NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
471665 |
2kvb   |
16773 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kvb
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 1523
_Distance_constraint_stats_list.Viol_count 2366
_Distance_constraint_stats_list.Viol_total 3559.283
_Distance_constraint_stats_list.Viol_max 0.956
_Distance_constraint_stats_list.Viol_rms 0.0331
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0752
_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 9 ARG 0.144 0.118 20 0 "[ . 1 . 2]"
1 10 THR 0.893 0.110 9 0 "[ . 1 . 2]"
1 11 GLU 0.047 0.035 19 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.744 0.067 11 0 "[ . 1 . 2]"
1 14 ASN 0.563 0.109 13 0 "[ . 1 . 2]"
1 15 CYS 1.457 0.174 9 0 "[ . 1 . 2]"
1 16 THR 0.487 0.093 20 0 "[ . 1 . 2]"
1 17 VAL 0.014 0.014 11 0 "[ . 1 . 2]"
1 18 PHE 4.783 0.211 4 0 "[ . 1 . 2]"
1 19 ASP 4.314 0.181 9 0 "[ . 1 . 2]"
1 20 SER 0.226 0.056 8 0 "[ . 1 . 2]"
1 21 GLN 6.807 0.207 14 0 "[ . 1 . 2]"
1 22 ALA 8.361 0.211 4 0 "[ . 1 . 2]"
1 23 GLY 1.402 0.119 14 0 "[ . 1 . 2]"
1 24 PHE 1.016 0.181 9 0 "[ . 1 . 2]"
1 25 SER 1.119 0.114 8 0 "[ . 1 . 2]"
1 26 PHE 2.377 0.207 18 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LEU 0.664 0.080 12 0 "[ . 1 . 2]"
1 29 THR 2.432 0.133 8 0 "[ . 1 . 2]"
1 30 PRO 0.697 0.099 20 0 "[ . 1 . 2]"
1 31 LEU 2.295 0.133 8 0 "[ . 1 . 2]"
1 32 THR 3.147 0.120 20 0 "[ . 1 . 2]"
1 33 LYS 3.775 0.135 17 0 "[ . 1 . 2]"
1 34 LYS 2.472 0.164 13 0 "[ . 1 . 2]"
1 35 ASP 2.546 0.164 13 0 "[ . 1 . 2]"
1 36 ALA 0.232 0.041 16 0 "[ . 1 . 2]"
1 37 TYR 5.403 0.161 13 0 "[ . 1 . 2]"
1 38 LYS 8.706 0.251 11 0 "[ . 1 . 2]"
1 39 VAL 2.114 0.087 1 0 "[ . 1 . 2]"
1 40 GLU 1.092 0.087 1 0 "[ . 1 . 2]"
1 41 THR 2.846 0.210 12 0 "[ . 1 . 2]"
1 42 ASP 0.326 0.065 18 0 "[ . 1 . 2]"
1 43 LYS 4.117 0.210 12 0 "[ . 1 . 2]"
1 44 TYR 3.769 0.169 15 0 "[ . 1 . 2]"
1 45 GLU 1.406 0.127 16 0 "[ . 1 . 2]"
1 46 PHE 3.738 0.135 14 0 "[ . 1 . 2]"
1 47 HIS 7.086 0.205 13 0 "[ . 1 . 2]"
1 48 ILE 2.518 0.099 6 0 "[ . 1 . 2]"
1 49 ASN 1.960 0.099 6 0 "[ . 1 . 2]"
1 50 VAL 0.108 0.075 7 0 "[ . 1 . 2]"
1 51 CYS 0.428 0.081 13 0 "[ . 1 . 2]"
1 52 GLY 5.264 0.199 10 0 "[ . 1 . 2]"
1 53 PRO 4.672 0.199 10 0 "[ . 1 . 2]"
1 54 VAL 1.927 0.124 16 0 "[ . 1 . 2]"
1 55 SER 0.783 0.077 14 0 "[ . 1 . 2]"
1 56 VAL 2.845 0.249 3 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.080 0.041 19 0 "[ . 1 . 2]"
1 59 CYS 0.832 0.249 3 0 "[ . 1 . 2]"
1 60 PRO 0.327 0.045 10 0 "[ . 1 . 2]"
1 61 PRO 0.697 0.077 14 0 "[ . 1 . 2]"
1 62 ASP 0.890 0.120 6 0 "[ . 1 . 2]"
1 63 SER 0.929 0.071 19 0 "[ . 1 . 2]"
1 64 GLY 4.937 0.420 6 0 "[ . 1 . 2]"
1 65 ALA 1.253 0.090 14 0 "[ . 1 . 2]"
1 66 CYS 0.039 0.017 13 0 "[ . 1 . 2]"
1 67 GLN 3.702 0.214 7 0 "[ . 1 . 2]"
1 68 VAL 1.627 0.346 10 0 "[ . 1 . 2]"
1 69 SER 0.172 0.076 4 0 "[ . 1 . 2]"
1 70 ARG 2.690 0.137 6 0 "[ . 1 . 2]"
1 71 SER 1.929 0.169 15 0 "[ . 1 . 2]"
1 72 ASP 1.397 0.108 19 0 "[ . 1 . 2]"
1 73 ARG 4.260 0.313 12 0 "[ . 1 . 2]"
1 74 LYS 6.058 0.197 8 0 "[ . 1 . 2]"
1 75 SER 4.068 0.214 7 0 "[ . 1 . 2]"
1 76 TRP 3.466 0.346 10 0 "[ . 1 . 2]"
1 77 ASN 3.404 0.174 20 0 "[ . 1 . 2]"
1 78 LEU 0.057 0.017 14 0 "[ . 1 . 2]"
1 79 GLY 4.110 0.787 10 2 "[ - . + . 2]"
1 80 ARG 3.655 0.197 8 0 "[ . 1 . 2]"
1 81 SER 2.331 0.334 8 0 "[ . 1 . 2]"
1 82 ASN 26.476 0.956 3 19 "[**+*** ********-****]"
1 83 ALA 3.927 0.174 9 0 "[ . 1 . 2]"
1 84 LYS 3.723 0.133 6 0 "[ . 1 . 2]"
1 85 LEU 0.271 0.093 20 0 "[ . 1 . 2]"
1 86 SER 0.380 0.118 20 0 "[ . 1 . 2]"
1 87 TYR 3.347 0.117 2 0 "[ . 1 . 2]"
1 88 TYR 3.088 0.258 2 0 "[ . 1 . 2]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLY 0.063 0.022 8 0 "[ . 1 . 2]"
1 91 MET 2.576 0.170 15 0 "[ . 1 . 2]"
1 92 ILE 0.633 0.094 18 0 "[ . 1 . 2]"
1 93 GLN 7.987 0.716 6 1 "[ .+ 1 . 2]"
1 94 LEU 0.056 0.039 9 0 "[ . 1 . 2]"
1 95 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 TYR 18.953 0.956 3 19 "[**+*** ********-****]"
1 97 ARG 2.022 0.197 8 0 "[ . 1 . 2]"
1 98 ASP 1.019 0.109 3 0 "[ . 1 . 2]"
1 99 GLY 4.668 0.787 10 2 "[ - . + . 2]"
1 100 THR 3.404 0.174 20 0 "[ . 1 . 2]"
1 101 PRO 1.655 0.146 11 0 "[ . 1 . 2]"
1 102 TYR 2.870 0.126 7 0 "[ . 1 . 2]"
1 103 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ASN 2.301 0.147 16 0 "[ . 1 . 2]"
1 105 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LYS 2.395 0.219 15 0 "[ . 1 . 2]"
1 107 ARG 3.003 0.167 14 0 "[ . 1 . 2]"
1 108 THR 1.464 0.146 11 0 "[ . 1 . 2]"
1 109 PRO 1.615 0.118 9 0 "[ . 1 . 2]"
1 110 ARG 0.631 0.096 12 0 "[ . 1 . 2]"
1 111 ALA 1.589 0.205 8 0 "[ . 1 . 2]"
1 112 THR 0.008 0.008 20 0 "[ . 1 . 2]"
1 113 LEU 0.733 0.090 6 0 "[ . 1 . 2]"
1 114 ILE 0.064 0.042 20 0 "[ . 1 . 2]"
1 115 THR 2.364 0.142 10 0 "[ . 1 . 2]"
1 116 PHE 4.700 0.170 15 0 "[ . 1 . 2]"
1 117 LEU 1.632 0.096 9 0 "[ . 1 . 2]"
1 118 CYS 2.253 0.198 7 0 "[ . 1 . 2]"
1 119 ASP 0.239 0.052 10 0 "[ . 1 . 2]"
1 123 GLY 1.262 0.141 12 0 "[ . 1 . 2]"
1 124 VAL 2.246 0.192 18 0 "[ . 1 . 2]"
1 125 GLY 4.852 0.174 11 0 "[ . 1 . 2]"
1 126 PHE 3.943 0.174 11 0 "[ . 1 . 2]"
1 127 PRO 0.471 0.075 19 0 "[ . 1 . 2]"
1 128 GLU 2.874 0.128 9 0 "[ . 1 . 2]"
1 129 TYR 6.304 0.135 14 0 "[ . 1 . 2]"
