NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
429117 |
2ivw   |
7209 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ivw
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 1542
_Distance_constraint_stats_list.Viol_count 2369
_Distance_constraint_stats_list.Viol_total 2192.635
_Distance_constraint_stats_list.Viol_max 0.617
_Distance_constraint_stats_list.Viol_rms 0.0191
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0463
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ASP 0.001 0.001 8 0 "[ . 1 . 2]"
1 4 LYS 0.006 0.005 9 0 "[ . 1 . 2]"
1 5 LYS 0.003 0.002 14 0 "[ . 1 . 2]"
1 6 GLY 0.010 0.004 13 0 "[ . 1 . 2]"
1 7 GLU 0.036 0.016 13 0 "[ . 1 . 2]"
1 8 ASN 0.693 0.079 12 0 "[ . 1 . 2]"
1 9 ALA 0.010 0.005 13 0 "[ . 1 . 2]"
1 11 ASP 0.222 0.044 1 0 "[ . 1 . 2]"
1 12 THR 2.339 0.581 9 1 "[ . +1 . 2]"
1 13 LYS 3.801 0.581 13 2 "[ . -1 + . 2]"
1 14 ARG 1.674 0.430 19 0 "[ . 1 . 2]"
1 15 ILE 1.182 0.167 12 0 "[ . 1 . 2]"
1 16 LYS 2.879 0.390 17 0 "[ . 1 . 2]"
1 17 GLU 1.807 0.390 17 0 "[ . 1 . 2]"
1 18 THR 0.879 0.165 1 0 "[ . 1 . 2]"
1 19 LEU 3.242 0.365 15 0 "[ . 1 . 2]"
1 20 GLU 0.627 0.246 1 0 "[ . 1 . 2]"
1 21 LYS 4.346 0.246 1 0 "[ . 1 . 2]"
1 22 PHE 4.173 0.130 6 0 "[ . 1 . 2]"
1 23 SER 0.425 0.077 17 0 "[ . 1 . 2]"
1 24 LEU 1.077 0.114 7 0 "[ . 1 . 2]"
1 25 GLU 1.480 0.617 14 1 "[ . 1 +. 2]"
1 26 ASN 1.067 0.206 14 0 "[ . 1 . 2]"
1 27 MET 2.255 0.136 15 0 "[ . 1 . 2]"
1 28 ARG 0.798 0.108 1 0 "[ . 1 . 2]"
1 29 TYR 14.921 0.233 20 0 "[ . 1 . 2]"
1 30 VAL 2.828 0.233 20 0 "[ . 1 . 2]"
1 31 GLY 0.345 0.072 1 0 "[ . 1 . 2]"
1 32 ILE 4.918 0.216 18 0 "[ . 1 . 2]"
1 33 LEU 0.533 0.146 9 0 "[ . 1 . 2]"
1 34 LYS 0.476 0.087 5 0 "[ . 1 . 2]"
1 35 SER 0.177 0.033 5 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLN 0.319 0.117 6 0 "[ . 1 . 2]"
1 38 LYS 0.375 0.117 6 0 "[ . 1 . 2]"
1 39 VAL 0.205 0.183 5 0 "[ . 1 . 2]"
1 40 SER 2.269 0.183 5 0 "[ . 1 . 2]"
1 41 GLY 1.707 0.149 18 0 "[ . 1 . 2]"
1 42 PHE 6.042 0.151 20 0 "[ . 1 . 2]"
1 43 ILE 3.263 0.140 17 0 "[ . 1 . 2]"
1 44 GLU 2.953 0.118 20 0 "[ . 1 . 2]"
1 45 ALA 4.919 0.168 11 0 "[ . 1 . 2]"
1 46 GLU 1.543 0.077 17 0 "[ . 1 . 2]"
1 47 GLY 0.059 0.033 17 0 "[ . 1 . 2]"
1 48 TYR 4.029 0.240 1 0 "[ . 1 . 2]"
1 49 VAL 5.541 0.151 20 0 "[ . 1 . 2]"
1 50 TYR 8.676 0.209 4 0 "[ . 1 . 2]"
1 51 THR 0.477 0.058 17 0 "[ . 1 . 2]"
1 52 VAL 2.092 0.140 17 0 "[ . 1 . 2]"
1 53 GLY 1.817 0.118 5 0 "[ . 1 . 2]"
1 54 VAL 3.299 0.166 11 0 "[ . 1 . 2]"
1 55 GLY 0.134 0.058 12 0 "[ . 1 . 2]"
1 56 ASN 1.276 0.120 20 0 "[ . 1 . 2]"
1 57 TYR 4.360 0.209 4 0 "[ . 1 . 2]"
1 58 LEU 0.460 0.124 15 0 "[ . 1 . 2]"
1 59 GLY 0.599 0.051 17 0 "[ . 1 . 2]"
1 60 GLN 0.699 0.097 11 0 "[ . 1 . 2]"
1 61 ASN 2.458 0.177 10 0 "[ . 1 . 2]"
1 62 TYR 0.801 0.052 17 0 "[ . 1 . 2]"
1 63 GLY 0.149 0.081 20 0 "[ . 1 . 2]"
1 64 ARG 0.155 0.082 13 0 "[ . 1 . 2]"
1 65 ILE 2.727 0.317 20 0 "[ . 1 . 2]"
1 66 GLU 0.214 0.058 12 0 "[ . 1 . 2]"
1 67 SER 1.374 0.126 1 0 "[ . 1 . 2]"
1 68 ILE 4.157 0.166 11 0 "[ . 1 . 2]"
1 69 THR 1.255 0.182 12 0 "[ . 1 . 2]"
1 70 ASP 0.019 0.019 12 0 "[ . 1 . 2]"
1 71 ASP 1.540 0.149 16 0 "[ . 1 . 2]"
1 72 SER 4.364 0.227 8 0 "[ . 1 . 2]"
1 73 ILE 8.432 0.227 8 0 "[ . 1 . 2]"
1 74 VAL 4.238 0.317 20 0 "[ . 1 . 2]"
1 75 LEU 3.170 0.270 16 0 "[ . 1 . 2]"
1 76 ASN 0.658 0.124 12 0 "[ . 1 . 2]"
1 77 GLU 3.902 0.243 20 0 "[ . 1 . 2]"
1 78 LEU 2.378 0.100 7 0 "[ . 1 . 2]"
1 79 ILE 0.616 0.132 1 0 "[ . 1 . 2]"
1 80 GLU 4.261 0.143 7 0 "[ . 1 . 2]"
1 81 ASP 0.842 0.109 13 0 "[ . 1 . 2]"
1 82 SER 0.004 0.003 17 0 "[ . 1 . 2]"
1 83 THR 1.326 0.097 13 0 "[ . 1 . 2]"
1 84 GLY 0.195 0.027 1 0 "[ . 1 . 2]"
1 85 ASN 6.171 0.146 13 0 "[ . 1 . 2]"
1 86 TRP 4.063 0.146 13 0 "[ . 1 . 2]"
1 87 VAL 3.286 0.143 7 0 "[ . 1 . 2]"
1 88 SER 0.832 0.246 19 0 "[ . 1 . 2]"
1 89 ARG 1.762 0.243 20 0 "[ . 1 . 2]"
1 90 LYS 0.195 0.045 20 0 "[ . 1 . 2]"
1 91 ALA 3.102 0.270 16 0 "[ . 1 . 2]"
1 92 GLU 0.261 0.069 16 0 "[ . 1 . 2]"
1 93 LEU 4.636 0.124 9 0 "[ . 1 . 2]"
1 94 LEU 1.198 0.104 12 0 "[ . 1 . 2]"
1 95 LEU 3.990 0.186 1 0 "[ . 1 . 2]"
1 96 ASN 4.637 0.117 2 0 "[ . 1 . 2]"
1 97 SER 1.685 0.090 19 0 "[ . 1 . 2]"
1 98 SER 0.913 0.090 19 0 "[ . 1 . 2]"
1 99 ASP 0.062 0.029 10 0 "[ . 1 . 2]"
1 100 LYS 0.507 0.309 10 0 "[ . 1 . 2]"
1 101 ASN 0.421 0.309 10 0 "[ . 1 . 2]"
1 102 THR 0.017 0.007 10 0 "[ . 1 . 2]"
1 103 GLU 0.004 0.001 20 0 "[ . 1 . 2]"
1 104 GLN 0.030 0.028 11 0 "[ . 1 . 2]"
1 105 ALA 0.030 0.028 11 0 "[ . 1 . 2]"
1 106 ALA 0.001 0.000 11 0 "[ . 1 . 2]"
1 107 ALA 0.000 0.000 11 0 "[ . 1 . 2]"
1 108 PRO 0.000 0.000 8 0 "[ . 1 . 2]"
1 109 ALA 0.000 0.000 8 0 "[ . 1 . 2]"
1 110 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 GLU 0.000 0.000 14 0 "[ . 1 . 2]"
1 112 GLN 0.007 0.006 17 0 "[ . 1 . 2]"
1 113 ASN 0.007 0.006 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 42 PHE HA 1 43 ILE HA . . 4.790 4.394 4.392 4.396 . 0 0 "[ . 1 . 2]" 1
2 1 42 PHE HA 1 51 THR HA . . 3.440 1.991 1.920 2.090 . 0 0 "[ . 1 . 2]" 1
3 1 78 LEU HA 1 88 SER HA . . 3.370 2.381 2.161 2.565 . 0 0 "[ . 1 . 2]" 1
4 1 76 ASN HA 1 90 LYS HA . . 3.530 1.970 1.935 2.061 . 0 0 "[ . 1 . 2]" 1
5 1 72 SER HA 1 94 LEU HA . . 4.070 2.298 2.146 2.451 . 0 0 "[ . 1 . 2]" 1
6 1 74 VAL HA 1 92 GLU HA . . 3.590 2.147 2.026 2.502 . 0 0 "[ . 1 . 2]" 1
7 1 87 VAL HA 1 88 SER HA . . 5.240 4.346 4.341 4.352 . 0 0 "[ . 1 . 2]" 1
8 1 57 TYR HA 1 64 ARG HA . . 3.640 2.445 2.340 2.636 . 0 0 "[ . 1 . 2]" 1
9 1 42 PHE HA 1 43 ILE HB . . 4.810 4.609 4.560 4.655 . 0 0 "[ . 1 . 2]" 1
10 1 44 GLU HA 1 44 GLU QG . . 3.570 2.755 2.672 2.818 . 0 0 "[ . 1 . 2]" 1
11 1 33 LEU HB2 1 42 PHE HA . . 5.500 4.900 4.412 5.503 0.003 2 0 "[ . 1 . 2]" 1
12 1 42 PHE HA 1 43 ILE QG . . 5.500 4.625 4.438 4.836 . 0 0 "[ . 1 . 2]" 1
13 1 42 PHE HA 1 51 THR MG . . 4.680 2.088 1.935 2.303 . 0 0 "[ . 1 . 2]" 1
14 1 57 TYR HA 1 58 LEU HB3 . . 5.190 4.565 4.509 4.646 . 0 0 "[ . 1 . 2]" 1
15 1 57 TYR HA 1 64 ARG HB3 . . 5.500 4.785 4.411 5.057 . 0 0 "[ . 1 . 2]" 1
16 1 91 ALA MB 1 92 GLU HA . . 5.500 4.086 4.013 4.134 . 0 0 "[ . 1 . 2]" 1
17 1 42 PHE HA 1 43 ILE MD . . 3.230 3.161 3.092 3.230 . 18 0 "[ . 1 . 2]" 1
18 1 43 ILE MG 1 44 GLU HA . . 4.810 3.502 3.448 3.624 . 0 0 "[ . 1 . 2]" 1
19 1 30 VAL MG1 1 43 ILE HA . . 4.270 3.741 3.643 3.914 . 0 0 "[ . 1 . 2]" 1
20 1 78 LEU HA 1 87 VAL MG2 . . 4.690 4.062 3.950 4.221 . 0 0 "[ . 1 . 2]" 1
21 1 29 TYR HA 1 93 LEU MD2 . . 5.110 3.432 3.303 3.540 . 0 0 "[ . 1 . 2]" 1
22 1 57 TYR HA 1 65 ILE MG . . 5.140 4.068 3.943 4.303 . 0 0 "[ . 1 . 2]" 1
23 1 29 TYR HA 1 29 TYR QE . . 5.500 4.061 4.039 4.091 . 0 0 "[ . 1 . 2]" 1
24 1 61 ASN HA 1 62 TYR QD . . 5.500 4.288 4.075 4.414 . 0 0 "[ . 1 . 2]" 1
25 1 30 VAL H 1 43 ILE HA . . 4.710 2.590 2.486 2.691 . 0 0 "[ . 1 . 2]" 1
26 1 19 LEU MD1 1 50 TYR H . . 4.830 4.553 4.207 4.867 0.037 17 0 "[ . 1 . 2]" 1
27 1 80 GLU HB2 1 87 VAL H . . 5.500 5.588 5.524 5.643 0.143 7 0 "[ . 1 . 2]" 1
28 1 30 VAL H 1 73 ILE MD . . 5.130 4.932 4.747 5.111 . 0 0 "[ . 1 . 2]" 1
29 1 61 ASN HD21 1 80 GLU HB2 . . 4.980 4.579 4.387 4.745 . 0 0 "[ . 1 . 2]" 1
30 1 29 TYR QD 1 73 ILE MD . . 2.930 2.818 2.634 2.970 0.040 2 0 "[ . 1 . 2]" 1
31 1 29 TYR QE 1 73 ILE MD . . 3.320 2.706 2.540 2.761 . 0 0 "[ . 1 . 2]" 1
32 1 29 TYR HA 1 73 ILE MD . . 3.950 3.575 3.352 3.799 . 0 0 "[ . 1 . 2]" 1
33 1 43 ILE HA 1 73 ILE MD . . 5.020 4.594 4.420 4.809 . 0 0 "[ . 1 . 2]" 1
34 1 72 SER HA 1 73 ILE MD . . 5.320 4.688 4.454 4.891 . 0 0 "[ . 1 . 2]" 1
35 1 73 ILE HA 1 73 ILE MD . . 4.240 4.134 4.025 4.172 . 0 0 "[ . 1 . 2]" 1
36 1 19 LEU HA 1 19 LEU MD1 . . 3.390 2.246 1.961 3.755 0.365 15 0 "[ . 1 . 2]" 1
37 1 29 TYR HB2 1 73 ILE MD . . 4.820 3.081 2.638 3.611 . 0 0 "[ . 1 . 2]" 1
38 1 29 TYR HB3 1 73 ILE MD . . 4.380 4.193 3.847 4.523 0.143 12 0 "[ . 1 . 2]" 1
39 1 29 TYR HB3 1 95 LEU MD1 . . 4.910 2.268 1.908 2.468 . 0 0 "[ . 1 . 2]" 1
40 1 73 ILE HB 1 73 ILE MD . . 2.820 2.388 2.313 2.486 . 0 0 "[ . 1 . 2]" 1
41 1 95 LEU QB 1 95 LEU MD1 . . 3.200 2.318 2.261 2.499 . 0 0 "[ . 1 . 2]" 1
42 1 56 ASN HB3 1 65 ILE MG . . 2.560 1.924 1.882 2.077 . 0 0 "[ . 1 . 2]" 1
43 1 52 VAL MG2 1 56 ASN HB3 . . 3.830 3.634 3.559 3.695 . 0 0 "[ . 1 . 2]" 1
44 1 54 VAL HA 1 68 ILE MD . . 2.700 2.143 1.931 2.736 0.036 12 0 "[ . 1 . 2]" 1
45 1 56 ASN HB2 1 65 ILE MG . . 2.870 2.521 2.439 2.706 . 0 0 "[ . 1 . 2]" 1
46 1 68 ILE HA 1 73 ILE MG . . 2.670 1.982 1.893 2.212 . 0 0 "[ . 1 . 2]" 1
47 1 73 ILE HA 1 73 ILE MG . . 2.660 2.100 1.936 2.190 . 0 0 "[ . 1 . 2]" 1
48 1 52 VAL HA 1 52 VAL MG2 . . 3.310 3.199 3.187 3.203 . 0 0 "[ . 1 . 2]" 1
49 1 40 SER HA 1 68 ILE MG . . 3.660 2.676 1.999 3.405 . 0 0 "[ . 1 . 2]" 1
50 1 42 PHE HA 1 52 VAL MG2 . . 5.210 3.910 3.775 4.241 . 0 0 "[ . 1 . 2]" 1
51 1 62 TYR QD 1 78 LEU MD1 . . 4.740 4.534 4.057 4.773 0.033 11 0 "[ . 1 . 2]" 1
52 1 52 VAL MG2 1 56 ASN H . . 5.500 5.323 5.059 5.459 . 0 0 "[ . 1 . 2]" 1
53 1 78 LEU MD1 1 88 SER H . . 4.240 3.366 2.658 3.851 . 0 0 "[ . 1 . 2]" 1
54 1 52 VAL MG2 1 53 GLY H . . 4.130 3.704 3.378 3.806 . 0 0 "[ . 1 . 2]" 1
55 1 65 ILE MG 1 66 GLU H . . 4.430 3.821 3.561 4.014 . 0 0 "[ . 1 . 2]" 1
56 1 17 GLU H 1 57 TYR QD . . 5.500 5.100 4.321 5.508 0.008 17 0 "[ . 1 . 2]" 1
57 1 43 ILE H 1 50 TYR QD . . 4.570 4.464 4.370 4.516 . 0 0 "[ . 1 . 2]" 1
58 1 43 ILE H 1 44 GLU H . . 5.300 4.469 4.452 4.485 . 0 0 "[ . 1 . 2]" 1
59 1 76 ASN H 1 77 GLU H . . 4.160 4.124 4.032 4.177 0.017 2 0 "[ . 1 . 2]" 1
60 1 74 VAL H 1 75 LEU H . . 4.540 4.347 4.246 4.399 . 0 0 "[ . 1 . 2]" 1
61 1 45 ALA H 1 50 TYR H . . 4.380 4.325 4.292 4.364 . 0 0 "[ . 1 . 2]" 1
62 1 44 GLU H 1 45 ALA H . . 4.860 4.456 4.438 4.476 . 0 0 "[ . 1 . 2]" 1
63 1 43 ILE H 1 52 VAL H . . 4.760 4.028 3.916 4.249 . 0 0 "[ . 1 . 2]" 1
64 1 45 ALA H 1 48 TYR H . . 3.580 3.517 3.434 3.588 0.008 6 0 "[ . 1 . 2]" 1
65 1 42 PHE QD 1 52 VAL H . . 5.300 5.224 5.086 5.335 0.035 10 0 "[ . 1 . 2]" 1
66 1 33 LEU H 1 41 GLY H . . 4.990 4.860 4.493 5.041 0.051 12 0 "[ . 1 . 2]" 1
67 1 57 TYR H 1 58 LEU H . . 4.680 4.522 4.514 4.531 . 0 0 "[ . 1 . 2]" 1
68 1 57 TYR QD 1 58 LEU H . . 3.860 3.680 3.632 3.754 . 0 0 "[ . 1 . 2]" 1
69 1 79 ILE H 1 89 ARG H . . 5.320 4.771 4.526 4.904 . 0 0 "[ . 1 . 2]" 1
70 1 79 ILE H 1 87 VAL H . . 3.360 2.725 2.683 2.790 . 0 0 "[ . 1 . 2]" 1
71 1 79 ILE H 1 80 GLU H . . 4.990 4.317 4.286 4.342 . 0 0 "[ . 1 . 2]" 1
72 1 29 TYR H 1 96 ASN H . . 4.450 4.154 3.940 4.292 . 0 0 "[ . 1 . 2]" 1
73 1 65 ILE H 1 66 GLU H . . 4.820 4.554 4.535 4.585 . 0 0 "[ . 1 . 2]" 1
74 1 58 LEU H 1 65 ILE H . . 4.880 4.693 4.580 4.832 . 0 0 "[ . 1 . 2]" 1
75 1 29 TYR QD 1 96 ASN H . . 3.910 3.981 3.941 4.027 0.117 2 0 "[ . 1 . 2]" 1
76 1 34 LYS H 1 40 SER H . . 5.170 4.674 4.193 5.104 . 0 0 "[ . 1 . 2]" 1
77 1 75 LEU H 1 91 ALA H . . 3.330 3.156 2.959 3.378 0.048 12 0 "[ . 1 . 2]" 1
78 1 24 LEU H 1 25 GLU H . . 3.000 2.631 2.562 2.818 . 0 0 "[ . 1 . 2]" 1
79 1 90 LYS H 1 91 ALA H . . 5.240 4.555 4.518 4.590 . 0 0 "[ . 1 . 2]" 1
80 1 69 THR H 1 70 ASP H . . 4.730 4.482 4.382 4.505 . 0 0 "[ . 1 . 2]" 1
81 1 46 GLU H 1 47 GLY H . . 3.280 3.045 2.906 3.184 . 0 0 "[ . 1 . 2]" 1
82 1 47 GLY H 1 48 TYR H . . 3.180 3.136 3.058 3.213 0.033 17 0 "[ . 1 . 2]" 1
83 1 29 TYR QD 1 42 PHE H . . 3.860 3.912 3.792 3.990 0.130 14 0 "[ . 1 . 2]" 1
84 1 31 GLY H 1 42 PHE H . . 3.870 3.648 3.519 3.746 . 0 0 "[ . 1 . 2]" 1
85 1 42 PHE H 1 42 PHE QD . . 4.580 4.239 4.213 4.290 . 0 0 "[ . 1 . 2]" 1
86 1 42 PHE QD 1 51 THR H . . 5.000 4.689 4.571 4.808 . 0 0 "[ . 1 . 2]" 1
87 1 50 TYR QD 1 51 THR H . . 4.390 4.169 4.118 4.246 . 0 0 "[ . 1 . 2]" 1
88 1 18 THR H 1 19 LEU H . . 4.300 2.759 2.628 2.797 . 0 0 "[ . 1 . 2]" 1
89 1 29 TYR H 1 30 VAL H . . 5.230 4.448 4.419 4.486 . 0 0 "[ . 1 . 2]" 1
90 1 33 LEU H 1 34 LYS H . . 4.620 4.189 3.940 4.420 . 0 0 "[ . 1 . 2]" 1
91 1 41 GLY H 1 54 VAL H . . 5.500 5.304 5.136 5.514 0.014 2 0 "[ . 1 . 2]" 1
92 1 86 TRP H 1 86 TRP HE1 . . 5.010 3.885 3.878 3.893 . 0 0 "[ . 1 . 2]" 1
93 1 85 ASN H 1 86 TRP H . . 4.440 4.355 4.347 4.363 . 0 0 "[ . 1 . 2]" 1
94 1 23 SER H 1 26 ASN HD22 . . 4.300 3.589 2.914 4.107 . 0 0 "[ . 1 . 2]" 1
95 1 85 ASN HD22 1 86 TRP H . . 4.330 4.015 3.984 4.088 . 0 0 "[ . 1 . 2]" 1
96 1 103 GLU H 1 104 GLN H . . 4.880 4.358 2.343 4.644 . 0 0 "[ . 1 . 2]" 1
97 1 69 THR H 1 73 ILE H . . 4.860 4.589 4.479 4.885 0.025 16 0 "[ . 1 . 2]" 1
98 1 73 ILE H 1 93 LEU H . . 3.260 3.153 2.924 3.267 0.007 20 0 "[ . 1 . 2]" 1
99 1 28 ARG H 1 44 GLU H . . 3.480 2.911 2.832 3.032 . 0 0 "[ . 1 . 2]" 1
100 1 28 ARG H 1 29 TYR H . . 4.750 4.364 4.333 4.382 . 0 0 "[ . 1 . 2]" 1
101 1 53 GLY H 1 56 ASN HD22 . . 4.140 3.789 3.661 3.847 . 0 0 "[ . 1 . 2]" 1
102 1 28 ARG H 1 30 VAL H . . 5.500 5.516 5.439 5.598 0.098 2 0 "[ . 1 . 2]" 1
103 1 73 ILE H 1 74 VAL H . . 4.670 4.234 4.151 4.384 . 0 0 "[ . 1 . 2]" 1
104 1 61 ASN H 1 62 TYR H . . 3.540 3.379 2.984 3.464 . 0 0 "[ . 1 . 2]" 1
105 1 101 ASN H 1 102 THR H . . 4.710 4.112 3.384 4.585 . 0 0 "[ . 1 . 2]" 1
106 1 61 ASN HD22 1 80 GLU H . . 4.210 2.959 2.864 3.092 . 0 0 "[ . 1 . 2]" 1
107 1 32 ILE H 1 42 PHE H . . 4.660 4.340 4.213 4.433 . 0 0 "[ . 1 . 2]" 1
108 1 32 ILE H 1 33 LEU H . . 4.500 4.452 4.405 4.477 . 0 0 "[ . 1 . 2]" 1
109 1 63 GLY H 1 78 LEU H . . 4.550 4.238 4.147 4.304 . 0 0 "[ . 1 . 2]" 1
110 1 92 GLU H 1 93 LEU H . . 4.590 4.252 4.155 4.397 . 0 0 "[ . 1 . 2]" 1
111 1 91 ALA H 1 92 GLU H . . 5.290 4.329 4.285 4.380 . 0 0 "[ . 1 . 2]" 1
112 1 13 LYS H 1 14 ARG H . . 2.820 2.691 2.077 2.862 0.042 6 0 "[ . 1 . 2]" 1
113 1 81 ASP H 1 83 THR H . . 5.500 3.758 3.702 3.860 . 0 0 "[ . 1 . 2]" 1
114 1 83 THR H 1 85 ASN H . . 3.900 3.870 3.853 3.882 . 0 0 "[ . 1 . 2]" 1
115 1 66 GLU H 1 76 ASN H . . 4.800 4.532 3.904 4.818 0.018 18 0 "[ . 1 . 2]" 1
116 1 19 LEU H 1 20 GLU H . . 3.250 2.704 2.604 2.741 . 0 0 "[ . 1 . 2]" 1
117 1 19 LEU H 1 22 PHE QE . . 5.500 4.635 4.400 5.081 . 0 0 "[ . 1 . 2]" 1
118 1 19 LEU H 1 48 TYR QD . . 5.500 5.531 5.497 5.584 0.084 17 0 "[ . 1 . 2]" 1
119 1 64 ARG H 1 65 ILE H . . 4.860 4.274 4.158 4.318 . 0 0 "[ . 1 . 2]" 1
120 1 66 GLU H 1 74 VAL H . . 4.990 4.621 4.405 4.947 . 0 0 "[ . 1 . 2]" 1
121 1 80 GLU H 1 87 VAL H . . 5.210 4.229 4.192 4.299 . 0 0 "[ . 1 . 2]" 1
122 1 80 GLU H 1 86 TRP H . . 5.060 5.098 5.038 5.133 0.073 15 0 "[ . 1 . 2]" 1
123 1 81 ASP H 1 84 GLY H . . 3.350 3.320 3.255 3.377 0.027 1 0 "[ . 1 . 2]" 1
124 1 84 GLY H 1 85 ASN H . . 2.600 2.485 2.440 2.508 . 0 0 "[ . 1 . 2]" 1
125 1 83 THR H 1 84 GLY H . . 2.700 2.609 2.604 2.612 . 0 0 "[ . 1 . 2]" 1
126 1 8 ASN H 1 9 ALA H . . 3.980 3.794 2.757 3.985 0.005 13 0 "[ . 1 . 2]" 1
127 1 99 ASP H 1 100 LYS H . . 3.120 2.824 1.975 3.130 0.010 10 0 "[ . 1 . 2]" 1
128 1 35 SER H 1 40 SER H . . 4.510 4.452 3.831 4.543 0.033 5 0 "[ . 1 . 2]" 1
129 1 34 LYS H 1 35 SER H . . 5.500 4.609 4.568 4.646 . 0 0 "[ . 1 . 2]" 1
130 1 35 SER H 1 36 GLY H . . 5.500 3.483 3.094 4.450 . 0 0 "[ . 1 . 2]" 1
131 1 102 THR H 1 103 GLU H . . 3.480 3.350 2.857 3.480 0.000 13 0 "[ . 1 . 2]" 1
132 1 112 GLN H 1 113 ASN H . . 5.120 3.740 2.114 4.609 . 0 0 "[ . 1 . 2]" 1
133 1 71 ASP H 1 72 SER H . . 3.670 2.561 2.484 2.887 . 0 0 "[ . 1 . 2]" 1
134 1 24 LEU H 1 26 ASN H . . 4.720 4.013 3.903 4.151 . 0 0 "[ . 1 . 2]" 1
135 1 29 TYR QD 1 72 SER H . . 4.520 4.408 4.189 4.592 0.072 12 0 "[ . 1 . 2]" 1
136 1 29 TYR QE 1 72 SER H . . 3.200 2.420 2.188 2.790 . 0 0 "[ . 1 . 2]" 1
137 1 85 ASN HD21 1 86 TRP H . . 2.820 2.681 2.628 2.769 . 0 0 "[ . 1 . 2]" 1
138 1 17 GLU H 1 20 GLU H . . 4.730 3.650 3.309 4.765 0.035 17 0 "[ . 1 . 2]" 1
139 1 20 GLU H 1 22 PHE QD . . 4.410 4.078 3.876 4.366 . 0 0 "[ . 1 . 2]" 1
140 1 20 GLU H 1 57 TYR QE . . 5.500 4.364 3.965 5.277 . 0 0 "[ . 1 . 2]" 1
141 1 62 TYR QD 1 63 GLY H . . 5.160 4.891 4.839 4.969 . 0 0 "[ . 1 . 2]" 1
142 1 58 LEU H 1 63 GLY H . . 4.350 3.309 3.208 3.451 . 0 0 "[ . 1 . 2]" 1
143 1 56 ASN H 1 65 ILE H . . 4.200 2.763 2.651 2.881 . 0 0 "[ . 1 . 2]" 1
144 1 62 TYR H 1 63 GLY H . . 3.610 3.467 3.285 3.574 . 0 0 "[ . 1 . 2]" 1
145 1 50 TYR QE 1 59 GLY H . . 5.500 3.441 3.294 3.679 . 0 0 "[ . 1 . 2]" 1
146 1 19 LEU H 1 48 TYR QE . . 4.800 4.727 4.659 4.813 0.013 20 0 "[ . 1 . 2]" 1
147 1 48 TYR QE 1 50 TYR H . . 5.500 4.492 4.373 4.622 . 0 0 "[ . 1 . 2]" 1
148 1 22 PHE QE 1 48 TYR QE . . 5.500 3.930 3.863 4.134 . 0 0 "[ . 1 . 2]" 1
149 1 48 TYR QE 1 50 TYR QD . . 5.500 4.100 3.938 4.316 . 0 0 "[ . 1 . 2]" 1
150 1 26 ASN HD21 1 27 MET H . . 4.080 3.852 3.677 4.049 . 0 0 "[ . 1 . 2]" 1
151 1 25 GLU H 1 27 MET H . . 4.310 4.151 3.929 4.247 . 0 0 "[ . 1 . 2]" 1
152 1 48 TYR H 1 49 VAL H . . 5.370 4.588 4.547 4.622 . 0 0 "[ . 1 . 2]" 1
153 1 49 VAL H 1 50 TYR QD . . 5.500 4.781 4.633 4.923 . 0 0 "[ . 1 . 2]" 1
154 1 85 ASN HD21 1 86 TRP HE3 . . 5.500 2.986 2.810 3.073 . 0 0 "[ . 1 . 2]" 1
155 1 19 LEU H 1 21 LYS H . . 4.550 4.329 4.234 4.592 0.042 17 0 "[ . 1 . 2]" 1
156 1 50 TYR QD 1 57 TYR QE . . 3.490 3.378 3.215 3.482 . 0 0 "[ . 1 . 2]" 1
