]" 1
2123 1 81 MET QG 1 82 VAL H . . 4.850 4.435 4.390 4.483 . 0 0 "[ . 1]" 1
2124 1 81 MET QG 1 82 VAL MG1 . . 4.880 4.494 4.269 5.068 0.188 9 0 "[ . 1]" 1
2125 1 83 GLU H 1 83 GLU QB . . 3.240 2.474 2.217 2.578 . 0 0 "[ . 1]" 1
2126 1 83 GLU H 1 83 GLU QG . . 3.500 3.047 2.300 3.671 0.171 8 0 "[ . 1]" 1
2127 1 83 GLU QB 1 84 SER H . . 3.400 2.593 2.380 3.388 . 0 0 "[ . 1]" 1
2128 1 83 GLU QB 1 84 SER QB . . 4.600 4.026 3.811 4.713 0.113 8 0 "[ . 1]" 1
2129 1 83 GLU QB 1 96 PHE QE . . 4.810 3.891 3.576 4.105 . 0 0 "[ . 1]" 1
2130 1 84 SER H 1 84 SER QB . . 3.160 2.280 2.136 2.608 . 0 0 "[ . 1]" 1
2131 1 84 SER QB 1 86 THR H . . 5.340 5.089 4.856 5.154 . 0 0 "[ . 1]" 1
2132 1 84 SER QB 1 96 PHE QD . . 5.000 3.425 3.013 4.258 . 0 0 "[ . 1]" 1
2133 1 85 GLY QA 1 87 TYR H . . 4.910 4.214 4.002 4.465 . 0 0 "[ . 1]" 1
2134 1 89 GLU H 1 89 GLU QG . . 4.490 3.938 3.823 4.015 . 0 0 "[ . 1]" 1
2135 1 89 GLU HA 1 89 GLU QG . . 2.910 2.363 2.238 2.438 . 0 0 "[ . 1]" 1
2136 1 89 GLU QB 1 90 GLY H . . 4.120 3.581 3.533 3.627 . 0 0 "[ . 1]" 1
2137 1 89 GLU QB 1 93 THR HG1 . . 5.340 4.950 4.553 5.170 . 0 0 "[ . 1]" 1
2138 1 89 GLU QG 1 90 GLY H . . 3.360 2.391 2.181 2.517 . 0 0 "[ . 1]" 1
2139 1 89 GLU QG 1 93 THR HG1 . . 4.070 3.604 3.315 3.786 . 0 0 "[ . 1]" 1
2140 1 90 GLY QA 1 92 ASP H . . 5.340 4.802 4.668 4.864 . 0 0 "[ . 1]" 1
2141 1 90 GLY QA 1 107 VAL MG1 . . 4.480 3.446 3.329 3.593 . 0 0 "[ . 1]" 1
2142 1 91 PHE H 1 92 ASP QB . . 5.340 4.729 4.198 4.999 . 0 0 "[ . 1]" 1
2143 1 91 PHE QD 1 92 ASP QB . . 4.080 3.622 3.434 4.105 0.025 3 0 "[ . 1]" 1
2144 1 92 ASP H 1 92 ASP QB . . 3.180 2.506 2.105 2.676 . 0 0 "[ . 1]" 1
2145 1 92 ASP QB 1 93 THR H . . 3.670 3.395 2.624 3.642 . 0 0 "[ . 1]" 1
2146 1 92 ASP QB 1 93 THR HA . . 4.450 4.290 3.837 4.511 0.061 9 0 "[ . 1]" 1
2147 1 92 ASP QB 1 93 THR HG1 . . 5.340 4.226 3.546 4.525 . 0 0 "[ . 1]" 1
2148 1 92 ASP QB 1 94 VAL H . . 5.340 5.213 4.681 5.356 0.016 8 0 "[ . 1]" 1
2149 1 92 ASP QB 1 95 ALA MB . . 4.530 4.140 3.988 4.281 . 0 0 "[ . 1]" 1
2150 1 92 ASP QB 1 96 PHE HZ . . 5.340 4.275 4.029 4.612 . 0 0 "[ . 1]" 1
2151 1 93 THR HA 1 94 VAL QG . . 5.150 4.534 4.498 4.561 . 0 0 "[ . 1]" 1
2152 1 93 THR HB 1 94 VAL QG . . 3.930 2.731 2.699 2.774 . 0 0 "[ . 1]" 1
2153 1 93 THR HG1 1 94 VAL QG . . 5.040 4.588 4.484 4.688 . 0 0 "[ . 1]" 1
2154 1 94 VAL H 1 94 VAL QG . . 2.930 2.131 2.068 2.330 . 0 0 "[ . 1]" 1
2155 1 94 VAL HA 1 98 LEU QD . . 4.970 4.259 4.000 4.390 . 0 0 "[ . 1]" 1