1 130 GLN 0.832 0.230 9 0 "[ . 1 . 2]"
1 131 GLU 0.580 0.084 14 0 "[ . 1 . 2]"
1 132 GLU 2.395 0.129 17 0 "[ . 1 . 2]"
1 133 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 ASN 0.014 0.014 18 0 "[ . 1 . 2]"
1 135 SER 0.405 0.086 18 0 "[ . 1 . 2]"
1 136 THR 1.087 0.205 8 0 "[ . 1 . 2]"
1 137 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 ASN 10.741 0.716 6 1 "[ .+ 1 . 2]"
1 139 PHE 1.248 0.082 9 0 "[ . 1 . 2]"
1 140 ARG 2.924 0.120 7 0 "[ . 1 . 2]"
1 141 TRP 1.622 0.152 5 0 "[ . 1 . 2]"
1 142 TYR 1.417 0.118 2 0 "[ . 1 . 2]"
1 143 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 SER 0.698 0.161 9 0 "[ . 1 . 2]"
1 145 TYR 1.667 0.071 10 0 "[ . 1 . 2]"
1 146 ALA 0.372 0.057 19 0 "[ . 1 . 2]"
1 147 CYS 0.995 0.198 7 0 "[ . 1 . 2]"
1 148 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ARG H 1 21 GLN HE21 . . 5.000 4.287 3.746 4.720 . 0 0 "[ . 1 . 2]" 1
2 1 9 ARG HA 1 9 ARG HD2 . . 5.500 4.370 2.585 4.967 . 0 0 "[ . 1 . 2]" 1
3 1 9 ARG HA 1 9 ARG HD3 . . 5.500 4.538 3.565 4.911 . 0 0 "[ . 1 . 2]" 1
4 1 9 ARG HA 1 88 TYR QD . . 4.670 3.417 2.327 4.691 0.021 17 0 "[ . 1 . 2]" 1
5 1 9 ARG QB 1 10 THR HA . . 4.810 4.364 3.564 4.788 . 0 0 "[ . 1 . 2]" 1
6 1 9 ARG QB 1 86 SER QB . . 5.180 4.196 3.190 5.185 0.005 13 0 "[ . 1 . 2]" 1
7 1 9 ARG QD 1 86 SER QB . . 5.080 3.595 2.216 5.198 0.118 20 0 "[ . 1 . 2]" 1
8 1 9 ARG QG 1 10 THR H . . 4.840 3.228 2.564 4.327 . 0 0 "[ . 1 . 2]" 1
9 1 9 ARG QG 1 86 SER QB . . 4.170 2.965 1.859 4.128 . 0 0 "[ . 1 . 2]" 1
10 1 10 THR H 1 86 SER HA . . 5.150 4.317 3.852 4.749 . 0 0 "[ . 1 . 2]" 1
11 1 10 THR H 1 87 TYR H . . 4.600 2.644 2.314 3.074 . 0 0 "[ . 1 . 2]" 1
12 1 10 THR H 1 87 TYR HB2 . . 5.320 4.416 3.943 4.950 . 0 0 "[ . 1 . 2]" 1
13 1 10 THR H 1 88 TYR QD . . 5.390 4.980 4.198 5.438 0.048 7 0 "[ . 1 . 2]" 1
14 1 10 THR HA 1 11 GLU H . . 3.210 2.250 2.157 2.341 . 0 0 "[ . 1 . 2]" 1
15 1 10 THR HA 1 19 ASP HA . . 5.500 5.259 4.763 5.556 0.056 5 0 "[ . 1 . 2]" 1
16 1 10 THR HA 1 86 SER HA . . 5.500 5.383 5.143 5.560 0.060 3 0 "[ . 1 . 2]" 1
17 1 10 THR HB 1 11 GLU H . . 5.050 4.184 3.989 4.306 . 0 0 "[ . 1 . 2]" 1
18 1 10 THR HB 1 87 TYR H . . 5.500 3.602 2.680 4.797 . 0 0 "[ . 1 . 2]" 1
19 1 10 THR HB 1 87 TYR HB2 . . 4.690 3.880 2.882 4.800 0.110 9 0 "[ . 1 . 2]" 1
20 1 10 THR HB 1 87 TYR HB3 . . 5.270 2.744 1.912 4.032 . 0 0 "[ . 1 . 2]" 1
21 1 11 GLU H 1 11 GLU QB . . 3.680 2.425 2.348 2.553 . 0 0 "[ . 1 . 2]" 1
22 1 11 GLU H 1 11 GLU QG . . 4.540 4.056 3.987 4.130 . 0 0 "[ . 1 . 2]" 1
23 1 11 GLU H 1 12 GLY H . . 5.080 4.342 4.230 4.484 . 0 0 "[ . 1 . 2]" 1
24 1 11 GLU HA 1 12 GLY H . . 3.430 2.119 2.059 2.210 . 0 0 "[ . 1 . 2]" 1
25 1 11 GLU HA 1 86 SER HA . . 4.290 2.317 1.998 2.791 . 0 0 "[ . 1 . 2]" 1
26 1 11 GLU HA 1 86 SER QB . . 5.000 3.736 3.433 4.470 . 0 0 "[ . 1 . 2]" 1
27 1 11 GLU HA 1 87 TYR H . . 5.190 3.606 3.240 4.234 . 0 0 "[ . 1 . 2]" 1
28 1 11 GLU QB 1 11 GLU QG . . 2.330 2.074 1.998 2.093 . 0 0 "[ . 1 . 2]" 1
29 1 11 GLU QB 1 12 GLY H . . 3.970 3.715 3.570 3.820 . 0 0 "[ . 1 . 2]" 1
30 1 11 GLU QB 1 12 GLY QA . . 5.180 4.422 4.271 4.522 . 0 0 "[ . 1 . 2]" 1
31 1 11 GLU HB2 1 12 GLY H . . 4.850 4.232 4.089 4.359 . 0 0 "[ . 1 . 2]" 1
32 1 11 GLU HB3 1 12 GLY H . . 4.850 4.115 3.893 4.259 . 0 0 "[ . 1 . 2]" 1
33 1 11 GLU QG 1 12 GLY H . . 4.830 2.795 2.482 2.982 . 0 0 "[ . 1 . 2]" 1
34 1 11 GLU QG 1 84 LYS HA . . 4.400 3.939 3.277 4.435 0.035 19 0 "[ . 1 . 2]" 1
35 1 12 GLY H 1 13 ASP H . . 4.900 4.162 3.593 4.537 . 0 0 "[ . 1 . 2]" 1
36 1 12 GLY H 1 17 VAL HB . . 5.410 4.160 3.433 5.015 . 0 0 "[ . 1 . 2]" 1
37 1 13 ASP H 1 13 ASP QB . . 3.900 2.558 2.365 2.739 . 0 0 "[ . 1 . 2]" 1
38 1 13 ASP H 1 16 THR H . . 4.570 4.047 3.457 4.637 0.067 11 0 "[ . 1 . 2]" 1
39 1 13 ASP H 1 85 LEU H . . 5.440 4.207 3.638 5.003 . 0 0 "[ . 1 . 2]" 1
40 1 13 ASP HA 1 14 ASN HA . . 4.490 4.394 4.198 4.549 0.059 13 0 "[ . 1 . 2]" 1
41 1 13 ASP HA 1 84 LYS HA . . 5.260 3.593 2.927 4.349 . 0 0 "[ . 1 . 2]" 1
42 1 13 ASP HA 1 84 LYS HB3 . . 5.170 4.666 3.598 5.214 0.044 5 0 "[ . 1 . 2]" 1
43 1 13 ASP HA 1 84 LYS HD2 . . 5.500 2.850 2.171 3.363 . 0 0 "[ . 1 . 2]" 1
44 1 13 ASP HA 1 84 LYS HD3 . . 4.670 3.018 2.081 3.959 . 0 0 "[ . 1 . 2]" 1
45 1 13 ASP QB 1 14 ASN H . . 4.330 2.164 1.737 2.737 . 0 0 "[ . 1 . 2]" 1
46 1 13 ASP QB 1 84 LYS HD3 . . 5.500 4.686 3.874 5.234 . 0 0 "[ . 1 . 2]" 1
47 1 13 ASP QB 1 84 LYS QE . . 4.890 4.685 3.231 4.935 0.045 5 0 "[ . 1 . 2]" 1
48 1 14 ASN H 1 83 ALA MB . . 4.370 4.307 3.925 4.479 0.109 13 0 "[ . 1 . 2]" 1
49 1 14 ASN HA 1 16 THR H . . 4.990 3.946 3.611 4.382 . 0 0 "[ . 1 . 2]" 1
50 1 14 ASN HA 1 83 ALA MB . . 3.810 2.172 1.726 2.551 . 0 0 "[ . 1 . 2]" 1
51 1 14 ASN QB 1 16 THR H . . 5.070 3.928 2.556 4.735 . 0 0 "[ . 1 . 2]" 1
52 1 15 CYS CB 1 51 CYS SG . . 3.100 3.028 2.948 3.110 0.010 11 0 "[ . 1 . 2]" 1
53 1 15 CYS H 1 16 THR H . . 3.980 2.934 2.658 3.387 . 0 0 "[ . 1 . 2]" 1
54 1 15 CYS QB 1 29 THR H . . 4.950 3.718 2.848 4.875 . 0 0 "[ . 1 . 2]" 1
55 1 15 CYS QB 1 29 THR HA . . 4.330 2.657 1.981 4.098 . 0 0 "[ . 1 . 2]" 1
56 1 15 CYS QB 1 83 ALA MB . . 3.780 3.595 2.561 3.954 0.174 9 0 "[ . 1 . 2]" 1
57 1 15 CYS SG 1 51 CYS CB . . 3.100 3.018 2.945 3.071 . 0 0 "[ . 1 . 2]" 1