157 1 50 TYR H 1 50 TYR QD . . 2.920 2.132 1.941 2.197 . 0 0 "[ . 1 . 2]" 1
158 1 22 PHE QE 1 46 GLU H . . 5.500 4.996 4.795 5.179 . 0 0 "[ . 1 . 2]" 1
159 1 45 ALA H 1 50 TYR QD . . 3.550 3.486 3.397 3.580 0.030 10 0 "[ . 1 . 2]" 1
160 1 21 LYS H 1 22 PHE QD . . 2.980 2.578 2.484 2.998 0.018 17 0 "[ . 1 . 2]" 1
161 1 42 PHE QE 1 49 VAL H . . 4.850 4.709 4.648 4.764 . 0 0 "[ . 1 . 2]" 1
162 1 53 GLY H 1 56 ASN HD21 . . 3.610 2.894 2.755 2.999 . 0 0 "[ . 1 . 2]" 1
163 1 85 ASN HD22 1 86 TRP HZ3 . . 4.500 3.839 3.781 3.914 . 0 0 "[ . 1 . 2]" 1
164 1 56 ASN H 1 56 ASN HD21 . . 4.870 4.668 4.623 4.719 . 0 0 "[ . 1 . 2]" 1
165 1 29 TYR QD 1 31 GLY H . . 3.190 2.976 2.606 3.248 0.058 20 0 "[ . 1 . 2]" 1
166 1 29 TYR QD 1 30 VAL H . . 3.030 2.300 2.016 2.524 . 0 0 "[ . 1 . 2]" 1
167 1 29 TYR QD 1 95 LEU H . . 3.040 2.636 2.550 2.789 . 0 0 "[ . 1 . 2]" 1
168 1 29 TYR QD 1 44 GLU H . . 5.200 4.802 4.608 5.030 . 0 0 "[ . 1 . 2]" 1
169 1 42 PHE HZ 1 49 VAL H . . 5.500 5.605 5.568 5.651 0.151 20 0 "[ . 1 . 2]" 1
170 1 29 TYR H 1 29 TYR QD . . 4.140 4.112 4.089 4.129 . 0 0 "[ . 1 . 2]" 1
171 1 29 TYR QD 1 73 ILE H . . 4.570 4.642 4.473 4.728 0.158 7 0 "[ . 1 . 2]" 1
172 1 19 LEU H 1 22 PHE QD . . 4.680 4.395 4.331 4.560 . 0 0 "[ . 1 . 2]" 1
173 1 22 PHE QD 1 46 GLU H . . 5.500 3.955 3.815 4.087 . 0 0 "[ . 1 . 2]" 1
174 1 25 GLU H 1 26 ASN HD21 . . 4.250 3.535 3.278 3.747 . 0 0 "[ . 1 . 2]" 1
175 1 22 PHE QD 1 48 TYR QE . . 5.500 5.535 5.458 5.595 0.095 10 0 "[ . 1 . 2]" 1
176 1 26 ASN H 1 26 ASN HD21 . . 5.500 1.936 1.865 2.233 . 0 0 "[ . 1 . 2]" 1
177 1 61 ASN H 1 61 ASN HD21 . . 4.960 4.921 4.875 5.137 0.177 10 0 "[ . 1 . 2]" 1
178 1 61 ASN HD21 1 79 ILE H . . 5.500 4.773 4.663 4.870 . 0 0 "[ . 1 . 2]" 1
179 1 42 PHE QD 1 50 TYR H . . 5.500 3.535 3.423 3.675 . 0 0 "[ . 1 . 2]" 1
180 1 42 PHE QD 1 43 ILE H . . 3.750 2.449 2.335 2.548 . 0 0 "[ . 1 . 2]" 1
181 1 30 VAL H 1 42 PHE QD . . 5.210 4.507 4.370 4.589 . 0 0 "[ . 1 . 2]" 1
182 1 33 LEU H 1 42 PHE QD . . 5.500 4.614 4.232 5.126 . 0 0 "[ . 1 . 2]" 1
183 1 32 ILE H 1 42 PHE QD . . 4.970 4.925 4.402 5.071 0.101 16 0 "[ . 1 . 2]" 1
184 1 28 ARG H 1 50 TYR QE . . 5.500 4.763 4.620 5.061 . 0 0 "[ . 1 . 2]" 1
185 1 50 TYR QE 1 57 TYR H . . 5.500 5.382 5.179 5.499 . 0 0 "[ . 1 . 2]" 1
186 1 48 TYR QD 1 49 VAL H . . 2.700 2.564 2.442 2.665 . 0 0 "[ . 1 . 2]" 1
187 1 45 ALA H 1 48 TYR QD . . 4.020 3.894 3.784 4.042 0.022 7 0 "[ . 1 . 2]" 1
188 1 45 ALA H 1 50 TYR QE . . 4.370 3.833 3.684 4.027 . 0 0 "[ . 1 . 2]" 1
189 1 48 TYR H 1 48 TYR QD . . 4.230 4.114 4.080 4.142 . 0 0 "[ . 1 . 2]" 1
190 1 48 TYR QD 1 50 TYR H . . 4.200 3.313 3.252 3.380 . 0 0 "[ . 1 . 2]" 1
191 1 50 TYR QE 1 57 TYR QE . . 4.540 4.485 4.289 4.569 0.029 17 0 "[ . 1 . 2]" 1
192 1 42 PHE QE 1 48 TYR QD . . 5.180 5.123 5.050 5.201 0.021 20 0 "[ . 1 . 2]" 1
193 1 56 ASN HD21 1 57 TYR QD . . 5.080 5.092 5.015 5.159 0.079 20 0 "[ . 1 . 2]" 1
194 1 57 TYR H 1 57 TYR QD . . 2.800 1.946 1.882 1.994 . 0 0 "[ . 1 . 2]" 1
195 1 30 VAL H 1 31 GLY H . . 3.100 2.219 2.142 2.261 . 0 0 "[ . 1 . 2]" 1
196 1 31 GLY H 1 43 ILE H . . 5.500 5.223 5.080 5.268 . 0 0 "[ . 1 . 2]" 1
197 1 29 TYR QE 1 31 GLY H . . 3.920 3.476 3.365 3.665 . 0 0 "[ . 1 . 2]" 1
198 1 57 TYR QE 1 58 LEU H . . 5.290 5.228 5.169 5.316 0.026 10 0 "[ . 1 . 2]" 1
199 1 57 TYR H 1 57 TYR QE . . 4.440 4.280 4.221 4.327 . 0 0 "[ . 1 . 2]" 1
200 1 19 LEU H 1 57 TYR QE . . 4.460 3.938 3.693 4.265 . 0 0 "[ . 1 . 2]" 1
201 1 29 TYR QE 1 41 GLY H . . 5.110 4.968 4.826 5.046 . 0 0 "[ . 1 . 2]" 1
202 1 29 TYR QE 1 42 PHE H . . 3.040 1.947 1.914 2.021 . 0 0 "[ . 1 . 2]" 1
203 1 29 TYR QE 1 30 VAL H . . 4.200 4.149 4.036 4.209 0.009 18 0 "[ . 1 . 2]" 1
204 1 29 TYR QE 1 32 ILE H . . 5.120 5.110 4.977 5.237 0.117 20 0 "[ . 1 . 2]" 1
205 1 29 TYR QE 1 42 PHE QD . . 5.500 5.212 5.125 5.282 . 0 0 "[ . 1 . 2]" 1
206 1 29 TYR QE 1 73 ILE H . . 4.360 4.139 3.717 4.367 0.007 8 0 "[ . 1 . 2]" 1
207 1 22 PHE H 1 23 SER H . . 4.570 4.421 4.355 4.552 . 0 0 "[ . 1 . 2]" 1
208 1 44 GLU HA 1 50 TYR H . . 3.590 2.842 2.807 2.886 . 0 0 "[ . 1 . 2]" 1
209 1 42 PHE HA 1 50 TYR H . . 5.500 5.255 5.141 5.336 . 0 0 "[ . 1 . 2]" 1
210 1 16 LYS HA 1 17 GLU H . . 3.570 2.836 2.173 3.568 . 0 0 "[ . 1 . 2]" 1
211 1 27 MET HA 1 44 GLU H . . 4.880 4.411 4.291 4.620 . 0 0 "[ . 1 . 2]" 1
212 1 80 GLU HA 1 87 VAL H . . 3.500 3.022 2.923 3.127 . 0 0 "[ . 1 . 2]" 1
213 1 66 GLU H 1 75 LEU HA . . 3.200 2.611 2.052 2.857 . 0 0 "[ . 1 . 2]" 1
214 1 55 GLY HA3 1 66 GLU H . . 5.500 5.483 5.324 5.558 0.058 12 0 "[ . 1 . 2]" 1
215 1 66 GLU H 1 67 SER HA . . 5.500 4.671 4.540 4.924 . 0 0 "[ . 1 . 2]" 1
216 1 42 PHE HA 1 43 ILE H . . 2.700 2.141 2.139 2.147 . 0 0 "[ . 1 . 2]" 1
217 1 43 ILE H 1 49 VAL HA . . 5.500 5.409 5.271 5.485 . 0 0 "[ . 1 . 2]" 1
218 1 43 ILE H 1 50 TYR HA . . 5.500 5.217 5.142 5.262 . 0 0 "[ . 1 . 2]" 1
219 1 43 ILE H 1 51 THR HA . . 3.350 2.597 2.514 2.691 . 0 0 "[ . 1 . 2]" 1
220 1 59 GLY HA2 1 61 ASN H . . 5.080 4.549 3.629 4.729 . 0 0 "[ . 1 . 2]" 1
221 1 59 GLY HA3 1 61 ASN H . . 5.500 5.377 4.674 5.544 0.044 15 0 "[ . 1 . 2]" 1
222 1 75 LEU H 1 92 GLU HA . . 3.660 3.311 3.097 3.559 . 0 0 "[ . 1 . 2]" 1
223 1 44 GLU HA 1 45 ALA H . . 2.640 2.223 2.211 2.227 . 0 0 "[ . 1 . 2]" 1
224 1 42 PHE HA 1 52 VAL H . . 3.720 3.214 3.111 3.352 . 0 0 "[ . 1 . 2]" 1
225 1 51 THR HA 1 52 VAL H . . 2.400 2.327 2.297 2.401 0.001 10 0 "[ . 1 . 2]" 1
226 1 51 THR HB 1 52 VAL H . . 4.000 3.289 3.032 3.428 . 0 0 "[ . 1 . 2]" 1
227 1 58 LEU H 1 64 ARG HA . . 4.310 3.588 3.455 3.705 . 0 0 "[ . 1 . 2]" 1
228 1 79 ILE H 1 88 SER HA . . 4.200 3.974 3.821 4.041 . 0 0 "[ . 1 . 2]" 1
229 1 79 ILE H 1 87 VAL HA . . 5.500 4.589 4.534 4.627 . 0 0 "[ . 1 . 2]" 1
230 1 79 ILE H 1 80 GLU HA . . 5.270 4.832 4.767 4.898 . 0 0 "[ . 1 . 2]" 1
231 1 55 GLY HA3 1 65 ILE H . . 5.500 4.618 4.460 4.805 . 0 0 "[ . 1 . 2]" 1
232 1 64 ARG HA 1 65 ILE H . . 2.950 2.146 2.140 2.158 . 0 0 "[ . 1 . 2]" 1
233 1 57 TYR HA 1 65 ILE H . . 3.640 3.503 3.385 3.712 0.072 20 0 "[ . 1 . 2]" 1
234 1 65 ILE H 1 75 LEU HA . . 5.500 4.862 4.685 4.986 . 0 0 "[ . 1 . 2]" 1
235 1 30 VAL HA 1 96 ASN H . . 5.240 5.164 4.829 5.338 0.098 12 0 "[ . 1 . 2]" 1
236 1 72 SER HA 1 93 LEU H . . 5.030 4.830 4.581 4.922 . 0 0 "[ . 1 . 2]" 1
237 1 23 SER HA 1 24 LEU H . . 2.830 2.368 2.269 2.428 . 0 0 "[ . 1 . 2]" 1
238 1 33 LEU HA 1 34 LYS H . . 2.600 2.179 2.138 2.266 . 0 0 "[ . 1 . 2]" 1
239 1 35 SER HA 1 36 GLY H . . 2.860 2.462 2.412 2.578 . 0 0 "[ . 1 . 2]" 1
240 1 69 THR H 1 73 ILE HA . . 3.430 2.647 2.462 2.858 . 0 0 "[ . 1 . 2]" 1
241 1 72 SER HA 1 94 LEU H . . 4.720 4.729 4.680 4.811 0.091 17 0 "[ . 1 . 2]" 1
242 1 81 ASP H 1 86 TRP HA . . 4.110 3.952 3.831 4.048 . 0 0 "[ . 1 . 2]" 1
243 1 80 GLU HA 1 81 ASP H . . 2.470 2.260 2.215 2.308 . 0 0 "[ . 1 . 2]" 1
244 1 34 LYS HA 1 40 SER H . . 3.930 3.342 2.804 3.879 . 0 0 "[ . 1 . 2]" 1
245 1 81 ASP H 1 83 THR HB . . 5.500 4.206 4.114 4.324 . 0 0 "[ . 1 . 2]" 1
246 1 51 THR H 1 51 THR HB . . 3.090 2.950 2.828 3.021 . 0 0 "[ . 1 . 2]" 1
247 1 29 TYR HA 1 30 VAL H . . 2.810 2.139 2.138 2.141 . 0 0 "[ . 1 . 2]" 1
248 1 32 ILE HA 1 33 LEU H . . 2.610 2.409 2.343 2.466 . 0 0 "[ . 1 . 2]" 1
249 1 89 ARG HA 1 90 LYS H . . 2.600 2.158 2.155 2.160 . 0 0 "[ . 1 . 2]" 1
250 1 22 PHE HA 1 23 SER H . . 2.400 2.233 2.182 2.319 . 0 0 "[ . 1 . 2]" 1
251 1 25 GLU H 1 26 ASN HA . . 5.410 5.332 5.241 5.361 . 0 0 "[ . 1 . 2]" 1
252 1 73 ILE H 1 92 GLU HA . . 4.260 4.142 3.953 4.329 0.069 16 0 "[ . 1 . 2]" 1
253 1 72 SER HA 1 73 ILE H . . 2.900 2.214 2.154 2.335 . 0 0 "[ . 1 . 2]" 1
254 1 59 GLY HA2 1 60 GLN H . . 3.060 2.360 2.290 2.412 . 0 0 "[ . 1 . 2]" 1
255 1 27 MET HA 1 28 ARG H . . 2.400 2.185 2.163 2.244 . 0 0 "[ . 1 . 2]" 1
256 1 100 LYS HA 1 101 ASN H . . 2.700 2.485 2.234 2.730 0.030 10 0 "[ . 1 . 2]" 1
257 1 57 TYR H 1 58 LEU HA . . 5.470 5.298 5.283 5.336 . 0 0 "[ . 1 . 2]" 1
258 1 91 ALA HA 1 92 GLU H . . 2.400 2.276 2.202 2.398 . 0 0 "[ . 1 . 2]" 1
259 1 98 SER H 1 98 SER HB3 . . 3.630 2.948 2.360 3.633 0.003 2 0 "[ . 1 . 2]" 1
260 1 31 GLY HA3 1 32 ILE H . . 2.860 2.832 2.742 2.932 0.072 1 0 "[ . 1 . 2]" 1
261 1 12 THR HB 1 13 LYS H . . 2.840 2.547 1.907 3.421 0.581 9 1 "[ . +1 . 2]" 1
262 1 19 LEU H 1 19 LEU HA . . 2.850 2.780 2.765 2.827 . 0 0 "[ . 1 . 2]" 1
263 1 88 SER H 1 88 SER QB . . 2.640 2.395 2.196 2.886 0.246 19 0 "[ . 1 . 2]" 1
264 1 75 LEU HA 1 76 ASN H . . 2.650 2.432 2.388 2.489 . 0 0 "[ . 1 . 2]" 1
265 1 17 GLU HA 1 19 LEU H . . 4.370 4.287 4.071 4.391 0.021 7 0 "[ . 1 . 2]" 1
266 1 57 TYR HA 1 64 ARG H . . 5.500 4.905 4.808 5.039 . 0 0 "[ . 1 . 2]" 1
267 1 63 GLY HA3 1 64 ARG H . . 2.720 2.174 2.155 2.196 . 0 0 "[ . 1 . 2]" 1
268 1 3 ASP HA 1 4 LYS H . . 2.400 2.242 2.137 2.401 0.001 8 0 "[ . 1 . 2]" 1
269 1 105 ALA HA 1 106 ALA H . . 2.550 2.344 2.152 2.550 0.000 2 0 "[ . 1 . 2]" 1
270 1 64 ARG H 1 76 ASN HA . . 5.500 4.642 4.574 4.720 . 0 0 "[ . 1 . 2]" 1
271 1 83 THR HA 1 84 GLY H . . 3.390 3.375 3.370 3.381 . 0 0 "[ . 1 . 2]" 1
272 1 84 GLY H 1 84 GLY HA3 . . 2.400 2.317 2.314 2.326 . 0 0 "[ . 1 . 2]" 1
273 1 79 ILE HA 1 80 GLU H . . 2.400 2.229 2.215 2.246 . 0 0 "[ . 1 . 2]" 1
274 1 83 THR HB 1 84 GLY H . . 3.770 3.375 3.350 3.399 . 0 0 "[ . 1 . 2]" 1
275 1 106 ALA HA 1 107 ALA H . . 2.550 2.402 2.141 2.550 0.000 11 0 "[ . 1 . 2]" 1
276 1 15 ILE HA 1 16 LYS H . . 2.450 2.409 2.220 2.485 0.035 11 0 "[ . 1 . 2]" 1
277 1 112 GLN HA 1 113 ASN H . . 3.550 2.669 2.142 3.556 0.006 17 0 "[ . 1 . 2]" 1
278 1 102 THR H 1 103 GLU HA . . 4.600 4.511 4.258 4.601 0.001 20 0 "[ . 1 . 2]" 1
279 1 83 THR HA 1 85 ASN H . . 4.710 4.460 4.409 4.528 . 0 0 "[ . 1 . 2]" 1
280 1 80 GLU HA 1 85 ASN H . . 4.220 3.906 3.826 3.991 . 0 0 "[ . 1 . 2]" 1
281 1 81 ASP HA 1 85 ASN H . . 5.500 5.495 5.399 5.552 0.052 19 0 "[ . 1 . 2]" 1
282 1 37 GLN HA 1 38 LYS H . . 3.410 2.880 2.661 3.067 . 0 0 "[ . 1 . 2]" 1
283 1 35 SER QB 1 38 LYS H . . 4.810 3.726 1.979 4.509 . 0 0 "[ . 1 . 2]" 1
284 1 46 GLU HA 1 48 TYR H . . 4.310 4.339 4.300 4.360 0.050 13 0 "[ . 1 . 2]" 1
285 1 26 ASN H 1 27 MET HA . . 5.500 4.927 4.811 5.019 . 0 0 "[ . 1 . 2]" 1
286 1 70 ASP HA 1 71 ASP H . . 2.890 2.141 2.138 2.149 . 0 0 "[ . 1 . 2]" 1
287 1 47 GLY HA2 1 48 TYR H . . 3.050 2.834 2.790 2.876 . 0 0 "[ . 1 . 2]" 1
288 1 94 LEU HA 1 95 LEU H . . 2.680 2.183 2.157 2.209 . 0 0 "[ . 1 . 2]" 1
289 1 72 SER HA 1 95 LEU H . . 3.390 3.096 2.805 3.164 . 0 0 "[ . 1 . 2]" 1
290 1 58 LEU HA 1 59 GLY H . . 2.590 2.574 2.566 2.593 0.003 12 0 "[ . 1 . 2]" 1
291 1 59 GLY H 1 59 GLY HA2 . . 2.890 2.894 2.881 2.925 0.035 10 0 "[ . 1 . 2]" 1
292 1 56 ASN H 1 64 ARG HA . . 4.580 4.235 4.150 4.307 . 0 0 "[ . 1 . 2]" 1
293 1 67 SER H 1 68 ILE HA . . 5.310 5.075 4.754 5.202 . 0 0 "[ . 1 . 2]" 1
294 1 48 TYR QE 1 50 TYR HA . . 3.670 3.547 3.402 3.690 0.020 12 0 "[ . 1 . 2]" 1
295 1 26 ASN HA 1 27 MET H . . 3.550 3.481 3.361 3.500 . 0 0 "[ . 1 . 2]" 1
296 1 24 LEU HA 1 27 MET H . . 4.310 2.994 2.884 3.137 . 0 0 "[ . 1 . 2]" 1
297 1 18 THR HB 1 48 TYR QE . . 4.500 2.640 2.270 2.915 . 0 0 "[ . 1 . 2]" 1
298 1 30 VAL HA 1 96 ASN QD . . 5.500 4.233 4.156 4.488 . 0 0 "[ . 1 . 2]" 1
299 1 19 LEU HA 1 21 LYS H . . 4.030 3.574 3.495 3.935 . 0 0 "[ . 1 . 2]" 1
300 1 19 LEU HA 1 22 PHE QE . . 4.270 3.356 3.149 3.847 . 0 0 "[ . 1 . 2]" 1
301 1 44 GLU HA 1 50 TYR QD . . 3.680 2.942 2.894 3.075 . 0 0 "[ . 1 . 2]" 1
302 1 49 VAL HA 1 50 TYR QD . . 3.950 3.491 3.367 3.542 . 0 0 "[ . 1 . 2]" 1
303 1 50 TYR HA 1 50 TYR QD . . 4.320 3.720 3.706 3.728 . 0 0 "[ . 1 . 2]" 1
304 1 45 ALA HA 1 50 TYR QD . . 5.500 5.600 5.519 5.668 0.168 11 0 "[ . 1 . 2]" 1
305 1 80 GLU HA 1 86 TRP HD1 . . 5.450 4.910 4.759 4.997 . 0 0 "[ . 1 . 2]" 1
306 1 42 PHE QE 1 49 VAL HA . . 3.710 2.602 2.541 2.693 . 0 0 "[ . 1 . 2]" 1
307 1 42 PHE HA 1 42 PHE QE . . 4.530 4.390 4.353 4.444 . 0 0 "[ . 1 . 2]" 1
308 1 42 PHE QE 1 51 THR HA . . 4.550 4.444 4.308 4.540 . 0 0 "[ . 1 . 2]" 1
309 1 42 PHE QE 1 51 THR HB . . 5.300 5.177 4.909 5.322 0.022 16 0 "[ . 1 . 2]" 1
310 1 29 TYR HA 1 29 TYR QD . . 2.580 1.716 1.661 1.866 . 0 0 "[ . 1 . 2]" 1
311 1 29 TYR QD 1 43 ILE HA . . 3.630 2.984 2.736 3.281 . 0 0 "[ . 1 . 2]" 1
312 1 29 TYR QD 1 72 SER HA . . 3.900 3.750 3.480 3.856 . 0 0 "[ . 1 . 2]" 1
313 1 29 TYR QD 1 30 VAL HA . . 4.740 4.744 4.460 4.973 0.233 20 0 "[ . 1 . 2]" 1
314 1 29 TYR QD 1 94 LEU HA . . 4.260 3.723 3.524 3.889 . 0 0 "[ . 1 . 2]" 1
315 1 29 TYR QD 1 95 LEU HA . . 3.030 2.022 1.962 2.123 . 0 0 "[ . 1 . 2]" 1
316 1 29 TYR QD 1 71 ASP HA . . 4.670 3.852 3.385 4.287 . 0 0 "[ . 1 . 2]" 1
317 1 22 PHE QD 1 46 GLU HA . . 4.680 4.493 4.345 4.687 0.007 3 0 "[ . 1 . 2]" 1
318 1 22 PHE QD 1 45 ALA HA . . 4.820 4.127 3.987 4.239 . 0 0 "[ . 1 . 2]" 1
319 1 22 PHE HA 1 22 PHE QD . . 3.190 3.158 3.133 3.196 0.006 17 0 "[ . 1 . 2]" 1
320 1 19 LEU HA 1 22 PHE QD . . 2.760 2.192 2.088 2.471 . 0 0 "[ . 1 . 2]" 1
321 1 21 LYS HA 1 22 PHE QD . . 4.520 4.299 4.234 4.543 0.023 17 0 "[ . 1 . 2]" 1
322 1 20 GLU HA 1 22 PHE QD . . 5.150 4.844 4.747 5.109 . 0 0 "[ . 1 . 2]" 1
323 1 61 ASN HA 1 61 ASN HD21 . . 4.030 3.849 3.768 4.015 . 0 0 "[ . 1 . 2]" 1
324 1 61 ASN HD21 1 79 ILE HA . . 3.900 2.001 1.936 2.084 . 0 0 "[ . 1 . 2]" 1
325 1 61 ASN HD21 1 80 GLU HA . . 5.500 5.380 5.212 5.528 0.028 8 0 "[ . 1 . 2]" 1
326 1 33 LEU HA 1 42 PHE QD . . 5.500 4.400 3.966 5.112 . 0 0 "[ . 1 . 2]" 1
327 1 42 PHE HA 1 42 PHE QD . . 3.050 2.641 2.546 2.771 . 0 0 "[ . 1 . 2]" 1
328 1 42 PHE QD 1 51 THR HA . . 3.520 3.500 3.365 3.578 0.058 17 0 "[ . 1 . 2]" 1
329 1 32 ILE HA 1 42 PHE QD . . 4.690 4.379 4.013 4.719 0.029 20 0 "[ . 1 . 2]" 1
330 1 42 PHE QD 1 51 THR HB . . 5.180 4.891 4.657 5.079 . 0 0 "[ . 1 . 2]" 1
331 1 43 ILE HA 1 50 TYR QE . . 5.500 4.876 4.663 5.098 . 0 0 "[ . 1 . 2]" 1
332 1 48 TYR QD 1 49 VAL HA . . 3.490 3.412 3.348 3.458 . 0 0 "[ . 1 . 2]" 1
333 1 44 GLU HA 1 48 TYR QD . . 4.740 4.222 4.120 4.340 . 0 0 "[ . 1 . 2]" 1
334 1 44 GLU HA 1 50 TYR QE . . 4.960 3.591 3.481 3.805 . 0 0 "[ . 1 . 2]" 1
335 1 50 TYR QE 1 58 LEU HA . . 4.940 2.202 2.037 2.335 . 0 0 "[ . 1 . 2]" 1
336 1 57 TYR HA 1 57 TYR QD . . 3.830 3.666 3.659 3.671 . 0 0 "[ . 1 . 2]" 1
337 1 29 TYR HA 1 31 GLY H . . 4.310 3.872 3.833 3.965 . 0 0 "[ . 1 . 2]" 1
338 1 31 GLY H 1 32 ILE HA . . 5.500 4.611 4.573 4.640 . 0 0 "[ . 1 . 2]" 1
339 1 62 TYR QE 1 86 TRP HA . . 5.500 4.770 4.404 5.224 . 0 0 "[ . 1 . 2]" 1
340 1 85 ASN HD22 1 86 TRP HA . . 5.500 4.982 4.934 5.060 . 0 0 "[ . 1 . 2]" 1
341 1 61 ASN HA 1 62 TYR QE . . 4.580 4.301 4.095 4.486 . 0 0 "[ . 1 . 2]" 1
342 1 29 TYR QE 1 72 SER HA . . 3.280 3.229 3.015 3.374 0.094 16 0 "[ . 1 . 2]" 1
343 1 29 TYR QE 1 32 ILE HA . . 3.570 3.618 3.424 3.724 0.154 20 0 "[ . 1 . 2]" 1
344 1 22 PHE H 1 23 SER HA . . 5.320 4.870 4.791 5.131 . 0 0 "[ . 1 . 2]" 1
345 1 29 TYR QE 1 73 ILE HA . . 5.500 5.004 4.731 5.151 . 0 0 "[ . 1 . 2]" 1
346 1 29 TYR QE 1 71 ASP HA . . 4.570 2.966 2.330 3.583 . 0 0 "[ . 1 . 2]" 1
347 1 29 TYR QE 1 94 LEU HA . . 5.240 4.486 4.129 4.801 . 0 0 "[ . 1 . 2]" 1
348 1 29 TYR QE 1 95 LEU HA . . 4.090 4.060 3.979 4.136 0.046 16 0 "[ . 1 . 2]" 1
349 1 19 LEU HA 1 22 PHE H . . 4.110 3.855 3.423 3.993 . 0 0 "[ . 1 . 2]" 1
350 1 86 TRP HB3 1 86 TRP HE1 . . 5.080 4.776 4.774 4.778 . 0 0 "[ . 1 . 2]" 1
351 1 50 TYR H 1 50 TYR HB3 . . 3.170 3.048 3.020 3.094 . 0 0 "[ . 1 . 2]" 1
352 1 44 GLU HB2 1 50 TYR H . . 4.380 4.162 4.068 4.312 . 0 0 "[ . 1 . 2]" 1
353 1 49 VAL QG 1 50 TYR H . . 3.550 3.545 3.499 3.576 0.026 8 0 "[ . 1 . 2]" 1
354 1 19 LEU MD2 1 50 TYR H . . 4.830 4.702 4.454 4.854 0.024 13 0 "[ . 1 . 2]" 1
355 1 49 VAL HB 1 50 TYR H . . 4.250 3.669 3.637 3.708 . 0 0 "[ . 1 . 2]" 1
356 1 17 GLU H 1 20 GLU QG . . 5.380 3.099 1.875 4.513 . 0 0 "[ . 1 . 2]" 1
357 1 17 GLU H 1 17 GLU QB . . 2.960 2.519 2.050 2.733 . 0 0 "[ . 1 . 2]" 1
358 1 16 LYS QB 1 17 GLU H . . 3.720 2.246 1.871 3.645 . 0 0 "[ . 1 . 2]" 1
359 1 16 LYS QD 1 17 GLU H . . 4.400 3.948 3.198 4.469 0.069 7 0 "[ . 1 . 2]" 1
360 1 16 LYS QG 1 17 GLU H . . 4.680 3.960 3.105 4.704 0.024 10 0 "[ . 1 . 2]" 1
361 1 30 VAL HB 1 44 GLU H . . 5.410 5.372 5.186 5.432 0.022 20 0 "[ . 1 . 2]" 1
362 1 44 GLU H 1 44 GLU HB3 . . 3.010 2.431 2.381 2.475 . 0 0 "[ . 1 . 2]" 1
363 1 43 ILE HB 1 44 GLU H . . 4.470 3.984 3.897 4.033 . 0 0 "[ . 1 . 2]" 1
364 1 44 GLU H 1 44 GLU QG . . 4.680 3.727 3.604 4.110 . 0 0 "[ . 1 . 2]" 1
365 1 43 ILE QG 1 44 GLU H . . 4.560 3.936 3.838 4.011 . 0 0 "[ . 1 . 2]" 1
366 1 30 VAL MG1 1 44 GLU H . . 3.000 2.889 2.808 3.018 0.018 2 0 "[ . 1 . 2]" 1
367 1 28 ARG QD 1 29 TYR H . . 5.500 4.311 2.433 5.087 . 0 0 "[ . 1 . 2]" 1
368 1 29 TYR H 1 29 TYR HB2 . . 2.910 2.308 2.189 2.375 . 0 0 "[ . 1 . 2]" 1
369 1 29 TYR H 1 29 TYR HB3 . . 3.010 2.849 2.763 3.013 0.003 2 0 "[ . 1 . 2]" 1
370 1 29 TYR H 1 93 LEU HB2 . . 5.500 5.527 5.400 5.569 0.069 6 0 "[ . 1 . 2]" 1
371 1 29 TYR H 1 93 LEU MD1 . . 4.060 2.703 2.572 2.762 . 0 0 "[ . 1 . 2]" 1