2156 1 94 VAL QG 1 95 ALA H . . 3.840 3.149 3.089 3.188 . 0 0 "[ . 1]" 1
2157 1 94 VAL QG 1 95 ALA HA . . 3.760 3.531 3.427 3.565 . 0 0 "[ . 1]" 1
2158 1 94 VAL QG 1 95 ALA MB . . 4.220 4.011 3.948 4.046 . 0 0 "[ . 1]" 1
2159 1 94 VAL QG 1 97 SER H . . 4.940 4.039 3.943 4.181 . 0 0 "[ . 1]" 1
2160 1 94 VAL QG 1 97 SER QB . . 4.980 3.511 3.311 3.632 . 0 0 "[ . 1]" 1
2161 1 94 VAL QG 1 98 LEU HG . . 3.430 1.993 1.891 2.169 . 0 0 "[ . 1]" 1
2162 1 94 VAL QG 1 98 LEU QD . . 3.870 2.231 1.871 2.395 . 0 0 "[ . 1]" 1
2163 1 94 VAL QG 1 104 SER H . . 5.440 4.279 4.153 4.747 . 0 0 "[ . 1]" 1
2164 1 94 VAL QG 1 104 SER HA . . 4.020 2.809 2.610 3.063 . 0 0 "[ . 1]" 1
2165 1 94 VAL QG 1 104 SER HB2 . . 2.840 1.915 1.889 2.018 . 0 0 "[ . 1]" 1
2166 1 94 VAL QG 1 105 ALA H . . 3.440 2.569 2.460 2.948 . 0 0 "[ . 1]" 1
2167 1 94 VAL QG 1 116 ILE MD . . 3.500 3.168 3.090 3.349 . 0 0 "[ . 1]" 1
2168 1 95 ALA H 1 98 LEU QD . . 4.300 3.879 3.559 4.053 . 0 0 "[ . 1]" 1
2169 1 95 ALA HA 1 98 LEU QD . . 3.090 2.176 1.895 2.265 . 0 0 "[ . 1]" 1
2170 1 95 ALA MB 1 98 LEU QD . . 4.270 3.304 3.176 3.366 . 0 0 "[ . 1]" 1
2171 1 97 SER H 1 97 SER QB . . 3.160 2.428 2.366 2.470 . 0 0 "[ . 1]" 1
2172 1 97 SER QB 1 98 LEU H . . 4.270 3.810 3.685 3.856 . 0 0 "[ . 1]" 1
2173 1 97 SER QB 1 98 LEU QD . . 5.280 4.760 4.356 4.926 . 0 0 "[ . 1]" 1
2174 1 98 LEU H 1 98 LEU QD . . 4.130 3.661 3.510 3.752 . 0 0 "[ . 1]" 1
2175 1 98 LEU HA 1 98 LEU QD . . 3.280 2.096 1.994 2.195 . 0 0 "[ . 1]" 1
2176 1 98 LEU QD 1 99 LYS H . . 3.360 2.085 1.925 2.797 . 0 0 "[ . 1]" 1
2177 1 98 LEU QD 1 99 LYS HA . . 5.440 4.527 4.390 4.981 . 0 0 "[ . 1]" 1
2178 1 98 LEU QD 1 102 GLU H . . 4.520 4.057 3.939 4.411 . 0 0 "[ . 1]" 1
2179 1 98 LEU QD 1 102 GLU QB . . 3.330 2.677 2.307 2.832 . 0 0 "[ . 1]" 1
2180 1 98 LEU QD 1 102 GLU QG . . 4.490 4.243 3.748 4.413 . 0 0 "[ . 1]" 1
2181 1 98 LEU QD 1 103 VAL H . . 4.980 3.951 3.834 4.092 . 0 0 "[ . 1]" 1
2182 1 98 LEU QD 1 104 SER H . . 3.450 2.440 2.198 2.808 . 0 0 "[ . 1]" 1
2183 1 98 LEU QD 1 104 SER HA . . 2.970 2.246 2.159 2.346 . 0 0 "[ . 1]" 1
2184 1 98 LEU QD 1 104 SER HB2 . . 4.080 2.917 1.945 3.127 . 0 0 "[ . 1]" 1
2185 1 98 LEU QD 1 104 SER HB3 . . 3.190 1.901 1.854 2.017 . 0 0 "[ . 1]" 1
2186 1 98 LEU QD 1 105 ALA H . . 4.740 3.955 3.708 4.100 . 0 0 "[ . 1]" 1
2187 1 98 LEU QD 1 105 ALA MB . . 5.440 4.885 4.622 5.012 . 0 0 "[ . 1]" 1
2188 1 98 LEU QD 1 116 ILE H . . 4.500 4.083 3.957 4.353 . 0 0 "[ . 1]" 1
2189 1 98 LEU QD 1 116 ILE HB . . 4.130 2.201 2.002 2.777 . 0 0 "[ . 1]" 1