58 1 15 CYS SG 1 51 CYS SG . . 2.100 2.025 2.006 2.036 . 0 0 "[ . 1 . 2]" 1
59 1 16 THR H 1 27 ASP HA . . 5.420 5.032 4.722 5.412 . 0 0 "[ . 1 . 2]" 1
60 1 16 THR H 1 83 ALA MB . . 5.450 4.586 4.152 4.937 . 0 0 "[ . 1 . 2]" 1
61 1 16 THR H 1 85 LEU HB2 . . 4.530 4.228 3.521 4.568 0.038 11 0 "[ . 1 . 2]" 1
62 1 16 THR H 1 85 LEU HG . . 5.500 3.951 3.005 5.593 0.093 20 0 "[ . 1 . 2]" 1
63 1 16 THR HA 1 17 VAL H . . 3.350 2.253 2.172 2.335 . 0 0 "[ . 1 . 2]" 1
64 1 16 THR HA 1 17 VAL HA . . 5.430 4.366 4.282 4.421 . 0 0 "[ . 1 . 2]" 1
65 1 16 THR HA 1 27 ASP HA . . 3.980 2.364 2.163 2.689 . 0 0 "[ . 1 . 2]" 1
66 1 16 THR HA 1 27 ASP QB . . 5.340 3.963 3.414 4.695 . 0 0 "[ . 1 . 2]" 1
67 1 16 THR HA 1 28 LEU H . . 4.190 2.859 2.281 3.216 . 0 0 "[ . 1 . 2]" 1
68 1 16 THR HA 1 29 THR H . . 5.500 4.612 4.119 5.087 . 0 0 "[ . 1 . 2]" 1
69 1 16 THR HB 1 17 VAL H . . 3.890 2.955 2.847 3.048 . 0 0 "[ . 1 . 2]" 1
70 1 17 VAL H 1 18 PHE HA . . 4.990 4.750 4.631 4.869 . 0 0 "[ . 1 . 2]" 1
71 1 17 VAL H 1 25 SER HA . . 5.130 4.796 4.544 5.144 0.014 11 0 "[ . 1 . 2]" 1
72 1 17 VAL H 1 26 PHE H . . 4.010 3.052 2.838 3.299 . 0 0 "[ . 1 . 2]" 1
73 1 17 VAL H 1 26 PHE QB . . 4.310 3.543 3.204 3.706 . 0 0 "[ . 1 . 2]" 1
74 1 17 VAL H 1 27 ASP HA . . 4.780 3.549 3.167 3.843 . 0 0 "[ . 1 . 2]" 1
75 1 17 VAL HA 1 18 PHE H . . 3.320 2.145 2.074 2.225 . 0 0 "[ . 1 . 2]" 1
76 1 17 VAL HB 1 18 PHE H . . 4.780 4.217 4.128 4.343 . 0 0 "[ . 1 . 2]" 1
77 1 17 VAL HB 1 85 LEU HB2 . . 4.120 2.072 1.868 2.483 . 0 0 "[ . 1 . 2]" 1
78 1 17 VAL HB 1 85 LEU HB3 . . 4.690 2.444 2.167 2.812 . 0 0 "[ . 1 . 2]" 1
79 1 18 PHE H 1 18 PHE QB . . 3.600 2.564 2.465 2.678 . 0 0 "[ . 1 . 2]" 1
80 1 18 PHE HA 1 19 ASP HB3 . . 5.210 4.398 4.104 4.675 . 0 0 "[ . 1 . 2]" 1
81 1 18 PHE HA 1 25 SER HA . . 4.140 2.155 2.002 2.451 . 0 0 "[ . 1 . 2]" 1
82 1 18 PHE HA 1 25 SER QB . . 5.020 3.278 2.795 4.122 . 0 0 "[ . 1 . 2]" 1
83 1 18 PHE HA 1 26 PHE H . . 4.660 3.293 3.127 3.428 . 0 0 "[ . 1 . 2]" 1
84 1 18 PHE HA 1 26 PHE QD . . 5.190 4.386 3.885 4.776 . 0 0 "[ . 1 . 2]" 1
85 1 18 PHE HA 1 87 TYR QD . . 4.510 4.536 4.319 4.616 0.106 2 0 "[ . 1 . 2]" 1
86 1 18 PHE QB 1 25 SER HA . . 4.360 3.112 2.807 3.400 . 0 0 "[ . 1 . 2]" 1
87 1 18 PHE QB 1 25 SER QB . . 4.410 2.525 2.220 3.262 . 0 0 "[ . 1 . 2]" 1
88 1 18 PHE QB 1 26 PHE H . . 4.880 4.177 3.883 4.500 . 0 0 "[ . 1 . 2]" 1
89 1 18 PHE QD 1 19 ASP H . . 5.500 2.526 2.313 2.767 . 0 0 "[ . 1 . 2]" 1
90 1 18 PHE QD 1 19 ASP HA . . 5.500 4.639 4.552 4.754 . 0 0 "[ . 1 . 2]" 1
91 1 18 PHE QD 1 20 SER HA . . 5.500 4.666 4.338 5.077 . 0 0 "[ . 1 . 2]" 1
92 1 18 PHE QD 1 20 SER QB . . 5.340 4.736 4.160 5.297 . 0 0 "[ . 1 . 2]" 1
93 1 18 PHE QD 1 25 SER HA . . 5.170 2.243 2.092 2.409 . 0 0 "[ . 1 . 2]" 1
94 1 18 PHE QD 1 25 SER QB . . 4.390 2.252 2.006 2.931 . 0 0 "[ . 1 . 2]" 1
95 1 18 PHE QE 1 20 SER HA . . 5.230 3.620 3.131 4.034 . 0 0 "[ . 1 . 2]" 1
96 1 18 PHE QE 1 22 ALA MB . . 4.870 5.005 4.951 5.081 0.211 4 0 "[ . 1 . 2]" 1
97 1 18 PHE QE 1 23 GLY HA2 . . 5.500 2.772 2.371 3.166 . 0 0 "[ . 1 . 2]" 1
98 1 18 PHE QE 1 23 GLY HA3 . . 5.160 3.998 3.498 4.335 . 0 0 "[ . 1 . 2]" 1
99 1 18 PHE QE 1 25 SER HA . . 5.500 4.324 4.103 4.489 . 0 0 "[ . 1 . 2]" 1
100 1 18 PHE QE 1 25 SER QB . . 5.190 3.645 3.510 3.795 . 0 0 "[ . 1 . 2]" 1
101 1 18 PHE HZ 1 20 SER HA . . 5.110 3.498 2.945 3.843 . 0 0 "[ . 1 . 2]" 1
102 1 18 PHE HZ 1 20 SER QB . . 5.000 4.747 4.294 5.056 0.056 8 0 "[ . 1 . 2]" 1
103 1 18 PHE HZ 1 25 SER QB . . 5.130 5.181 5.141 5.244 0.114 8 0 "[ . 1 . 2]" 1
104 1 19 ASP H 1 25 SER HA . . 5.020 3.360 3.024 3.809 . 0 0 "[ . 1 . 2]" 1
105 1 19 ASP HA 1 20 SER H . . 2.770 2.090 2.030 2.147 . 0 0 "[ . 1 . 2]" 1
106 1 19 ASP HA 1 20 SER HA . . 5.010 4.281 4.210 4.347 . 0 0 "[ . 1 . 2]" 1
107 1 19 ASP HA 1 20 SER QB . . 4.540 4.323 3.981 4.490 . 0 0 "[ . 1 . 2]" 1
108 1 19 ASP HA 1 21 GLN H . . 3.720 3.780 3.731 3.842 0.122 9 0 "[ . 1 . 2]" 1
109 1 19 ASP HA 1 23 GLY H . . 5.230 4.987 4.919 5.072 . 0 0 "[ . 1 . 2]" 1
110 1 19 ASP HA 1 87 TYR QD . . 4.890 4.801 4.421 5.007 0.117 2 0 "[ . 1 . 2]" 1
111 1 19 ASP HB2 1 22 ALA MB . . 4.820 3.549 3.195 4.161 . 0 0 "[ . 1 . 2]" 1
112 1 19 ASP HB2 1 23 GLY H . . 5.050 4.932 4.238 5.169 0.119 14 0 "[ . 1 . 2]" 1
113 1 19 ASP HB2 1 24 PHE H . . 4.850 4.884 4.734 5.031 0.181 9 0 "[ . 1 . 2]" 1
114 1 19 ASP HB3 1 22 ALA MB . . 4.820 2.604 1.878 4.323 . 0 0 "[ . 1 . 2]" 1
115 1 19 ASP HB3 1 23 GLY H . . 5.000 3.878 3.435 5.063 0.063 9 0 "[ . 1 . 2]" 1
116 1 19 ASP HB3 1 24 PHE H . . 5.050 3.659 3.102 4.834 . 0 0 "[ . 1 . 2]" 1
117 1 19 ASP HB3 1 26 PHE QD . . 5.290 4.935 4.464 5.356 0.066 19 0 "[ . 1 . 2]" 1
118 1 19 ASP HB3 1 87 TYR HB3 . . 4.420 3.866 2.415 4.450 0.030 15 0 "[ . 1 . 2]" 1
119 1 19 ASP HB3 1 87 TYR QD . . 4.710 3.379 2.299 3.965 . 0 0 "[ . 1 . 2]" 1
120 1 19 ASP HB3 1 87 TYR QE . . 5.130 3.922 3.356 4.563 . 0 0 "[ . 1 . 2]" 1
121 1 20 SER H 1 21 GLN H . . 4.330 2.663 2.594 2.741 . 0 0 "[ . 1 . 2]" 1
122 1 20 SER HA 1 20 SER QB . . 2.630 2.191 2.140 2.368 . 0 0 "[ . 1 . 2]" 1
123 1 20 SER HA 1 23 GLY H . . 5.260 3.513 3.149 3.878 . 0 0 "[ . 1 . 2]" 1