372 1 79 ILE MD 1 87 VAL H . . 4.230 3.083 3.049 3.122 . 0 0 "[ . 1 . 2]" 1
373 1 29 TYR H 1 73 ILE MD . . 5.170 4.726 4.463 5.040 . 0 0 "[ . 1 . 2]" 1
374 1 86 TRP HB2 1 87 VAL H . . 3.880 3.628 3.586 3.722 . 0 0 "[ . 1 . 2]" 1
375 1 66 GLU H 1 66 GLU QG . . 3.830 3.262 2.988 3.454 . 0 0 "[ . 1 . 2]" 1
376 1 80 GLU HG3 1 87 VAL H . . 5.500 5.348 5.186 5.515 0.015 5 0 "[ . 1 . 2]" 1
377 1 66 GLU H 1 75 LEU HB2 . . 5.120 3.956 3.728 4.142 . 0 0 "[ . 1 . 2]" 1
378 1 46 GLU H 1 47 GLY HA3 . . 5.500 5.371 5.253 5.487 . 0 0 "[ . 1 . 2]" 1
379 1 26 ASN HB3 1 46 GLU H . . 4.500 2.621 2.196 3.279 . 0 0 "[ . 1 . 2]" 1
380 1 27 MET QG 1 46 GLU H . . 5.480 4.936 4.226 5.374 . 0 0 "[ . 1 . 2]" 1
381 1 27 MET ME 1 46 GLU H . . 5.500 5.493 5.327 5.557 0.057 1 0 "[ . 1 . 2]" 1
382 1 27 MET ME 1 61 ASN H . . 5.500 5.536 5.442 5.636 0.136 15 0 "[ . 1 . 2]" 1
383 1 45 ALA MB 1 46 GLU H . . 3.430 3.375 3.258 3.450 0.020 9 0 "[ . 1 . 2]" 1
384 1 43 ILE H 1 43 ILE HB . . 2.900 2.596 2.532 2.666 . 0 0 "[ . 1 . 2]" 1
385 1 43 ILE H 1 73 ILE MD . . 5.400 5.153 4.942 5.280 . 0 0 "[ . 1 . 2]" 1
386 1 26 ASN HB2 1 46 GLU H . . 3.920 3.780 3.433 3.964 0.044 13 0 "[ . 1 . 2]" 1
387 1 43 ILE H 1 43 ILE QG . . 3.790 3.482 3.392 3.599 . 0 0 "[ . 1 . 2]" 1
388 1 60 GLN HB3 1 61 ASN H . . 4.780 2.410 1.969 4.189 . 0 0 "[ . 1 . 2]" 1
389 1 63 GLY HA2 1 77 GLU H . . 5.500 5.303 5.153 5.442 . 0 0 "[ . 1 . 2]" 1
390 1 76 ASN HB3 1 77 GLU H . . 4.660 4.235 3.758 4.540 . 0 0 "[ . 1 . 2]" 1
391 1 75 LEU H 1 90 LYS QD . . 5.500 5.106 4.110 5.521 0.021 6 0 "[ . 1 . 2]" 1
392 1 77 GLU H 1 91 ALA MB . . 5.280 4.240 3.687 4.897 . 0 0 "[ . 1 . 2]" 1
393 1 75 LEU H 1 92 GLU HB2 . . 5.500 4.694 4.475 5.063 . 0 0 "[ . 1 . 2]" 1
394 1 75 LEU H 1 91 ALA MB . . 4.640 4.253 3.957 4.427 . 0 0 "[ . 1 . 2]" 1
395 1 45 ALA H 1 50 TYR HB3 . . 5.500 5.584 5.532 5.652 0.152 12 0 "[ . 1 . 2]" 1
396 1 51 THR MG 1 52 VAL H . . 3.000 1.994 1.913 2.121 . 0 0 "[ . 1 . 2]" 1
397 1 52 VAL H 1 52 VAL MG1 . . 3.530 3.128 2.957 3.188 . 0 0 "[ . 1 . 2]" 1
398 1 52 VAL H 1 52 VAL MG2 . . 3.530 2.270 2.198 2.362 . 0 0 "[ . 1 . 2]" 1
399 1 40 SER HB3 1 41 GLY H . . 3.790 3.380 2.510 3.939 0.149 18 0 "[ . 1 . 2]" 1
400 1 43 ILE QG 1 52 VAL H . . 5.500 5.591 5.557 5.640 0.140 17 0 "[ . 1 . 2]" 1
401 1 57 TYR HB2 1 58 LEU H . . 3.470 2.883 2.839 2.932 . 0 0 "[ . 1 . 2]" 1
402 1 58 LEU H 1 58 LEU HB2 . . 4.150 4.003 3.980 4.020 . 0 0 "[ . 1 . 2]" 1
403 1 58 LEU H 1 58 LEU MD2 . . 2.530 2.433 2.206 2.654 0.124 15 0 "[ . 1 . 2]" 1
404 1 79 ILE H 1 87 VAL MG2 . . 3.580 2.850 2.686 3.092 . 0 0 "[ . 1 . 2]" 1
405 1 79 ILE H 1 86 TRP HB3 . . 5.500 4.334 4.236 4.427 . 0 0 "[ . 1 . 2]" 1
406 1 77 GLU QG 1 79 ILE H . . 4.780 3.965 3.882 4.054 . 0 0 "[ . 1 . 2]" 1
407 1 79 ILE H 1 79 ILE HB . . 3.790 3.731 3.722 3.754 . 0 0 "[ . 1 . 2]" 1
408 1 78 LEU QB 1 79 ILE H . . 3.640 3.352 3.273 3.398 . 0 0 "[ . 1 . 2]" 1
409 1 79 ILE H 1 79 ILE HG12 . . 3.970 3.917 3.885 3.972 0.002 15 0 "[ . 1 . 2]" 1
410 1 79 ILE H 1 79 ILE HG13 . . 3.280 2.561 2.515 2.620 . 0 0 "[ . 1 . 2]" 1
411 1 79 ILE H 1 87 VAL MG1 . . 5.500 4.863 4.646 4.996 . 0 0 "[ . 1 . 2]" 1
412 1 79 ILE H 1 79 ILE MG . . 3.640 3.598 3.571 3.628 . 0 0 "[ . 1 . 2]" 1
413 1 56 ASN HB2 1 65 ILE H . . 5.500 4.719 4.669 4.785 . 0 0 "[ . 1 . 2]" 1
414 1 64 ARG QD 1 65 ILE H . . 5.500 3.888 3.216 5.178 . 0 0 "[ . 1 . 2]" 1
415 1 29 TYR HB2 1 96 ASN H . . 4.050 3.900 3.391 4.129 0.079 6 0 "[ . 1 . 2]" 1
416 1 65 ILE H 1 65 ILE HB . . 3.060 2.753 2.660 2.844 . 0 0 "[ . 1 . 2]" 1
417 1 64 ARG HB3 1 65 ILE H . . 3.950 3.461 3.299 3.731 . 0 0 "[ . 1 . 2]" 1
418 1 65 ILE H 1 75 LEU HB2 . . 4.300 3.659 3.525 3.817 . 0 0 "[ . 1 . 2]" 1
419 1 65 ILE H 1 65 ILE MG . . 2.610 1.984 1.863 2.140 . 0 0 "[ . 1 . 2]" 1
420 1 95 LEU QB 1 96 ASN H . . 4.090 3.741 3.689 3.796 . 0 0 "[ . 1 . 2]" 1
421 1 73 ILE MD 1 93 LEU H . . 5.500 4.543 4.455 4.710 . 0 0 "[ . 1 . 2]" 1
422 1 33 LEU HB3 1 34 LYS H . . 4.580 3.953 3.661 4.287 . 0 0 "[ . 1 . 2]" 1
423 1 93 LEU H 1 93 LEU HG . . 4.760 3.218 3.063 3.439 . 0 0 "[ . 1 . 2]" 1
424 1 92 GLU QG 1 93 LEU H . . 3.280 3.038 2.685 3.228 . 0 0 "[ . 1 . 2]" 1
425 1 24 LEU H 1 24 LEU QB . . 2.520 2.188 2.088 2.240 . 0 0 "[ . 1 . 2]" 1
426 1 93 LEU H 1 93 LEU HB3 . . 2.780 2.265 2.162 2.501 . 0 0 "[ . 1 . 2]" 1
427 1 24 LEU H 1 27 MET ME . . 5.500 4.683 4.325 4.924 . 0 0 "[ . 1 . 2]" 1
428 1 34 LYS H 1 34 LYS QG . . 2.860 2.253 1.925 2.808 . 0 0 "[ . 1 . 2]" 1
429 1 75 LEU MD2 1 91 ALA H . . 5.500 3.354 2.682 3.808 . 0 0 "[ . 1 . 2]" 1
430 1 75 LEU MD1 1 91 ALA H . . 5.500 3.761 2.735 5.528 0.028 20 0 "[ . 1 . 2]" 1
431 1 75 LEU HB3 1 91 ALA H . . 5.500 5.646 5.554 5.770 0.270 16 0 "[ . 1 . 2]" 1
432 1 47 GLY H 1 47 GLY HA3 . . 2.620 2.346 2.343 2.351 . 0 0 "[ . 1 . 2]" 1
433 1 46 GLU HB2 1 47 GLY H . . 5.070 4.393 4.284 4.501 . 0 0 "[ . 1 . 2]" 1
434 1 44 GLU QG 1 47 GLY H . . 3.310 2.663 2.587 2.768 . 0 0 "[ . 1 . 2]" 1
435 1 69 THR H 1 73 ILE MG . . 2.880 2.874 2.258 3.062 0.182 12 0 "[ . 1 . 2]" 1
436 1 94 LEU H 1 94 LEU HG . . 4.300 3.116 2.112 4.396 0.096 4 0 "[ . 1 . 2]" 1
437 1 93 LEU HB2 1 94 LEU H . . 3.220 3.210 3.037 3.324 0.104 12 0 "[ . 1 . 2]" 1
438 1 42 PHE H 1 43 ILE MD . . 3.560 3.462 3.343 3.561 0.001 18 0 "[ . 1 . 2]" 1
439 1 42 PHE H 1 73 ILE MD . . 4.290 4.304 4.030 4.435 0.145 9 0 "[ . 1 . 2]" 1
440 1 41 GLY HA3 1 42 PHE H . . 3.180 2.145 2.137 2.200 . 0 0 "[ . 1 . 2]" 1
441 1 53 GLY H 1 65 ILE HB . . 5.500 5.570 5.538 5.618 0.118 5 0 "[ . 1 . 2]" 1
442 1 33 LEU HB3 1 40 SER H . . 4.300 4.092 3.743 4.301 0.001 7 0 "[ . 1 . 2]" 1
443 1 80 GLU HB3 1 81 ASP H . . 3.110 2.892 2.736 3.061 . 0 0 "[ . 1 . 2]" 1
444 1 32 ILE MG 1 42 PHE H . . 3.360 2.824 2.259 3.238 . 0 0 "[ . 1 . 2]" 1
445 1 39 VAL HB 1 40 SER H . . 4.330 4.077 2.511 4.261 . 0 0 "[ . 1 . 2]" 1
446 1 46 GLU HB3 1 47 GLY H . . 5.070 4.388 4.289 4.484 . 0 0 "[ . 1 . 2]" 1
447 1 53 GLY H 1 56 ASN HB3 . . 3.280 2.773 2.561 2.902 . 0 0 "[ . 1 . 2]" 1
448 1 42 PHE H 1 51 THR MG . . 3.900 3.366 3.093 3.641 . 0 0 "[ . 1 . 2]" 1
449 1 53 GLY H 1 56 ASN HB2 . . 3.740 1.977 1.866 2.056 . 0 0 "[ . 1 . 2]" 1
450 1 52 VAL HB 1 53 GLY H . . 3.030 2.697 2.233 2.843 . 0 0 "[ . 1 . 2]" 1
451 1 17 GLU QB 1 18 THR H . . 3.610 2.708 2.323 2.931 . 0 0 "[ . 1 . 2]" 1
452 1 18 THR H 1 18 THR MG . . 3.870 3.766 3.758 3.768 . 0 0 "[ . 1 . 2]" 1
453 1 17 GLU HG3 1 18 THR H . . 4.080 2.718 1.941 4.123 0.043 17 0 "[ . 1 . 2]" 1
454 1 29 TYR HB3 1 30 VAL H . . 4.280 4.066 3.910 4.156 . 0 0 "[ . 1 . 2]" 1
455 1 30 VAL H 1 30 VAL MG2 . . 3.330 1.853 1.834 1.874 . 0 0 "[ . 1 . 2]" 1
456 1 29 TYR HB2 1 30 VAL H . . 4.540 4.489 4.459 4.526 . 0 0 "[ . 1 . 2]" 1
457 1 32 ILE HB 1 33 LEU H . . 3.540 2.609 2.290 3.308 . 0 0 "[ . 1 . 2]" 1
458 1 33 LEU H 1 33 LEU HB3 . . 3.230 2.996 2.724 3.162 . 0 0 "[ . 1 . 2]" 1
459 1 33 LEU H 1 33 LEU HB2 . . 3.440 3.011 2.854 3.253 . 0 0 "[ . 1 . 2]" 1
460 1 55 GLY H 1 55 GLY HA2 . . 2.890 2.883 2.868 2.897 0.007 16 0 "[ . 1 . 2]" 1
461 1 54 VAL HA 1 55 GLY H . . 2.580 2.158 2.153 2.160 . 0 0 "[ . 1 . 2]" 1
462 1 54 VAL H 1 54 VAL HB . . 2.700 2.630 2.575 2.701 0.001 19 0 "[ . 1 . 2]" 1
463 1 54 VAL H 1 68 ILE MD . . 2.630 2.126 1.848 2.695 0.065 12 0 "[ . 1 . 2]" 1
464 1 55 GLY H 1 56 ASN HB3 . . 5.500 5.145 5.080 5.215 . 0 0 "[ . 1 . 2]" 1
465 1 90 LYS H 1 90 LYS QE . . 5.500 4.906 4.389 5.485 . 0 0 "[ . 1 . 2]" 1
466 1 90 LYS H 1 90 LYS HB2 . . 2.850 2.513 2.329 2.683 . 0 0 "[ . 1 . 2]" 1
467 1 80 GLU HG3 1 86 TRP H . . 3.770 3.479 3.266 3.765 . 0 0 "[ . 1 . 2]" 1
468 1 70 ASP H 1 70 ASP HB3 . . 2.940 2.740 2.500 2.930 . 0 0 "[ . 1 . 2]" 1
469 1 69 THR MG 1 70 ASP H . . 3.450 2.943 2.752 3.469 0.019 12 0 "[ . 1 . 2]" 1
470 1 86 TRP H 1 86 TRP HB2 . . 3.480 3.447 3.416 3.463 . 0 0 "[ . 1 . 2]" 1
471 1 23 SER H 1 26 ASN HB2 . . 3.590 3.208 2.977 3.561 . 0 0 "[ . 1 . 2]" 1
472 1 22 PHE HB2 1 23 SER H . . 4.090 3.968 3.769 4.092 0.002 6 0 "[ . 1 . 2]" 1
473 1 23 SER H 1 46 GLU QG . . 4.040 3.830 3.368 4.117 0.077 17 0 "[ . 1 . 2]" 1
474 1 23 SER H 1 45 ALA MB . . 5.500 4.412 4.125 4.682 . 0 0 "[ . 1 . 2]" 1
475 1 24 LEU HG 1 25 GLU H . . 4.900 3.770 3.172 4.916 0.016 7 0 "[ . 1 . 2]" 1
476 1 24 LEU MD2 1 25 GLU H . . 5.000 4.243 3.744 4.508 . 0 0 "[ . 1 . 2]" 1
477 1 25 GLU H 1 25 GLU QB . . 2.650 2.580 2.042 2.635 . 0 0 "[ . 1 . 2]" 1
478 1 24 LEU MD1 1 25 GLU H . . 5.000 4.369 4.009 4.891 . 0 0 "[ . 1 . 2]" 1
479 1 7 GLU QG 1 8 ASN H . . 4.190 3.630 2.840 4.191 0.001 5 0 "[ . 1 . 2]" 1
480 1 72 SER HB3 1 73 ILE H . . 3.980 3.925 3.439 4.207 0.227 8 0 "[ . 1 . 2]" 1
481 1 56 ASN HB2 1 56 ASN HD22 . . 3.840 3.479 3.463 3.492 . 0 0 "[ . 1 . 2]" 1
482 1 60 GLN H 1 60 GLN HB2 . . 3.630 3.096 2.883 3.727 0.097 11 0 "[ . 1 . 2]" 1
483 1 73 ILE H 1 92 GLU QG . . 2.930 2.815 2.612 2.955 0.025 1 0 "[ . 1 . 2]" 1
484 1 73 ILE H 1 93 LEU MD1 . . 4.880 4.393 4.230 4.545 . 0 0 "[ . 1 . 2]" 1
485 1 57 TYR H 1 58 LEU MD1 . . 4.240 3.569 3.407 3.659 . 0 0 "[ . 1 . 2]" 1
486 1 73 ILE H 1 73 ILE QG . . 3.310 2.231 2.042 2.315 . 0 0 "[ . 1 . 2]" 1
487 1 73 ILE H 1 73 ILE MD . . 4.270 3.923 3.781 4.005 . 0 0 "[ . 1 . 2]" 1
488 1 56 ASN HB3 1 57 TYR H . . 3.180 2.764 2.717 2.814 . 0 0 "[ . 1 . 2]" 1
489 1 57 TYR H 1 57 TYR HB3 . . 2.860 2.605 2.554 2.625 . 0 0 "[ . 1 . 2]" 1
490 1 27 MET QG 1 28 ARG H . . 4.910 4.432 4.079 4.603 . 0 0 "[ . 1 . 2]" 1
491 1 27 MET QG 1 60 GLN H . . 5.220 4.149 3.818 4.960 . 0 0 "[ . 1 . 2]" 1
492 1 100 LYS QB 1 101 ASN H . . 3.460 2.330 1.982 2.846 . 0 0 "[ . 1 . 2]" 1
493 1 73 ILE H 1 93 LEU HG . . 5.500 3.209 2.960 3.321 . 0 0 "[ . 1 . 2]" 1
494 1 5 LYS H 1 5 LYS QG . . 4.130 2.479 1.948 3.427 . 0 0 "[ . 1 . 2]" 1
495 1 100 LYS QG 1 101 ASN H . . 4.700 3.526 2.374 4.280 . 0 0 "[ . 1 . 2]" 1
496 1 61 ASN HB2 1 62 TYR H . . 3.590 2.248 2.194 2.424 . 0 0 "[ . 1 . 2]" 1
497 1 5 LYS H 1 5 LYS QE . . 5.150 4.626 3.905 5.150 . 7 0 "[ . 1 . 2]" 1
498 1 61 ASN HB3 1 62 TYR H . . 3.590 2.036 1.948 2.099 . 0 0 "[ . 1 . 2]" 1
499 1 61 ASN HD22 1 79 ILE MG . . 3.580 2.538 2.469 2.695 . 0 0 "[ . 1 . 2]" 1
500 1 5 LYS H 1 5 LYS QB . . 2.950 2.643 2.265 2.952 0.002 14 0 "[ . 1 . 2]" 1
501 1 14 ARG QB 1 15 ILE H . . 2.800 2.535 2.207 2.805 0.005 16 0 "[ . 1 . 2]" 1
502 1 15 ILE H 1 15 ILE MD . . 2.700 2.165 1.902 2.722 0.022 7 0 "[ . 1 . 2]" 1
503 1 63 GLY HA2 1 78 LEU H . . 5.500 4.076 3.936 4.156 . 0 0 "[ . 1 . 2]" 1
504 1 62 TYR HB2 1 78 LEU H . . 5.090 3.349 3.214 3.584 . 0 0 "[ . 1 . 2]" 1
505 1 62 TYR HB3 1 78 LEU H . . 5.090 4.705 4.535 5.003 . 0 0 "[ . 1 . 2]" 1
506 1 92 GLU H 1 92 GLU QG . . 4.180 3.983 3.932 4.082 . 0 0 "[ . 1 . 2]" 1
507 1 5 LYS QB 1 6 GLY H . . 2.700 2.425 2.238 2.700 . 0 0 "[ . 1 . 2]" 1
508 1 32 ILE H 1 32 ILE QG . . 2.650 2.185 1.909 2.524 . 0 0 "[ . 1 . 2]" 1
509 1 91 ALA MB 1 92 GLU H . . 2.850 2.702 2.395 2.873 0.023 1 0 "[ . 1 . 2]" 1
510 1 92 GLU H 1 92 GLU HB3 . . 2.730 2.529 2.451 2.688 . 0 0 "[ . 1 . 2]" 1
511 1 13 LYS H 1 13 LYS QG . . 2.920 2.843 2.514 3.119 0.199 13 0 "[ . 1 . 2]" 1
512 1 111 GLU QG 1 112 GLN H . . 5.490 3.270 1.926 4.200 . 0 0 "[ . 1 . 2]" 1
513 1 75 LEU HB2 1 76 ASN H . . 3.040 2.496 2.428 2.561 . 0 0 "[ . 1 . 2]" 1
514 1 110 ALA MB 1 111 GLU H . . 3.490 2.739 2.170 3.448 . 0 0 "[ . 1 . 2]" 1
515 1 12 THR MG 1 13 LYS H . . 2.680 2.212 1.969 2.724 0.044 8 0 "[ . 1 . 2]" 1
516 1 76 ASN H 1 76 ASN HB3 . . 3.710 3.060 2.434 3.820 0.110 3 0 "[ . 1 . 2]" 1
517 1 87 VAL HB 1 88 SER H . . 3.070 3.033 2.915 3.085 0.015 10 0 "[ . 1 . 2]" 1
518 1 75 LEU HG 1 76 ASN H . . 4.600 3.958 2.908 4.553 . 0 0 "[ . 1 . 2]" 1
519 1 78 LEU MD2 1 88 SER H . . 4.240 3.878 3.690 4.245 0.005 17 0 "[ . 1 . 2]" 1
520 1 104 GLN QG 1 105 ALA H . . 5.410 3.427 1.971 4.825 . 0 0 "[ . 1 . 2]" 1
521 1 17 GLU QB 1 19 LEU H . . 3.050 2.399 2.208 2.871 . 0 0 "[ . 1 . 2]" 1
522 1 64 ARG H 1 75 LEU HG . . 5.500 4.560 3.853 5.059 . 0 0 "[ . 1 . 2]" 1
523 1 75 LEU MD1 1 76 ASN H . . 5.500 4.005 3.939 4.063 . 0 0 "[ . 1 . 2]" 1
524 1 19 LEU H 1 19 LEU HB2 . . 2.540 2.243 2.119 2.451 . 0 0 "[ . 1 . 2]" 1
525 1 66 GLU QG 1 76 ASN H . . 4.930 4.395 4.036 4.888 . 0 0 "[ . 1 . 2]" 1
526 1 64 ARG H 1 64 ARG HB2 . . 2.750 2.519 2.492 2.578 . 0 0 "[ . 1 . 2]" 1
527 1 19 LEU H 1 21 LYS QD . . 5.300 4.966 4.424 5.200 . 0 0 "[ . 1 . 2]" 1
528 1 95 LEU HG 1 97 SER H . . 4.660 2.362 1.941 4.552 . 0 0 "[ . 1 . 2]" 1
529 1 63 GLY HA2 1 64 ARG H . . 3.400 3.092 3.045 3.144 . 0 0 "[ . 1 . 2]" 1
530 1 64 ARG H 1 78 LEU QB . . 5.500 5.285 4.990 5.499 . 0 0 "[ . 1 . 2]" 1
531 1 74 VAL H 1 92 GLU QG . . 4.670 3.975 3.674 4.250 . 0 0 "[ . 1 . 2]" 1
532 1 106 ALA H 1 106 ALA MB . . 3.100 2.378 2.029 2.864 . 0 0 "[ . 1 . 2]" 1
533 1 73 ILE HB 1 74 VAL H . . 3.730 3.344 3.033 3.549 . 0 0 "[ . 1 . 2]" 1
534 1 73 ILE MD 1 74 VAL H . . 5.200 5.163 4.909 5.262 0.062 11 0 "[ . 1 . 2]" 1
535 1 68 ILE H 1 68 ILE HB . . 3.020 2.902 2.830 3.045 0.025 20 0 "[ . 1 . 2]" 1
536 1 68 ILE H 1 68 ILE MD . . 2.990 2.385 2.068 2.985 . 0 0 "[ . 1 . 2]" 1
537 1 73 ILE MG 1 74 VAL H . . 3.310 3.304 2.855 3.395 0.085 9 0 "[ . 1 . 2]" 1
538 1 74 VAL H 1 74 VAL HB . . 2.460 2.567 2.510 2.646 0.186 20 0 "[ . 1 . 2]" 1
539 1 78 LEU QB 1 80 GLU H . . 5.500 5.552 5.502 5.600 0.100 7 0 "[ . 1 . 2]" 1
540 1 79 ILE HB 1 80 GLU H . . 3.110 2.984 2.914 3.044 . 0 0 "[ . 1 . 2]" 1
541 1 80 GLU H 1 80 GLU HG3 . . 2.850 2.853 2.797 2.873 0.023 7 0 "[ . 1 . 2]" 1
542 1 79 ILE HG13 1 80 GLU H . . 5.430 5.138 5.119 5.153 . 0 0 "[ . 1 . 2]" 1
543 1 79 ILE MD 1 80 GLU H . . 4.220 4.028 3.966 4.081 . 0 0 "[ . 1 . 2]" 1
544 1 12 THR H 1 14 ARG QB . . 5.500 5.060 3.797 5.884 0.384 11 0 "[ . 1 . 2]" 1
545 1 100 LYS H 1 102 THR MG . . 5.500 4.787 3.710 5.472 . 0 0 "[ . 1 . 2]" 1
546 1 15 ILE HB 1 16 LYS H . . 3.080 2.680 2.223 3.247 0.167 12 0 "[ . 1 . 2]" 1
547 1 16 LYS H 1 17 GLU QB . . 5.500 5.341 4.715 5.890 0.390 17 0 "[ . 1 . 2]" 1
548 1 16 LYS H 1 16 LYS QG . . 3.450 2.742 1.939 3.548 0.098 15 0 "[ . 1 . 2]" 1
549 1 16 LYS H 1 16 LYS QE . . 5.500 4.399 3.655 4.873 . 0 0 "[ . 1 . 2]" 1
550 1 16 LYS H 1 16 LYS QB . . 2.720 2.570 2.158 2.827 0.107 17 0 "[ . 1 . 2]" 1
551 1 16 LYS H 1 16 LYS QD . . 3.150 2.745 2.029 3.223 0.073 17 0 "[ . 1 . 2]" 1
552 1 15 ILE MD 1 16 LYS H . . 5.060 4.213 3.354 4.947 . 0 0 "[ . 1 . 2]" 1
553 1 1 GLU QB 1 2 THR H . . 5.060 3.288 2.017 4.033 . 0 0 "[ . 1 . 2]" 1
554 1 112 GLN QB 1 113 ASN H . . 4.940 2.988 1.943 3.917 . 0 0 "[ . 1 . 2]" 1
555 1 111 GLU QB 1 113 ASN H . . 5.500 4.382 2.382 5.500 0.000 14 0 "[ . 1 . 2]" 1
556 1 100 LYS QD 1 102 THR H . . 4.700 4.166 3.443 4.701 0.001 3 0 "[ . 1 . 2]" 1
557 1 83 THR MG 1 85 ASN H . . 4.540 4.013 3.991 4.049 . 0 0 "[ . 1 . 2]" 1
558 1 37 GLN QG 1 38 LYS H . . 4.690 4.300 3.486 4.688 . 0 0 "[ . 1 . 2]" 1
559 1 37 GLN HB2 1 38 LYS H . . 4.670 4.383 4.049 4.599 . 0 0 "[ . 1 . 2]" 1
560 1 37 GLN HB3 1 38 LYS H . . 4.670 4.337 3.903 4.627 . 0 0 "[ . 1 . 2]" 1
561 1 38 LYS H 1 38 LYS QB . . 3.420 3.044 2.556 3.395 . 0 0 "[ . 1 . 2]" 1
562 1 38 LYS H 1 38 LYS QD . . 5.500 4.537 4.042 4.940 . 0 0 "[ . 1 . 2]" 1
563 1 26 ASN H 1 27 MET HB2 . . 5.460 4.629 4.404 4.777 . 0 0 "[ . 1 . 2]" 1
564 1 85 ASN HD21 1 87 VAL MG1 . . 4.810 4.405 4.190 4.535 . 0 0 "[ . 1 . 2]" 1
565 1 44 GLU QG 1 48 TYR H . . 3.710 3.550 3.482 3.621 . 0 0 "[ . 1 . 2]" 1
566 1 26 ASN H 1 26 ASN HB2 . . 2.590 2.498 2.373 2.593 0.003 15 0 "[ . 1 . 2]" 1
567 1 25 GLU QG 1 26 ASN H . . 4.460 3.955 2.907 4.060 . 0 0 "[ . 1 . 2]" 1
568 1 25 GLU QB 1 26 ASN H . . 3.110 2.949 2.878 3.316 0.206 14 0 "[ . 1 . 2]" 1
569 1 24 LEU HG 1 26 ASN H . . 5.500 5.151 4.827 5.614 0.114 7 0 "[ . 1 . 2]" 1
570 1 24 LEU QB 1 26 ASN H . . 5.500 4.487 4.349 4.643 . 0 0 "[ . 1 . 2]" 1
571 1 85 ASN QB 1 85 ASN HD21 . . 2.400 2.207 2.185 2.228 . 0 0 "[ . 1 . 2]" 1
572 1 20 GLU H 1 21 LYS HG3 . . 4.510 4.232 4.105 4.503 . 0 0 "[ . 1 . 2]" 1
573 1 16 LYS QB 1 20 GLU H . . 5.500 4.698 3.799 5.439 . 0 0 "[ . 1 . 2]" 1
574 1 63 GLY H 1 78 LEU QB . . 5.500 4.910 4.836 4.961 . 0 0 "[ . 1 . 2]" 1
575 1 20 GLU H 1 21 LYS QD . . 4.710 4.487 3.324 4.714 0.004 16 0 "[ . 1 . 2]" 1
576 1 20 GLU H 1 20 GLU QG . . 3.100 2.487 2.054 3.191 0.091 4 0 "[ . 1 . 2]" 1
577 1 19 LEU HB2 1 20 GLU H . . 3.500 3.139 3.062 3.384 . 0 0 "[ . 1 . 2]" 1
578 1 20 GLU H 1 21 LYS QE . . 5.100 4.475 4.091 5.346 0.246 1 0 "[ . 1 . 2]" 1
579 1 29 TYR HB3 1 95 LEU H . . 5.500 4.534 4.400 4.719 . 0 0 "[ . 1 . 2]" 1
580 1 19 LEU HB3 1 20 GLU H . . 3.890 3.694 3.515 3.942 0.052 15 0 "[ . 1 . 2]" 1
581 1 95 LEU H 1 95 LEU QB . . 2.720 2.221 2.100 2.236 . 0 0 "[ . 1 . 2]" 1
582 1 58 LEU HB2 1 59 GLY H . . 3.830 2.070 2.025 2.090 . 0 0 "[ . 1 . 2]" 1
583 1 58 LEU HB3 1 59 GLY H . . 3.620 3.513 3.454 3.554 . 0 0 "[ . 1 . 2]" 1
584 1 58 LEU MD2 1 59 GLY H . . 3.370 2.850 2.670 3.058 . 0 0 "[ . 1 . 2]" 1
585 1 29 TYR HB2 1 95 LEU H . . 5.030 5.025 4.712 5.152 0.122 4 0 "[ . 1 . 2]" 1