2190 1 98 LEU QD 1 116 ILE MG . . 4.560 2.674 2.377 3.475 . 0 0 "[ . 1]" 1
2191 1 98 LEU QD 1 116 ILE MD . . 3.720 2.968 2.824 3.128 . 0 0 "[ . 1]" 1
2192 1 98 LEU QD 1 118 ARG H . . 3.960 2.910 2.623 4.057 0.097 10 0 "[ . 1]" 1
2193 1 98 LEU QD 1 118 ARG QB . . 4.220 2.632 2.396 3.729 . 0 0 "[ . 1]" 1
2194 1 99 LYS H 1 99 LYS QG . . 3.880 3.291 1.936 3.906 0.026 9 0 "[ . 1]" 1
2195 1 99 LYS H 1 99 LYS QD . . 5.330 4.226 2.464 4.650 . 0 0 "[ . 1]" 1
2196 1 99 LYS H 1 102 GLU QG . . 5.340 4.185 3.649 4.626 . 0 0 "[ . 1]" 1
2197 1 99 LYS H 1 118 ARG QB . . 5.290 3.744 3.429 4.376 . 0 0 "[ . 1]" 1
2198 1 99 LYS HA 1 99 LYS QD . . 5.140 3.314 2.006 4.477 . 0 0 "[ . 1]" 1
2199 1 99 LYS QG 1 100 SER H . . 4.480 3.395 2.398 4.433 . 0 0 "[ . 1]" 1
2200 1 99 LYS QG 1 102 GLU QG . . 5.180 3.680 2.033 4.912 . 0 0 "[ . 1]" 1
2201 1 100 SER H 1 100 SER QB . . 3.440 2.454 2.113 2.811 . 0 0 "[ . 1]" 1
2202 1 101 GLY H 1 102 GLU QB . . 4.610 4.303 4.164 4.466 . 0 0 "[ . 1]" 1
2203 1 101 GLY H 1 102 GLU QG . . 5.340 5.190 4.628 5.399 0.059 10 0 "[ . 1]" 1
2204 1 101 GLY QA 1 117 TYR QE . . 4.260 3.450 3.249 3.704 . 0 0 "[ . 1]" 1
2205 1 101 GLY QA 1 118 ARG H . . 5.340 4.840 4.565 5.105 . 0 0 "[ . 1]" 1
2206 1 102 GLU H 1 102 GLU QB . . 3.020 2.551 2.472 2.630 . 0 0 "[ . 1]" 1
2207 1 102 GLU H 1 102 GLU QG . . 4.640 3.689 3.280 3.916 . 0 0 "[ . 1]" 1
2208 1 102 GLU H 1 103 VAL QG . . 5.040 4.613 4.495 4.688 . 0 0 "[ . 1]" 1
2209 1 102 GLU H 1 118 ARG QB . . 4.800 2.600 2.310 3.007 . 0 0 "[ . 1]" 1
2210 1 102 GLU QB 1 103 VAL H . . 3.230 2.913 2.495 3.238 0.008 10 0 "[ . 1]" 1
2211 1 102 GLU QB 1 103 VAL QG . . 4.850 4.382 4.219 4.527 . 0 0 "[ . 1]" 1
2212 1 102 GLU QG 1 103 VAL H . . 3.940 3.863 3.537 3.974 0.034 10 0 "[ . 1]" 1
2213 1 103 VAL H 1 103 VAL QG . . 3.260 2.588 2.533 2.689 . 0 0 "[ . 1]" 1
2214 1 103 VAL QG 1 104 SER HA . . 5.440 3.828 3.770 3.869 . 0 0 "[ . 1]" 1
2215 1 103 VAL QG 1 104 SER HB3 . . 5.440 4.211 3.858 4.332 . 0 0 "[ . 1]" 1
2216 1 103 VAL QG 1 105 ALA H . . 5.200 4.720 4.614 4.765 . 0 0 "[ . 1]" 1
2217 1 103 VAL QG 1 115 LEU H . . 5.440 5.422 5.282 5.476 0.036 3 0 "[ . 1]" 1
2218 1 103 VAL QG 1 115 LEU HB2 . . 4.140 3.328 3.251 3.429 . 0 0 "[ . 1]" 1
2219 1 103 VAL QG 1 115 LEU QD . . 3.490 2.649 2.396 2.824 . 0 0 "[ . 1]" 1
2220 1 103 VAL QG 1 116 ILE H . . 4.020 2.921 2.862 3.065 . 0 0 "[ . 1]" 1
2221 1 103 VAL QG 1 117 TYR H . . 4.870 4.441 4.380 4.469 . 0 0 "[ . 1]" 1
2222 1 103 VAL QG 1 117 TYR HA . . 4.810 2.940 2.816 3.066 . 0 0 "[ . 1]" 1