124 1 20 SER HA 1 23 GLY HA3 . . 5.140 4.957 4.505 5.175 0.035 12 0 "[ . 1 . 2]" 1
125 1 21 GLN H 1 21 GLN HB2 . . 3.430 3.417 2.580 3.591 0.161 12 0 "[ . 1 . 2]" 1
126 1 21 GLN H 1 21 GLN QG . . 4.060 2.277 1.820 3.261 . 0 0 "[ . 1 . 2]" 1
127 1 21 GLN H 1 22 ALA H . . 3.680 2.438 2.187 2.740 . 0 0 "[ . 1 . 2]" 1
128 1 21 GLN H 1 23 GLY H . . 4.490 3.589 3.314 3.809 . 0 0 "[ . 1 . 2]" 1
129 1 21 GLN HB2 1 22 ALA H . . 3.920 3.460 2.405 3.913 . 0 0 "[ . 1 . 2]" 1
130 1 21 GLN HB2 1 22 ALA HA . . 4.250 4.262 3.991 4.416 0.166 16 0 "[ . 1 . 2]" 1
131 1 21 GLN HB3 1 22 ALA H . . 4.540 4.011 3.602 4.345 . 0 0 "[ . 1 . 2]" 1
132 1 21 GLN HE21 1 22 ALA MB . . 5.130 5.248 5.149 5.337 0.207 14 0 "[ . 1 . 2]" 1
133 1 21 GLN QG 1 22 ALA H . . 4.810 2.473 1.880 4.275 . 0 0 "[ . 1 . 2]" 1
134 1 22 ALA H 1 22 ALA MB . . 3.650 2.217 2.146 2.321 . 0 0 "[ . 1 . 2]" 1
135 1 22 ALA H 1 23 GLY HA2 . . 5.500 4.535 4.279 4.751 . 0 0 "[ . 1 . 2]" 1
136 1 22 ALA H 1 23 GLY HA3 . . 5.500 4.907 4.704 5.064 . 0 0 "[ . 1 . 2]" 1
137 1 22 ALA H 1 24 PHE H . . 5.060 4.007 3.743 4.249 . 0 0 "[ . 1 . 2]" 1
138 1 22 ALA MB 1 23 GLY H . . 4.120 2.750 2.674 2.832 . 0 0 "[ . 1 . 2]" 1
139 1 22 ALA MB 1 24 PHE H . . 4.540 2.551 2.407 2.673 . 0 0 "[ . 1 . 2]" 1
140 1 22 ALA MB 1 26 PHE QD . . 4.620 4.733 4.654 4.827 0.207 18 0 "[ . 1 . 2]" 1
141 1 24 PHE HA 1 25 SER H . . 2.970 2.184 2.084 2.399 . 0 0 "[ . 1 . 2]" 1
142 1 24 PHE HB2 1 25 SER H . . 4.090 3.921 2.376 4.139 0.049 8 0 "[ . 1 . 2]" 1
143 1 24 PHE HB3 1 25 SER H . . 4.260 3.015 2.680 3.968 . 0 0 "[ . 1 . 2]" 1
144 1 25 SER H 1 25 SER QB . . 3.500 2.736 2.281 2.958 . 0 0 "[ . 1 . 2]" 1
145 1 25 SER HA 1 26 PHE H . . 3.290 2.180 2.119 2.245 . 0 0 "[ . 1 . 2]" 1
146 1 25 SER QB 1 26 PHE H . . 4.230 3.188 2.662 3.761 . 0 0 "[ . 1 . 2]" 1
147 1 26 PHE H 1 26 PHE QD . . 4.170 3.139 2.879 3.454 . 0 0 "[ . 1 . 2]" 1
148 1 26 PHE H 1 27 ASP H . . 4.970 4.266 4.143 4.391 . 0 0 "[ . 1 . 2]" 1
149 1 26 PHE HA 1 26 PHE QD . . 4.130 2.923 2.731 3.102 . 0 0 "[ . 1 . 2]" 1
150 1 26 PHE HA 1 26 PHE QE . . 5.500 4.620 4.529 4.708 . 0 0 "[ . 1 . 2]" 1
151 1 26 PHE QB 1 27 ASP H . . 3.740 3.175 2.827 3.369 . 0 0 "[ . 1 . 2]" 1
152 1 26 PHE QB 1 87 TYR QE . . 4.980 4.114 3.506 5.012 0.032 4 0 "[ . 1 . 2]" 1
153 1 26 PHE QD 1 27 ASP H . . 4.760 4.018 3.761 4.413 . 0 0 "[ . 1 . 2]" 1
154 1 26 PHE QD 1 146 ALA HA . . 4.400 3.290 2.516 4.370 . 0 0 "[ . 1 . 2]" 1
155 1 26 PHE QE 1 87 TYR QD . . 4.580 4.227 3.974 4.426 . 0 0 "[ . 1 . 2]" 1
156 1 26 PHE QE 1 87 TYR QE . . 4.010 2.099 1.917 2.562 . 0 0 "[ . 1 . 2]" 1
157 1 27 ASP H 1 27 ASP QB . . 3.500 2.718 2.263 3.021 . 0 0 "[ . 1 . 2]" 1
158 1 27 ASP H 1 28 LEU H . . 4.930 4.256 4.162 4.390 . 0 0 "[ . 1 . 2]" 1
159 1 27 ASP H 1 28 LEU HA . . 5.230 4.797 4.623 4.979 . 0 0 "[ . 1 . 2]" 1
160 1 27 ASP H 1 29 THR H . . 5.440 5.093 4.931 5.309 . 0 0 "[ . 1 . 2]" 1
161 1 27 ASP HA 1 28 LEU H . . 3.080 2.084 1.984 2.205 . 0 0 "[ . 1 . 2]" 1
162 1 27 ASP HA 1 28 LEU HA . . 4.950 4.271 4.212 4.351 . 0 0 "[ . 1 . 2]" 1
163 1 27 ASP HA 1 29 THR H . . 4.330 3.279 2.996 3.676 . 0 0 "[ . 1 . 2]" 1
164 1 27 ASP QB 1 28 LEU H . . 4.210 3.441 3.205 3.940 . 0 0 "[ . 1 . 2]" 1
165 1 28 LEU H 1 28 LEU HG . . 4.180 3.487 2.807 4.260 0.080 12 0 "[ . 1 . 2]" 1
166 1 28 LEU H 1 29 THR H . . 3.400 2.370 2.192 2.642 . 0 0 "[ . 1 . 2]" 1
167 1 28 LEU H 1 29 THR HA . . 5.370 4.342 4.220 4.461 . 0 0 "[ . 1 . 2]" 1
168 1 28 LEU HA 1 30 PRO HD2 . . 5.050 2.834 2.597 3.120 . 0 0 "[ . 1 . 2]" 1
169 1 28 LEU HA 1 31 LEU H . . 5.270 3.637 3.470 3.751 . 0 0 "[ . 1 . 2]" 1
170 1 28 LEU HB2 1 31 LEU H . . 5.500 5.261 4.987 5.519 0.019 12 0 "[ . 1 . 2]" 1
171 1 28 LEU HB3 1 31 LEU HB2 . . 5.280 2.762 2.437 2.939 . 0 0 "[ . 1 . 2]" 1
172 1 28 LEU HG 1 145 TYR HB2 . . 5.500 5.373 5.062 5.540 0.040 6 0 "[ . 1 . 2]" 1
173 1 29 THR H 1 30 PRO QB . . 5.290 5.279 5.113 5.332 0.042 8 0 "[ . 1 . 2]" 1
174 1 29 THR H 1 30 PRO HD2 . . 3.650 2.586 2.117 2.959 . 0 0 "[ . 1 . 2]" 1
175 1 29 THR H 1 30 PRO HD3 . . 3.830 2.876 2.478 3.414 . 0 0 "[ . 1 . 2]" 1
176 1 29 THR H 1 31 LEU HB2 . . 4.830 4.916 4.856 4.963 0.133 8 0 "[ . 1 . 2]" 1
177 1 29 THR HA 1 31 LEU H . . 4.430 3.874 3.611 4.024 . 0 0 "[ . 1 . 2]" 1
178 1 29 THR HA 1 31 LEU HB2 . . 5.500 4.706 4.454 4.897 . 0 0 "[ . 1 . 2]" 1
179 1 29 THR HA 1 51 CYS HB3 . . 5.500 5.138 4.263 5.581 0.081 13 0 "[ . 1 . 2]" 1
180 1 29 THR HB 1 30 PRO HD2 . . 4.770 3.636 2.639 4.798 0.028 3 0 "[ . 1 . 2]" 1
181 1 29 THR HB 1 30 PRO HD3 . . 5.220 2.578 1.952 3.681 . 0 0 "[ . 1 . 2]" 1
182 1 29 THR HB 1 31 LEU H . . 5.470 4.825 4.612 5.151 . 0 0 "[ . 1 . 2]" 1
183 1 30 PRO QB 1 145 TYR QE . . 4.770 3.548 3.100 4.174 . 0 0 "[ . 1 . 2]" 1
184 1 30 PRO HD2 1 31 LEU H . . 4.960 2.821 2.522 3.161 . 0 0 "[ . 1 . 2]" 1
185 1 30 PRO HD3 1 31 LEU H . . 4.240 3.884 3.684 4.089 . 0 0 "[ . 1 . 2]" 1
186 1 30 PRO HD3 1 32 THR H . . 5.500 5.438 5.240 5.599 0.099 20 0 "[ . 1 . 2]" 1
187 1 30 PRO QG 1 145 TYR QD . . 4.930 3.559 2.769 4.334 . 0 0 "[ . 1 . 2]" 1
188 1 30 PRO QG 1 145 TYR QE . . 4.130 2.819 2.272 3.658 . 0 0 "[ . 1 . 2]" 1
189 1 31 LEU H 1 31 LEU HB2 . . 3.390 2.292 2.238 2.342 . 0 0 "[ . 1 . 2]" 1
190 1 31 LEU H 1 31 LEU HG . . 4.530 3.886 3.769 4.012 . 0 0 "[ . 1 . 2]" 1