586 1 56 ASN H 1 56 ASN HB3 . . 3.220 3.047 3.018 3.085 . 0 0 "[ . 1 . 2]" 1
587 1 25 GLU QG 1 26 ASN HD22 . . 5.500 4.624 2.346 5.174 . 0 0 "[ . 1 . 2]" 1
588 1 25 GLU QB 1 26 ASN HD22 . . 3.580 3.321 3.098 3.718 0.138 14 0 "[ . 1 . 2]" 1
589 1 54 VAL QG 1 56 ASN H . . 5.010 4.856 4.788 4.946 . 0 0 "[ . 1 . 2]" 1
590 1 52 VAL MG1 1 56 ASN H . . 5.500 5.181 5.062 5.407 . 0 0 "[ . 1 . 2]" 1
591 1 56 ASN H 1 58 LEU MD1 . . 4.880 3.907 3.717 4.007 . 0 0 "[ . 1 . 2]" 1
592 1 66 GLU HB3 1 67 SER H . . 3.410 3.214 2.908 3.372 . 0 0 "[ . 1 . 2]" 1
593 1 67 SER H 1 74 VAL MG1 . . 4.530 3.519 3.133 3.672 . 0 0 "[ . 1 . 2]" 1
594 1 67 SER H 1 74 VAL MG2 . . 4.530 4.348 4.112 4.539 0.009 9 0 "[ . 1 . 2]" 1
595 1 48 TYR QE 1 50 TYR HB3 . . 3.200 2.133 1.979 2.358 . 0 0 "[ . 1 . 2]" 1
596 1 54 VAL HA 1 67 SER H . . 5.500 4.929 4.382 5.145 . 0 0 "[ . 1 . 2]" 1
597 1 26 ASN HB3 1 27 MET H . . 4.610 3.911 3.745 4.203 . 0 0 "[ . 1 . 2]" 1
598 1 48 TYR QE 1 50 TYR HB2 . . 4.760 3.306 3.172 3.540 . 0 0 "[ . 1 . 2]" 1
599 1 49 VAL H 1 50 TYR HB3 . . 4.800 4.630 4.424 4.815 0.015 8 0 "[ . 1 . 2]" 1
600 1 25 GLU QG 1 27 MET H . . 5.500 5.452 4.551 5.548 0.048 4 0 "[ . 1 . 2]" 1
601 1 27 MET H 1 27 MET HB3 . . 3.760 3.594 3.583 3.625 . 0 0 "[ . 1 . 2]" 1
602 1 24 LEU HG 1 27 MET H . . 5.070 4.806 4.352 5.024 . 0 0 "[ . 1 . 2]" 1
603 1 49 VAL H 1 49 VAL HB . . 3.670 3.644 3.617 3.675 0.005 17 0 "[ . 1 . 2]" 1
604 1 49 VAL H 1 49 VAL QG . . 3.350 1.986 1.916 2.067 . 0 0 "[ . 1 . 2]" 1
605 1 44 GLU QG 1 49 VAL H . . 5.230 4.902 4.564 5.122 . 0 0 "[ . 1 . 2]" 1
606 1 44 GLU HB2 1 49 VAL H . . 5.030 5.090 5.063 5.148 0.118 20 0 "[ . 1 . 2]" 1
607 1 29 TYR HB2 1 96 ASN QD . . 5.500 2.895 2.535 3.194 . 0 0 "[ . 1 . 2]" 1
608 1 28 ARG QG 1 96 ASN QD . . 4.220 3.315 2.486 4.051 . 0 0 "[ . 1 . 2]" 1
609 1 21 LYS HG2 1 22 PHE QE . . 5.500 5.479 5.352 5.534 0.034 5 0 "[ . 1 . 2]" 1
610 1 21 LYS H 1 22 PHE HB2 . . 5.500 4.492 4.401 4.910 . 0 0 "[ . 1 . 2]" 1
611 1 20 GLU QG 1 21 LYS H . . 4.960 3.275 2.253 4.702 . 0 0 "[ . 1 . 2]" 1
612 1 22 PHE QE 1 46 GLU QG . . 5.350 4.071 3.780 4.464 . 0 0 "[ . 1 . 2]" 1
613 1 21 LYS H 1 21 LYS QD . . 4.190 2.999 2.146 3.203 . 0 0 "[ . 1 . 2]" 1
614 1 21 LYS QD 1 22 PHE QE . . 4.560 3.112 2.847 3.237 . 0 0 "[ . 1 . 2]" 1
615 1 21 LYS HB2 1 22 PHE QE . . 3.210 2.882 2.775 3.218 0.008 6 0 "[ . 1 . 2]" 1
616 1 18 THR MG 1 22 PHE QE . . 3.290 1.911 1.875 2.202 . 0 0 "[ . 1 . 2]" 1
617 1 21 LYS H 1 21 LYS HG2 . . 4.100 3.861 3.654 3.910 . 0 0 "[ . 1 . 2]" 1
618 1 21 LYS H 1 21 LYS HG3 . . 3.280 2.412 2.141 2.499 . 0 0 "[ . 1 . 2]" 1
619 1 21 LYS H 1 21 LYS QE . . 4.400 3.786 3.488 4.189 . 0 0 "[ . 1 . 2]" 1
620 1 49 VAL HB 1 50 TYR QD . . 5.500 5.504 5.407 5.547 0.047 8 0 "[ . 1 . 2]" 1
621 1 43 ILE MG 1 50 TYR QD . . 3.750 3.783 3.715 3.812 0.062 5 0 "[ . 1 . 2]" 1
622 1 19 LEU MD2 1 50 TYR QD . . 3.310 3.152 2.780 3.341 0.031 17 0 "[ . 1 . 2]" 1
623 1 19 LEU MD1 1 50 TYR QD . . 3.310 2.672 2.481 3.121 . 0 0 "[ . 1 . 2]" 1
624 1 80 GLU HG3 1 86 TRP HD1 . . 4.580 3.034 2.804 3.232 . 0 0 "[ . 1 . 2]" 1
625 1 86 TRP HB3 1 86 TRP HD1 . . 2.950 2.623 2.618 2.628 . 0 0 "[ . 1 . 2]" 1
626 1 85 ASN QB 1 86 TRP HD1 . . 5.500 4.968 4.850 5.140 . 0 0 "[ . 1 . 2]" 1
627 1 80 GLU HG2 1 86 TRP HD1 . . 3.890 3.677 3.617 3.778 . 0 0 "[ . 1 . 2]" 1
628 1 42 PHE QE 1 44 GLU HB3 . . 5.500 5.402 5.129 5.525 0.025 7 0 "[ . 1 . 2]" 1
629 1 42 PHE QE 1 44 GLU HB2 . . 5.500 4.116 3.885 4.274 . 0 0 "[ . 1 . 2]" 1
630 1 56 ASN HD21 1 65 ILE MG . . 4.350 4.313 4.226 4.470 0.120 20 0 "[ . 1 . 2]" 1
631 1 85 ASN QB 1 86 TRP HZ3 . . 5.500 5.407 5.186 5.523 0.023 8 0 "[ . 1 . 2]" 1
632 1 85 ASN QB 1 86 TRP HH2 . . 5.500 5.412 5.232 5.497 . 0 0 "[ . 1 . 2]" 1
633 1 42 PHE QE 1 49 VAL QG . . 3.170 2.729 2.607 2.869 . 0 0 "[ . 1 . 2]" 1
634 1 42 PHE QE 1 51 THR MG . . 3.870 3.815 3.667 3.913 0.043 12 0 "[ . 1 . 2]" 1
635 1 29 TYR QD 1 93 LEU HG . . 3.630 3.314 2.910 3.606 . 0 0 "[ . 1 . 2]" 1
636 1 29 TYR QD 1 43 ILE QG . . 3.140 2.426 1.954 3.051 . 0 0 "[ . 1 . 2]" 1
637 1 29 TYR QD 1 93 LEU MD2 . . 3.400 3.371 3.086 3.456 0.056 7 0 "[ . 1 . 2]" 1
638 1 42 PHE HZ 1 49 VAL HB . . 3.070 2.255 2.195 2.336 . 0 0 "[ . 1 . 2]" 1
639 1 29 TYR QD 1 95 LEU QB . . 2.810 2.536 2.329 2.853 0.043 1 0 "[ . 1 . 2]" 1
640 1 29 TYR QD 1 93 LEU MD1 . . 3.400 2.382 2.028 2.727 . 0 0 "[ . 1 . 2]" 1
641 1 42 PHE HZ 1 49 VAL QG . . 3.710 3.029 2.976 3.111 . 0 0 "[ . 1 . 2]" 1
642 1 29 TYR QD 1 43 ILE MD . . 3.170 3.207 3.175 3.271 0.101 13 0 "[ . 1 . 2]" 1
643 1 29 TYR QD 1 42 PHE QB . . 5.500 4.260 4.000 4.466 . 0 0 "[ . 1 . 2]" 1
644 1 29 TYR QD 1 73 ILE QG . . 3.210 3.178 3.074 3.341 0.131 16 0 "[ . 1 . 2]" 1
645 1 22 PHE QD 1 27 MET QG . . 5.500 4.849 4.275 5.545 0.045 9 0 "[ . 1 . 2]" 1
646 1 26 ASN HD21 1 27 MET QG . . 5.500 4.507 4.189 4.881 . 0 0 "[ . 1 . 2]" 1
647 1 22 PHE QD 1 46 GLU HB2 . . 3.910 1.985 1.932 2.063 . 0 0 "[ . 1 . 2]" 1
648 1 22 PHE QD 1 46 GLU QG . . 3.350 2.559 1.970 3.308 . 0 0 "[ . 1 . 2]" 1
649 1 25 GLU QB 1 26 ASN HD21 . . 3.340 3.150 2.898 3.414 0.074 14 0 "[ . 1 . 2]" 1
650 1 22 PHE QD 1 46 GLU HB3 . . 3.910 3.578 3.529 3.643 . 0 0 "[ . 1 . 2]" 1
651 1 21 LYS QD 1 22 PHE QD . . 4.150 3.973 3.350 4.148 . 0 0 "[ . 1 . 2]" 1
652 1 21 LYS HB2 1 22 PHE QD . . 3.040 2.986 2.789 3.044 0.004 14 0 "[ . 1 . 2]" 1
653 1 21 LYS HG2 1 22 PHE QD . . 5.500 5.535 5.373 5.576 0.076 14 0 "[ . 1 . 2]" 1
654 1 21 LYS HG3 1 22 PHE QD . . 4.720 4.617 4.550 4.770 0.050 6 0 "[ . 1 . 2]" 1
655 1 22 PHE QD 1 45 ALA MB . . 2.970 2.472 2.261 2.758 . 0 0 "[ . 1 . 2]" 1
656 1 24 LEU QB 1 26 ASN HD21 . . 5.500 5.325 5.228 5.484 . 0 0 "[ . 1 . 2]" 1
657 1 16 LYS QD 1 62 TYR QD . . 5.500 4.770 3.239 5.552 0.052 17 0 "[ . 1 . 2]" 1
658 1 61 ASN HD21 1 80 GLU HG3 . . 5.380 4.393 4.249 4.520 . 0 0 "[ . 1 . 2]" 1
659 1 62 TYR QD 1 78 LEU QB . . 3.060 2.300 2.151 2.545 . 0 0 "[ . 1 . 2]" 1
660 1 62 TYR QD 1 78 LEU MD2 . . 4.740 3.934 3.446 4.747 0.007 8 0 "[ . 1 . 2]" 1
661 1 61 ASN HD21 1 77 GLU QG . . 5.500 5.541 5.508 5.591 0.091 20 0 "[ . 1 . 2]" 1
662 1 62 TYR QD 1 77 GLU QG . . 5.500 5.497 5.342 5.543 0.043 20 0 "[ . 1 . 2]" 1
663 1 61 ASN HB2 1 61 ASN HD21 . . 3.530 3.112 3.005 3.161 . 0 0 "[ . 1 . 2]" 1
664 1 61 ASN HB3 1 61 ASN HD21 . . 3.530 2.139 2.124 2.182 . 0 0 "[ . 1 . 2]" 1
665 1 61 ASN HD21 1 79 ILE HB . . 4.260 4.078 3.958 4.256 . 0 0 "[ . 1 . 2]" 1
666 1 61 ASN HD21 1 86 TRP HB3 . . 5.270 3.728 3.637 3.838 . 0 0 "[ . 1 . 2]" 1
667 1 61 ASN HD21 1 86 TRP HB2 . . 5.010 5.024 4.961 5.072 0.062 8 0 "[ . 1 . 2]" 1
668 1 61 ASN HD21 1 79 ILE MG . . 3.940 2.522 2.416 2.596 . 0 0 "[ . 1 . 2]" 1
669 1 29 TYR HB3 1 96 ASN QD . . 3.010 2.467 2.335 2.584 . 0 0 "[ . 1 . 2]" 1
670 1 42 PHE QD 1 49 VAL HB . . 4.840 4.202 4.130 4.252 . 0 0 "[ . 1 . 2]" 1
671 1 30 VAL HB 1 42 PHE QD . . 5.500 4.889 4.737 5.004 . 0 0 "[ . 1 . 2]" 1
672 1 33 LEU HB3 1 42 PHE QD . . 5.500 3.934 3.355 4.885 . 0 0 "[ . 1 . 2]" 1
673 1 33 LEU HB2 1 42 PHE QD . . 4.530 2.396 1.994 3.366 . 0 0 "[ . 1 . 2]" 1
674 1 42 PHE QD 1 51 THR MG . . 3.480 2.669 2.526 2.878 . 0 0 "[ . 1 . 2]" 1
675 1 42 PHE QD 1 43 ILE MG . . 5.500 4.861 4.832 4.887 . 0 0 "[ . 1 . 2]" 1
676 1 19 LEU HB3 1 50 TYR QE . . 5.340 4.861 4.600 5.111 . 0 0 "[ . 1 . 2]" 1
677 1 27 MET HB2 1 50 TYR QE . . 5.500 5.340 5.131 5.515 0.015 12 0 "[ . 1 . 2]" 1
678 1 43 ILE HB 1 50 TYR QE . . 3.490 3.096 2.853 3.297 . 0 0 "[ . 1 . 2]" 1
679 1 13 LYS QB 1 14 ARG H . . 3.810 3.553 2.772 3.838 0.028 16 0 "[ . 1 . 2]" 1
680 1 21 LYS QD 1 48 TYR QD . . 5.500 5.551 5.487 5.740 0.240 1 0 "[ . 1 . 2]" 1
681 1 13 LYS QG 1 14 ARG H . . 4.760 4.436 2.948 4.744 . 0 0 "[ . 1 . 2]" 1
682 1 48 TYR QD 1 50 TYR HB3 . . 2.720 2.588 2.535 2.645 . 0 0 "[ . 1 . 2]" 1
683 1 18 THR MG 1 48 TYR QD . . 2.950 2.666 2.480 2.944 . 0 0 "[ . 1 . 2]" 1
684 1 43 ILE MG 1 50 TYR QE . . 4.420 2.172 1.975 2.253 . 0 0 "[ . 1 . 2]" 1
685 1 45 ALA MB 1 50 TYR QE . . 2.740 2.595 2.505 2.747 0.007 17 0 "[ . 1 . 2]" 1
686 1 19 LEU MD1 1 48 TYR QD . . 4.370 3.389 3.071 4.395 0.025 4 0 "[ . 1 . 2]" 1
687 1 48 TYR QD 1 50 TYR HB2 . . 4.890 4.316 4.262 4.371 . 0 0 "[ . 1 . 2]" 1
688 1 27 MET HB3 1 50 TYR QE . . 5.500 3.773 3.522 3.949 . 0 0 "[ . 1 . 2]" 1
689 1 27 MET ME 1 50 TYR QE . . 5.500 3.538 3.381 3.650 . 0 0 "[ . 1 . 2]" 1
690 1 19 LEU MD2 1 48 TYR QD . . 4.370 3.002 2.726 3.212 . 0 0 "[ . 1 . 2]" 1
691 1 56 ASN HB3 1 57 TYR QD . . 4.200 4.194 4.085 4.232 0.032 10 0 "[ . 1 . 2]" 1
692 1 57 TYR QD 1 64 ARG QD . . 5.500 5.340 4.743 5.582 0.082 13 0 "[ . 1 . 2]" 1
693 1 17 GLU QB 1 57 TYR QD . . 3.900 3.851 3.555 3.945 0.045 15 0 "[ . 1 . 2]" 1
694 1 57 TYR QD 1 64 ARG QG . . 5.420 5.384 5.272 5.438 0.018 20 0 "[ . 1 . 2]" 1
695 1 30 VAL HB 1 31 GLY H . . 4.050 3.469 3.346 3.519 . 0 0 "[ . 1 . 2]" 1
696 1 30 VAL MG1 1 31 GLY H . . 4.050 4.051 4.039 4.072 0.022 9 0 "[ . 1 . 2]" 1
697 1 62 TYR QE 1 78 LEU QB . . 4.380 4.218 3.954 4.399 0.019 1 0 "[ . 1 . 2]" 1
698 1 16 LYS QD 1 62 TYR QE . . 5.270 4.168 2.833 5.109 . 0 0 "[ . 1 . 2]" 1
699 1 31 GLY H 1 43 ILE QG . . 5.500 4.827 4.679 5.040 . 0 0 "[ . 1 . 2]" 1
700 1 83 THR MG 1 85 ASN HD22 . . 4.740 4.751 4.746 4.766 0.026 13 0 "[ . 1 . 2]" 1
701 1 85 ASN QB 1 85 ASN HD22 . . 3.330 3.289 3.281 3.296 . 0 0 "[ . 1 . 2]" 1
702 1 85 ASN HD22 1 87 VAL MG1 . . 5.500 3.480 3.287 3.580 . 0 0 "[ . 1 . 2]" 1
703 1 85 ASN HD22 1 87 VAL MG2 . . 5.500 5.553 5.426 5.625 0.125 16 0 "[ . 1 . 2]" 1
704 1 19 LEU HB2 1 57 TYR QE . . 5.500 2.651 2.391 3.287 . 0 0 "[ . 1 . 2]" 1
705 1 17 GLU QB 1 57 TYR QE . . 5.500 2.151 1.928 2.330 . 0 0 "[ . 1 . 2]" 1
706 1 50 TYR HB2 1 57 TYR QE . . 4.080 4.237 4.192 4.289 0.209 4 0 "[ . 1 . 2]" 1
707 1 29 TYR QE 1 43 ILE QG . . 4.810 3.558 3.025 3.947 . 0 0 "[ . 1 . 2]" 1
708 1 29 TYR QE 1 95 LEU QB . . 3.110 2.916 2.778 3.134 0.024 11 0 "[ . 1 . 2]" 1
709 1 29 TYR QE 1 32 ILE MG . . 3.630 3.080 2.305 3.692 0.062 3 0 "[ . 1 . 2]" 1
710 1 29 TYR QE 1 73 ILE QG . . 2.760 2.527 2.060 2.779 0.019 18 0 "[ . 1 . 2]" 1
711 1 29 TYR QE 1 32 ILE QG . . 4.400 4.262 3.305 4.616 0.216 18 0 "[ . 1 . 2]" 1
712 1 21 LYS QD 1 22 PHE H . . 5.500 5.075 4.227 5.277 . 0 0 "[ . 1 . 2]" 1
713 1 22 PHE H 1 45 ALA MB . . 5.400 5.039 4.872 5.225 . 0 0 "[ . 1 . 2]" 1
714 1 22 PHE H 1 22 PHE HB3 . . 3.810 3.795 3.688 3.836 0.026 12 0 "[ . 1 . 2]" 1
715 1 21 LYS HG3 1 22 PHE H . . 5.500 4.560 4.420 4.605 . 0 0 "[ . 1 . 2]" 1
716 1 21 LYS HG2 1 22 PHE H . . 5.500 5.570 5.421 5.630 0.130 6 0 "[ . 1 . 2]" 1
717 1 65 ILE MD 1 66 GLU H . . 2.850 2.587 2.249 2.876 0.026 9 0 "[ . 1 . 2]" 1
718 1 65 ILE HA 1 66 GLU H . . 3.060 2.196 2.152 2.264 . 0 0 "[ . 1 . 2]" 1
719 1 80 GLU HG2 1 86 TRP HE1 . . 5.500 5.506 5.415 5.529 0.029 3 0 "[ . 1 . 2]" 1
720 1 44 GLU QG 1 45 ALA H . . 2.950 2.303 2.230 2.347 . 0 0 "[ . 1 . 2]" 1
721 1 45 ALA H 1 45 ALA MB . . 2.660 2.546 2.486 2.610 . 0 0 "[ . 1 . 2]" 1
722 1 64 ARG H 1 64 ARG HB3 . . 4.100 3.595 3.386 3.719 . 0 0 "[ . 1 . 2]" 1
723 1 64 ARG H 1 75 LEU HB2 . . 4.440 3.576 3.433 3.898 . 0 0 "[ . 1 . 2]" 1
724 1 58 LEU MD1 1 64 ARG H . . 4.150 3.640 3.417 3.870 . 0 0 "[ . 1 . 2]" 1
725 1 30 VAL MG2 1 44 GLU H . . 3.000 2.805 2.536 2.909 . 0 0 "[ . 1 . 2]" 1
726 1 43 ILE HA 1 44 GLU H . . 2.630 2.225 2.208 2.240 . 0 0 "[ . 1 . 2]" 1
727 1 44 GLU H 1 44 GLU HB2 . . 3.530 3.423 3.372 3.466 . 0 0 "[ . 1 . 2]" 1
728 1 43 ILE MG 1 44 GLU H . . 2.670 2.216 1.991 2.332 . 0 0 "[ . 1 . 2]" 1
729 1 14 ARG HA 1 15 ILE H . . 2.490 2.363 2.244 2.491 0.001 15 0 "[ . 1 . 2]" 1
730 1 14 ARG H 1 15 ILE H . . 4.780 4.617 4.536 4.647 . 0 0 "[ . 1 . 2]" 1
731 1 32 ILE QG 1 33 LEU H . . 5.500 4.268 4.104 4.430 . 0 0 "[ . 1 . 2]" 1
732 1 32 ILE MD 1 33 LEU H . . 4.850 4.124 3.495 4.690 . 0 0 "[ . 1 . 2]" 1
733 1 32 ILE MG 1 33 LEU H . . 3.140 2.801 1.911 3.174 0.034 13 0 "[ . 1 . 2]" 1
734 1 28 ARG HA 1 29 TYR H . . 2.650 2.319 2.295 2.354 . 0 0 "[ . 1 . 2]" 1
735 1 28 ARG QB 1 29 TYR H . . 2.860 2.705 2.559 2.968 0.108 1 0 "[ . 1 . 2]" 1
736 1 29 TYR H 1 93 LEU MD2 . . 4.060 3.228 3.127 3.461 . 0 0 "[ . 1 . 2]" 1
737 1 91 ALA H 1 91 ALA MB . . 2.910 2.723 2.642 2.796 . 0 0 "[ . 1 . 2]" 1
738 1 76 ASN HA 1 91 ALA H . . 3.600 3.223 3.008 3.489 . 0 0 "[ . 1 . 2]" 1
739 1 90 LYS HA 1 91 ALA H . . 2.470 2.173 2.157 2.187 . 0 0 "[ . 1 . 2]" 1
740 1 15 ILE H 1 16 LYS H . . 4.670 4.510 4.376 4.640 . 0 0 "[ . 1 . 2]" 1
741 1 15 ILE MG 1 16 LYS H . . 3.490 2.875 1.891 3.533 0.043 9 0 "[ . 1 . 2]" 1
742 1 64 ARG HB2 1 65 ILE H . . 4.570 4.429 4.338 4.553 . 0 0 "[ . 1 . 2]" 1
743 1 79 ILE MG 1 80 GLU H . . 3.270 3.265 3.230 3.289 0.019 2 0 "[ . 1 . 2]" 1
744 1 80 GLU H 1 80 GLU HG2 . . 3.890 3.745 3.632 3.895 0.005 1 0 "[ . 1 . 2]" 1
745 1 80 GLU H 1 80 GLU HB2 . . 2.950 2.212 2.191 2.234 . 0 0 "[ . 1 . 2]" 1
746 1 73 ILE HA 1 74 VAL H . . 2.560 2.163 2.148 2.213 . 0 0 "[ . 1 . 2]" 1
747 1 65 ILE MD 1 74 VAL H . . 3.320 2.880 2.556 3.637 0.317 20 0 "[ . 1 . 2]" 1
748 1 89 ARG H 1 90 LYS H . . 4.140 4.000 3.953 4.115 . 0 0 "[ . 1 . 2]" 1
749 1 90 LYS H 1 90 LYS HB3 . . 2.850 2.622 2.420 2.814 . 0 0 "[ . 1 . 2]" 1
750 1 74 VAL HA 1 75 LEU H . . 2.550 2.143 2.141 2.161 . 0 0 "[ . 1 . 2]" 1
751 1 75 LEU H 1 75 LEU HG . . 4.560 3.967 3.759 4.096 . 0 0 "[ . 1 . 2]" 1
752 1 95 LEU HA 1 96 ASN H . . 2.690 2.152 2.143 2.164 . 0 0 "[ . 1 . 2]" 1
753 1 29 TYR HB3 1 96 ASN H . . 2.820 2.501 2.222 2.660 . 0 0 "[ . 1 . 2]" 1
754 1 95 LEU HG 1 96 ASN H . . 4.570 3.441 3.234 4.542 . 0 0 "[ . 1 . 2]" 1
755 1 104 GLN HB2 1 105 ALA H . . 4.170 3.455 2.007 4.168 . 0 0 "[ . 1 . 2]" 1
756 1 105 ALA H 1 105 ALA MB . . 2.950 2.519 2.118 2.889 . 0 0 "[ . 1 . 2]" 1
757 1 92 GLU HA 1 93 LEU H . . 2.450 2.145 2.139 2.161 . 0 0 "[ . 1 . 2]" 1
758 1 92 GLU HB3 1 93 LEU H . . 5.500 4.371 4.235 4.426 . 0 0 "[ . 1 . 2]" 1
759 1 7 GLU H 1 9 ALA H . . 5.500 4.949 4.467 5.488 . 0 0 "[ . 1 . 2]" 1
760 1 74 VAL HA 1 93 LEU H . . 4.050 3.650 3.528 3.978 . 0 0 "[ . 1 . 2]" 1
761 1 8 ASN HA 1 9 ALA H . . 3.070 2.398 2.215 2.974 . 0 0 "[ . 1 . 2]" 1
762 1 9 ALA H 1 9 ALA MB . . 2.560 2.231 2.028 2.561 0.001 17 0 "[ . 1 . 2]" 1
763 1 43 ILE H 1 43 ILE MD . . 2.640 2.333 2.254 2.475 . 0 0 "[ . 1 . 2]" 1
764 1 42 PHE QB 1 43 ILE H . . 3.950 3.812 3.771 3.845 . 0 0 "[ . 1 . 2]" 1
765 1 108 PRO HA 1 109 ALA H . . 2.550 2.374 2.159 2.550 0.000 8 0 "[ . 1 . 2]" 1
766 1 109 ALA H 1 109 ALA MB . . 2.840 2.331 2.041 2.784 . 0 0 "[ . 1 . 2]" 1
767 1 88 SER HA 1 89 ARG H . . 2.460 2.174 2.144 2.206 . 0 0 "[ . 1 . 2]" 1
768 1 78 LEU HA 1 89 ARG H . . 3.610 3.288 3.101 3.518 . 0 0 "[ . 1 . 2]" 1
769 1 89 ARG H 1 89 ARG HB3 . . 3.810 3.246 2.655 3.783 . 0 0 "[ . 1 . 2]" 1
770 1 88 SER H 1 89 ARG H . . 4.640 4.559 4.502 4.593 . 0 0 "[ . 1 . 2]" 1
771 1 88 SER QB 1 89 ARG H . . 3.230 3.148 2.953 3.256 0.026 20 0 "[ . 1 . 2]" 1
772 1 89 ARG H 1 89 ARG HB2 . . 3.810 2.835 2.583 3.280 . 0 0 "[ . 1 . 2]" 1
773 1 77 GLU H 1 89 ARG H . . 3.530 3.350 3.200 3.463 . 0 0 "[ . 1 . 2]" 1
774 1 76 ASN HA 1 77 GLU H . . 2.520 2.164 2.155 2.172 . 0 0 "[ . 1 . 2]" 1
775 1 77 GLU H 1 90 LYS HA . . 3.550 3.473 3.306 3.595 0.045 20 0 "[ . 1 . 2]" 1
776 1 67 SER QB 1 68 ILE H . . 3.520 3.146 2.438 3.494 . 0 0 "[ . 1 . 2]" 1
777 1 68 ILE H 1 68 ILE QG . . 3.240 3.179 2.124 3.399 0.159 17 0 "[ . 1 . 2]" 1
778 1 67 SER HA 1 68 ILE H . . 2.400 2.203 2.157 2.401 0.001 12 0 "[ . 1 . 2]" 1
779 1 39 VAL H 1 39 VAL QG . . 2.850 2.259 1.921 2.832 . 0 0 "[ . 1 . 2]" 1
780 1 38 LYS H 1 39 VAL H . . 5.500 4.375 4.339 4.441 . 0 0 "[ . 1 . 2]" 1
781 1 45 ALA HA 1 46 GLU H . . 2.580 2.156 2.142 2.173 . 0 0 "[ . 1 . 2]" 1
782 1 46 GLU H 1 46 GLU QG . . 2.840 2.639 2.439 2.861 0.021 18 0 "[ . 1 . 2]" 1
783 1 44 GLU QG 1 46 GLU H . . 4.150 3.493 3.267 4.048 . 0 0 "[ . 1 . 2]" 1
784 1 46 GLU H 1 46 GLU HA . . 2.570 2.288 2.282 2.294 . 0 0 "[ . 1 . 2]" 1
785 1 93 LEU HA 1 94 LEU H . . 2.410 2.243 2.225 2.292 . 0 0 "[ . 1 . 2]" 1
786 1 93 LEU H 1 94 LEU H . . 5.500 4.560 4.495 4.582 . 0 0 "[ . 1 . 2]" 1
787 1 67 SER H 1 68 ILE H . . 4.680 4.473 4.417 4.520 . 0 0 "[ . 1 . 2]" 1
788 1 71 ASP HA 1 95 LEU H . . 5.210 3.059 2.876 3.382 . 0 0 "[ . 1 . 2]" 1
789 1 29 TYR QE 1 95 LEU H . . 5.500 3.506 3.358 3.753 . 0 0 "[ . 1 . 2]" 1
790 1 106 ALA MB 1 107 ALA H . . 3.230 2.529 2.089 3.212 . 0 0 "[ . 1 . 2]" 1
791 1 107 ALA H 1 107 ALA MB . . 3.400 2.404 2.023 2.869 . 0 0 "[ . 1 . 2]" 1
792 1 105 ALA MB 1 106 ALA H . . 3.100 2.640 2.085 3.100 . 0 0 "[ . 1 . 2]" 1
793 1 4 LYS HA 1 5 LYS H . . 3.380 2.497 2.149 2.976 . 0 0 "[ . 1 . 2]" 1
794 1 103 GLU H 1 103 GLU QG . . 4.540 3.212 1.941 4.148 . 0 0 "[ . 1 . 2]" 1
795 1 103 GLU H 1 103 GLU QB . . 2.600 2.351 2.128 2.594 . 0 0 "[ . 1 . 2]" 1
796 1 102 THR MG 1 103 GLU H . . 4.960 4.201 3.998 4.370 . 0 0 "[ . 1 . 2]" 1
797 1 102 THR HA 1 103 GLU H . . 2.610 2.481 2.385 2.611 0.001 7 0 "[ . 1 . 2]" 1
798 1 86 TRP H 1 87 VAL H . . 4.480 4.485 4.452 4.498 0.018 3 0 "[ . 1 . 2]" 1
799 1 86 TRP H 1 86 TRP HD1 . . 2.910 2.784 2.731 2.870 . 0 0 "[ . 1 . 2]" 1