2223 1 103 VAL QG 1 117 TYR HB2 . . 3.840 2.652 2.585 2.704 . 0 0 "[ . 1]" 1
2224 1 103 VAL QG 1 117 TYR HB3 . . 4.170 4.049 3.994 4.091 . 0 0 "[ . 1]" 1
2225 1 103 VAL QG 1 117 TYR QD . . 3.240 1.874 1.867 1.882 . 0 0 "[ . 1]" 1
2226 1 103 VAL QG 1 117 TYR QE . . 3.360 3.052 3.000 3.086 . 0 0 "[ . 1]" 1
2227 1 103 VAL QG 1 118 ARG H . . 4.790 4.143 4.007 4.264 . 0 0 "[ . 1]" 1
2228 1 108 GLU H 1 108 GLU QB . . 3.230 2.678 2.631 2.727 . 0 0 "[ . 1]" 1
2229 1 108 GLU H 1 108 GLU QG . . 3.330 2.612 2.497 2.725 . 0 0 "[ . 1]" 1
2230 1 108 GLU HA 1 108 GLU QG . . 3.660 2.525 2.494 2.556 . 0 0 "[ . 1]" 1
2231 1 108 GLU HA 1 113 VAL QG . . 4.080 2.029 1.929 2.153 . 0 0 "[ . 1]" 1
2232 1 108 GLU QB 1 109 THR H . . 3.840 3.559 3.489 3.574 . 0 0 "[ . 1]" 1
2233 1 108 GLU QB 1 113 VAL QG . . 5.110 2.306 2.150 2.497 . 0 0 "[ . 1]" 1
2234 1 108 GLU QG 1 109 THR H . . 4.780 4.481 4.440 4.515 . 0 0 "[ . 1]" 1
2235 1 108 GLU QG 1 113 VAL QG . . 3.930 2.014 1.957 2.134 . 0 0 "[ . 1]" 1
2236 1 108 GLU QG 1 114 HIS H . . 5.340 4.506 4.327 4.681 . 0 0 "[ . 1]" 1
2237 1 109 THR H 1 113 VAL QG . . 4.600 3.324 3.130 3.490 . 0 0 "[ . 1]" 1
2238 1 110 GLU H 1 110 GLU QB . . 3.690 2.321 2.167 2.525 . 0 0 "[ . 1]" 1
2239 1 110 GLU H 1 110 GLU QG . . 4.360 3.072 2.236 4.061 . 0 0 "[ . 1]" 1
2240 1 110 GLU QB 1 111 LEU H . . 4.210 3.055 2.642 3.601 . 0 0 "[ . 1]" 1
2241 1 110 GLU QB 1 111 LEU HA . . 4.880 4.173 3.956 4.538 . 0 0 "[ . 1]" 1
2242 1 113 VAL H 1 113 VAL QG . . 3.220 1.944 1.883 2.041 . 0 0 "[ . 1]" 1
2243 1 113 VAL QG 1 114 HIS HB2 . . 5.440 5.436 5.321 5.495 0.055 4 0 "[ . 1]" 1
2244 1 114 HIS H 1 115 LEU QD . . 5.440 3.861 3.473 4.437 . 0 0 "[ . 1]" 1
2245 1 114 HIS HA 1 115 LEU QD . . 3.850 3.162 2.643 3.731 . 0 0 "[ . 1]" 1
2246 1 114 HIS HB3 1 115 LEU QD . . 5.440 4.955 4.602 5.363 . 0 0 "[ . 1]" 1
2247 1 115 LEU H 1 115 LEU QD . . 3.530 2.689 1.917 3.278 . 0 0 "[ . 1]" 1
2248 1 116 ILE MG 1 118 ARG QB . . 5.340 4.803 4.553 5.309 . 0 0 "[ . 1]" 1
2249 1 118 ARG H 1 118 ARG QG . . 4.550 3.929 3.702 4.081 . 0 0 "[ . 1]" 1
2250 1 118 ARG H 1 118 ARG QD . . 5.340 4.288 3.739 4.654 . 0 0 "[ . 1]" 1
2251 1 118 ARG QB 1 118 ARG QD . . 3.080 2.173 1.975 2.423 . 0 0 "[ . 1]" 1
2252 1 119 VAL H 1 119 VAL QG . . 3.030 2.357 1.987 2.468 . 0 0 "[ . 1]" 1
2253 1 119 VAL QG 1 120 GLU H . . 3.260 2.434 1.985 2.816 . 0 0 "[ . 1]" 1
2254 1 120 GLU H 1 120 GLU QB . . 3.160 2.555 2.283 3.167 0.007 7 0 "[ . 1]" 1