191 1 31 LEU HA 1 31 LEU HG . . 3.920 3.246 2.534 3.839 . 0 0 "[ . 1 . 2]" 1
192 1 31 LEU HA 1 37 TYR HH . . 4.830 2.531 2.115 2.902 . 0 0 "[ . 1 . 2]" 1
193 1 31 LEU HA 1 124 VAL HA . . 5.500 4.735 4.393 5.115 . 0 0 "[ . 1 . 2]" 1
194 1 31 LEU HA 1 124 VAL HB . . 5.220 4.708 3.515 5.298 0.078 20 0 "[ . 1 . 2]" 1
195 1 31 LEU HB2 1 31 LEU HG . . 3.000 2.697 2.410 3.016 0.016 1 0 "[ . 1 . 2]" 1
196 1 31 LEU HB2 1 32 THR H . . 4.290 3.239 2.998 3.480 . 0 0 "[ . 1 . 2]" 1
197 1 31 LEU HB3 1 32 THR H . . 4.340 3.969 3.809 4.099 . 0 0 "[ . 1 . 2]" 1
198 1 31 LEU HG 1 141 TRP HE1 . . 5.240 3.919 3.147 4.622 . 0 0 "[ . 1 . 2]" 1
199 1 31 LEU HG 1 141 TRP HZ2 . . 4.660 3.951 3.250 4.676 0.016 17 0 "[ . 1 . 2]" 1
200 1 31 LEU HG 1 145 TYR H . . 5.500 5.497 5.339 5.547 0.047 11 0 "[ . 1 . 2]" 1
201 1 32 THR H 1 32 THR HB . . 3.190 2.517 2.436 2.626 . 0 0 "[ . 1 . 2]" 1
202 1 32 THR H 1 33 LYS H . . 4.970 4.515 4.391 4.638 . 0 0 "[ . 1 . 2]" 1
203 1 32 THR H 1 50 VAL HB . . 4.490 3.577 3.237 3.886 . 0 0 "[ . 1 . 2]" 1
204 1 32 THR HA 1 33 LYS H . . 3.340 2.103 2.050 2.155 . 0 0 "[ . 1 . 2]" 1
205 1 32 THR HA 1 33 LYS HB3 . . 5.500 5.598 5.559 5.620 0.120 20 0 "[ . 1 . 2]" 1
206 1 32 THR HA 1 37 TYR QD . . 4.910 4.950 4.881 5.001 0.091 7 0 "[ . 1 . 2]" 1
207 1 32 THR HA 1 37 TYR QE . . 4.470 3.640 3.340 3.959 . 0 0 "[ . 1 . 2]" 1
208 1 32 THR HA 1 50 VAL H . . 4.210 2.807 2.572 3.099 . 0 0 "[ . 1 . 2]" 1
209 1 32 THR HA 1 50 VAL HB . . 4.140 2.638 2.399 3.045 . 0 0 "[ . 1 . 2]" 1
210 1 32 THR HB 1 33 LYS H . . 4.430 4.121 4.030 4.260 . 0 0 "[ . 1 . 2]" 1
211 1 33 LYS H 1 33 LYS HB3 . . 3.930 3.731 3.609 3.782 . 0 0 "[ . 1 . 2]" 1
212 1 33 LYS H 1 33 LYS HG2 . . 5.420 4.154 4.028 4.349 . 0 0 "[ . 1 . 2]" 1
213 1 33 LYS H 1 33 LYS HG3 . . 5.310 3.237 3.007 3.433 . 0 0 "[ . 1 . 2]" 1
214 1 33 LYS H 1 37 TYR QE . . 3.980 3.279 2.908 3.753 . 0 0 "[ . 1 . 2]" 1
215 1 33 LYS H 1 50 VAL H . . 4.550 3.444 3.178 3.730 . 0 0 "[ . 1 . 2]" 1
216 1 33 LYS HA 1 33 LYS QD . . 5.130 4.064 3.870 4.260 . 0 0 "[ . 1 . 2]" 1
217 1 33 LYS HA 1 33 LYS QE . . 5.340 4.545 3.795 5.056 . 0 0 "[ . 1 . 2]" 1
218 1 33 LYS HB2 1 33 LYS QD . . 3.650 2.410 2.349 2.475 . 0 0 "[ . 1 . 2]" 1
219 1 33 LYS HB2 1 33 LYS QE . . 5.020 3.595 2.627 4.055 . 0 0 "[ . 1 . 2]" 1
220 1 33 LYS HB2 1 34 LYS H . . 5.240 4.008 3.935 4.089 . 0 0 "[ . 1 . 2]" 1
221 1 33 LYS HB2 1 35 ASP H . . 4.490 3.956 3.638 4.202 . 0 0 "[ . 1 . 2]" 1
222 1 33 LYS HB2 1 35 ASP QB . . 5.170 4.061 3.228 4.576 . 0 0 "[ . 1 . 2]" 1
223 1 33 LYS HB2 1 36 ALA H . . 4.120 2.438 2.197 2.660 . 0 0 "[ . 1 . 2]" 1
224 1 33 LYS HB2 1 36 ALA HA . . 5.100 2.358 2.043 2.943 . 0 0 "[ . 1 . 2]" 1
225 1 33 LYS HB2 1 37 TYR H . . 4.680 4.438 4.296 4.682 0.002 17 0 "[ . 1 . 2]" 1
226 1 33 LYS HB2 1 37 TYR QD . . 5.360 3.336 3.193 3.480 . 0 0 "[ . 1 . 2]" 1
227 1 33 LYS HB2 1 37 TYR QE . . 5.410 2.958 2.744 3.260 . 0 0 "[ . 1 . 2]" 1
228 1 33 LYS HB3 1 33 LYS QD . . 3.530 2.534 2.271 2.944 . 0 0 "[ . 1 . 2]" 1
229 1 33 LYS HB3 1 33 LYS QE . . 4.710 3.290 1.875 4.193 . 0 0 "[ . 1 . 2]" 1
230 1 33 LYS HB3 1 33 LYS HG2 . . 2.590 2.468 2.430 2.506 . 0 0 "[ . 1 . 2]" 1
231 1 33 LYS HB3 1 34 LYS H . . 5.500 2.895 2.781 3.000 . 0 0 "[ . 1 . 2]" 1
232 1 33 LYS HB3 1 35 ASP H . . 4.260 2.638 2.329 2.905 . 0 0 "[ . 1 . 2]" 1
233 1 33 LYS HB3 1 35 ASP HA . . 5.500 4.850 4.434 5.107 . 0 0 "[ . 1 . 2]" 1
234 1 33 LYS HB3 1 36 ALA H . . 4.300 2.304 2.024 2.556 . 0 0 "[ . 1 . 2]" 1
235 1 33 LYS HB3 1 36 ALA HA . . 4.690 3.557 3.076 4.155 . 0 0 "[ . 1 . 2]" 1
236 1 33 LYS HB3 1 37 TYR QD . . 5.010 4.925 4.743 5.031 0.021 10 0 "[ . 1 . 2]" 1
237 1 33 LYS QD 1 35 ASP H . . 4.970 4.580 3.907 5.063 0.093 6 0 "[ . 1 . 2]" 1
238 1 33 LYS QD 1 36 ALA H . . 4.520 3.811 3.490 4.062 . 0 0 "[ . 1 . 2]" 1
239 1 33 LYS QD 1 37 TYR QD . . 4.750 3.383 3.036 3.682 . 0 0 "[ . 1 . 2]" 1
240 1 33 LYS QD 1 37 TYR QE . . 4.500 2.816 2.541 3.100 . 0 0 "[ . 1 . 2]" 1
241 1 33 LYS QE 1 37 TYR QE . . 4.360 3.579 2.908 4.403 0.043 10 0 "[ . 1 . 2]" 1
242 1 33 LYS HG2 1 34 LYS H . . 4.620 4.134 3.943 4.342 . 0 0 "[ . 1 . 2]" 1
243 1 33 LYS HG2 1 35 ASP H . . 5.450 4.777 4.432 5.105 . 0 0 "[ . 1 . 2]" 1
244 1 33 LYS HG2 1 35 ASP QB . . 5.280 4.708 4.070 5.288 0.008 6 0 "[ . 1 . 2]" 1
245 1 33 LYS HG2 1 37 TYR QD . . 5.430 5.483 5.345 5.565 0.135 17 0 "[ . 1 . 2]" 1
246 1 33 LYS HG3 1 37 TYR QE . . 5.170 2.357 2.127 2.602 . 0 0 "[ . 1 . 2]" 1
247 1 34 LYS H 1 34 LYS HB2 . . 3.740 2.377 2.231 2.544 . 0 0 "[ . 1 . 2]" 1
248 1 34 LYS H 1 35 ASP H . . 4.210 2.355 2.239 2.452 . 0 0 "[ . 1 . 2]" 1
249 1 34 LYS HA 1 34 LYS QD . . 4.990 3.421 1.941 4.249 . 0 0 "[ . 1 . 2]" 1
250 1 34 LYS HA 1 34 LYS QE . . 4.780 3.637 1.736 4.854 0.074 15 0 "[ . 1 . 2]" 1
251 1 34 LYS HA 1 35 ASP HA . . 5.500 4.793 4.643 4.927 . 0 0 "[ . 1 . 2]" 1
252 1 34 LYS HA 1 49 ASN HD21 . . 5.430 4.451 4.146 4.825 . 0 0 "[ . 1 . 2]" 1
253 1 34 LYS HB2 1 34 LYS QD . . 3.050 2.512 2.398 2.893 . 0 0 "[ . 1 . 2]" 1
254 1 34 LYS HB2 1 34 LYS QE . . 4.440 3.393 1.963 4.215 . 0 0 "[ . 1 . 2]" 1
255 1 34 LYS HB2 1 35 ASP H . . 3.410 3.283 2.697 3.574 0.164 13 0 "[ . 1 . 2]" 1