800 1 85 ASN HA 1 86 TRP H . . 2.400 2.307 2.291 2.323 . 0 0 "[ . 1 . 2]" 1
801 1 86 TRP H 1 86 TRP HB3 . . 3.200 3.063 3.035 3.112 . 0 0 "[ . 1 . 2]" 1
802 1 85 ASN QB 1 86 TRP H . . 2.880 2.869 2.825 2.908 0.028 13 0 "[ . 1 . 2]" 1
803 1 98 SER HA 1 99 ASP H . . 2.670 2.272 2.137 2.671 0.001 10 0 "[ . 1 . 2]" 1
804 1 48 TYR H 1 48 TYR QB . . 2.830 2.186 2.172 2.198 . 0 0 "[ . 1 . 2]" 1
805 1 45 ALA MB 1 48 TYR H . . 4.080 4.020 3.875 4.143 0.063 5 0 "[ . 1 . 2]" 1
806 1 48 TYR QB 1 49 VAL H . . 3.640 3.601 3.476 3.710 0.070 8 0 "[ . 1 . 2]" 1
807 1 48 TYR HA 1 49 VAL H . . 2.440 2.185 2.150 2.229 . 0 0 "[ . 1 . 2]" 1
808 1 12 THR HA 1 13 LYS H . . 3.220 2.730 2.455 3.570 0.350 8 0 "[ . 1 . 2]" 1
809 1 13 LYS H 1 13 LYS QB . . 2.520 2.441 2.184 2.979 0.459 11 0 "[ . 1 . 2]" 1
810 1 3 ASP QB 1 4 LYS H . . 3.480 2.968 2.416 3.439 . 0 0 "[ . 1 . 2]" 1
811 1 4 LYS H 1 5 LYS H . . 3.810 3.329 2.515 3.810 . 0 0 "[ . 1 . 2]" 1
812 1 4 LYS H 1 4 LYS QG . . 4.450 3.642 2.433 4.350 . 0 0 "[ . 1 . 2]" 1
813 1 4 LYS H 1 5 LYS QG . . 4.850 3.958 2.981 4.816 . 0 0 "[ . 1 . 2]" 1
814 1 86 TRP HA 1 87 VAL H . . 2.500 2.141 2.140 2.142 . 0 0 "[ . 1 . 2]" 1
815 1 87 VAL H 1 87 VAL MG2 . . 2.650 2.065 2.030 2.144 . 0 0 "[ . 1 . 2]" 1
816 1 12 THR H 1 13 LYS H . . 4.650 4.213 2.652 4.622 . 0 0 "[ . 1 . 2]" 1
817 1 14 ARG H 1 14 ARG QB . . 2.700 2.350 2.163 2.657 . 0 0 "[ . 1 . 2]" 1
818 1 14 ARG H 1 14 ARG QG . . 2.830 2.518 2.076 3.123 0.293 11 0 "[ . 1 . 2]" 1
819 1 34 LYS QG 1 40 SER H . . 5.500 5.258 4.192 5.587 0.087 5 0 "[ . 1 . 2]" 1
820 1 39 VAL HA 1 40 SER H . . 2.580 2.178 2.140 2.391 . 0 0 "[ . 1 . 2]" 1
821 1 39 VAL QG 1 40 SER H . . 2.730 2.393 2.098 2.913 0.183 5 0 "[ . 1 . 2]" 1
822 1 111 GLU HA 1 112 GLN H . . 2.570 2.418 2.213 2.564 . 0 0 "[ . 1 . 2]" 1
823 1 111 GLU QB 1 112 GLN H . . 2.950 2.593 2.073 2.950 . 0 0 "[ . 1 . 2]" 1
824 1 112 GLN H 1 112 GLN QB . . 3.090 2.502 2.183 3.087 . 0 0 "[ . 1 . 2]" 1
825 1 112 GLN H 1 112 GLN QG . . 4.170 3.432 2.089 4.154 . 0 0 "[ . 1 . 2]" 1
826 1 60 GLN HB2 1 61 ASN H . . 4.780 3.504 2.430 3.735 . 0 0 "[ . 1 . 2]" 1
827 1 60 GLN H 1 61 ASN H . . 3.060 2.616 1.989 2.802 . 0 0 "[ . 1 . 2]" 1
828 1 99 ASP QB 1 100 LYS H . . 4.160 3.899 3.720 4.034 . 0 0 "[ . 1 . 2]" 1
829 1 100 LYS H 1 100 LYS QG . . 3.410 2.422 1.936 3.427 0.017 10 0 "[ . 1 . 2]" 1
830 1 99 ASP HA 1 100 LYS H . . 3.000 2.743 2.389 3.001 0.001 2 0 "[ . 1 . 2]" 1
831 1 100 LYS H 1 100 LYS QB . . 2.890 2.560 2.041 2.915 0.025 2 0 "[ . 1 . 2]" 1
832 1 62 TYR QD 1 78 LEU H . . 5.500 4.315 4.172 4.427 . 0 0 "[ . 1 . 2]" 1
833 1 6 GLY QA 1 7 GLU H . . 2.400 2.229 2.111 2.404 0.004 13 0 "[ . 1 . 2]" 1
834 1 7 GLU H 1 7 GLU QG . . 2.990 2.586 2.057 2.982 . 0 0 "[ . 1 . 2]" 1
835 1 77 GLU QG 1 78 LEU H . . 2.940 2.808 2.587 2.999 0.059 20 0 "[ . 1 . 2]" 1
836 1 77 GLU HA 1 78 LEU H . . 2.970 2.155 2.142 2.181 . 0 0 "[ . 1 . 2]" 1
837 1 78 LEU H 1 78 LEU QB . . 3.220 2.249 2.207 2.322 . 0 0 "[ . 1 . 2]" 1
838 1 78 LEU H 1 79 ILE HA . . 5.490 5.241 5.164 5.321 . 0 0 "[ . 1 . 2]" 1
839 1 35 SER H 1 38 LYS H . . 3.560 2.915 2.602 3.438 . 0 0 "[ . 1 . 2]" 1
840 1 38 LYS H 1 38 LYS QG . . 3.410 2.821 2.306 3.420 0.010 6 0 "[ . 1 . 2]" 1
841 1 17 GLU HA 1 18 THR H . . 3.020 2.464 2.332 2.616 . 0 0 "[ . 1 . 2]" 1
842 1 18 THR H 1 18 THR HB . . 3.270 2.558 2.471 2.617 . 0 0 "[ . 1 . 2]" 1
843 1 17 GLU HG2 1 18 THR H . . 4.080 3.604 2.171 4.086 0.006 1 0 "[ . 1 . 2]" 1
844 1 31 GLY HA2 1 32 ILE H . . 2.860 2.327 2.256 2.398 . 0 0 "[ . 1 . 2]" 1
845 1 73 ILE H 1 93 LEU MD2 . . 4.880 4.332 4.108 4.423 . 0 0 "[ . 1 . 2]" 1
846 1 73 ILE H 1 73 ILE MG . . 4.160 3.663 3.506 3.903 . 0 0 "[ . 1 . 2]" 1
847 1 110 ALA HA 1 111 GLU H . . 2.710 2.321 2.143 2.608 . 0 0 "[ . 1 . 2]" 1
848 1 72 SER HB2 1 73 ILE H . . 3.980 3.084 2.732 3.447 . 0 0 "[ . 1 . 2]" 1
849 1 73 ILE H 1 94 LEU HA . . 4.290 3.832 3.662 4.010 . 0 0 "[ . 1 . 2]" 1
850 1 73 ILE H 1 73 ILE HB . . 3.660 3.633 3.354 3.714 0.054 8 0 "[ . 1 . 2]" 1
851 1 100 LYS H 1 101 ASN H . . 4.670 4.553 4.417 4.647 . 0 0 "[ . 1 . 2]" 1
852 1 101 ASN H 1 101 ASN QB . . 3.060 2.557 2.156 3.087 0.027 20 0 "[ . 1 . 2]" 1
853 1 85 ASN H 1 85 ASN HA . . 2.910 2.896 2.895 2.898 . 0 0 "[ . 1 . 2]" 1
854 1 81 ASP H 1 85 ASN H . . 3.260 2.880 2.759 2.935 . 0 0 "[ . 1 . 2]" 1
855 1 85 ASN H 1 85 ASN HD21 . . 4.920 4.917 4.866 4.944 0.024 13 0 "[ . 1 . 2]" 1
856 1 83 THR HB 1 85 ASN H . . 3.370 2.601 2.553 2.677 . 0 0 "[ . 1 . 2]" 1
857 1 84 GLY HA3 1 85 ASN H . . 3.230 3.151 3.104 3.177 . 0 0 "[ . 1 . 2]" 1
858 1 84 GLY HA2 1 85 ASN H . . 3.400 3.385 3.366 3.417 0.017 13 0 "[ . 1 . 2]" 1
859 1 85 ASN H 1 85 ASN QB . . 3.000 2.936 2.922 2.954 . 0 0 "[ . 1 . 2]" 1
860 1 79 ILE H 1 86 TRP HA . . 4.380 3.739 3.686 3.794 . 0 0 "[ . 1 . 2]" 1
861 1 76 ASN H 1 76 ASN HB2 . . 3.710 3.108 2.312 3.734 0.024 20 0 "[ . 1 . 2]" 1
862 1 75 LEU HB3 1 76 ASN H . . 3.990 3.890 3.842 3.933 . 0 0 "[ . 1 . 2]" 1
863 1 75 LEU MD2 1 76 ASN H . . 5.500 2.891 2.347 3.900 . 0 0 "[ . 1 . 2]" 1
864 1 78 LEU HA 1 79 ILE H . . 2.500 2.147 2.144 2.149 . 0 0 "[ . 1 . 2]" 1
865 1 79 ILE H 1 79 ILE MD . . 2.870 1.921 1.915 1.942 . 0 0 "[ . 1 . 2]" 1
866 1 53 GLY HA3 1 54 VAL H . . 2.770 2.567 2.528 2.643 . 0 0 "[ . 1 . 2]" 1
867 1 53 GLY HA2 1 54 VAL H . . 2.770 2.558 2.485 2.598 . 0 0 "[ . 1 . 2]" 1
868 1 54 VAL H 1 54 VAL QG . . 2.400 2.062 1.913 2.265 . 0 0 "[ . 1 . 2]" 1
869 1 65 ILE HA 1 76 ASN H . . 5.500 3.470 3.175 3.555 . 0 0 "[ . 1 . 2]" 1
870 1 41 GLY HA2 1 42 PHE H . . 3.180 3.203 3.032 3.265 0.085 19 0 "[ . 1 . 2]" 1
871 1 42 PHE H 1 42 PHE QB . . 3.000 2.340 2.298 2.432 . 0 0 "[ . 1 . 2]" 1
872 1 69 THR HA 1 70 ASP H . . 2.710 2.462 2.368 2.494 . 0 0 "[ . 1 . 2]" 1
873 1 69 THR HB 1 70 ASP H . . 2.940 2.381 2.263 2.697 . 0 0 "[ . 1 . 2]" 1
874 1 70 ASP H 1 70 ASP HB2 . . 2.940 2.355 2.196 2.569 . 0 0 "[ . 1 . 2]" 1
875 1 11 ASP H 1 11 ASP QB . . 3.080 2.743 2.226 3.082 0.002 6 0 "[ . 1 . 2]" 1
876 1 30 VAL H 1 30 VAL MG1 . . 3.330 2.893 2.802 3.076 . 0 0 "[ . 1 . 2]" 1
877 1 7 GLU HA 1 8 ASN H . . 2.590 2.453 2.219 2.591 0.001 13 0 "[ . 1 . 2]" 1
878 1 8 ASN H 1 8 ASN HB2 . . 3.500 2.621 2.241 3.579 0.079 12 0 "[ . 1 . 2]" 1
879 1 8 ASN H 1 8 ASN HB3 . . 3.500 2.960 2.421 3.534 0.034 20 0 "[ . 1 . 2]" 1
880 1 92 GLU H 1 92 GLU HB2 . . 3.380 3.105 3.034 3.201 . 0 0 "[ . 1 . 2]" 1
881 1 34 LYS HA 1 35 SER H . . 2.410 2.256 2.218 2.376 . 0 0 "[ . 1 . 2]" 1
882 1 35 SER H 1 35 SER QB . . 2.930 2.673 2.466 2.938 0.008 16 0 "[ . 1 . 2]" 1
883 1 34 LYS QG 1 35 SER H . . 4.010 3.920 3.362 4.016 0.006 16 0 "[ . 1 . 2]" 1
884 1 56 ASN HB2 1 57 TYR H . . 3.760 3.745 3.730 3.767 0.007 20 0 "[ . 1 . 2]" 1
885 1 11 ASP HA 1 12 THR H . . 2.590 2.296 2.138 2.609 0.019 1 0 "[ . 1 . 2]" 1
886 1 56 ASN HA 1 57 TYR H . . 3.020 2.607 2.588 2.622 . 0 0 "[ . 1 . 2]" 1
887 1 97 SER HA 1 98 SER H . . 3.360 2.947 2.464 3.450 0.090 19 0 "[ . 1 . 2]" 1
888 1 98 SER H 1 98 SER HB2 . . 3.630 2.819 2.242 3.595 . 0 0 "[ . 1 . 2]" 1
889 1 25 GLU HA 1 27 MET H . . 4.550 4.314 3.956 4.416 . 0 0 "[ . 1 . 2]" 1
890 1 27 MET H 1 28 ARG H . . 4.640 4.583 4.562 4.620 . 0 0 "[ . 1 . 2]" 1
891 1 26 ASN H 1 27 MET H . . 2.520 2.277 2.194 2.375 . 0 0 "[ . 1 . 2]" 1
892 1 26 ASN HB2 1 27 MET H . . 4.230 2.896 2.809 3.311 . 0 0 "[ . 1 . 2]" 1
893 1 27 MET H 1 27 MET QG . . 2.850 2.138 1.878 2.450 . 0 0 "[ . 1 . 2]" 1
894 1 27 MET H 1 27 MET HB2 . . 3.000 2.605 2.474 2.667 . 0 0 "[ . 1 . 2]" 1
895 1 55 GLY H 1 56 ASN H . . 3.010 2.725 2.664 2.789 . 0 0 "[ . 1 . 2]" 1
896 1 56 ASN H 1 57 TYR H . . 4.430 4.396 4.388 4.408 . 0 0 "[ . 1 . 2]" 1
897 1 55 GLY HA3 1 56 ASN H . . 3.510 2.557 2.546 2.570 . 0 0 "[ . 1 . 2]" 1
898 1 56 ASN H 1 56 ASN HB2 . . 2.860 2.879 2.837 2.924 0.064 16 0 "[ . 1 . 2]" 1
899 1 56 ASN H 1 65 ILE HB . . 4.520 4.296 4.210 4.411 . 0 0 "[ . 1 . 2]" 1
900 1 56 ASN H 1 65 ILE MG . . 2.640 1.846 1.757 2.018 . 0 0 "[ . 1 . 2]" 1
901 1 87 VAL HA 1 88 SER H . . 2.400 2.190 2.179 2.217 . 0 0 "[ . 1 . 2]" 1
902 1 20 GLU H 1 21 LYS H . . 3.000 2.673 2.598 2.754 . 0 0 "[ . 1 . 2]" 1
903 1 18 THR HB 1 20 GLU H . . 5.160 4.907 4.851 4.943 . 0 0 "[ . 1 . 2]" 1
904 1 20 GLU H 1 21 LYS HB2 . . 5.500 5.065 4.979 5.192 . 0 0 "[ . 1 . 2]" 1
905 1 58 LEU H 1 59 GLY HA2 . . 4.960 4.722 4.655 4.749 . 0 0 "[ . 1 . 2]" 1
906 1 57 TYR HA 1 58 LEU H . . 2.710 2.300 2.275 2.319 . 0 0 "[ . 1 . 2]" 1
907 1 58 LEU H 1 58 LEU HB3 . . 3.660 3.603 3.570 3.648 . 0 0 "[ . 1 . 2]" 1
908 1 58 LEU H 1 58 LEU MD1 . . 2.960 2.333 2.244 2.435 . 0 0 "[ . 1 . 2]" 1
909 1 50 TYR HA 1 51 THR H . . 2.570 2.160 2.154 2.169 . 0 0 "[ . 1 . 2]" 1
910 1 50 TYR HB2 1 51 THR H . . 3.530 3.246 3.190 3.289 . 0 0 "[ . 1 . 2]" 1
911 1 51 THR H 1 51 THR MG . . 4.040 3.772 3.729 3.810 . 0 0 "[ . 1 . 2]" 1
912 1 50 TYR HB3 1 51 THR H . . 4.490 4.292 4.267 4.320 . 0 0 "[ . 1 . 2]" 1
913 1 49 VAL QG 1 51 THR H . . 5.500 5.416 5.324 5.507 0.007 9 0 "[ . 1 . 2]" 1
914 1 28 ARG H 1 29 TYR HA . . 5.450 4.761 4.704 4.803 . 0 0 "[ . 1 . 2]" 1
915 1 28 ARG H 1 43 ILE HA . . 5.500 4.407 4.304 4.644 . 0 0 "[ . 1 . 2]" 1
916 1 27 MET HB3 1 28 ARG H . . 3.420 3.122 2.900 3.230 . 0 0 "[ . 1 . 2]" 1
917 1 26 ASN H 1 26 ASN HA . . 2.900 2.905 2.886 2.923 0.023 14 0 "[ . 1 . 2]" 1
918 1 24 LEU HA 1 26 ASN H . . 3.760 3.725 3.609 3.771 0.011 13 0 "[ . 1 . 2]" 1
919 1 26 ASN H 1 26 ASN HB3 . . 3.720 3.638 3.596 3.667 . 0 0 "[ . 1 . 2]" 1
920 1 21 LYS H 1 22 PHE H . . 2.790 2.659 2.528 2.718 . 0 0 "[ . 1 . 2]" 1
921 1 22 PHE H 1 22 PHE QD . . 2.910 2.505 1.970 2.686 . 0 0 "[ . 1 . 2]" 1
922 1 21 LYS HA 1 22 PHE H . . 3.320 3.089 3.024 3.370 0.050 17 0 "[ . 1 . 2]" 1
923 1 22 PHE H 1 27 MET ME . . 3.870 3.842 3.733 3.905 0.035 9 0 "[ . 1 . 2]" 1
924 1 21 LYS HB2 1 22 PHE H . . 3.910 3.848 3.272 3.954 0.044 8 0 "[ . 1 . 2]" 1
925 1 22 PHE H 1 22 PHE HB2 . . 2.970 2.673 2.492 2.738 . 0 0 "[ . 1 . 2]" 1
926 1 61 ASN HD21 1 79 ILE MD . . 5.480 5.159 5.090 5.250 . 0 0 "[ . 1 . 2]" 1
927 1 39 VAL QG 1 69 THR H . . 5.500 4.724 4.037 5.413 . 0 0 "[ . 1 . 2]" 1
928 1 68 ILE H 1 69 THR H . . 4.780 4.055 3.963 4.514 . 0 0 "[ . 1 . 2]" 1
929 1 69 THR H 1 72 SER H . . 4.180 3.908 3.691 4.020 . 0 0 "[ . 1 . 2]" 1
930 1 68 ILE HA 1 69 THR H . . 2.680 2.173 2.153 2.372 . 0 0 "[ . 1 . 2]" 1
931 1 69 THR H 1 69 THR MG . . 3.550 3.447 3.270 3.596 0.046 18 0 "[ . 1 . 2]" 1
932 1 68 ILE MG 1 69 THR H . . 3.060 2.807 1.895 3.038 . 0 0 "[ . 1 . 2]" 1
933 1 96 ASN HA 1 97 SER H . . 2.850 2.643 2.153 2.786 . 0 0 "[ . 1 . 2]" 1
934 1 96 ASN QB 1 97 SER H . . 4.100 3.857 3.098 4.040 . 0 0 "[ . 1 . 2]" 1
935 1 96 ASN H 1 97 SER H . . 4.350 3.394 3.102 4.400 0.050 4 0 "[ . 1 . 2]" 1
936 1 21 LYS H 1 21 LYS HB2 . . 2.720 2.590 2.559 2.697 . 0 0 "[ . 1 . 2]" 1
937 1 85 ASN HD22 1 86 TRP HE3 . . 3.070 3.181 3.161 3.216 0.146 13 0 "[ . 1 . 2]" 1
938 1 83 THR HB 1 85 ASN HD22 . . 5.040 4.977 4.939 5.029 . 0 0 "[ . 1 . 2]" 1
939 1 54 VAL QG 1 55 GLY H . . 2.910 2.828 2.794 2.884 . 0 0 "[ . 1 . 2]" 1
940 1 55 GLY H 1 65 ILE MG . . 2.800 2.583 2.335 2.716 . 0 0 "[ . 1 . 2]" 1
941 1 83 THR HB 1 85 ASN HD21 . . 5.500 5.555 5.528 5.597 0.097 13 0 "[ . 1 . 2]" 1
942 1 18 THR HB 1 19 LEU H . . 3.140 2.813 2.650 3.037 . 0 0 "[ . 1 . 2]" 1
943 1 18 THR MG 1 19 LEU H . . 3.560 3.596 3.548 3.725 0.165 1 0 "[ . 1 . 2]" 1
944 1 19 LEU H 1 19 LEU MD2 . . 4.010 2.254 1.964 3.049 . 0 0 "[ . 1 . 2]" 1
945 1 19 LEU H 1 19 LEU MD1 . . 4.010 3.851 3.764 3.924 . 0 0 "[ . 1 . 2]" 1
946 1 101 ASN QB 1 102 THR H . . 4.430 3.680 2.876 4.029 . 0 0 "[ . 1 . 2]" 1
947 1 101 ASN HA 1 102 THR H . . 2.400 2.228 2.140 2.402 0.002 20 0 "[ . 1 . 2]" 1
948 1 102 THR H 1 102 THR MG . . 3.540 2.555 1.937 3.196 . 0 0 "[ . 1 . 2]" 1
949 1 72 SER H 1 73 ILE QG . . 4.860 3.791 3.563 3.937 . 0 0 "[ . 1 . 2]" 1
950 1 23 SER H 1 26 ASN HD21 . . 3.770 2.899 2.216 3.550 . 0 0 "[ . 1 . 2]" 1
951 1 23 SER H 1 23 SER QB . . 2.400 2.173 2.092 2.304 . 0 0 "[ . 1 . 2]" 1
952 1 22 PHE HB3 1 23 SER H . . 3.050 2.913 2.646 3.101 0.051 19 0 "[ . 1 . 2]" 1
953 1 71 ASP HA 1 72 SER H . . 3.240 2.956 2.842 3.030 . 0 0 "[ . 1 . 2]" 1
954 1 72 SER H 1 95 LEU QB . . 3.920 3.981 3.722 4.106 0.186 1 0 "[ . 1 . 2]" 1
955 1 32 ILE MG 1 72 SER H . . 5.500 4.459 3.787 5.278 . 0 0 "[ . 1 . 2]" 1
956 1 25 GLU H 1 26 ASN H . . 2.770 2.733 2.611 2.760 . 0 0 "[ . 1 . 2]" 1
957 1 25 GLU H 1 25 GLU HA . . 2.930 2.766 2.756 2.813 . 0 0 "[ . 1 . 2]" 1
958 1 25 GLU H 1 25 GLU QG . . 2.830 2.093 1.919 3.447 0.617 14 1 "[ . 1 +. 2]" 1
959 1 24 LEU QB 1 25 GLU H . . 3.030 2.588 2.503 2.839 . 0 0 "[ . 1 . 2]" 1
960 1 59 GLY HA3 1 60 GLN H . . 3.220 2.790 2.726 2.882 . 0 0 "[ . 1 . 2]" 1
961 1 60 GLN H 1 60 GLN HB3 . . 3.630 2.563 2.341 3.349 . 0 0 "[ . 1 . 2]" 1
962 1 83 THR H 1 83 THR HB . . 3.410 2.965 2.908 3.009 . 0 0 "[ . 1 . 2]" 1
963 1 82 SER HA 1 83 THR H . . 3.500 3.439 3.431 3.454 . 0 0 "[ . 1 . 2]" 1
964 1 83 THR H 1 84 GLY HA2 . . 5.500 5.244 5.239 5.247 . 0 0 "[ . 1 . 2]" 1
965 1 62 TYR H 1 62 TYR QD . . 4.430 3.167 2.780 3.346 . 0 0 "[ . 1 . 2]" 1
966 1 81 ASP HA 1 82 SER H . . 3.040 2.758 2.683 2.784 . 0 0 "[ . 1 . 2]" 1
967 1 81 ASP HB2 1 82 SER H . . 3.670 3.316 1.956 3.592 . 0 0 "[ . 1 . 2]" 1
968 1 81 ASP HB3 1 82 SER H . . 3.670 2.432 1.924 3.506 . 0 0 "[ . 1 . 2]" 1
969 1 96 ASN QB 1 96 ASN QD . . 3.000 2.258 2.232 2.382 . 0 0 "[ . 1 . 2]" 1
970 1 26 ASN HA 1 26 ASN HD22 . . 4.370 4.267 4.034 4.404 0.034 15 0 "[ . 1 . 2]" 1
971 1 23 SER QB 1 26 ASN HD22 . . 3.690 2.318 2.104 2.491 . 0 0 "[ . 1 . 2]" 1
972 1 26 ASN HB2 1 26 ASN HD22 . . 3.740 3.530 3.495 3.568 . 0 0 "[ . 1 . 2]" 1
973 1 26 ASN HA 1 26 ASN HD21 . . 3.800 3.666 3.360 3.823 0.023 3 0 "[ . 1 . 2]" 1
974 1 23 SER QB 1 26 ASN HD21 . . 3.630 2.070 1.862 2.282 . 0 0 "[ . 1 . 2]" 1
975 1 26 ASN HB2 1 26 ASN HD21 . . 3.200 2.359 2.273 2.451 . 0 0 "[ . 1 . 2]" 1
976 1 25 GLU QG 1 26 ASN HD21 . . 4.520 4.279 2.573 4.530 0.010 15 0 "[ . 1 . 2]" 1
977 1 71 ASP H 1 95 LEU QB . . 3.820 3.736 3.633 3.969 0.149 16 0 "[ . 1 . 2]" 1
978 1 71 ASP H 1 71 ASP HA . . 2.610 2.279 2.276 2.292 . 0 0 "[ . 1 . 2]" 1
979 1 66 GLU H 1 67 SER H . . 2.790 2.126 1.959 2.576 . 0 0 "[ . 1 . 2]" 1
980 1 67 SER H 1 74 VAL H . . 3.840 3.574 3.497 3.816 . 0 0 "[ . 1 . 2]" 1
981 1 67 SER H 1 75 LEU HA . . 4.170 3.967 3.867 4.119 . 0 0 "[ . 1 . 2]" 1
982 1 67 SER H 1 67 SER QB . . 2.780 2.590 2.249 2.906 0.126 1 0 "[ . 1 . 2]" 1
983 1 66 GLU HB2 1 67 SER H . . 3.410 2.553 2.264 2.853 . 0 0 "[ . 1 . 2]" 1
984 1 83 THR MG 1 84 GLY H . . 5.500 4.277 4.246 4.303 . 0 0 "[ . 1 . 2]" 1
985 1 56 ASN HA 1 56 ASN HD21 . . 3.600 2.968 2.872 3.105 . 0 0 "[ . 1 . 2]" 1
986 1 5 LYS HA 1 6 GLY H . . 2.490 2.408 2.285 2.491 0.001 15 0 "[ . 1 . 2]" 1
987 1 6 GLY H 1 6 GLY QA . . 2.550 2.370 2.190 2.502 . 0 0 "[ . 1 . 2]" 1
988 1 40 SER HA 1 41 GLY H . . 2.520 2.272 2.158 2.477 . 0 0 "[ . 1 . 2]" 1
989 1 40 SER HB2 1 41 GLY H . . 3.790 3.405 2.534 3.903 0.113 20 0 "[ . 1 . 2]" 1
990 1 32 ILE MG 1 41 GLY H . . 4.690 3.891 3.624 4.157 . 0 0 "[ . 1 . 2]" 1
991 1 39 VAL QG 1 41 GLY H . . 5.190 4.414 3.945 4.883 . 0 0 "[ . 1 . 2]" 1
992 1 41 GLY H 1 68 ILE MG . . 3.100 2.270 1.924 2.922 . 0 0 "[ . 1 . 2]" 1
993 1 41 GLY H 1 68 ILE QG . . 3.470 2.832 2.358 3.558 0.088 20 0 "[ . 1 . 2]" 1
994 1 31 GLY H 1 42 PHE QB . . 4.360 2.493 2.206 2.591 . 0 0 "[ . 1 . 2]" 1
995 1 30 VAL MG2 1 31 GLY H . . 4.050 1.894 1.873 1.913 . 0 0 "[ . 1 . 2]" 1
996 1 40 SER HA 1 53 GLY H . . 5.500 5.269 4.783 5.545 0.045 18 0 "[ . 1 . 2]" 1
997 1 52 VAL HA 1 53 GLY H . . 2.670 2.289 2.241 2.473 . 0 0 "[ . 1 . 2]" 1
998 1 53 GLY H 1 65 ILE MG . . 3.020 2.945 2.884 3.027 0.007 16 0 "[ . 1 . 2]" 1
999 1 52 VAL MG1 1 53 GLY H . . 4.130 3.700 3.520 3.957 . 0 0 "[ . 1 . 2]" 1
1000 1 45 ALA HA 1 47 GLY H . . 4.830 4.365 4.061 4.618 . 0 0 "[ . 1 . 2]" 1
1001 1 47 GLY H 1 47 GLY HA2 . . 2.940 2.913 2.910 2.917 . 0 0 "[ . 1 . 2]" 1
1002 1 46 GLU HA 1 47 GLY H . . 2.990 2.592 2.494 2.705 . 0 0 "[ . 1 . 2]" 1
1003 1 58 LEU MD1 1 63 GLY H . . 5.140 4.601 4.420 4.914 . 0 0 "[ . 1 . 2]" 1
1004 1 2 THR HB 1 3 ASP H . . 5.070 3.249 2.010 4.554 . 0 0 "[ . 1 . 2]" 1
1005 1 4 LYS QG 1 5 LYS H . . 5.040 4.146 3.098 4.793 . 0 0 "[ . 1 . 2]" 1
1006 1 11 ASP H 1 12 THR H . . 4.350 4.272 3.640 4.394 0.044 1 0 "[ . 1 . 2]" 1
1007 1 12 THR H 1 14 ARG H . . 4.910 4.416 2.985 4.938 0.028 9 0 "[ . 1 . 2]" 1
1008 1 11 ASP QB 1 12 THR H . . 3.990 3.243 2.078 3.963 . 0 0 "[ . 1 . 2]" 1
1009 1 16 LYS H 1 17 GLU H . . 4.670 3.907 2.478 4.644 . 0 0 "[ . 1 . 2]" 1
1010 1 17 GLU H 1 18 THR H . . 4.830 4.466 4.377 4.647 . 0 0 "[ . 1 . 2]" 1
1011 1 20 GLU H 1 22 PHE H . . 4.410 4.280 3.943 4.371 . 0 0 "[ . 1 . 2]" 1
1012 1 28 ARG H 1 45 ALA HA . . 4.150 3.829 3.739 4.006 . 0 0 "[ . 1 . 2]" 1
1013 1 30 VAL H 1 44 GLU H . . 4.250 3.623 3.523 3.759 . 0 0 "[ . 1 . 2]" 1
1014 1 30 VAL H 1 42 PHE QB . . 4.830 3.897 3.790 3.947 . 0 0 "[ . 1 . 2]" 1