2255 1 120 GLU H 1 120 GLU QG . . 3.320 2.257 1.923 2.877 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 88
_Distance_constraint_stats_list.Viol_count 836
_Distance_constraint_stats_list.Viol_total 25767.334
_Distance_constraint_stats_list.Viol_max 23.727
_Distance_constraint_stats_list.Viol_rms 5.6583
_Distance_constraint_stats_list.Viol_average_all_restraints 2.9281
_Distance_constraint_stats_list.Viol_average_violations_only 3.0822
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 2 THR 258.545 14.055 10 10 [*******-*+]
1 5 HIS 17.727 0.940 6 10 [****-+****]
1 6 PHE 14.161 0.864 9 10 [**-*****+*]
1 7 TYR 394.041 23.727 5 10 [***-+*****]
1 8 HIS 10.039 0.896 7 4 "[- *. + *]"
1 9 VAL 481.447 17.132 7 10 [******+-**]
1 10 LEU 9.852 0.738 10 3 "[ * .* +]"
1 11 VAL 162.853 8.024 5 10 [*-**+*****]
1 12 LYS 179.756 9.336 7 10 [******+**-]
1 13 HIS 162.409 8.024 5 10 [****+**-**]
1 14 LYS 350.775 18.164 7 10 [***-**+***]
1 15 ASP 329.255 17.132 7 10 [****-*+***]
1 16 VAL 467.769 23.144 5 10 [****+**-**]
1 17 ARG 233.900 23.727 5 10 [**-*+*****]
1 23 ALA 0.057 0.013 2 0 "[ . 1]"
1 33 ARG 5.991 0.849 8 3 "[ * -. + 1]"
1 34 SER 26.124 0.838 8 10 [******-+**]
1 35 ARG 14.946 0.831 3 10 [**+-******]
1 36 ALA 8.895 0.679 10 3 "[* . - +]"
1 37 ASP 29.382 0.839 6 10 [*****+*-**]
1 38 ALA 25.712 0.815 4 10 [***+**-***]
1 39 ILE 16.119 0.831 3 10 [**+-******]
1 40 ASN 13.267 0.679 10 3 "[* . - +]"
1 41 LEU 28.263 0.839 6 10 [*****+*-**]
1 42 ALA 26.778 0.815 4 10 [***+*-****]
1 43 GLN 7.587 0.800 8 2 "[- . + 1]"
1 44 ALA 4.372 0.454 10 0 "[ . 1]"
1 45 ILE 14.381 0.814 10 10 [****-****+]
1 46 LEU 11.690 0.693 3 10 [**+**-****]
1 47 ALA 6.414 0.800 8 2 "[- . + 1]"
1 56 SER 16.514 0.841 6 10 [*****+***-]
1 57 LEU 5.680 0.387 7 0 "[ . 1]"
1 58 ASP 15.721 0.914 6 10 [**-**+****]
1 59 GLU 8.218 0.841 6 10 [***-*+****]
1 60 PHE 14.435 0.838 9 10 [**-*****+*]
1 61 VAL 22.478 0.944 4 10 [***+*-****]
1 62 GLN 15.721 0.914 6 10 [**-**+****]
1 63 VAL 7.977 0.791 4 2 "[ -+. 1]"
1 64 VAL 4.051 0.507 3 1 "[ + . 1]"
1 65 ARG 16.799 0.944 4 10 [***+*-****]
1 67 PHE 2.703 0.329 10 0 "[ . 1]"
1 68 SER 24.574 0.888 3 10 [**+******-]
1 69 GLU 5.100 0.738 10 3 "[ * .- +]"
1 70 CYS 16.635 0.888 3 10 [**+**-****]
1 73 ALA 0.057 0.013 2 0 "[ . 1]"
1 75 ARG 2.797 0.367 10 0 "[ . 1]"
1 77 GLY 10.039 0.896 7 4 "[- *. + *]"
1 78 ASP 2.797 0.367 10 0 "[ . 1]"
1 79 LEU 14.161 0.864 9 10 [**-*****+*]
1 91 PHE 0.204 0.032 5 0 "[ . 1]"
1 94 VAL 0.731 0.104 3 0 "[ . 1]"
1 95 ALA 18.159 1.152 4 10 [***+*****-]