256 1 34 LYS HB2 1 35 ASP QB . . 5.340 5.083 4.100 5.464 0.124 9 0 "[ . 1 . 2]" 1
257 1 34 LYS QD 1 34 LYS QG . . 2.370 2.041 1.999 2.098 . 0 0 "[ . 1 . 2]" 1
258 1 34 LYS QE 1 55 SER HB2 . . 5.010 3.951 2.195 5.063 0.053 19 0 "[ . 1 . 2]" 1
259 1 34 LYS QE 1 55 SER QB . . 4.180 3.393 1.980 4.228 0.048 18 0 "[ . 1 . 2]" 1
260 1 34 LYS QE 1 55 SER HB3 . . 5.010 3.784 2.253 4.924 . 0 0 "[ . 1 . 2]" 1
261 1 34 LYS QG 1 35 ASP H . . 4.340 3.877 3.454 4.487 0.147 18 0 "[ . 1 . 2]" 1
262 1 34 LYS QG 1 55 SER QB . . 4.510 2.988 2.088 4.165 . 0 0 "[ . 1 . 2]" 1
263 1 35 ASP H 1 35 ASP QB . . 3.610 2.338 2.234 2.566 . 0 0 "[ . 1 . 2]" 1
264 1 35 ASP H 1 36 ALA H . . 3.780 2.415 2.184 2.639 . 0 0 "[ . 1 . 2]" 1
265 1 35 ASP HA 1 36 ALA MB . . 5.380 3.997 3.802 4.118 . 0 0 "[ . 1 . 2]" 1
266 1 35 ASP QB 1 36 ALA H . . 3.670 2.880 2.587 3.162 . 0 0 "[ . 1 . 2]" 1
267 1 36 ALA H 1 36 ALA MB . . 3.650 2.877 2.806 2.938 . 0 0 "[ . 1 . 2]" 1
268 1 36 ALA H 1 37 TYR H . . 4.860 4.536 4.351 4.592 . 0 0 "[ . 1 . 2]" 1
269 1 36 ALA H 1 37 TYR QD . . 5.060 4.697 4.384 4.866 . 0 0 "[ . 1 . 2]" 1
270 1 36 ALA HA 1 37 TYR H . . 3.490 2.596 2.342 2.757 . 0 0 "[ . 1 . 2]" 1
271 1 36 ALA HA 1 37 TYR QD . . 4.500 2.808 2.618 2.946 . 0 0 "[ . 1 . 2]" 1
272 1 36 ALA HA 1 48 ILE H . . 5.500 5.376 5.019 5.530 0.030 6 0 "[ . 1 . 2]" 1
273 1 36 ALA HA 1 49 ASN HB3 . . 5.160 4.898 4.672 5.004 . 0 0 "[ . 1 . 2]" 1
274 1 36 ALA HA 1 55 SER H . . 5.280 5.088 4.577 5.321 0.041 16 0 "[ . 1 . 2]" 1
275 1 36 ALA MB 1 37 TYR H . . 3.540 2.002 1.791 2.410 . 0 0 "[ . 1 . 2]" 1
276 1 36 ALA MB 1 37 TYR QD . . 4.940 3.621 3.203 4.067 . 0 0 "[ . 1 . 2]" 1
277 1 36 ALA MB 1 47 HIS HA . . 4.470 4.163 3.733 4.417 . 0 0 "[ . 1 . 2]" 1
278 1 36 ALA MB 1 47 HIS HB2 . . 5.500 4.835 4.093 5.294 . 0 0 "[ . 1 . 2]" 1
279 1 36 ALA MB 1 47 HIS HB3 . . 5.010 3.636 2.692 4.409 . 0 0 "[ . 1 . 2]" 1
280 1 36 ALA MB 1 48 ILE H . . 3.990 3.337 3.160 3.541 . 0 0 "[ . 1 . 2]" 1
281 1 36 ALA MB 1 48 ILE HA . . 5.310 4.104 3.845 4.514 . 0 0 "[ . 1 . 2]" 1
282 1 36 ALA MB 1 49 ASN HB3 . . 4.750 3.869 3.436 4.566 . 0 0 "[ . 1 . 2]" 1
283 1 36 ALA MB 1 54 VAL HA . . 4.470 3.271 2.788 3.654 . 0 0 "[ . 1 . 2]" 1
284 1 36 ALA MB 1 54 VAL HB . . 4.100 3.840 3.279 4.110 0.010 12 0 "[ . 1 . 2]" 1
285 1 36 ALA MB 1 55 SER H . . 4.550 2.938 2.469 3.170 . 0 0 "[ . 1 . 2]" 1
286 1 37 TYR H 1 37 TYR HB2 . . 3.910 2.446 2.401 2.498 . 0 0 "[ . 1 . 2]" 1
287 1 37 TYR H 1 37 TYR HB3 . . 4.200 3.639 3.608 3.674 . 0 0 "[ . 1 . 2]" 1
288 1 37 TYR H 1 37 TYR QD . . 3.430 2.432 2.310 2.533 . 0 0 "[ . 1 . 2]" 1
289 1 37 TYR H 1 37 TYR QE . . 4.610 4.630 4.530 4.683 0.073 18 0 "[ . 1 . 2]" 1
290 1 37 TYR H 1 48 ILE H . . 3.890 3.055 2.925 3.182 . 0 0 "[ . 1 . 2]" 1
291 1 37 TYR H 1 49 ASN HA . . 5.350 3.234 3.031 3.393 . 0 0 "[ . 1 . 2]" 1
292 1 37 TYR HA 1 37 TYR QD . . 4.470 3.185 3.146 3.230 . 0 0 "[ . 1 . 2]" 1
293 1 37 TYR HA 1 38 LYS H . . 3.070 2.221 2.148 2.374 . 0 0 "[ . 1 . 2]" 1
294 1 37 TYR HB2 1 38 LYS H . . 4.590 4.135 3.951 4.304 . 0 0 "[ . 1 . 2]" 1
295 1 37 TYR HB2 1 48 ILE H . . 4.460 3.389 3.258 3.515 . 0 0 "[ . 1 . 2]" 1
296 1 37 TYR HB2 1 48 ILE HB . . 5.020 5.033 4.810 5.080 0.060 8 0 "[ . 1 . 2]" 1
297 1 37 TYR HB2 1 48 ILE HG12 . . 5.500 2.830 2.644 2.980 . 0 0 "[ . 1 . 2]" 1
298 1 37 TYR HB2 1 127 PRO HB2 . . 5.450 5.171 4.871 5.447 . 0 0 "[ . 1 . 2]" 1
299 1 37 TYR HB2 1 127 PRO QD . . 5.040 3.758 3.332 4.471 . 0 0 "[ . 1 . 2]" 1
300 1 37 TYR HB2 1 127 PRO HG2 . . 5.280 3.777 3.541 4.113 . 0 0 "[ . 1 . 2]" 1
301 1 37 TYR HB2 1 127 PRO HG3 . . 4.760 2.781 2.554 2.995 . 0 0 "[ . 1 . 2]" 1
302 1 37 TYR HB3 1 38 LYS H . . 4.040 3.150 2.868 3.501 . 0 0 "[ . 1 . 2]" 1
303 1 37 TYR HB3 1 48 ILE H . . 5.040 4.501 4.356 4.598 . 0 0 "[ . 1 . 2]" 1
304 1 37 TYR HB3 1 127 PRO HB2 . . 5.380 4.859 4.149 5.224 . 0 0 "[ . 1 . 2]" 1
305 1 37 TYR HB3 1 127 PRO QD . . 5.050 2.757 2.280 3.372 . 0 0 "[ . 1 . 2]" 1
306 1 37 TYR HB3 1 127 PRO HG2 . . 5.280 2.882 2.624 3.158 . 0 0 "[ . 1 . 2]" 1
307 1 37 TYR HB3 1 127 PRO HG3 . . 4.750 2.559 2.057 3.018 . 0 0 "[ . 1 . 2]" 1
308 1 37 TYR QD 1 38 LYS H . . 4.710 4.355 4.051 4.622 . 0 0 "[ . 1 . 2]" 1
309 1 37 TYR QD 1 48 ILE H . . 5.230 4.862 4.714 4.991 . 0 0 "[ . 1 . 2]" 1
310 1 37 TYR QD 1 48 ILE HG12 . . 4.900 4.748 4.637 4.902 0.002 15 0 "[ . 1 . 2]" 1
311 1 37 TYR QD 1 49 ASN HA . . 3.830 2.713 2.444 2.878 . 0 0 "[ . 1 . 2]" 1
312 1 37 TYR QD 1 49 ASN HB2 . . 4.930 4.479 4.250 4.773 . 0 0 "[ . 1 . 2]" 1
313 1 37 TYR QD 1 127 PRO HD2 . . 4.950 2.392 2.203 2.610 . 0 0 "[ . 1 . 2]" 1
314 1 37 TYR QD 1 127 PRO QD . . 4.190 2.166 2.013 2.325 . 0 0 "[ . 1 . 2]" 1
315 1 37 TYR QD 1 127 PRO HD3 . . 4.950 2.515 2.141 2.949 . 0 0 "[ . 1 . 2]" 1
316 1 37 TYR QD 1 127 PRO HG3 . . 4.320 3.388 2.397 3.870 . 0 0 "[ . 1 . 2]" 1
317 1 37 TYR QD 1 141 TRP HZ2 . . 4.380 4.136 3.901 4.438 0.058 18 0 "[ . 1 . 2]" 1
318 1 37 TYR QE 1 49 ASN HA . . 4.230 4.085 3.718 4.287 0.057 10 0 "[ . 1 . 2]" 1
319 1 37 TYR QE 1 50 VAL H . . 4.460 3.697 3.246 3.959 . 0 0 "[ . 1 . 2]" 1
320 1 37 TYR QE 1 50 VAL HB . . 4.720 4.386 3.811 4.721 0.001 2 0 "[ . 1 . 2]" 1
321 1 37 TYR QE 1 126 PHE H . . 5.070 5.161 5.110 5.231 0.161 13 0 "[ . 1 . 2]" 1