1015 1 28 ARG QB 1 30 VAL H . . 5.490 5.099 4.870 5.504 0.014 16 0 "[ . 1 . 2]" 1
1016 1 32 ILE H 1 32 ILE MD . . 3.990 3.045 1.901 4.008 0.018 9 0 "[ . 1 . 2]" 1
1017 1 31 GLY H 1 32 ILE H . . 4.560 4.314 4.250 4.346 . 0 0 "[ . 1 . 2]" 1
1018 1 37 GLN H 1 38 LYS H . . 4.320 2.479 1.899 2.970 . 0 0 "[ . 1 . 2]" 1
1019 1 38 LYS H 1 39 VAL QG . . 5.480 4.870 3.896 5.297 . 0 0 "[ . 1 . 2]" 1
1020 1 39 VAL H 1 40 SER H . . 4.530 4.339 4.181 4.473 . 0 0 "[ . 1 . 2]" 1
1021 1 40 SER H 1 68 ILE MG . . 4.710 4.129 3.809 4.686 . 0 0 "[ . 1 . 2]" 1
1022 1 40 SER H 1 41 GLY H . . 4.900 4.467 4.307 4.537 . 0 0 "[ . 1 . 2]" 1
1023 1 41 GLY H 1 51 THR MG . . 4.270 3.686 3.326 3.869 . 0 0 "[ . 1 . 2]" 1
1024 1 41 GLY H 1 42 PHE H . . 4.860 4.492 4.409 4.560 . 0 0 "[ . 1 . 2]" 1
1025 1 42 PHE H 1 52 VAL H . . 5.300 4.715 4.647 4.841 . 0 0 "[ . 1 . 2]" 1
1026 1 42 PHE H 1 43 ILE H . . 4.850 4.349 4.321 4.375 . 0 0 "[ . 1 . 2]" 1
1027 1 43 ILE H 1 51 THR H . . 5.370 4.765 4.682 4.813 . 0 0 "[ . 1 . 2]" 1
1028 1 29 TYR QD 1 43 ILE H . . 5.500 4.677 4.501 4.915 . 0 0 "[ . 1 . 2]" 1
1029 1 42 PHE QE 1 43 ILE H . . 5.500 4.254 4.139 4.358 . 0 0 "[ . 1 . 2]" 1
1030 1 43 ILE H 1 50 TYR H . . 4.040 3.933 3.858 4.004 . 0 0 "[ . 1 . 2]" 1
1031 1 28 ARG HA 1 44 GLU H . . 5.270 4.961 4.917 5.016 . 0 0 "[ . 1 . 2]" 1
1032 1 45 ALA H 1 46 GLU H . . 4.270 4.084 4.014 4.157 . 0 0 "[ . 1 . 2]" 1
1033 1 46 GLU QG 1 47 GLY H . . 4.640 4.510 4.487 4.548 . 0 0 "[ . 1 . 2]" 1
1034 1 45 ALA MB 1 47 GLY H . . 5.310 4.935 4.771 5.071 . 0 0 "[ . 1 . 2]" 1
1035 1 45 ALA H 1 47 GLY H . . 4.670 4.240 4.056 4.400 . 0 0 "[ . 1 . 2]" 1
1036 1 46 GLU H 1 48 TYR H . . 4.780 4.431 4.359 4.481 . 0 0 "[ . 1 . 2]" 1
1037 1 44 GLU HA 1 48 TYR H . . 5.420 5.319 5.243 5.366 . 0 0 "[ . 1 . 2]" 1
1038 1 50 TYR H 1 50 TYR HB2 . . 3.950 3.880 3.859 3.907 . 0 0 "[ . 1 . 2]" 1
1039 1 43 ILE HB 1 50 TYR H . . 5.500 4.624 4.459 4.722 . 0 0 "[ . 1 . 2]" 1
1040 1 51 THR H 1 52 VAL H . . 4.730 4.572 4.568 4.577 . 0 0 "[ . 1 . 2]" 1
1041 1 50 TYR H 1 51 THR H . . 4.350 4.296 4.278 4.325 . 0 0 "[ . 1 . 2]" 1
1042 1 53 GLY H 1 56 ASN H . . 4.640 4.563 4.336 4.693 0.053 12 0 "[ . 1 . 2]" 1
1043 1 52 VAL H 1 53 GLY H . . 4.470 4.389 4.339 4.413 . 0 0 "[ . 1 . 2]" 1
1044 1 40 SER HA 1 54 VAL H . . 4.240 4.285 4.214 4.320 0.080 16 0 "[ . 1 . 2]" 1
1045 1 54 VAL H 1 68 ILE H . . 5.500 5.567 4.584 5.666 0.166 11 0 "[ . 1 . 2]" 1
1046 1 55 GLY H 1 65 ILE H . . 4.800 4.696 4.600 4.769 . 0 0 "[ . 1 . 2]" 1
1047 1 56 ASN H 1 65 ILE HA . . 5.500 4.568 4.541 4.605 . 0 0 "[ . 1 . 2]" 1
1048 1 52 VAL HB 1 56 ASN H . . 5.040 4.493 4.440 4.578 . 0 0 "[ . 1 . 2]" 1
1049 1 57 TYR H 1 65 ILE MG . . 3.960 3.784 3.706 4.038 0.078 20 0 "[ . 1 . 2]" 1
1050 1 52 VAL HB 1 57 TYR H . . 4.650 4.257 4.160 4.334 . 0 0 "[ . 1 . 2]" 1
1051 1 56 ASN HD21 1 57 TYR H . . 4.700 4.160 4.118 4.231 . 0 0 "[ . 1 . 2]" 1
1052 1 59 GLY H 1 60 GLN H . . 4.730 4.603 4.583 4.616 . 0 0 "[ . 1 . 2]" 1
1053 1 58 LEU H 1 59 GLY H . . 5.500 4.365 4.364 4.366 . 0 0 "[ . 1 . 2]" 1
1054 1 60 GLN H 1 63 GLY H . . 5.470 4.731 4.374 4.914 . 0 0 "[ . 1 . 2]" 1
1055 1 24 LEU H 1 60 GLN H . . 4.520 4.250 3.772 4.614 0.094 10 0 "[ . 1 . 2]" 1
1056 1 61 ASN H 1 79 ILE MG . . 4.340 3.496 3.232 3.648 . 0 0 "[ . 1 . 2]" 1
1057 1 62 TYR H 1 62 TYR QE . . 5.190 4.756 4.600 4.874 . 0 0 "[ . 1 . 2]" 1
1058 1 62 TYR H 1 77 GLU QG . . 5.500 3.726 3.598 4.154 . 0 0 "[ . 1 . 2]" 1
1059 1 61 ASN H 1 63 GLY H . . 5.500 5.095 4.234 5.341 . 0 0 "[ . 1 . 2]" 1
1060 1 57 TYR QD 1 63 GLY H . . 5.500 5.027 4.837 5.291 . 0 0 "[ . 1 . 2]" 1
1061 1 63 GLY H 1 77 GLU QG . . 5.500 5.103 4.904 5.581 0.081 20 0 "[ . 1 . 2]" 1
1062 1 64 ARG H 1 77 GLU H . . 5.500 4.659 4.599 4.706 . 0 0 "[ . 1 . 2]" 1
1063 1 63 GLY H 1 64 ARG H . . 4.550 4.510 4.489 4.534 . 0 0 "[ . 1 . 2]" 1
1064 1 66 GLU QG 1 67 SER H . . 4.590 4.184 3.946 4.376 . 0 0 "[ . 1 . 2]" 1
1065 1 29 TYR QE 1 69 THR H . . 5.310 5.157 4.736 5.319 0.009 1 0 "[ . 1 . 2]" 1
1066 1 68 ILE HB 1 69 THR H . . 5.500 4.191 3.217 4.330 . 0 0 "[ . 1 . 2]" 1
1067 1 29 TYR QE 1 71 ASP H . . 5.500 3.476 3.107 4.190 . 0 0 "[ . 1 . 2]" 1
1068 1 32 ILE MD 1 71 ASP H . . 5.500 3.850 1.916 5.524 0.024 2 0 "[ . 1 . 2]" 1
1069 1 71 ASP H 1 73 ILE QG . . 5.500 5.561 5.527 5.640 0.140 16 0 "[ . 1 . 2]" 1
1070 1 32 ILE MG 1 71 ASP H . . 5.500 3.495 2.697 4.346 . 0 0 "[ . 1 . 2]" 1
1071 1 70 ASP HA 1 72 SER H . . 4.420 3.657 3.564 3.735 . 0 0 "[ . 1 . 2]" 1
1072 1 72 SER H 1 73 ILE H . . 4.340 4.192 4.043 4.323 . 0 0 "[ . 1 . 2]" 1
1073 1 74 VAL H 1 92 GLU HA . . 5.500 4.518 4.339 4.783 . 0 0 "[ . 1 . 2]" 1
1074 1 68 ILE HA 1 74 VAL H . . 4.130 3.224 2.806 3.563 . 0 0 "[ . 1 . 2]" 1
1075 1 67 SER QB 1 74 VAL H . . 4.020 2.893 2.604 4.141 0.121 12 0 "[ . 1 . 2]" 1
1076 1 75 LEU H 1 76 ASN H . . 4.580 4.430 4.414 4.461 . 0 0 "[ . 1 . 2]" 1
1077 1 75 LEU H 1 90 LYS HA . . 5.130 4.708 4.398 5.041 . 0 0 "[ . 1 . 2]" 1
1078 1 74 VAL HB 1 75 LEU H . . 4.610 4.275 4.183 4.403 . 0 0 "[ . 1 . 2]" 1
1079 1 75 LEU H 1 75 LEU HB2 . . 4.010 3.895 3.835 3.928 . 0 0 "[ . 1 . 2]" 1
1080 1 75 LEU H 1 75 LEU HB3 . . 3.830 3.033 2.867 3.122 . 0 0 "[ . 1 . 2]" 1
1081 1 65 ILE HB 1 76 ASN H . . 5.500 5.426 5.050 5.552 0.052 5 0 "[ . 1 . 2]" 1
1082 1 77 GLU H 1 88 SER HA . . 5.430 5.134 5.005 5.239 . 0 0 "[ . 1 . 2]" 1
1083 1 76 ASN HB2 1 77 GLU H . . 4.660 4.240 3.763 4.625 . 0 0 "[ . 1 . 2]" 1
1084 1 77 GLU H 1 78 LEU H . . 4.650 4.506 4.472 4.545 . 0 0 "[ . 1 . 2]" 1
1085 1 78 LEU H 1 79 ILE H . . 4.490 4.414 4.382 4.433 . 0 0 "[ . 1 . 2]" 1
1086 1 79 ILE H 1 88 SER QB . . 5.500 5.507 5.385 5.632 0.132 1 0 "[ . 1 . 2]" 1
1087 1 69 THR H 1 74 VAL H . . 4.350 4.130 3.936 4.423 0.073 16 0 "[ . 1 . 2]" 1
1088 1 61 ASN HD21 1 80 GLU H . . 3.710 2.894 2.740 3.049 . 0 0 "[ . 1 . 2]" 1
1089 1 81 ASP H 1 87 VAL H . . 4.230 4.139 3.944 4.247 0.017 12 0 "[ . 1 . 2]" 1
1090 1 80 GLU HB2 1 81 ASP H . . 4.260 4.128 4.030 4.231 . 0 0 "[ . 1 . 2]" 1
1091 1 81 ASP H 1 82 SER H . . 4.450 4.307 4.290 4.350 . 0 0 "[ . 1 . 2]" 1
1092 1 82 SER H 1 87 VAL MG2 . . 5.500 4.848 4.680 4.990 . 0 0 "[ . 1 . 2]" 1
1093 1 84 GLY H 1 85 ASN QB . . 4.980 4.872 4.820 4.909 . 0 0 "[ . 1 . 2]" 1
1094 1 80 GLU HG2 1 84 GLY H . . 5.500 5.430 5.277 5.511 0.011 19 0 "[ . 1 . 2]" 1
1095 1 85 ASN H 1 85 ASN HD22 . . 5.180 5.181 5.145 5.214 0.034 13 0 "[ . 1 . 2]" 1
1096 1 85 ASN H 1 87 VAL MG1 . . 4.880 3.729 3.565 3.825 . 0 0 "[ . 1 . 2]" 1
1097 1 80 GLU HG2 1 85 ASN H . . 4.290 3.860 3.696 4.057 . 0 0 "[ . 1 . 2]" 1
1098 1 80 GLU HA 1 86 TRP H . . 5.500 3.524 3.481 3.558 . 0 0 "[ . 1 . 2]" 1
1099 1 86 TRP H 1 87 VAL MG1 . . 5.010 4.804 4.659 4.936 . 0 0 "[ . 1 . 2]" 1
1100 1 80 GLU HG2 1 86 TRP H . . 4.570 2.722 2.573 2.970 . 0 0 "[ . 1 . 2]" 1
1101 1 78 LEU HA 1 87 VAL H . . 4.510 4.267 4.225 4.341 . 0 0 "[ . 1 . 2]" 1
1102 1 87 VAL H 1 88 SER H . . 4.690 4.492 4.478 4.517 . 0 0 "[ . 1 . 2]" 1
1103 1 78 LEU HA 1 88 SER H . . 5.500 4.455 4.254 4.655 . 0 0 "[ . 1 . 2]" 1
1104 1 77 GLU QG 1 89 ARG H . . 4.130 4.215 4.160 4.373 0.243 20 0 "[ . 1 . 2]" 1
1105 1 76 ASN HA 1 90 LYS H . . 4.610 4.142 4.036 4.290 . 0 0 "[ . 1 . 2]" 1
1106 1 75 LEU H 1 93 LEU H . . 5.500 4.410 4.167 4.705 . 0 0 "[ . 1 . 2]" 1
1107 1 73 ILE HB 1 93 LEU H . . 4.760 4.423 3.930 4.705 . 0 0 "[ . 1 . 2]" 1
1108 1 91 ALA MB 1 93 LEU H . . 5.270 4.599 4.414 4.981 . 0 0 "[ . 1 . 2]" 1
1109 1 73 ILE H 1 94 LEU H . . 5.500 5.141 5.064 5.204 . 0 0 "[ . 1 . 2]" 1
1110 1 94 LEU H 1 95 LEU H . . 4.730 4.478 4.437 4.501 . 0 0 "[ . 1 . 2]" 1
1111 1 95 LEU H 1 96 ASN H . . 4.510 4.541 4.507 4.566 0.056 20 0 "[ . 1 . 2]" 1
1112 1 99 ASP H 1 99 ASP QB . . 3.000 2.673 2.355 3.006 0.006 11 0 "[ . 1 . 2]" 1
1113 1 104 GLN HB3 1 105 ALA H . . 4.170 3.046 1.947 4.136 . 0 0 "[ . 1 . 2]" 1
1114 1 54 VAL HA 1 54 VAL QG . . 2.940 2.207 2.078 2.318 . 0 0 "[ . 1 . 2]" 1
1115 1 67 SER QB 1 69 THR MG . . 4.450 4.206 3.688 4.492 0.042 18 0 "[ . 1 . 2]" 1
1116 1 67 SER QB 1 74 VAL HB . . 4.010 1.988 1.846 2.976 . 0 0 "[ . 1 . 2]" 1
1117 1 67 SER QB 1 68 ILE HA . . 4.710 4.061 4.016 4.176 . 0 0 "[ . 1 . 2]" 1
1118 1 87 VAL HA 1 88 SER QB . . 5.500 4.215 4.075 4.762 . 0 0 "[ . 1 . 2]" 1
1119 1 65 ILE HA 1 75 LEU HB2 . . 5.500 2.081 1.969 2.143 . 0 0 "[ . 1 . 2]" 1
1120 1 35 SER QB 1 38 LYS QG . . 4.360 3.101 1.872 4.359 . 0 0 "[ . 1 . 2]" 1
1121 1 35 SER QB 1 38 LYS QB . . 3.940 3.284 2.271 3.962 0.022 5 0 "[ . 1 . 2]" 1
1122 1 35 SER QB 1 38 LYS QD . . 4.530 3.464 1.980 4.525 . 0 0 "[ . 1 . 2]" 1
1123 1 82 SER HA 1 82 SER HB3 . . 3.000 2.775 2.325 3.003 0.003 17 0 "[ . 1 . 2]" 1
1124 1 82 SER HA 1 82 SER HB2 . . 3.000 2.622 2.299 3.001 0.001 18 0 "[ . 1 . 2]" 1
1125 1 2 THR HA 1 2 THR MG . . 3.260 2.391 2.054 3.207 . 0 0 "[ . 1 . 2]" 1
1126 1 83 THR HA 1 83 THR MG . . 2.950 2.109 2.071 2.148 . 0 0 "[ . 1 . 2]" 1
1127 1 57 TYR QD 1 62 TYR HA . . 5.490 5.162 4.862 5.443 . 0 0 "[ . 1 . 2]" 1
1128 1 52 VAL HA 1 52 VAL MG1 . . 3.310 2.336 2.233 2.380 . 0 0 "[ . 1 . 2]" 1
1129 1 25 GLU HA 1 25 GLU QB . . 2.600 2.315 2.156 2.341 . 0 0 "[ . 1 . 2]" 1
1130 1 96 ASN QB 1 97 SER HA . . 4.740 4.494 4.264 4.776 0.036 16 0 "[ . 1 . 2]" 1
1131 1 95 LEU HG 1 97 SER HA . . 5.060 3.661 3.182 5.021 . 0 0 "[ . 1 . 2]" 1
1132 1 67 SER HA 1 69 THR MG . . 5.500 5.456 5.320 5.595 0.095 12 0 "[ . 1 . 2]" 1
1133 1 67 SER HA 1 67 SER QB . . 2.700 2.380 2.200 2.541 . 0 0 "[ . 1 . 2]" 1
1134 1 30 VAL MG2 1 43 ILE HA . . 4.270 2.336 2.247 2.378 . 0 0 "[ . 1 . 2]" 1
1135 1 66 GLU HA 1 66 GLU QG . . 3.450 2.486 2.180 2.859 . 0 0 "[ . 1 . 2]" 1
1136 1 19 LEU HA 1 22 PHE HB3 . . 4.870 4.604 4.188 4.737 . 0 0 "[ . 1 . 2]" 1
1137 1 18 THR MG 1 19 LEU HA . . 5.110 3.606 3.536 3.689 . 0 0 "[ . 1 . 2]" 1
1138 1 112 GLN HA 1 112 GLN QB . . 2.550 2.374 2.179 2.489 . 0 0 "[ . 1 . 2]" 1
1139 1 13 LYS HA 1 13 LYS QB . . 2.550 2.407 2.150 2.524 . 0 0 "[ . 1 . 2]" 1
1140 1 12 THR MG 1 13 LYS HA . . 4.590 4.291 2.996 4.595 0.005 12 0 "[ . 1 . 2]" 1
1141 1 14 ARG HA 1 14 ARG QG . . 2.880 2.588 2.154 3.310 0.430 19 0 "[ . 1 . 2]" 1
1142 1 21 LYS HA 1 21 LYS HB3 . . 3.000 2.412 2.359 2.431 . 0 0 "[ . 1 . 2]" 1
1143 1 4 LYS HA 1 4 LYS QG . . 2.850 2.433 2.154 2.731 . 0 0 "[ . 1 . 2]" 1
1144 1 13 LYS HA 1 13 LYS QG . . 2.520 2.407 2.218 3.101 0.581 13 1 "[ . 1 + . 2]" 1
1145 1 42 PHE HA 1 52 VAL MG1 . . 5.210 4.873 4.588 4.994 . 0 0 "[ . 1 . 2]" 1
1146 1 27 MET HA 1 45 ALA HA . . 4.570 2.412 2.138 2.652 . 0 0 "[ . 1 . 2]" 1
1147 1 104 GLN HA 1 104 GLN QG . . 3.690 2.609 2.115 3.448 . 0 0 "[ . 1 . 2]" 1
1148 1 27 MET HA 1 43 ILE MG . . 5.430 3.238 3.012 3.671 . 0 0 "[ . 1 . 2]" 1
1149 1 27 MET HA 1 27 MET QG . . 3.660 2.600 2.330 2.805 . 0 0 "[ . 1 . 2]" 1
1150 1 80 GLU HA 1 80 GLU HG3 . . 4.180 2.965 2.807 3.070 . 0 0 "[ . 1 . 2]" 1
1151 1 80 GLU HA 1 86 TRP HA . . 3.380 1.944 1.910 1.967 . 0 0 "[ . 1 . 2]" 1
1152 1 92 GLU HA 1 93 LEU HA . . 4.550 4.398 4.388 4.417 . 0 0 "[ . 1 . 2]" 1
1153 1 94 LEU HA 1 94 LEU HG . . 4.240 3.460 2.765 3.685 . 0 0 "[ . 1 . 2]" 1
1154 1 3 ASP HA 1 3 ASP QB . . 2.550 2.324 2.173 2.483 . 0 0 "[ . 1 . 2]" 1
1155 1 32 ILE QG 1 33 LEU HA . . 5.500 5.144 4.587 5.646 0.146 9 0 "[ . 1 . 2]" 1
1156 1 100 LYS QB 1 101 ASN HA . . 5.130 4.459 3.810 4.785 . 0 0 "[ . 1 . 2]" 1
1157 1 100 LYS QD 1 101 ASN HA . . 5.470 4.521 3.463 5.496 0.026 11 0 "[ . 1 . 2]" 1
1158 1 100 LYS QG 1 101 ASN HA . . 4.900 4.446 3.474 5.209 0.309 10 0 "[ . 1 . 2]" 1
1159 1 96 ASN HA 1 96 ASN QB . . 2.760 2.205 2.157 2.220 . 0 0 "[ . 1 . 2]" 1
1160 1 96 ASN HA 1 97 SER HA . . 4.840 4.644 4.340 4.713 . 0 0 "[ . 1 . 2]" 1
1161 1 76 ASN HA 1 90 LYS QD . . 5.500 4.940 3.093 5.502 0.002 6 0 "[ . 1 . 2]" 1
1162 1 58 LEU HA 1 63 GLY HA2 . . 5.500 5.216 5.073 5.275 . 0 0 "[ . 1 . 2]" 1
1163 1 58 LEU HB2 1 58 LEU MD1 . . 3.250 3.166 3.153 3.177 . 0 0 "[ . 1 . 2]" 1
1164 1 58 LEU HB3 1 58 LEU MD1 . . 2.840 2.159 2.128 2.193 . 0 0 "[ . 1 . 2]" 1
1165 1 58 LEU MD1 1 75 LEU HB3 . . 3.890 3.445 3.179 3.787 . 0 0 "[ . 1 . 2]" 1
1166 1 41 GLY HA3 1 68 ILE MG . . 4.440 2.976 2.578 3.372 . 0 0 "[ . 1 . 2]" 1
1167 1 28 ARG QD 1 28 ARG QG . . 2.400 2.034 1.988 2.089 . 0 0 "[ . 1 . 2]" 1
1168 1 23 SER HA 1 24 LEU QB . . 4.610 4.166 4.066 4.218 . 0 0 "[ . 1 . 2]" 1
1169 1 22 PHE HB3 1 45 ALA HA . . 4.840 4.418 4.193 4.668 . 0 0 "[ . 1 . 2]" 1
1170 1 38 LYS HA 1 38 LYS QE . . 5.500 4.376 3.578 5.415 . 0 0 "[ . 1 . 2]" 1
1171 1 38 LYS QB 1 38 LYS QE . . 3.660 2.602 1.983 3.679 0.019 6 0 "[ . 1 . 2]" 1
1172 1 38 LYS QE 1 38 LYS QG . . 2.810 2.318 2.028 2.800 . 0 0 "[ . 1 . 2]" 1
1173 1 100 LYS QE 1 100 LYS QG . . 3.000 2.245 1.958 2.731 . 0 0 "[ . 1 . 2]" 1
1174 1 90 LYS QD 1 90 LYS QE . . 2.430 2.039 1.994 2.091 . 0 0 "[ . 1 . 2]" 1
1175 1 21 LYS QE 1 22 PHE QD . . 5.500 5.318 3.887 5.511 0.011 12 0 "[ . 1 . 2]" 1
1176 1 57 TYR HB2 1 64 ARG QD . . 4.880 4.136 3.320 4.525 . 0 0 "[ . 1 . 2]" 1
1177 1 57 TYR HB3 1 64 ARG QD . . 5.270 4.016 3.121 4.863 . 0 0 "[ . 1 . 2]" 1
1178 1 16 LYS QE 1 62 TYR QE . . 4.540 3.070 2.009 4.285 . 0 0 "[ . 1 . 2]" 1
1179 1 21 LYS QE 1 21 LYS HG2 . . 3.550 2.670 2.396 3.090 . 0 0 "[ . 1 . 2]" 1
1180 1 99 ASP HA 1 99 ASP QB . . 2.610 2.357 2.180 2.475 . 0 0 "[ . 1 . 2]" 1
1181 1 99 ASP QB 1 100 LYS HA . . 5.070 4.546 4.247 5.007 . 0 0 "[ . 1 . 2]" 1
1182 1 39 VAL QG 1 68 ILE HB . . 5.500 3.290 2.384 4.364 . 0 0 "[ . 1 . 2]" 1
1183 1 54 VAL QG 1 68 ILE HB . . 5.500 4.404 3.331 5.453 . 0 0 "[ . 1 . 2]" 1
1184 1 28 ARG QB 1 96 ASN QB . . 5.500 4.404 4.090 4.782 . 0 0 "[ . 1 . 2]" 1
1185 1 28 ARG QG 1 96 ASN QB . . 5.500 4.897 3.656 5.498 . 0 0 "[ . 1 . 2]" 1
1186 1 46 GLU HA 1 46 GLU QG . . 2.930 2.435 2.190 2.626 . 0 0 "[ . 1 . 2]" 1
1187 1 45 ALA MB 1 46 GLU QG . . 4.150 3.487 2.906 4.176 0.026 18 0 "[ . 1 . 2]" 1
1188 1 15 ILE HB 1 15 ILE MD . . 3.380 2.648 2.186 3.230 . 0 0 "[ . 1 . 2]" 1
1189 1 92 GLU HB2 1 92 GLU QG . . 2.400 2.387 2.352 2.418 0.018 1 0 "[ . 1 . 2]" 1
1190 1 92 GLU HA 1 92 GLU QG . . 3.330 2.497 2.391 2.561 . 0 0 "[ . 1 . 2]" 1
1191 1 25 GLU HA 1 25 GLU QG . . 2.740 2.521 2.414 3.008 0.268 14 0 "[ . 1 . 2]" 1
1192 1 92 GLU QG 1 93 LEU HA . . 4.330 4.026 3.701 4.274 . 0 0 "[ . 1 . 2]" 1
1193 1 27 MET HB3 1 45 ALA HA . . 4.570 4.488 4.070 4.670 0.100 2 0 "[ . 1 . 2]" 1
1194 1 111 GLU HA 1 111 GLU QG . . 2.570 2.331 2.141 2.570 . 0 0 "[ . 1 . 2]" 1
1195 1 60 GLN HA 1 60 GLN QG . . 3.280 2.792 2.446 3.347 0.067 10 0 "[ . 1 . 2]" 1
1196 1 44 GLU QG 1 45 ALA HA . . 3.650 3.381 3.307 3.689 0.039 6 0 "[ . 1 . 2]" 1
1197 1 92 GLU HB3 1 93 LEU HA . . 5.500 5.067 4.945 5.156 . 0 0 "[ . 1 . 2]" 1
1198 1 16 LYS QB 1 16 LYS QD . . 2.460 2.246 1.971 2.425 . 0 0 "[ . 1 . 2]" 1
1199 1 21 LYS HB3 1 21 LYS HG2 . . 2.770 2.240 2.211 2.256 . 0 0 "[ . 1 . 2]" 1
1200 1 16 LYS QB 1 17 GLU QB . . 5.500 3.903 3.064 5.045 . 0 0 "[ . 1 . 2]" 1
1201 1 111 GLU QB 1 111 GLU QG . . 2.400 2.055 1.990 2.086 . 0 0 "[ . 1 . 2]" 1
1202 1 5 LYS QD 1 5 LYS QG . . 2.400 2.043 2.009 2.088 . 0 0 "[ . 1 . 2]" 1
1203 1 100 LYS QD 1 102 THR MG . . 3.210 2.295 1.904 3.217 0.007 10 0 "[ . 1 . 2]" 1
1204 1 16 LYS HA 1 16 LYS QD . . 3.710 2.691 1.978 3.723 0.013 20 0 "[ . 1 . 2]" 1
1205 1 21 LYS QD 1 21 LYS HG2 . . 2.530 2.295 2.238 2.491 . 0 0 "[ . 1 . 2]" 1
1206 1 43 ILE QG 1 43 ILE MG . . 2.650 2.077 1.972 2.099 . 0 0 "[ . 1 . 2]" 1
1207 1 32 ILE QG 1 71 ASP HA . . 5.500 4.687 4.059 5.209 . 0 0 "[ . 1 . 2]" 1
1208 1 94 LEU HG 1 96 ASN HA . . 5.500 4.648 3.825 5.221 . 0 0 "[ . 1 . 2]" 1
1209 1 32 ILE QG 1 32 ILE MG . . 2.620 2.161 2.049 2.370 . 0 0 "[ . 1 . 2]" 1
1210 1 79 ILE HG13 1 79 ILE MG . . 2.790 2.458 2.412 2.465 . 0 0 "[ . 1 . 2]" 1
1211 1 58 LEU HA 1 58 LEU MD2 . . 3.540 3.400 3.363 3.422 . 0 0 "[ . 1 . 2]" 1
1212 1 73 ILE MD 1 93 LEU MD1 . . 5.000 3.370 3.235 3.727 . 0 0 "[ . 1 . 2]" 1
1213 1 19 LEU HA 1 19 LEU MD2 . . 3.390 2.359 1.921 2.622 . 0 0 "[ . 1 . 2]" 1
1214 1 29 TYR HA 1 93 LEU MD1 . . 5.110 4.053 3.929 4.123 . 0 0 "[ . 1 . 2]" 1
1215 1 19 LEU HB2 1 19 LEU MD2 . . 3.260 2.463 2.180 3.180 . 0 0 "[ . 1 . 2]" 1
1216 1 24 LEU HA 1 24 LEU MD2 . . 4.320 3.765 3.119 3.964 . 0 0 "[ . 1 . 2]" 1
1217 1 24 LEU MD2 1 59 GLY HA2 . . 4.610 4.589 3.977 4.661 0.051 17 0 "[ . 1 . 2]" 1
1218 1 29 TYR HB3 1 95 LEU MD2 . . 4.910 4.644 2.877 4.911 0.001 18 0 "[ . 1 . 2]" 1
1219 1 100 LYS HA 1 100 LYS QG . . 3.700 3.274 2.212 3.433 . 0 0 "[ . 1 . 2]" 1
1220 1 95 LEU QB 1 95 LEU MD2 . . 3.200 2.065 1.985 2.094 . 0 0 "[ . 1 . 2]" 1
1221 1 73 ILE MD 1 93 LEU MD2 . . 5.000 1.910 1.800 2.062 . 0 0 "[ . 1 . 2]" 1
1222 1 99 ASP HA 1 100 LYS QG . . 5.500 4.556 3.838 5.529 0.029 10 0 "[ . 1 . 2]" 1
1223 1 24 LEU HA 1 24 LEU MD1 . . 4.320 2.382 2.071 3.485 . 0 0 "[ . 1 . 2]" 1
1224 1 24 LEU MD1 1 59 GLY HA2 . . 4.610 3.321 1.960 4.011 . 0 0 "[ . 1 . 2]" 1
1225 1 52 VAL MG1 1 56 ASN HB3 . . 3.830 2.660 2.493 3.073 . 0 0 "[ . 1 . 2]" 1
1226 1 18 THR MG 1 21 LYS QD . . 3.870 2.005 1.938 2.364 . 0 0 "[ . 1 . 2]" 1