1 98 LEU 18.687 1.152 4 10 [***+*****-]
1 99 LYS 7.683 0.925 10 4 "[- .** +]"
1 102 GLU 7.683 0.925 10 4 "[- .** +]"
1 104 SER 452.691 23.144 5 10 [*-**+*****]
1 107 VAL 344.784 18.164 7 10 [******+-**]
1 109 THR 179.756 9.336 7 10 [******+**-]
1 112 GLY 142.248 7.767 8 10 [*******+*-]
1 113 VAL 15.521 0.903 4 10 [*-*+******]
1 114 HIS 159.084 8.605 2 10 [*+*-******]
1 115 LEU 9.944 0.634 10 6 "[ ***-*+]"
1 117 TYR 1.057 0.135 10 0 "[ . 1]"
1 118 ARG 258.545 14.055 10 10 [*******-*+]
1 119 VAL 17.727 0.940 6 10 [****-+****]
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 7 TYR N 1 17 ARG O . . 2.700 26.090 25.756 26.427 23.727 5 10 [**-*+*****] 2
2 1 8 HIS H 1 77 GLY O . . 1.800 2.275 2.099 2.622 0.822 7 2 "[ . + -]" 2
3 1 8 HIS N 1 77 GLY O . . 2.700 3.229 3.053 3.596 0.896 7 4 "[- *. + *]" 2
4 1 9 VAL H 1 15 ASP O . . 1.800 18.640 18.349 18.932 17.132 7 10 [****-*+***] 2
5 1 9 VAL N 1 15 ASP O . . 2.700 18.785 18.530 19.044 16.344 7 10 [****-*+***] 2
6 1 10 LEU H 1 68 SER OG . . 1.800 2.002 1.797 2.240 0.440 10 0 "[ . 1]" 2
7 1 10 LEU N 1 68 SER OG . . 2.700 2.973 2.768 3.206 0.506 10 1 "[ . +]" 2
8 1 11 VAL H 1 13 HIS O . . 1.800 9.739 9.561 9.824 8.024 5 10 [****+*-***] 2
9 1 11 VAL N 1 13 HIS O . . 2.700 9.494 9.336 9.583 6.883 8 10 [******-+**] 2
10 1 14 LYS H 1 33 ARG O . . 1.800 2.152 1.869 2.649 0.849 8 3 "[ * -. + 1]" 2
11 1 14 LYS N 1 33 ARG O . . 2.700 2.947 2.738 3.446 0.746 8 3 "[ * -. + 1]" 2
12 1 13 HIS O 1 16 VAL H . . 1.800 2.629 2.615 2.653 0.853 8 10 [*******+*-] 2
13 1 13 HIS O 1 16 VAL N . . 2.700 3.379 3.269 3.419 0.719 1 10 [+******-**] 2
14 1 34 SER OG 1 37 ASP H . . 1.800 2.606 2.519 2.638 0.838 8 10 [*******+*-] 2
15 1 34 SER OG 1 37 ASP N . . 2.700 3.444 3.291 3.516 0.816 3 10 [**+******-] 2
16 1 34 SER O 1 38 ALA H . . 1.800 2.407 2.277 2.521 0.721 8 9 [***-.**+**] 2
17 1 34 SER O 1 38 ALA N . . 2.700 3.155 3.029 3.284 0.584 8 3 "[ . -+*1]" 2
18 1 35 ARG O 1 39 ILE H . . 1.800 2.530 2.324 2.624 0.824 6 10 [***-*+****] 2
19 1 35 ARG O 1 39 ILE N . . 2.700 3.465 3.283 3.531 0.831 3 10 [**+-******] 2
20 1 36 ALA O 1 40 ASN H . . 1.800 2.236 2.084 2.465 0.665 1 3 "[+ . - *]" 2
21 1 36 ALA O 1 40 ASN N . . 2.700 3.153 2.990 3.379 0.679 10 2 "[- . +]" 2
22 1 37 ASP O 1 41 LEU H . . 1.800 2.607 2.513 2.639 0.839 6 10 [****-+****] 2
23 1 37 ASP O 1 41 LEU N . . 2.700 3.281 3.221 3.318 0.618 9 10 [*******-+*] 2
24 1 38 ALA O 1 42 ALA H . . 1.800 2.521 2.428 2.563 0.763 4 10 [*-*+******] 2