322 1 37 TYR QE 1 127 PRO QD . . 5.170 3.335 2.917 3.652 . 0 0 "[ . 1 . 2]" 1
323 1 37 TYR QE 1 141 TRP HH2 . . 4.900 2.939 2.746 3.118 . 0 0 "[ . 1 . 2]" 1
324 1 38 LYS H 1 38 LYS HB2 . . 3.350 3.101 3.007 3.202 . 0 0 "[ . 1 . 2]" 1
325 1 38 LYS H 1 38 LYS HB3 . . 3.450 2.632 2.347 2.785 . 0 0 "[ . 1 . 2]" 1
326 1 38 LYS H 1 38 LYS QE . . 5.180 4.793 4.439 5.431 0.251 11 0 "[ . 1 . 2]" 1
327 1 38 LYS H 1 38 LYS HG2 . . 4.490 4.293 4.016 4.393 . 0 0 "[ . 1 . 2]" 1
328 1 38 LYS HA 1 38 LYS HD2 . . 5.500 4.576 4.394 4.666 . 0 0 "[ . 1 . 2]" 1
329 1 38 LYS HA 1 38 LYS HE2 . . 5.500 4.908 4.550 5.342 . 0 0 "[ . 1 . 2]" 1
330 1 38 LYS HA 1 38 LYS HE3 . . 5.500 4.775 4.568 5.255 . 0 0 "[ . 1 . 2]" 1
331 1 38 LYS HA 1 38 LYS HG2 . . 4.150 2.923 2.795 3.161 . 0 0 "[ . 1 . 2]" 1
332 1 38 LYS HA 1 38 LYS HG3 . . 3.980 2.699 2.623 2.784 . 0 0 "[ . 1 . 2]" 1
333 1 38 LYS HA 1 39 VAL H . . 3.150 2.076 2.003 2.122 . 0 0 "[ . 1 . 2]" 1
334 1 38 LYS HA 1 39 VAL HB . . 5.500 4.572 4.445 4.656 . 0 0 "[ . 1 . 2]" 1
335 1 38 LYS HA 1 46 PHE H . . 4.810 4.226 4.039 4.468 . 0 0 "[ . 1 . 2]" 1
336 1 38 LYS HA 1 47 HIS H . . 5.500 4.586 4.493 4.711 . 0 0 "[ . 1 . 2]" 1
337 1 38 LYS HA 1 47 HIS HA . . 4.030 2.233 2.036 2.344 . 0 0 "[ . 1 . 2]" 1
338 1 38 LYS HB2 1 38 LYS HD2 . . 3.200 3.142 2.591 3.287 0.087 18 0 "[ . 1 . 2]" 1
339 1 38 LYS HB2 1 38 LYS HE2 . . 4.770 3.226 2.696 4.456 . 0 0 "[ . 1 . 2]" 1
340 1 38 LYS HB2 1 38 LYS QE . . 4.080 2.601 2.198 3.954 . 0 0 "[ . 1 . 2]" 1
341 1 38 LYS HB2 1 38 LYS HE3 . . 4.770 2.770 2.295 4.420 . 0 0 "[ . 1 . 2]" 1
342 1 38 LYS HB2 1 39 VAL H . . 4.650 4.065 3.878 4.153 . 0 0 "[ . 1 . 2]" 1
343 1 38 LYS HB2 1 47 HIS HE1 . . 5.230 2.512 2.386 2.895 . 0 0 "[ . 1 . 2]" 1
344 1 38 LYS HB3 1 38 LYS HD2 . . 3.010 2.484 2.275 3.046 0.036 11 0 "[ . 1 . 2]" 1
345 1 38 LYS HB3 1 38 LYS HE2 . . 5.500 3.645 3.515 3.773 . 0 0 "[ . 1 . 2]" 1
346 1 38 LYS HB3 1 38 LYS QE . . 4.820 2.665 2.253 3.565 . 0 0 "[ . 1 . 2]" 1
347 1 38 LYS HB3 1 38 LYS HE3 . . 5.500 2.868 2.278 4.387 . 0 0 "[ . 1 . 2]" 1
348 1 38 LYS HB3 1 39 VAL H . . 4.160 4.164 4.051 4.241 0.081 19 0 "[ . 1 . 2]" 1
349 1 38 LYS HB3 1 47 HIS HE1 . . 3.540 3.653 3.599 3.715 0.175 3 0 "[ . 1 . 2]" 1
350 1 38 LYS HD2 1 47 HIS HE1 . . 4.360 3.919 2.178 4.413 0.053 16 0 "[ . 1 . 2]" 1
351 1 38 LYS QE 1 47 HIS HE1 . . 4.390 2.453 1.879 4.426 0.036 5 0 "[ . 1 . 2]" 1
352 1 38 LYS HE2 1 47 HIS HE1 . . 5.210 2.867 2.070 5.149 . 0 0 "[ . 1 . 2]" 1
353 1 38 LYS HE3 1 47 HIS HE1 . . 5.210 2.699 2.025 4.823 . 0 0 "[ . 1 . 2]" 1
354 1 38 LYS HG2 1 39 VAL H . . 5.230 2.740 2.377 3.181 . 0 0 "[ . 1 . 2]" 1
355 1 38 LYS HG2 1 40 GLU HA . . 5.200 3.949 3.711 4.419 . 0 0 "[ . 1 . 2]" 1
356 1 38 LYS HG2 1 40 GLU HG2 . . 5.500 3.281 2.876 4.900 . 0 0 "[ . 1 . 2]" 1
357 1 38 LYS HG2 1 40 GLU HG3 . . 5.500 2.798 2.408 3.336 . 0 0 "[ . 1 . 2]" 1
358 1 38 LYS HG2 1 46 PHE H . . 4.640 3.595 3.259 4.233 . 0 0 "[ . 1 . 2]" 1
359 1 38 LYS HG3 1 39 VAL H . . 5.010 3.216 2.964 3.407 . 0 0 "[ . 1 . 2]" 1
360 1 38 LYS HG3 1 39 VAL HB . . 5.400 5.413 5.294 5.451 0.051 20 0 "[ . 1 . 2]" 1
361 1 38 LYS HG3 1 40 GLU HA . . 5.500 4.945 4.807 5.032 . 0 0 "[ . 1 . 2]" 1
362 1 38 LYS HG3 1 46 PHE H . . 4.210 3.593 3.396 3.768 . 0 0 "[ . 1 . 2]" 1
363 1 38 LYS HG3 1 47 HIS H . . 4.490 4.654 4.593 4.695 0.205 13 0 "[ . 1 . 2]" 1
364 1 38 LYS HG3 1 47 HIS HA . . 5.080 3.652 3.365 3.946 . 0 0 "[ . 1 . 2]" 1
365 1 38 LYS HG3 1 47 HIS HE1 . . 4.200 3.718 3.181 4.157 . 0 0 "[ . 1 . 2]" 1
366 1 39 VAL H 1 39 VAL HB . . 3.600 2.562 2.479 2.634 . 0 0 "[ . 1 . 2]" 1
367 1 39 VAL H 1 45 GLU HA . . 4.710 4.567 4.363 4.697 . 0 0 "[ . 1 . 2]" 1
368 1 39 VAL H 1 46 PHE H . . 3.840 2.774 2.645 2.895 . 0 0 "[ . 1 . 2]" 1
369 1 39 VAL H 1 46 PHE HA . . 4.800 4.596 4.483 4.679 . 0 0 "[ . 1 . 2]" 1
370 1 39 VAL H 1 46 PHE QB . . 5.100 3.092 2.988 3.186 . 0 0 "[ . 1 . 2]" 1
371 1 39 VAL HA 1 40 GLU H . . 2.890 2.247 2.182 2.325 . 0 0 "[ . 1 . 2]" 1
372 1 39 VAL HB 1 40 GLU H . . 3.830 3.884 3.854 3.917 0.087 1 0 "[ . 1 . 2]" 1
373 1 39 VAL HB 1 46 PHE H . . 4.050 2.989 2.767 3.274 . 0 0 "[ . 1 . 2]" 1
374 1 39 VAL HB 1 46 PHE HB2 . . 4.180 2.208 1.957 2.467 . 0 0 "[ . 1 . 2]" 1
375 1 39 VAL HB 1 46 PHE QB . . 3.570 2.197 1.950 2.450 . 0 0 "[ . 1 . 2]" 1
376 1 39 VAL HB 1 46 PHE HB3 . . 4.180 3.929 3.677 4.198 0.018 14 0 "[ . 1 . 2]" 1
377 1 39 VAL HB 1 46 PHE QD . . 4.850 2.783 2.318 3.188 . 0 0 "[ . 1 . 2]" 1
378 1 39 VAL HB 1 46 PHE QE . . 5.150 4.865 4.513 5.147 . 0 0 "[ . 1 . 2]" 1
379 1 39 VAL HB 1 129 TYR H . . 5.500 4.534 4.027 5.053 . 0 0 "[ . 1 . 2]" 1
380 1 39 VAL HB 1 139 PHE QE . . 5.240 2.706 2.509 2.982 . 0 0 "[ . 1 . 2]" 1
381 1 40 GLU H 1 40 GLU HB2 . . 3.350 2.609 2.542 2.779 . 0 0 "[ . 1 . 2]" 1
382 1 40 GLU H 1 40 GLU QG . . 5.020 2.907 2.711 3.609 . 0 0 "[ . 1 . 2]" 1
383 1 40 GLU HA 1 40 GLU QG . . 3.710 2.441 2.377 2.619 . 0 0 "[ . 1 . 2]" 1
384 1 40 GLU HA 1 41 THR H . . 3.200 2.217 2.140 2.265 . 0 0 "[ . 1 . 2]" 1
385 1 40 GLU HA 1 45 GLU HA . . 4.400 2.288 2.053 2.519 . 0 0 "[ . 1 . 2]" 1
386 1 40 GLU HA 1 45 GLU HB3 . . 5.500 3.349 2.951 3.617 . 0 0 "[ . 1 . 2]" 1
387 1 40 GLU HA 1 46 PHE H . . 4.280 3.488 3.298 3.642 . 0 0 "[ . 1 . 2]" 1