1227 1 18 THR MG 1 22 PHE QD . . 3.720 3.560 3.317 3.739 0.019 17 0 "[ . 1 . 2]" 1
1228 1 18 THR HA 1 18 THR MG . . 2.970 2.338 2.274 2.379 . 0 0 "[ . 1 . 2]" 1
1229 1 40 SER HB3 1 51 THR MG . . 3.940 3.313 2.450 3.814 . 0 0 "[ . 1 . 2]" 1
1230 1 19 LEU HB2 1 19 LEU MD1 . . 3.260 3.072 2.427 3.187 . 0 0 "[ . 1 . 2]" 1
1231 1 51 THR HA 1 51 THR MG . . 3.130 2.149 2.032 2.221 . 0 0 "[ . 1 . 2]" 1
1232 1 40 SER HB2 1 51 THR MG . . 3.940 2.525 2.002 3.934 . 0 0 "[ . 1 . 2]" 1
1233 1 51 THR MG 1 52 VAL HB . . 5.500 5.408 5.283 5.497 . 0 0 "[ . 1 . 2]" 1
1234 1 87 VAL HA 1 87 VAL MG1 . . 2.400 2.275 2.160 2.371 . 0 0 "[ . 1 . 2]" 1
1235 1 44 GLU HA 1 49 VAL QG . . 3.340 3.279 3.136 3.356 0.016 8 0 "[ . 1 . 2]" 1
1236 1 44 GLU HB3 1 49 VAL QG . . 3.410 3.476 3.425 3.516 0.106 7 0 "[ . 1 . 2]" 1
1237 1 44 GLU HB2 1 49 VAL QG . . 2.890 1.965 1.957 1.980 . 0 0 "[ . 1 . 2]" 1
1238 1 39 VAL QG 1 68 ILE HA . . 5.500 4.867 4.180 5.523 0.023 11 0 "[ . 1 . 2]" 1
1239 1 85 ASN QB 1 87 VAL MG1 . . 4.540 4.490 4.345 4.553 0.013 3 0 "[ . 1 . 2]" 1
1240 1 27 MET HA 1 45 ALA MB . . 4.070 2.894 2.600 3.261 . 0 0 "[ . 1 . 2]" 1
1241 1 45 ALA MB 1 50 TYR QD . . 3.620 3.544 3.464 3.673 0.053 6 0 "[ . 1 . 2]" 1
1242 1 43 ILE MD 1 52 VAL HB . . 5.500 4.252 4.084 4.534 . 0 0 "[ . 1 . 2]" 1
1243 1 65 ILE HA 1 65 ILE MG . . 3.640 3.201 3.195 3.203 . 0 0 "[ . 1 . 2]" 1
1244 1 43 ILE HB 1 43 ILE MD . . 3.220 2.144 2.087 2.190 . 0 0 "[ . 1 . 2]" 1
1245 1 43 ILE MD 1 43 ILE MG . . 3.250 3.179 3.136 3.211 . 0 0 "[ . 1 . 2]" 1
1246 1 43 ILE HA 1 43 ILE MG . . 3.340 2.411 2.333 2.448 . 0 0 "[ . 1 . 2]" 1
1247 1 43 ILE MG 1 73 ILE MD . . 5.050 4.115 3.982 4.356 . 0 0 "[ . 1 . 2]" 1
1248 1 15 ILE HA 1 15 ILE MG . . 3.140 2.128 2.015 2.342 . 0 0 "[ . 1 . 2]" 1
1249 1 41 GLY HA2 1 68 ILE MG . . 4.440 2.498 2.145 3.066 . 0 0 "[ . 1 . 2]" 1
1250 1 68 ILE MG 1 73 ILE HA . . 4.120 3.523 2.818 3.889 . 0 0 "[ . 1 . 2]" 1
1251 1 68 ILE HA 1 68 ILE MG . . 3.510 2.228 2.037 2.306 . 0 0 "[ . 1 . 2]" 1
1252 1 39 VAL QG 1 68 ILE MG . . 3.000 2.594 2.289 2.958 . 0 0 "[ . 1 . 2]" 1
1253 1 73 ILE MD 1 93 LEU HG . . 4.210 2.801 2.693 3.081 . 0 0 "[ . 1 . 2]" 1
1254 1 43 ILE MD 1 73 ILE MD . . 2.640 2.253 1.935 2.444 . 0 0 "[ . 1 . 2]" 1
1255 1 73 ILE MD 1 73 ILE MG . . 2.820 1.944 1.889 2.020 . 0 0 "[ . 1 . 2]" 1
1256 1 73 ILE MD 1 93 LEU HB3 . . 5.450 4.093 3.872 4.290 . 0 0 "[ . 1 . 2]" 1
1257 1 40 SER HA 1 68 ILE MD . . 4.090 3.675 3.288 4.109 0.019 9 0 "[ . 1 . 2]" 1
1258 1 67 SER HA 1 68 ILE MD . . 4.560 2.730 2.592 3.050 . 0 0 "[ . 1 . 2]" 1
1259 1 79 ILE HA 1 79 ILE MD . . 3.700 3.534 3.528 3.540 . 0 0 "[ . 1 . 2]" 1
1260 1 77 GLU QG 1 79 ILE MD . . 3.490 3.376 3.173 3.558 0.068 20 0 "[ . 1 . 2]" 1
1261 1 79 ILE HB 1 79 ILE MD . . 2.900 2.330 2.324 2.335 . 0 0 "[ . 1 . 2]" 1
1262 1 15 ILE HA 1 15 ILE MD . . 3.610 3.414 2.281 3.691 0.081 12 0 "[ . 1 . 2]" 1
1263 1 4 LYS H 1 4 LYS QB . . 2.850 2.593 2.342 2.855 0.005 9 0 "[ . 1 . 2]" 1
1264 1 4 LYS QB 1 4 LYS QG . . 2.420 2.046 2.005 2.087 . 0 0 "[ . 1 . 2]" 1
1265 1 7 GLU H 1 7 GLU QB . . 2.560 2.502 2.266 2.576 0.016 13 0 "[ . 1 . 2]" 1
1266 1 7 GLU QB 1 7 GLU QG . . 2.310 2.053 2.010 2.086 . 0 0 "[ . 1 . 2]" 1
1267 1 7 GLU QB 1 8 ASN H . . 2.900 2.346 2.018 2.889 . 0 0 "[ . 1 . 2]" 1
1268 1 7 GLU QB 1 9 ALA H . . 5.340 4.104 2.512 4.854 . 0 0 "[ . 1 . 2]" 1
1269 1 8 ASN H 1 8 ASN QB . . 3.000 2.374 2.217 3.028 0.028 12 0 "[ . 1 . 2]" 1
1270 1 8 ASN HA 1 8 ASN QB . . 2.420 2.396 2.170 2.470 0.050 9 0 "[ . 1 . 2]" 1
1271 1 15 ILE H 1 15 ILE QG . . 2.650 2.309 1.812 2.794 0.144 15 0 "[ . 1 . 2]" 1
1272 1 15 ILE QG 1 15 ILE MG . . 2.710 2.186 1.941 2.487 . 0 0 "[ . 1 . 2]" 1
1273 1 17 GLU HA 1 17 GLU QG . . 3.430 2.494 2.023 3.360 . 0 0 "[ . 1 . 2]" 1
1274 1 17 GLU QB 1 19 LEU QD . . 3.600 3.138 2.782 3.601 0.001 15 0 "[ . 1 . 2]" 1
1275 1 17 GLU QG 1 18 THR H . . 3.430 2.494 1.933 3.504 0.074 17 0 "[ . 1 . 2]" 1
1276 1 17 GLU QG 1 19 LEU H . . 4.770 3.554 2.503 4.313 . 0 0 "[ . 1 . 2]" 1
1277 1 18 THR HB 1 19 LEU QD . . 5.440 3.035 2.853 3.623 . 0 0 "[ . 1 . 2]" 1
1278 1 19 LEU H 1 19 LEU QD . . 3.310 2.230 1.958 2.937 . 0 0 "[ . 1 . 2]" 1
1279 1 19 LEU HA 1 19 LEU QD . . 2.600 1.901 1.861 1.966 . 0 0 "[ . 1 . 2]" 1
1280 1 19 LEU HB2 1 19 LEU QD . . 2.510 2.294 2.144 2.383 . 0 0 "[ . 1 . 2]" 1
1281 1 19 LEU HB3 1 19 LEU QD . . 2.950 2.265 2.020 2.321 . 0 0 "[ . 1 . 2]" 1
1282 1 19 LEU QD 1 20 GLU H . . 5.420 3.979 3.888 4.244 . 0 0 "[ . 1 . 2]" 1
1283 1 19 LEU QD 1 22 PHE H . . 4.720 4.373 3.825 4.729 0.009 15 0 "[ . 1 . 2]" 1
1284 1 19 LEU QD 1 22 PHE HB3 . . 4.280 3.731 3.152 4.147 . 0 0 "[ . 1 . 2]" 1
1285 1 19 LEU QD 1 22 PHE QD . . 3.270 3.141 2.889 3.288 0.018 4 0 "[ . 1 . 2]" 1
1286 1 19 LEU QD 1 27 MET HA . . 5.440 5.152 4.933 5.478 0.038 4 0 "[ . 1 . 2]" 1
1287 1 19 LEU QD 1 27 MET QG . . 4.990 4.013 3.705 4.414 . 0 0 "[ . 1 . 2]" 1
1288 1 19 LEU QD 1 27 MET ME . . 3.180 1.910 1.802 2.379 . 0 0 "[ . 1 . 2]" 1
1289 1 19 LEU QD 1 43 ILE MG . . 4.580 4.085 3.913 4.338 . 0 0 "[ . 1 . 2]" 1
1290 1 19 LEU QD 1 45 ALA H . . 4.050 3.808 3.629 4.075 0.025 15 0 "[ . 1 . 2]" 1
1291 1 19 LEU QD 1 45 ALA MB . . 3.800 2.328 2.028 2.729 . 0 0 "[ . 1 . 2]" 1
1292 1 19 LEU QD 1 48 TYR QD . . 3.730 2.770 2.624 2.885 . 0 0 "[ . 1 . 2]" 1
1293 1 19 LEU QD 1 48 TYR QE . . 3.030 2.633 2.456 3.019 . 0 0 "[ . 1 . 2]" 1
1294 1 19 LEU QD 1 49 VAL HA . . 5.440 4.916 4.713 5.047 . 0 0 "[ . 1 . 2]" 1
1295 1 19 LEU QD 1 50 TYR H . . 4.240 4.107 3.889 4.329 0.089 17 0 "[ . 1 . 2]" 1
1296 1 19 LEU QD 1 50 TYR HA . . 5.440 4.373 4.124 4.588 . 0 0 "[ . 1 . 2]" 1
1297 1 19 LEU QD 1 50 TYR HB2 . . 3.180 3.026 2.791 3.257 0.077 17 0 "[ . 1 . 2]" 1
1298 1 19 LEU QD 1 50 TYR HB3 . . 4.310 2.339 2.006 2.745 . 0 0 "[ . 1 . 2]" 1
1299 1 19 LEU QD 1 50 TYR QD . . 2.860 2.528 2.372 2.867 0.007 17 0 "[ . 1 . 2]" 1
1300 1 19 LEU QD 1 50 TYR QE . . 4.190 2.585 2.423 2.872 . 0 0 "[ . 1 . 2]" 1
1301 1 19 LEU QD 1 57 TYR QE . . 4.990 3.440 2.942 3.744 . 0 0 "[ . 1 . 2]" 1
1302 1 19 LEU QD 1 59 GLY H . . 4.440 3.884 3.440 4.448 0.008 17 0 "[ . 1 . 2]" 1
1303 1 20 GLU H 1 20 GLU QB . . 2.530 2.327 2.256 2.497 . 0 0 "[ . 1 . 2]" 1
1304 1 20 GLU QB 1 21 LYS H . . 3.900 3.320 2.674 3.651 . 0 0 "[ . 1 . 2]" 1
1305 1 20 GLU QB 1 21 LYS QD . . 5.260 4.759 3.619 5.286 0.026 11 0 "[ . 1 . 2]" 1
1306 1 20 GLU QB 1 21 LYS QE . . 5.340 4.144 3.111 5.379 0.039 6 0 "[ . 1 . 2]" 1
1307 1 22 PHE QD 1 46 GLU QB . . 3.350 1.975 1.925 2.051 . 0 0 "[ . 1 . 2]" 1
1308 1 22 PHE QE 1 46 GLU QB . . 3.820 2.218 1.989 2.587 . 0 0 "[ . 1 . 2]" 1
1309 1 24 LEU H 1 60 GLN QB . . 2.610 2.346 1.965 2.682 0.072 15 0 "[ . 1 . 2]" 1
1310 1 24 LEU HA 1 24 LEU QD . . 3.420 2.292 2.063 2.979 . 0 0 "[ . 1 . 2]" 1
1311 1 24 LEU QB 1 24 LEU QD . . 2.440 1.906 1.798 1.962 . 0 0 "[ . 1 . 2]" 1
1312 1 24 LEU QD 1 25 GLU H . . 4.300 3.802 3.626 4.058 . 0 0 "[ . 1 . 2]" 1
1313 1 24 LEU QD 1 27 MET H . . 4.280 3.813 3.469 4.325 0.045 2 0 "[ . 1 . 2]" 1
1314 1 24 LEU QD 1 27 MET HA . . 5.440 4.950 4.562 5.513 0.073 7 0 "[ . 1 . 2]" 1
1315 1 24 LEU QD 1 59 GLY HA2 . . 3.770 3.212 1.955 3.784 0.014 18 0 "[ . 1 . 2]" 1
1316 1 24 LEU QD 1 60 GLN H . . 4.720 3.128 1.914 3.838 . 0 0 "[ . 1 . 2]" 1
1317 1 28 ARG HA 1 96 ASN QD . . 5.340 3.501 3.342 3.615 . 0 0 "[ . 1 . 2]" 1
1318 1 28 ARG QB 1 30 VAL QG . . 5.020 3.792 3.474 4.293 . 0 0 "[ . 1 . 2]" 1
1319 1 28 ARG QB 1 96 ASN QD . . 3.590 2.747 2.051 3.238 . 0 0 "[ . 1 . 2]" 1
1320 1 28 ARG QD 1 96 ASN QD . . 4.390 3.569 1.939 4.418 0.028 1 0 "[ . 1 . 2]" 1
1321 1 29 TYR H 1 93 LEU QD . . 3.170 2.572 2.461 2.626 . 0 0 "[ . 1 . 2]" 1
1322 1 29 TYR H 1 95 LEU QD . . 5.100 4.436 4.242 4.590 . 0 0 "[ . 1 . 2]" 1
1323 1 29 TYR HA 1 95 LEU QD . . 4.650 3.967 3.708 4.191 . 0 0 "[ . 1 . 2]" 1
1324 1 29 TYR HA 1 96 ASN QD . . 5.340 3.915 3.733 4.005 . 0 0 "[ . 1 . 2]" 1
1325 1 29 TYR HB2 1 95 LEU QD . . 3.940 3.681 3.298 3.961 0.021 20 0 "[ . 1 . 2]" 1
1326 1 29 TYR HB3 1 93 LEU QD . . 4.900 2.695 2.467 3.054 . 0 0 "[ . 1 . 2]" 1
1327 1 29 TYR HB3 1 95 LEU QD . . 3.530 2.258 1.906 2.462 . 0 0 "[ . 1 . 2]" 1
1328 1 29 TYR QD 1 31 GLY QA . . 5.340 4.362 4.133 4.461 . 0 0 "[ . 1 . 2]" 1
1329 1 29 TYR QD 1 41 GLY QA . . 4.950 4.371 4.312 4.515 . 0 0 "[ . 1 . 2]" 1
1330 1 29 TYR QD 1 72 SER QB . . 5.340 5.313 5.140 5.430 0.090 9 0 "[ . 1 . 2]" 1
1331 1 29 TYR QD 1 93 LEU QD . . 2.640 2.330 2.014 2.615 . 0 0 "[ . 1 . 2]" 1
1332 1 29 TYR QD 1 95 LEU QD . . 3.450 2.848 2.493 3.046 . 0 0 "[ . 1 . 2]" 1
1333 1 29 TYR QD 1 96 ASN QD . . 4.890 4.155 4.029 4.265 . 0 0 "[ . 1 . 2]" 1
1334 1 29 TYR QE 1 31 GLY QA . . 5.090 4.160 3.978 4.411 . 0 0 "[ . 1 . 2]" 1
1335 1 29 TYR QE 1 41 GLY QA . . 2.840 2.434 2.356 2.546 . 0 0 "[ . 1 . 2]" 1
1336 1 29 TYR QE 1 71 ASP QB . . 5.340 4.610 4.063 5.029 . 0 0 "[ . 1 . 2]" 1
1337 1 29 TYR QE 1 72 SER QB . . 5.120 4.618 4.411 4.732 . 0 0 "[ . 1 . 2]" 1
1338 1 29 TYR QE 1 93 LEU QD . . 4.170 3.861 3.615 4.014 . 0 0 "[ . 1 . 2]" 1
1339 1 29 TYR QE 1 95 LEU QD . . 3.810 3.484 2.517 3.705 . 0 0 "[ . 1 . 2]" 1
1340 1 30 VAL H 1 30 VAL QG . . 2.410 1.832 1.814 1.856 . 0 0 "[ . 1 . 2]" 1
1341 1 30 VAL H 1 95 LEU QD . . 4.310 3.820 3.497 4.049 . 0 0 "[ . 1 . 2]" 1
1342 1 30 VAL HA 1 30 VAL QG . . 2.580 2.180 2.145 2.212 . 0 0 "[ . 1 . 2]" 1
1343 1 30 VAL HA 1 95 LEU QD . . 3.760 3.274 2.887 3.743 . 0 0 "[ . 1 . 2]" 1
1344 1 30 VAL QG 1 31 GLY H . . 2.870 1.890 1.870 1.909 . 0 0 "[ . 1 . 2]" 1
1345 1 30 VAL QG 1 42 PHE HA . . 4.610 3.867 3.750 3.994 . 0 0 "[ . 1 . 2]" 1
1346 1 30 VAL QG 1 42 PHE QB . . 3.040 2.085 1.945 2.318 . 0 0 "[ . 1 . 2]" 1
1347 1 30 VAL QG 1 42 PHE QD . . 2.800 2.443 2.276 2.558 . 0 0 "[ . 1 . 2]" 1
1348 1 30 VAL QG 1 43 ILE HA . . 3.200 2.313 2.233 2.354 . 0 0 "[ . 1 . 2]" 1
1349 1 30 VAL QG 1 44 GLU H . . 2.540 2.529 2.402 2.587 0.047 20 0 "[ . 1 . 2]" 1
1350 1 30 VAL QG 1 44 GLU HA . . 4.370 3.618 3.468 3.678 . 0 0 "[ . 1 . 2]" 1
1351 1 30 VAL QG 1 44 GLU HB2 . . 3.210 2.494 2.358 2.580 . 0 0 "[ . 1 . 2]" 1
1352 1 30 VAL QG 1 96 ASN QD . . 5.270 4.406 4.179 4.495 . 0 0 "[ . 1 . 2]" 1
1353 1 31 GLY H 1 95 LEU QD . . 3.840 3.484 2.967 3.765 . 0 0 "[ . 1 . 2]" 1
1354 1 31 GLY QA 1 32 ILE H . . 2.380 2.224 2.186 2.254 . 0 0 "[ . 1 . 2]" 1
1355 1 31 GLY QA 1 32 ILE QG . . 5.340 3.083 2.925 3.202 . 0 0 "[ . 1 . 2]" 1
1356 1 31 GLY QA 1 42 PHE H . . 5.340 4.226 4.173 4.290 . 0 0 "[ . 1 . 2]" 1
1357 1 31 GLY QA 1 95 LEU QD . . 4.800 2.390 1.898 2.857 . 0 0 "[ . 1 . 2]" 1
1358 1 32 ILE H 1 95 LEU QD . . 5.100 4.285 3.924 4.659 . 0 0 "[ . 1 . 2]" 1
1359 1 32 ILE MG 1 40 SER QB . . 5.340 4.488 4.081 5.001 . 0 0 "[ . 1 . 2]" 1
1360 1 32 ILE MG 1 41 GLY QA . . 4.070 1.941 1.870 2.141 . 0 0 "[ . 1 . 2]" 1
1361 1 32 ILE QG 1 95 LEU QD . . 3.940 3.440 2.834 3.877 . 0 0 "[ . 1 . 2]" 1
1362 1 32 ILE MD 1 95 LEU QD . . 5.210 4.004 2.778 4.552 . 0 0 "[ . 1 . 2]" 1
1363 1 33 LEU H 1 40 SER QB . . 5.030 3.556 3.058 4.134 . 0 0 "[ . 1 . 2]" 1
1364 1 33 LEU H 1 41 GLY QA . . 5.340 3.812 3.292 4.099 . 0 0 "[ . 1 . 2]" 1
1365 1 33 LEU QD 1 34 LYS H . . 3.260 2.533 2.071 3.232 . 0 0 "[ . 1 . 2]" 1
1366 1 33 LEU QD 1 42 PHE QD . . 5.230 2.622 2.075 3.599 . 0 0 "[ . 1 . 2]" 1
1367 1 33 LEU QD 1 42 PHE QE . . 4.890 2.793 1.920 3.986 . 0 0 "[ . 1 . 2]" 1
1368 1 33 LEU QD 1 51 THR HB . . 5.440 4.109 2.939 5.464 0.024 13 0 "[ . 1 . 2]" 1
1369 1 34 LYS H 1 34 LYS QB . . 2.640 2.486 2.226 2.662 0.022 16 0 "[ . 1 . 2]" 1
1370 1 34 LYS QB 1 35 SER H . . 2.870 2.779 2.515 2.884 0.014 8 0 "[ . 1 . 2]" 1
1371 1 36 GLY QA 1 38 LYS H . . 4.300 3.954 3.391 4.255 . 0 0 "[ . 1 . 2]" 1
1372 1 37 GLN HA 1 37 GLN QB . . 2.520 2.364 2.172 2.484 . 0 0 "[ . 1 . 2]" 1
1373 1 37 GLN QB 1 38 LYS H . . 3.930 3.866 3.652 4.047 0.117 6 0 "[ . 1 . 2]" 1
1374 1 39 VAL QG 1 40 SER QB . . 5.340 4.198 3.963 4.486 . 0 0 "[ . 1 . 2]" 1
1375 1 40 SER HA 1 53 GLY QA . . 4.250 2.675 2.331 2.890 . 0 0 "[ . 1 . 2]" 1
1376 1 40 SER QB 1 41 GLY H . . 3.270 2.940 2.481 3.333 0.063 2 0 "[ . 1 . 2]" 1
1377 1 40 SER QB 1 51 THR MG . . 3.460 2.335 1.969 3.305 . 0 0 "[ . 1 . 2]" 1
1378 1 40 SER QB 1 52 VAL H . . 5.000 3.481 3.061 4.599 . 0 0 "[ . 1 . 2]" 1
1379 1 41 GLY H 1 53 GLY QA . . 3.680 2.998 2.879 3.231 . 0 0 "[ . 1 . 2]" 1
1380 1 41 GLY QA 1 42 PHE H . . 2.580 2.114 2.110 2.150 . 0 0 "[ . 1 . 2]" 1
1381 1 41 GLY QA 1 68 ILE MG . . 3.710 2.374 2.049 2.840 . 0 0 "[ . 1 . 2]" 1
1382 1 41 GLY QA 1 73 ILE MD . . 4.400 2.777 2.372 3.028 . 0 0 "[ . 1 . 2]" 1
1383 1 42 PHE H 1 95 LEU QD . . 5.440 5.212 4.648 5.457 0.017 19 0 "[ . 1 . 2]" 1
1384 1 42 PHE HA 1 52 VAL QG . . 4.270 3.754 3.656 3.921 . 0 0 "[ . 1 . 2]" 1
1385 1 42 PHE QD 1 52 VAL QG . . 5.440 5.024 4.918 5.113 . 0 0 "[ . 1 . 2]" 1
1386 1 43 ILE H 1 52 VAL QG . . 4.450 3.452 3.376 3.594 . 0 0 "[ . 1 . 2]" 1
1387 1 43 ILE HB 1 52 VAL QG . . 3.760 3.348 3.222 3.500 . 0 0 "[ . 1 . 2]" 1
1388 1 46 GLU H 1 46 GLU QB . . 3.580 3.251 3.093 3.354 . 0 0 "[ . 1 . 2]" 1
1389 1 46 GLU QB 1 47 GLY H . . 4.240 3.908 3.899 3.916 . 0 0 "[ . 1 . 2]" 1
1390 1 46 GLU QB 1 48 TYR H . . 4.640 3.561 3.378 3.717 . 0 0 "[ . 1 . 2]" 1
1391 1 51 THR HA 1 52 VAL QG . . 3.500 3.144 3.092 3.209 . 0 0 "[ . 1 . 2]" 1
1392 1 52 VAL H 1 52 VAL QG . . 2.730 2.219 2.158 2.287 . 0 0 "[ . 1 . 2]" 1
1393 1 52 VAL H 1 53 GLY QA . . 5.340 4.466 4.418 4.492 . 0 0 "[ . 1 . 2]" 1
1394 1 52 VAL HB 1 53 GLY QA . . 5.340 4.090 3.930 4.267 . 0 0 "[ . 1 . 2]" 1
1395 1 52 VAL QG 1 53 GLY H . . 3.310 3.295 3.068 3.359 0.049 10 0 "[ . 1 . 2]" 1
1396 1 52 VAL QG 1 53 GLY QA . . 5.280 3.590 3.425 3.661 . 0 0 "[ . 1 . 2]" 1
1397 1 52 VAL QG 1 56 ASN H . . 4.790 4.673 4.610 4.766 . 0 0 "[ . 1 . 2]" 1
1398 1 52 VAL QG 1 56 ASN HD21 . . 5.440 4.408 4.212 4.819 . 0 0 "[ . 1 . 2]" 1
1399 1 52 VAL QG 1 57 TYR H . . 4.270 3.183 3.029 3.728 . 0 0 "[ . 1 . 2]" 1
1400 1 52 VAL QG 1 57 TYR HA . . 5.440 4.340 4.288 4.481 . 0 0 "[ . 1 . 2]" 1
1401 1 52 VAL QG 1 57 TYR QD . . 4.830 3.222 3.083 3.787 . 0 0 "[ . 1 . 2]" 1
1402 1 52 VAL QG 1 57 TYR QE . . 4.930 3.792 3.648 4.212 . 0 0 "[ . 1 . 2]" 1
1403 1 52 VAL QG 1 65 ILE HB . . 4.210 2.917 2.687 3.253 . 0 0 "[ . 1 . 2]" 1
1404 1 52 VAL QG 1 73 ILE MD . . 4.700 3.475 3.256 3.661 . 0 0 "[ . 1 . 2]" 1
1405 1 53 GLY QA 1 56 ASN HD21 . . 4.590 4.239 4.036 4.364 . 0 0 "[ . 1 . 2]" 1
1406 1 53 GLY QA 1 65 ILE MG . . 5.180 3.387 3.174 3.444 . 0 0 "[ . 1 . 2]" 1
1407 1 53 GLY QA 1 68 ILE MD . . 5.340 2.665 2.187 3.216 . 0 0 "[ . 1 . 2]" 1
1408 1 60 GLN H 1 60 GLN QB . . 2.980 2.441 2.266 3.066 0.086 10 0 "[ . 1 . 2]" 1
1409 1 60 GLN QB 1 61 ASN H . . 4.120 2.239 1.959 3.377 . 0 0 "[ . 1 . 2]" 1
1410 1 61 ASN H 1 61 ASN QB . . 3.480 2.192 2.130 2.223 . 0 0 "[ . 1 . 2]" 1
1411 1 61 ASN QB 1 61 ASN HD21 . . 3.080 2.103 2.093 2.133 . 0 0 "[ . 1 . 2]" 1
1412 1 61 ASN QB 1 62 TYR H . . 2.780 1.889 1.864 1.912 . 0 0 "[ . 1 . 2]" 1
1413 1 61 ASN QB 1 62 TYR QE . . 5.340 3.397 3.096 3.640 . 0 0 "[ . 1 . 2]" 1
1414 1 62 TYR H 1 78 LEU QD . . 5.440 4.733 4.585 4.829 . 0 0 "[ . 1 . 2]" 1
1415 1 62 TYR QB 1 63 GLY H . . 4.470 3.797 3.751 3.873 . 0 0 "[ . 1 . 2]" 1
1416 1 62 TYR QB 1 78 LEU H . . 4.380 3.281 3.150 3.509 . 0 0 "[ . 1 . 2]" 1
1417 1 62 TYR QB 1 78 LEU HG . . 4.790 4.048 3.190 4.523 . 0 0 "[ . 1 . 2]" 1
1418 1 62 TYR QB 1 78 LEU QD . . 4.400 2.990 2.746 3.468 . 0 0 "[ . 1 . 2]" 1
1419 1 62 TYR QD 1 78 LEU QD . . 3.810 3.602 3.370 3.845 0.035 17 0 "[ . 1 . 2]" 1
1420 1 63 GLY H 1 75 LEU QD . . 5.440 5.034 4.709 5.477 0.037 17 0 "[ . 1 . 2]" 1
1421 1 63 GLY HA3 1 75 LEU QD . . 4.630 3.439 2.897 4.436 . 0 0 "[ . 1 . 2]" 1
1422 1 63 GLY HA2 1 75 LEU QD . . 3.980 3.114 2.783 3.636 . 0 0 "[ . 1 . 2]" 1
1423 1 64 ARG H 1 75 LEU QD . . 4.500 3.067 2.434 4.187 . 0 0 "[ . 1 . 2]" 1
1424 1 64 ARG H 1 78 LEU QD . . 4.540 4.106 3.575 4.429 . 0 0 "[ . 1 . 2]" 1
1425 1 65 ILE HA 1 66 GLU QB . . 5.010 4.170 4.089 4.300 . 0 0 "[ . 1 . 2]" 1
1426 1 65 ILE QG 1 66 GLU H . . 4.650 2.342 2.068 2.722 . 0 0 "[ . 1 . 2]" 1
1427 1 65 ILE QG 1 66 GLU QB . . 4.670 4.279 4.148 4.460 . 0 0 "[ . 1 . 2]" 1
1428 1 66 GLU H 1 66 GLU QB . . 2.830 2.457 2.223 2.545 . 0 0 "[ . 1 . 2]" 1
1429 1 66 GLU H 1 74 VAL QG . . 4.440 4.102 3.749 4.284 . 0 0 "[ . 1 . 2]" 1
1430 1 66 GLU QB 1 66 GLU QG . . 2.420 2.031 1.997 2.086 . 0 0 "[ . 1 . 2]" 1
1431 1 66 GLU QB 1 67 SER H . . 2.770 2.457 2.222 2.700 . 0 0 "[ . 1 . 2]" 1
1432 1 66 GLU QB 1 67 SER QB . . 5.340 3.757 3.308 4.163 . 0 0 "[ . 1 . 2]" 1
1433 1 66 GLU QB 1 74 VAL QG . . 4.550 3.463 2.545 3.760 . 0 0 "[ . 1 . 2]" 1
1434 1 66 GLU QB 1 76 ASN H . . 5.340 4.942 4.746 5.262 . 0 0 "[ . 1 . 2]" 1
1435 1 67 SER H 1 74 VAL QG . . 3.420 3.371 3.073 3.461 0.041 18 0 "[ . 1 . 2]" 1
1436 1 67 SER QB 1 74 VAL QG . . 3.660 2.346 1.976 3.360 . 0 0 "[ . 1 . 2]" 1
1437 1 69 THR H 1 72 SER QB . . 5.340 4.227 3.903 4.710 . 0 0 "[ . 1 . 2]" 1
1438 1 69 THR H 1 74 VAL QG . . 5.440 4.669 4.547 4.940 . 0 0 "[ . 1 . 2]" 1
1439 1 70 ASP H 1 70 ASP QB . . 2.520 2.210 2.137 2.261 . 0 0 "[ . 1 . 2]" 1