25 1 38 ALA O 1 42 ALA N . . 2.700 3.487 3.397 3.515 0.815 4 10 [*-*+******] 2
26 1 39 ILE O 1 43 GLN H . . 1.800 1.839 1.794 1.881 0.081 6 0 "[ . 1]" 2
27 1 39 ILE O 1 43 GLN N . . 2.700 2.778 2.743 2.833 0.133 8 0 "[ . 1]" 2
28 1 40 ASN O 1 44 ALA H . . 1.800 2.041 1.865 2.254 0.454 10 0 "[ . 1]" 2
29 1 40 ASN O 1 44 ALA N . . 2.700 2.896 2.750 3.087 0.387 10 0 "[ . 1]" 2
30 1 41 LEU O 1 45 ILE H . . 1.800 2.561 2.474 2.614 0.814 10 10 [***-*****+] 2
31 1 41 LEU O 1 45 ILE N . . 2.700 3.377 3.322 3.435 0.735 7 10 [****-*+***] 2
32 1 42 ALA O 1 46 LEU H . . 1.800 2.349 2.282 2.415 0.615 3 8 "[**+**-* *]" 2
33 1 42 ALA O 1 46 LEU N . . 2.700 3.321 3.239 3.393 0.693 3 10 [**+****-**] 2
34 1 43 GLN O 1 47 ALA H . . 1.800 2.155 1.867 2.600 0.800 8 2 "[- . + 1]" 2
35 1 43 GLN O 1 47 ALA N . . 2.700 2.986 2.758 3.274 0.574 8 1 "[ . + 1]" 2
36 1 56 SER OG 1 59 GLU H . . 1.800 2.622 2.611 2.641 0.841 6 10 [***-*+****] 2
37 1 56 SER O 1 60 PHE H . . 1.800 2.630 2.610 2.638 0.838 9 10 [********+-] 2
38 1 57 LEU O 1 61 VAL H . . 1.800 2.059 2.016 2.187 0.387 7 0 "[ . 1]" 2
39 1 57 LEU O 1 61 VAL N . . 2.700 3.009 2.961 3.082 0.382 7 0 "[ . 1]" 2
40 1 58 ASP O 1 62 GLN H . . 1.800 2.652 2.628 2.714 0.914 6 10 [****-+****] 2
41 1 58 ASP O 1 62 GLN N . . 2.700 3.420 3.350 3.448 0.748 6 10 [**-**+****] 2
42 1 60 PHE O 1 63 VAL H . . 1.800 2.200 2.013 2.591 0.791 4 2 "[ -+. 1]" 2
43 1 60 PHE O 1 63 VAL N . . 2.700 2.820 2.661 3.168 0.468 4 0 "[ . 1]" 2
44 1 60 PHE O 1 64 VAL H . . 1.800 1.867 1.772 1.908 0.108 9 0 "[ . 1]" 2
45 1 60 PHE O 1 64 VAL N . . 2.700 2.705 2.651 2.747 0.047 6 0 "[ . 1]" 2
46 1 61 VAL O 1 65 ARG H . . 1.800 2.621 2.550 2.744 0.944 4 10 [***+*-****] 2
47 1 61 VAL O 1 65 ARG N . . 2.700 3.559 3.505 3.587 0.887 1 10 [+****-****] 2
48 1 63 VAL O 1 67 PHE H . . 1.800 2.067 2.028 2.129 0.329 10 0 "[ . 1]" 2
49 1 63 VAL O 1 67 PHE N . . 2.700 2.695 2.669 2.714 0.014 10 0 "[ . 1]" 2
50 1 64 VAL O 1 68 SER H . . 1.800 2.049 1.976 2.307 0.507 3 1 "[ + . 1]" 2
51 1 64 VAL O 1 68 SER N . . 2.700 2.763 2.666 3.030 0.330 4 0 "[ . 1]" 2
52 1 10 LEU O 1 69 GLU H . . 1.800 2.151 1.963 2.538 0.738 10 3 "[ * .- +]" 2
53 1 10 LEU O 1 69 GLU N . . 2.700 2.859 2.740 3.080 0.380 10 0 "[ . 1]" 2
54 1 68 SER OG 1 70 CYS H . . 1.800 2.609 2.534 2.652 0.852 7 10 [*****-+***] 2
55 1 68 SER OG 1 70 CYS N . . 2.700 3.554 3.507 3.588 0.888 3 10 [**+***-***] 2
56 1 75 ARG O 1 78 ASP H . . 1.800 1.950 1.795 2.167 0.367 10 0 "[ . 1]" 2
57 1 75 ARG O 1 78 ASP N . . 2.700 2.829 2.737 2.999 0.299 10 0 "[ . 1]" 2