1440 1 71 ASP HA 1 95 LEU QD . . 4.520 2.442 2.122 2.626 . 0 0 "[ . 1 . 2]" 1
1441 1 71 ASP QB 1 72 SER H . . 3.990 3.791 3.698 3.996 0.006 16 0 "[ . 1 . 2]" 1
1442 1 72 SER H 1 72 SER QB . . 3.540 3.319 2.846 3.409 . 0 0 "[ . 1 . 2]" 1
1443 1 72 SER H 1 95 LEU QD . . 5.440 4.609 4.013 4.766 . 0 0 "[ . 1 . 2]" 1
1444 1 72 SER HA 1 95 LEU QD . . 5.440 5.344 4.779 5.481 0.041 10 0 "[ . 1 . 2]" 1
1445 1 72 SER QB 1 73 ILE H . . 3.290 2.975 2.632 3.292 0.002 7 0 "[ . 1 . 2]" 1
1446 1 72 SER QB 1 74 VAL QG . . 5.280 3.963 3.808 4.629 . 0 0 "[ . 1 . 2]" 1
1447 1 72 SER QB 1 92 GLU QG . . 5.130 2.802 2.605 3.518 . 0 0 "[ . 1 . 2]" 1
1448 1 72 SER QB 1 93 LEU H . . 5.090 5.096 4.738 5.208 0.118 8 0 "[ . 1 . 2]" 1
1449 1 72 SER QB 1 93 LEU QD . . 5.280 4.978 4.719 5.092 . 0 0 "[ . 1 . 2]" 1
1450 1 72 SER QB 1 94 LEU H . . 5.340 5.239 4.978 5.369 0.029 17 0 "[ . 1 . 2]" 1
1451 1 72 SER QB 1 95 LEU H . . 4.500 4.022 3.771 4.160 . 0 0 "[ . 1 . 2]" 1
1452 1 73 ILE H 1 74 VAL QG . . 4.500 4.009 3.859 4.243 . 0 0 "[ . 1 . 2]" 1
1453 1 73 ILE H 1 93 LEU QD . . 3.830 3.884 3.712 3.954 0.124 9 0 "[ . 1 . 2]" 1
1454 1 73 ILE QG 1 95 LEU QD . . 5.440 4.951 4.281 5.197 . 0 0 "[ . 1 . 2]" 1
1455 1 73 ILE MD 1 93 LEU QD . . 3.990 1.900 1.795 2.052 . 0 0 "[ . 1 . 2]" 1
1456 1 74 VAL H 1 74 VAL QG . . 2.820 2.605 2.487 2.718 . 0 0 "[ . 1 . 2]" 1
1457 1 74 VAL HA 1 75 LEU QD . . 3.800 3.135 3.047 3.329 . 0 0 "[ . 1 . 2]" 1
1458 1 74 VAL QG 1 75 LEU H . . 2.920 2.675 2.548 2.924 0.004 12 0 "[ . 1 . 2]" 1
1459 1 74 VAL QG 1 75 LEU HA . . 3.860 3.551 3.459 3.691 . 0 0 "[ . 1 . 2]" 1
1460 1 74 VAL QG 1 90 LYS QG . . 2.620 2.449 2.246 2.638 0.018 12 0 "[ . 1 . 2]" 1
1461 1 74 VAL QG 1 90 LYS QE . . 3.410 3.232 2.833 3.406 . 0 0 "[ . 1 . 2]" 1
1462 1 74 VAL QG 1 92 GLU H . . 5.290 3.946 3.712 4.623 . 0 0 "[ . 1 . 2]" 1
1463 1 74 VAL QG 1 92 GLU HA . . 3.420 2.835 2.590 3.289 . 0 0 "[ . 1 . 2]" 1
1464 1 74 VAL QG 1 92 GLU HB2 . . 2.820 1.919 1.860 2.583 . 0 0 "[ . 1 . 2]" 1
1465 1 74 VAL QG 1 92 GLU QG . . 2.410 2.075 1.972 2.388 . 0 0 "[ . 1 . 2]" 1
1466 1 75 LEU H 1 75 LEU QD . . 3.250 1.831 1.800 1.858 . 0 0 "[ . 1 . 2]" 1
1467 1 75 LEU H 1 90 LYS QG . . 4.800 3.967 3.648 4.296 . 0 0 "[ . 1 . 2]" 1
1468 1 75 LEU QD 1 76 ASN H . . 4.140 2.763 2.330 3.542 . 0 0 "[ . 1 . 2]" 1
1469 1 75 LEU QD 1 77 GLU H . . 4.810 2.826 2.336 3.702 . 0 0 "[ . 1 . 2]" 1
1470 1 75 LEU QD 1 91 ALA H . . 3.960 2.768 2.647 2.871 . 0 0 "[ . 1 . 2]" 1
1471 1 75 LEU QD 1 91 ALA MB . . 3.190 2.828 2.230 3.189 . 0 0 "[ . 1 . 2]" 1
1472 1 75 LEU QD 1 92 GLU H . . 5.440 4.582 4.167 4.853 . 0 0 "[ . 1 . 2]" 1
1473 1 75 LEU QD 1 92 GLU HA . . 3.870 3.412 3.223 3.680 . 0 0 "[ . 1 . 2]" 1
1474 1 75 LEU QD 1 93 LEU H . . 4.450 3.463 3.235 3.760 . 0 0 "[ . 1 . 2]" 1
1475 1 76 ASN H 1 76 ASN QB . . 2.990 2.645 2.272 3.114 0.124 12 0 "[ . 1 . 2]" 1
1476 1 76 ASN HA 1 89 ARG QB . . 5.340 4.653 4.422 4.861 . 0 0 "[ . 1 . 2]" 1
1477 1 76 ASN QB 1 77 GLU H . . 4.090 3.736 3.506 3.950 . 0 0 "[ . 1 . 2]" 1
1478 1 76 ASN QB 1 78 LEU QD . . 4.280 3.125 2.528 3.815 . 0 0 "[ . 1 . 2]" 1
1479 1 76 ASN QB 1 90 LYS QD . . 5.340 4.330 1.969 5.346 0.006 3 0 "[ . 1 . 2]" 1
1480 1 77 GLU H 1 77 GLU QB . . 3.370 2.160 2.145 2.227 . 0 0 "[ . 1 . 2]" 1
1481 1 77 GLU H 1 78 LEU QD . . 4.660 4.303 3.853 4.574 . 0 0 "[ . 1 . 2]" 1
1482 1 77 GLU H 1 89 ARG QB . . 4.410 3.534 3.288 3.733 . 0 0 "[ . 1 . 2]" 1
1483 1 77 GLU QB 1 78 LEU QD . . 4.850 4.696 4.198 4.924 0.074 16 0 "[ . 1 . 2]" 1
1484 1 77 GLU QB 1 79 ILE MD . . 5.340 4.832 4.610 4.996 . 0 0 "[ . 1 . 2]" 1
1485 1 77 GLU QB 1 89 ARG H . . 4.850 4.193 4.033 4.339 . 0 0 "[ . 1 . 2]" 1
1486 1 78 LEU H 1 78 LEU QD . . 3.340 2.953 2.477 3.245 . 0 0 "[ . 1 . 2]" 1
1487 1 78 LEU HA 1 78 LEU QD . . 3.660 2.444 1.896 2.753 . 0 0 "[ . 1 . 2]" 1
1488 1 78 LEU QD 1 79 ILE H . . 4.480 3.623 2.656 3.993 . 0 0 "[ . 1 . 2]" 1
1489 1 78 LEU QD 1 87 VAL H . . 4.650 4.012 3.193 4.367 . 0 0 "[ . 1 . 2]" 1
1490 1 78 LEU QD 1 88 SER H . . 3.590 3.095 2.614 3.409 . 0 0 "[ . 1 . 2]" 1
1491 1 78 LEU QD 1 88 SER HA . . 3.430 1.920 1.751 2.158 . 0 0 "[ . 1 . 2]" 1
1492 1 78 LEU QD 1 88 SER QB . . 3.420 1.838 1.753 1.996 . 0 0 "[ . 1 . 2]" 1
1493 1 78 LEU QD 1 89 ARG H . . 3.580 2.887 2.604 3.255 . 0 0 "[ . 1 . 2]" 1
1494 1 81 ASP H 1 81 ASP QB . . 3.240 2.757 2.603 3.103 . 0 0 "[ . 1 . 2]" 1
1495 1 81 ASP QB 1 82 SER H . . 3.190 2.179 1.915 2.293 . 0 0 "[ . 1 . 2]" 1
1496 1 81 ASP QB 1 83 THR H . . 5.340 2.482 2.277 3.310 . 0 0 "[ . 1 . 2]" 1
1497 1 81 ASP QB 1 85 ASN H . . 4.890 4.488 4.169 4.999 0.109 13 0 "[ . 1 . 2]" 1
1498 1 81 ASP QB 1 87 VAL MG2 . . 5.220 1.945 1.886 2.116 . 0 0 "[ . 1 . 2]" 1
1499 1 82 SER H 1 82 SER QB . . 3.360 2.256 2.121 2.769 . 0 0 "[ . 1 . 2]" 1
1500 1 82 SER HA 1 82 SER QB . . 2.610 2.349 2.182 2.493 . 0 0 "[ . 1 . 2]" 1
1501 1 82 SER QB 1 83 THR H . . 3.780 3.146 2.943 3.629 . 0 0 "[ . 1 . 2]" 1
1502 1 82 SER QB 1 83 THR HA . . 5.340 4.196 3.905 4.601 . 0 0 "[ . 1 . 2]" 1
1503 1 89 ARG H 1 89 ARG QB . . 3.300 2.591 2.488 2.673 . 0 0 "[ . 1 . 2]" 1
1504 1 89 ARG QB 1 89 ARG QG . . 2.180 2.042 2.006 2.087 . 0 0 "[ . 1 . 2]" 1
1505 1 89 ARG QD 1 89 ARG QG . . 2.380 2.060 2.007 2.089 . 0 0 "[ . 1 . 2]" 1
1506 1 90 LYS H 1 90 LYS QB . . 2.470 2.269 2.211 2.315 . 0 0 "[ . 1 . 2]" 1
1507 1 90 LYS H 1 90 LYS QG . . 5.060 3.991 3.954 4.059 . 0 0 "[ . 1 . 2]" 1
1508 1 90 LYS QB 1 90 LYS QG . . 2.180 2.057 2.016 2.086 . 0 0 "[ . 1 . 2]" 1
1509 1 90 LYS QD 1 90 LYS QG . . 2.310 2.027 2.016 2.033 . 0 0 "[ . 1 . 2]" 1
1510 1 90 LYS QG 1 91 ALA H . . 2.960 2.561 2.380 2.773 . 0 0 "[ . 1 . 2]" 1
1511 1 93 LEU H 1 93 LEU QD . . 3.490 3.408 3.329 3.486 . 0 0 "[ . 1 . 2]" 1
1512 1 93 LEU HA 1 93 LEU QD . . 3.570 2.932 2.798 3.019 . 0 0 "[ . 1 . 2]" 1
1513 1 93 LEU HA 1 94 LEU QD . . 5.440 3.933 3.020 5.233 . 0 0 "[ . 1 . 2]" 1
1514 1 93 LEU HG 1 96 ASN QD . . 5.340 5.341 5.186 5.417 0.077 12 0 "[ . 1 . 2]" 1
1515 1 93 LEU QD 1 94 LEU H . . 2.420 2.235 2.074 2.337 . 0 0 "[ . 1 . 2]" 1
1516 1 93 LEU QD 1 95 LEU H . . 3.390 3.402 3.362 3.452 0.062 16 0 "[ . 1 . 2]" 1
1517 1 93 LEU QD 1 96 ASN H . . 3.610 3.611 3.480 3.720 0.110 12 0 "[ . 1 . 2]" 1
1518 1 93 LEU QD 1 96 ASN QD . . 3.580 2.688 2.545 2.830 . 0 0 "[ . 1 . 2]" 1
1519 1 94 LEU H 1 94 LEU QB . . 2.940 2.652 2.247 2.942 0.002 12 0 "[ . 1 . 2]" 1
1520 1 94 LEU H 1 94 LEU QD . . 3.810 2.714 1.862 3.819 0.009 17 0 "[ . 1 . 2]" 1
1521 1 94 LEU QB 1 94 LEU QD . . 2.600 1.815 1.722 1.903 . 0 0 "[ . 1 . 2]" 1
1522 1 94 LEU QD 1 95 LEU H . . 4.970 3.644 2.125 4.324 . 0 0 "[ . 1 . 2]" 1
1523 1 94 LEU QD 1 96 ASN H . . 5.440 4.917 4.076 5.321 . 0 0 "[ . 1 . 2]" 1
1524 1 95 LEU H 1 95 LEU QD . . 4.180 3.662 3.326 3.715 . 0 0 "[ . 1 . 2]" 1
1525 1 95 LEU HA 1 95 LEU QD . . 2.800 2.070 1.909 2.200 . 0 0 "[ . 1 . 2]" 1
1526 1 95 LEU HA 1 96 ASN QD . . 5.340 3.321 3.009 3.456 . 0 0 "[ . 1 . 2]" 1
1527 1 95 LEU QB 1 95 LEU QD . . 2.650 1.929 1.912 1.946 . 0 0 "[ . 1 . 2]" 1
1528 1 95 LEU QD 1 96 ASN H . . 2.980 2.201 1.928 2.647 . 0 0 "[ . 1 . 2]" 1
1529 1 95 LEU QD 1 96 ASN HA . . 5.070 4.033 3.642 4.432 . 0 0 "[ . 1 . 2]" 1
1530 1 95 LEU QD 1 96 ASN QB . . 5.080 3.892 3.582 4.507 . 0 0 "[ . 1 . 2]" 1
1531 1 95 LEU QD 1 96 ASN QD . . 5.030 3.055 2.811 3.396 . 0 0 "[ . 1 . 2]" 1
1532 1 95 LEU QD 1 97 SER H . . 4.810 2.993 2.287 4.331 . 0 0 "[ . 1 . 2]" 1
1533 1 95 LEU QD 1 97 SER HA . . 5.170 3.282 2.925 3.780 . 0 0 "[ . 1 . 2]" 1
1534 1 96 ASN H 1 96 ASN QD . . 5.340 1.953 1.847 2.074 . 0 0 "[ . 1 . 2]" 1
1535 1 96 ASN QD 1 97 SER H . . 5.340 4.709 4.565 5.113 . 0 0 "[ . 1 . 2]" 1
1536 1 96 ASN QD 1 97 SER HA . . 5.340 5.361 5.127 5.419 0.079 20 0 "[ . 1 . 2]" 1
1537 1 97 SER H 1 97 SER QB . . 2.830 2.346 2.112 2.850 0.020 18 0 "[ . 1 . 2]" 1
1538 1 97 SER QB 1 98 SER H . . 2.960 2.715 1.983 2.986 0.026 19 0 "[ . 1 . 2]" 1
1539 1 98 SER H 1 98 SER QB . . 3.010 2.465 2.169 2.964 . 0 0 "[ . 1 . 2]" 1
1540 1 104 GLN H 1 104 GLN QB . . 3.450 2.498 2.099 3.274 . 0 0 "[ . 1 . 2]" 1
1541 1 104 GLN QB 1 105 ALA H . . 3.440 2.651 1.935 3.428 . 0 0 "[ . 1 . 2]" 1
1542 1 104 GLN QB 1 105 ALA HA . . 4.210 4.108 3.859 4.238 0.028 11 0 "[ . 1 . 2]" 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 80
_Distance_constraint_stats_list.Viol_count 951
_Distance_constraint_stats_list.Viol_total 1884.532
_Distance_constraint_stats_list.Viol_max 0.522
_Distance_constraint_stats_list.Viol_rms 0.0899
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0589
_Distance_constraint_stats_list.Viol_average_violations_only 0.0991
_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 17 GLU 0.150 0.121 17 0 "[ . 1 . 2]"
1 19 LEU 0.182 0.109 1 0 "[ . 1 . 2]"
1 20 GLU 0.150 0.121 17 0 "[ . 1 . 2]"
1 22 PHE 0.182 0.109 1 0 "[ . 1 . 2]"
1 24 LEU 1.643 0.118 11 0 "[ . 1 . 2]"
1 27 MET 1.643 0.118 11 0 "[ . 1 . 2]"
1 28 ARG 4.539 0.207 12 0 "[ . 1 . 2]"
1 30 VAL 5.761 0.226 8 0 "[ . 1 . 2]"
1 31 GLY 10.168 0.252 19 0 "[ . 1 . 2]"
1 33 LEU 0.238 0.025 4 0 "[ . 1 . 2]"
1 40 SER 0.238 0.025 4 0 "[ . 1 . 2]"
1 41 GLY 1.608 0.137 3 0 "[ . 1 . 2]"
1 42 PHE 15.929 0.252 19 0 "[ . 1 . 2]"
1 43 ILE 3.906 0.193 11 0 "[ . 1 . 2]"
1 44 GLU 4.539 0.207 12 0 "[ . 1 . 2]"
1 45 ALA 1.749 0.107 15 0 "[ . 1 . 2]"
1 48 TYR 1.749 0.107 15 0 "[ . 1 . 2]"
1 50 TYR 9.748 0.338 12 0 "[ . 1 . 2]"
1 52 VAL 1.608 0.137 3 0 "[ . 1 . 2]"
1 56 ASN 8.965 0.378 12 0 "[ . 1 . 2]"
1 57 TYR 0.069 0.038 17 0 "[ . 1 . 2]"
1 58 LEU 6.407 0.402 4 0 "[ . 1 . 2]"
1 59 GLY 5.843 0.338 12 0 "[ . 1 . 2]"
1 62 TYR 15.894 0.522 8 7 "[ . +*1 * . ***-]"
1 63 GLY 6.407 0.402 4 0 "[ . 1 . 2]"
1 64 ARG 3.040 0.141 9 0 "[ . 1 . 2]"
1 65 ILE 8.897 0.378 12 0 "[ . 1 . 2]"
1 66 GLU 4.216 0.177 9 0 "[ . 1 . 2]"
1 67 SER 4.620 0.279 18 0 "[ . 1 . 2]"
1 69 THR 6.278 0.229 17 0 "[ . 1 . 2]"
1 71 ASP 0.889 0.092 5 0 "[ . 1 . 2]"
1 72 SER 6.278 0.229 17 0 "[ . 1 . 2]"
1 73 ILE 2.940 0.204 12 0 "[ . 1 . 2]"
1 74 VAL 8.835 0.279 18 0 "[ . 1 . 2]"
1 75 LEU 1.390 0.103 15 0 "[ . 1 . 2]"
1 76 ASN 3.040 0.141 9 0 "[ . 1 . 2]"
1 77 GLU 0.744 0.059 12 0 "[ . 1 . 2]"
1 78 LEU 15.894 0.522 8 7 "[ . +*1 * . ***-]"
1 79 ILE 3.059 0.114 8 0 "[ . 1 . 2]"
1 87 VAL 3.059 0.114 8 0 "[ . 1 . 2]"
1 89 ARG 0.744 0.059 12 0 "[ . 1 . 2]"
1 91 ALA 1.390 0.103 15 0 "[ . 1 . 2]"
1 93 LEU 2.940 0.204 12 0 "[ . 1 . 2]"
1 95 LEU 0.889 0.092 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 GLU O 1 20 GLU H . . 2.000 1.863 1.805 2.121 0.121 17 0 "[ . 1 . 2]" 2
2 1 17 GLU O 1 20 GLU N . 2.700 3.000 2.778 2.738 3.026 0.026 17 0 "[ . 1 . 2]" 2
3 1 19 LEU O 1 22 PHE H . . 2.000 1.972 1.853 2.109 0.109 1 0 "[ . 1 . 2]" 2
4 1 19 LEU O 1 22 PHE N . 2.700 3.000 2.784 2.713 2.994 . 0 0 "[ . 1 . 2]" 2
5 1 24 LEU O 1 27 MET H . . 2.000 2.082 2.028 2.118 0.118 11 0 "[ . 1 . 2]" 2
6 1 24 LEU O 1 27 MET N . 2.700 3.000 2.742 2.714 2.943 . 0 0 "[ . 1 . 2]" 2
7 1 28 ARG H 1 44 GLU O . . 2.000 2.097 2.046 2.207 0.207 12 0 "[ . 1 . 2]" 2
8 1 28 ARG N 1 44 GLU O . 2.700 3.000 2.991 2.907 3.108 0.108 12 0 "[ . 1 . 2]" 2
9 1 30 VAL H 1 42 PHE O . . 2.000 2.191 2.118 2.226 0.226 8 0 "[ . 1 . 2]" 2
10 1 30 VAL N 1 42 PHE O . 2.700 3.000 3.097 3.061 3.125 0.125 4 0 "[ . 1 . 2]" 2
11 1 31 GLY H 1 42 PHE O . . 2.000 2.221 2.142 2.252 0.252 19 0 "[ . 1 . 2]" 2
12 1 31 GLY N 1 42 PHE O . 2.700 3.000 3.199 3.121 3.229 0.229 19 0 "[ . 1 . 2]" 2
13 1 33 LEU H 1 40 SER O . . 2.000 1.903 1.786 2.025 0.025 4 0 "[ . 1 . 2]" 2
14 1 33 LEU N 1 40 SER O . 2.700 3.000 2.836 2.735 2.981 . 0 0 "[ . 1 . 2]" 2
15 1 33 LEU O 1 40 SER H . . 2.000 1.966 1.790 2.022 0.022 13 0 "[ . 1 . 2]" 2
16 1 33 LEU O 1 40 SER N . 2.700 3.000 2.853 2.736 2.976 . 0 0 "[ . 1 . 2]" 2
17 1 41 GLY H 1 52 VAL O . . 2.000 1.994 1.797 2.137 0.137 3 0 "[ . 1 . 2]" 2
18 1 41 GLY N 1 52 VAL O . 2.700 3.000 2.672 2.636 2.746 0.064 10 0 "[ . 1 . 2]" 2
19 1 31 GLY O 1 42 PHE H . . 2.000 1.780 1.758 1.852 0.042 19 0 "[ . 1 . 2]" 2
20 1 31 GLY O 1 42 PHE N . 2.700 3.000 2.637 2.605 2.677 0.095 8 0 "[ . 1 . 2]" 2
21 1 43 ILE H 1 50 TYR O . . 2.000 2.149 2.120 2.193 0.193 11 0 "[ . 1 . 2]" 2
22 1 43 ILE N 1 50 TYR O . 2.700 3.000 3.019 2.994 3.043 0.043 12 0 "[ . 1 . 2]" 2
23 1 28 ARG O 1 44 GLU H . . 2.000 2.072 2.032 2.111 0.111 11 0 "[ . 1 . 2]" 2
24 1 28 ARG O 1 44 GLU N . 2.700 3.000 3.040 3.000 3.072 0.072 11 0 "[ . 1 . 2]" 2
25 1 45 ALA H 1 48 TYR O . . 2.000 1.817 1.762 1.900 0.038 8 0 "[ . 1 . 2]" 2
26 1 45 ALA N 1 48 TYR O . 2.700 3.000 2.697 2.669 2.744 0.031 6 0 "[ . 1 . 2]" 2
27 1 45 ALA O 1 48 TYR H . . 2.000 2.061 1.985 2.107 0.107 15 0 "[ . 1 . 2]" 2
28 1 45 ALA O 1 48 TYR N . 2.700 3.000 2.832 2.756 2.885 . 0 0 "[ . 1 . 2]" 2
29 1 43 ILE O 1 50 TYR H . . 2.000 2.025 1.979 2.062 0.062 13 0 "[ . 1 . 2]" 2
30 1 43 ILE O 1 50 TYR N . 2.700 3.000 2.955 2.904 2.986 . 0 0 "[ . 1 . 2]" 2
31 1 41 GLY O 1 52 VAL H . . 2.000 1.811 1.752 1.890 0.048 20 0 "[ . 1 . 2]" 2
32 1 41 GLY O 1 52 VAL N . 2.700 3.000 2.728 2.685 2.797 0.015 20 0 "[ . 1 . 2]" 2
33 1 56 ASN H 1 65 ILE O . . 2.000 2.255 2.202 2.378 0.378 12 0 "[ . 1 . 2]" 2
34 1 56 ASN N 1 65 ILE O . 2.700 3.000 3.144 3.093 3.264 0.264 12 0 "[ . 1 . 2]" 2
35 1 56 ASN OD1 1 57 TYR H . . 2.000 1.989 1.935 2.038 0.038 17 0 "[ . 1 . 2]" 2
36 1 56 ASN OD1 1 57 TYR N . 2.700 3.000 2.848 2.790 2.900 . 0 0 "[ . 1 . 2]" 2
37 1 58 LEU H 1 63 GLY O . . 2.000 1.874 1.790 1.966 0.010 16 0 "[ . 1 . 2]" 2
38 1 58 LEU N 1 63 GLY O . 2.700 3.000 2.729 2.663 2.805 0.037 16 0 "[ . 1 . 2]" 2
39 1 50 TYR OH 1 59 GLY H . . 2.000 2.163 2.101 2.338 0.338 12 0 "[ . 1 . 2]" 2
40 1 50 TYR OH 1 59 GLY N . 2.700 3.000 3.130 3.071 3.284 0.284 12 0 "[ . 1 . 2]" 2
41 1 62 TYR H 1 78 LEU O . . 2.000 2.483 2.438 2.522 0.522 8 7 "[ . +*1 * . ***-]" 2
42 1 62 TYR N 1 78 LEU O . 2.700 3.000 3.291 3.220 3.368 0.368 17 0 "[ . 1 . 2]" 2
43 1 58 LEU O 1 63 GLY H . . 2.000 2.311 2.237 2.402 0.402 4 0 "[ . 1 . 2]" 2
44 1 58 LEU O 1 63 GLY N . 2.700 3.000 2.955 2.889 3.059 0.059 4 0 "[ . 1 . 2]" 2
45 1 64 ARG H 1 76 ASN O . . 2.000 2.094 2.050 2.141 0.141 9 0 "[ . 1 . 2]" 2
46 1 64 ARG N 1 76 ASN O . 2.700 3.000 3.033 3.010 3.077 0.077 9 0 "[ . 1 . 2]" 2
47 1 56 ASN O 1 65 ILE H . . 2.000 2.033 1.916 2.174 0.174 12 0 "[ . 1 . 2]" 2
48 1 56 ASN O 1 65 ILE N . 2.700 3.000 2.897 2.793 3.007 0.007 20 0 "[ . 1 . 2]" 2
49 1 66 GLU H 1 74 VAL O . . 2.000 2.125 2.036 2.177 0.177 9 0 "[ . 1 . 2]" 2
50 1 66 GLU N 1 74 VAL O . 2.700 3.000 3.082 2.915 3.144 0.144 2 0 "[ . 1 . 2]" 2
51 1 67 SER H 1 74 VAL O . . 2.000 2.156 2.100 2.279 0.279 18 0 "[ . 1 . 2]" 2
52 1 67 SER N 1 74 VAL O . 2.700 3.000 3.071 3.012 3.185 0.185 12 0 "[ . 1 . 2]" 2
53 1 69 THR H 1 72 SER O . . 2.000 1.879 1.816 2.014 0.014 7 0 "[ . 1 . 2]" 2
54 1 69 THR N 1 72 SER O . 2.700 3.000 2.672 2.630 2.765 0.070 3 0 "[ . 1 . 2]" 2
55 1 69 THR O 1 72 SER H . . 2.000 2.198 2.109 2.229 0.229 17 0 "[ . 1 . 2]" 2
56 1 69 THR O 1 72 SER N . 2.700 3.000 3.080 3.022 3.137 0.137 5 0 "[ . 1 . 2]" 2
57 1 73 ILE H 1 93 LEU O . . 2.000 2.040 1.951 2.113 0.113 8 0 "[ . 1 . 2]" 2
58 1 73 ILE N 1 93 LEU O . 2.700 3.000 2.956 2.884 3.007 0.007 17 0 "[ . 1 . 2]" 2
59 1 67 SER O 1 74 VAL H . . 2.000 1.862 1.782 2.062 0.062 12 0 "[ . 1 . 2]" 2
60 1 67 SER O 1 74 VAL N . 2.700 3.000 2.754 2.693 2.933 0.007 13 0 "[ . 1 . 2]" 2
61 1 75 LEU H 1 91 ALA O . . 2.000 2.050 1.905 2.103 0.103 15 0 "[ . 1 . 2]" 2
62 1 75 LEU N 1 91 ALA O . 2.700 3.000 3.003 2.866 3.041 0.041 8 0 "[ . 1 . 2]" 2
63 1 64 ARG O 1 76 ASN H . . 2.000 1.781 1.749 1.918 0.051 16 0 "[ . 1 . 2]" 2
64 1 64 ARG O 1 76 ASN N . 2.700 3.000 2.740 2.713 2.864 . 0 0 "[ . 1 . 2]" 2
65 1 77 GLU H 1 89 ARG O . . 2.000 2.013 1.957 2.059 0.059 12 0 "[ . 1 . 2]" 2
66 1 77 GLU N 1 89 ARG O . 2.700 3.000 2.831 2.786 2.890 . 0 0 "[ . 1 . 2]" 2
67 1 62 TYR O 1 78 LEU H . . 2.000 1.951 1.837 2.087 0.087 12 0 "[ . 1 . 2]" 2
68 1 62 TYR O 1 78 LEU N . 2.700 3.000 2.794 2.707 2.913 . 0 0 "[ . 1 . 2]" 2
69 1 79 ILE H 1 87 VAL O . . 2.000 2.092 2.032 2.114 0.114 8 0 "[ . 1 . 2]" 2
70 1 79 ILE N 1 87 VAL O . 2.700 3.000 3.035 2.982 3.061 0.061 8 0 "[ . 1 . 2]" 2
71 1 79 ILE O 1 87 VAL H . . 2.000 1.776 1.762 1.792 0.038 13 0 "[ . 1 . 2]" 2
72 1 79 ILE O 1 87 VAL N . 2.700 3.000 2.750 2.739 2.766 . 0 0 "[ . 1 . 2]" 2
73 1 77 GLU O 1 89 ARG H . . 2.000 2.003 1.790 2.056 0.056 9 0 "[ . 1 . 2]" 2
74 1 77 GLU O 1 89 ARG N . 2.700 3.000 2.780 2.689 2.865 0.011 20 0 "[ . 1 . 2]" 2
75 1 75 LEU O 1 91 ALA H . . 2.000 1.878 1.795 2.022 0.022 8 0 "[ . 1 . 2]" 2
76 1 75 LEU O 1 91 ALA N . 2.700 3.000 2.840 2.738 2.974 . 0 0 "[ . 1 . 2]" 2
77 1 73 ILE O 1 93 LEU H . . 2.000 2.100 2.064 2.204 0.204 12 0 "[ . 1 . 2]" 2
78 1 73 ILE O 1 93 LEU N . 2.700 3.000 2.958 2.882 3.055 0.055 12 0 "[ . 1 . 2]" 2
79 1 71 ASP O 1 95 LEU H . . 2.000 2.013 1.794 2.092 0.092 5 0 "[ . 1 . 2]" 2
80 1 71 ASP O 1 95 LEU N . 2.700 3.000 2.954 2.751 3.016 0.016 5 0 "[ . 1 . 2]" 2
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