58 1 6 PHE O 1 79 LEU H . . 1.800 2.591 2.456 2.664 0.864 9 10 [*****-**+*] 2
59 1 6 PHE O 1 79 LEU N . . 2.700 3.325 3.235 3.417 0.717 4 10 [**-+******] 2
60 1 91 PHE O 1 95 ALA H . . 1.800 1.790 1.777 1.825 0.025 1 0 "[ . 1]" 2
61 1 91 PHE O 1 95 ALA N . . 2.700 2.718 2.704 2.732 0.032 5 0 "[ . 1]" 2
62 1 95 ALA O 1 98 LEU H . . 1.800 2.723 2.440 2.952 1.152 4 10 [***+*****-] 2
63 1 95 ALA O 1 98 LEU N . . 2.700 3.572 3.337 3.790 1.090 4 10 [***+*****-] 2
64 1 99 LYS O 1 102 GLU H . . 1.800 2.323 2.164 2.725 0.925 10 4 "[- .** +]" 2
65 1 99 LYS O 1 102 GLU N . . 2.700 2.945 2.833 3.351 0.651 10 1 "[ . +]" 2
66 1 16 VAL O 1 104 SER H . . 1.800 24.708 24.458 24.944 23.144 5 10 [*-**+*****] 2
67 1 16 VAL O 1 104 SER N . . 2.700 25.061 24.763 25.360 22.660 5 10 [*-**+*****] 2
68 1 14 LYS O 1 107 VAL H . . 1.800 19.633 19.393 19.964 18.164 7 10 [******+-**] 2
69 1 14 LYS O 1 107 VAL N . . 2.700 19.345 19.087 19.766 17.066 7 10 [******+-**] 2
70 1 12 LYS O 1 109 THR H . . 1.800 10.839 10.593 11.136 9.336 7 10 [******+**-] 2
71 1 12 LYS O 1 109 THR N . . 2.700 11.637 11.415 11.910 9.210 7 10 [******+**-] 2
72 1 9 VAL O 1 112 GLY H . . 1.800 9.380 9.124 9.567 7.767 8 10 [*******+*-] 2
73 1 9 VAL O 1 112 GLY N . . 2.700 9.345 9.119 9.502 6.802 4 10 [***+*****-] 2
74 1 11 VAL O 1 113 VAL H . . 1.800 2.653 2.616 2.703 0.903 4 10 [***+*****-] 2
75 1 11 VAL O 1 113 VAL N . . 2.700 3.399 3.293 3.454 0.754 4 10 [*-*+******] 2
76 1 7 TYR O 1 114 HIS H . . 1.800 10.317 10.217 10.405 8.605 2 10 [*+*-******] 2
77 1 7 TYR O 1 114 HIS N . . 2.700 10.091 10.016 10.196 7.496 2 10 [*+*-******] 2
78 1 9 VAL O 1 115 LEU H . . 1.800 2.312 2.217 2.434 0.634 10 6 "[ ***-*+]" 2
79 1 9 VAL O 1 115 LEU N . . 2.700 3.182 3.100 3.275 0.575 10 4 "[ .** -+]" 2
80 1 7 TYR O 1 117 TYR H . . 1.800 1.842 1.815 1.903 0.103 10 0 "[ . 1]" 2
81 1 7 TYR O 1 117 TYR N . . 2.700 2.763 2.714 2.835 0.135 10 0 "[ . 1]" 2
82 1 2 THR O 1 118 ARG H . . 1.800 15.480 15.112 15.855 14.055 10 10 [*******-*+] 2
83 1 2 THR O 1 118 ARG N . . 2.700 14.875 14.511 15.232 12.532 10 10 [*******-*+] 2
84 1 5 HIS O 1 119 VAL H . . 1.800 2.703 2.683 2.727 0.927 6 10 [**-**+****] 2
85 1 5 HIS O 1 119 VAL N . . 2.700 3.569 3.524 3.640 0.940 6 10 [****-+****] 2
86 1 94 VAL O 1 98 LEU H . . 2.600 2.673 2.657 2.704 0.104 3 0 "[ . 1]" 2
87 1 94 VAL O 1 98 LEU N . . 3.500 2.690 2.655 2.803 . 0 0 "[ . 1]" 2
88 1 23 ALA MB 1 73 ALA MB . . 3.800 3.756 3.382 3.813 0.013 2 0 "[ . 1]" 2
stop_
save_