388 1 40 GLU QG 1 41 THR H . . 4.290 4.017 3.800 4.295 0.005 12 0 "[ . 1 . 2]" 1
389 1 41 THR H 1 41 THR HB . . 4.180 3.748 3.685 3.818 . 0 0 "[ . 1 . 2]" 1
390 1 41 THR H 1 42 ASP H . . 4.480 4.172 4.120 4.227 . 0 0 "[ . 1 . 2]" 1
391 1 41 THR H 1 43 LYS HA . . 5.500 5.609 5.426 5.710 0.210 12 0 "[ . 1 . 2]" 1
392 1 41 THR H 1 44 TYR H . . 4.110 3.303 3.069 3.614 . 0 0 "[ . 1 . 2]" 1
393 1 41 THR H 1 45 GLU HA . . 4.360 3.098 2.960 3.244 . 0 0 "[ . 1 . 2]" 1
394 1 41 THR H 1 45 GLU HB2 . . 5.270 4.915 4.592 5.042 . 0 0 "[ . 1 . 2]" 1
395 1 41 THR H 1 46 PHE H . . 4.870 4.870 4.699 4.930 0.060 6 0 "[ . 1 . 2]" 1
396 1 41 THR H 1 70 ARG HD2 . . 5.180 4.262 3.374 5.317 0.137 6 0 "[ . 1 . 2]" 1
397 1 41 THR H 1 70 ARG HD3 . . 5.330 4.876 4.068 5.393 0.063 11 0 "[ . 1 . 2]" 1
398 1 41 THR HA 1 42 ASP H . . 3.510 2.836 2.764 2.921 . 0 0 "[ . 1 . 2]" 1
399 1 41 THR HA 1 43 LYS H . . 5.500 4.892 4.573 5.194 . 0 0 "[ . 1 . 2]" 1
400 1 41 THR HA 1 44 TYR H . . 5.390 4.797 4.675 4.912 . 0 0 "[ . 1 . 2]" 1
401 1 41 THR HB 1 42 ASP H . . 3.160 1.972 1.889 2.062 . 0 0 "[ . 1 . 2]" 1
402 1 41 THR HB 1 42 ASP HA . . 4.740 4.652 4.577 4.743 0.003 7 0 "[ . 1 . 2]" 1
403 1 41 THR HB 1 42 ASP QB . . 4.260 3.951 3.764 4.088 . 0 0 "[ . 1 . 2]" 1
404 1 41 THR HB 1 43 LYS H . . 4.270 3.605 3.319 3.884 . 0 0 "[ . 1 . 2]" 1
405 1 41 THR HB 1 44 TYR H . . 4.500 3.793 3.690 3.933 . 0 0 "[ . 1 . 2]" 1
406 1 41 THR HB 1 129 TYR QD . . 5.270 4.722 4.507 5.013 . 0 0 "[ . 1 . 2]" 1
407 1 42 ASP H 1 42 ASP QB . . 3.390 2.419 2.258 2.545 . 0 0 "[ . 1 . 2]" 1
408 1 42 ASP H 1 43 LYS H . . 4.130 2.752 2.620 2.962 . 0 0 "[ . 1 . 2]" 1
409 1 42 ASP H 1 44 TYR H . . 5.020 3.784 3.652 3.857 . 0 0 "[ . 1 . 2]" 1
410 1 42 ASP H 1 44 TYR HB2 . . 5.400 5.317 5.090 5.456 0.056 15 0 "[ . 1 . 2]" 1
411 1 42 ASP QB 1 43 LYS QB . . 4.380 3.803 3.430 4.168 . 0 0 "[ . 1 . 2]" 1
412 1 42 ASP QB 1 43 LYS QD . . 4.520 3.544 1.885 4.585 0.065 18 0 "[ . 1 . 2]" 1
413 1 42 ASP QB 1 43 LYS QG . . 4.530 2.962 2.337 4.308 . 0 0 "[ . 1 . 2]" 1
414 1 42 ASP QB 1 44 TYR H . . 5.260 4.358 4.062 4.541 . 0 0 "[ . 1 . 2]" 1
415 1 42 ASP QB 1 44 TYR QD . . 5.070 4.803 4.186 5.128 0.058 15 0 "[ . 1 . 2]" 1
416 1 43 LYS H 1 43 LYS HB2 . . 4.200 2.952 2.617 3.929 . 0 0 "[ . 1 . 2]" 1
417 1 43 LYS H 1 43 LYS QB . . 3.430 2.771 2.572 3.199 . 0 0 "[ . 1 . 2]" 1
418 1 43 LYS H 1 43 LYS HB3 . . 4.200 3.742 3.325 3.935 . 0 0 "[ . 1 . 2]" 1
419 1 43 LYS H 1 44 TYR H . . 3.360 2.038 1.901 2.158 . 0 0 "[ . 1 . 2]" 1
420 1 43 LYS H 1 44 TYR QD . . 5.140 3.017 2.588 3.750 . 0 0 "[ . 1 . 2]" 1
421 1 43 LYS HA 1 43 LYS QD . . 4.500 3.926 3.233 4.499 . 0 0 "[ . 1 . 2]" 1
422 1 43 LYS HA 1 43 LYS QE . . 5.430 4.506 4.039 5.369 . 0 0 "[ . 1 . 2]" 1
423 1 43 LYS HA 1 70 ARG HB3 . . 4.730 4.768 4.666 4.839 0.109 6 0 "[ . 1 . 2]" 1
424 1 43 LYS QB 1 43 LYS QD . . 3.080 2.403 2.136 2.772 . 0 0 "[ . 1 . 2]" 1
425 1 43 LYS QB 1 43 LYS QE . . 3.570 2.187 1.873 3.615 0.045 11 0 "[ . 1 . 2]" 1
426 1 43 LYS QB 1 44 TYR H . . 3.970 3.486 3.172 3.992 0.022 11 0 "[ . 1 . 2]" 1
427 1 43 LYS HB2 1 43 LYS QE . . 4.210 2.375 1.886 4.197 . 0 0 "[ . 1 . 2]" 1
428 1 43 LYS HB2 1 44 TYR QD . . 4.370 2.705 2.025 3.853 . 0 0 "[ . 1 . 2]" 1
429 1 43 LYS HB2 1 44 TYR QE . . 4.540 2.897 2.384 3.947 . 0 0 "[ . 1 . 2]" 1
430 1 43 LYS HB2 1 70 ARG H . . 5.500 5.036 4.057 5.523 0.023 2 0 "[ . 1 . 2]" 1
431 1 43 LYS HB3 1 43 LYS QE . . 4.210 3.051 1.944 3.956 . 0 0 "[ . 1 . 2]" 1
432 1 43 LYS HB3 1 44 TYR QD . . 4.370 3.755 3.077 4.406 0.036 17 0 "[ . 1 . 2]" 1
433 1 43 LYS HB3 1 44 TYR QE . . 4.540 3.800 3.227 4.661 0.121 11 0 "[ . 1 . 2]" 1
434 1 43 LYS HB3 1 70 ARG H . . 5.500 4.590 3.995 5.586 0.086 16 0 "[ . 1 . 2]" 1
435 1 43 LYS QD 1 44 TYR QE . . 4.420 3.886 2.543 4.451 0.031 14 0 "[ . 1 . 2]" 1
436 1 43 LYS QE 1 44 TYR H . . 5.440 4.937 4.201 5.477 0.037 9 0 "[ . 1 . 2]" 1
437 1 43 LYS QE 1 44 TYR QD . . 5.270 3.410 2.564 4.730 . 0 0 "[ . 1 . 2]" 1
438 1 43 LYS QE 1 44 TYR QE . . 5.150 2.540 2.028 4.572 . 0 0 "[ . 1 . 2]" 1
439 1 44 TYR H 1 44 TYR HB3 . . 3.860 3.783 3.743 3.841 . 0 0 "[ . 1 . 2]" 1
440 1 44 TYR H 1 44 TYR QD . . 4.200 2.745 2.566 3.217 . 0 0 "[ . 1 . 2]" 1
441 1 44 TYR H 1 44 TYR QE . . 4.890 4.891 4.789 4.946 0.056 8 0 "[ . 1 . 2]" 1
442 1 44 TYR H 1 45 GLU H . . 4.930 4.387 4.354 4.433 . 0 0 "[ . 1 . 2]" 1
443 1 44 TYR H 1 70 ARG HD2 . . 5.270 4.082 3.199 5.306 0.036 6 0 "[ . 1 . 2]" 1
444 1 44 TYR H 1 70 ARG HD3 . . 4.970 4.175 3.691 4.838 . 0 0 "[ . 1 . 2]" 1
445 1 44 TYR H 1 70 ARG HG2 . . 5.250 3.885 3.491 4.357 . 0 0 "[ . 1 . 2]" 1
446 1 44 TYR HA 1 44 TYR QD . . 3.820 3.068 2.483 3.189 . 0 0 "[ . 1 . 2]" 1
447 1 44 TYR HA 1 44 TYR QE . . 5.270 4.679 4.532 4.782 . 0 0 "[ . 1 . 2]" 1
448 1 44 TYR HA 1 45 GLU H . . 3.430 2.284 2.167 2.342 . 0 0 "[ . 1 . 2]" 1
449 1 44 TYR HA 1 68 VAL H . . 5.310 4.698 4.334 5.055 . 0 0 "[ . 1 . 2]" 1
450 1 44 TYR HA 1 69 SER HA . . 4.440 2.251 2.119 2.393 . 0 0 "[ . 1 . 2]" 1
451 1 44 TYR HA 1 70 ARG H . . 3.870 2.332 1.950 2.821 . 0 0 "[ . 1 . 2]" 1
452 1 44 TYR HA 1 70 ARG HG2 . . 5.210 3.389 3.123 3.883 . 0 0 "[ . 1 . 2]" 1
453 1 44 TYR HB2 1 45 GLU H . . 4.890 3.796 3.672 4.070 . 0 0 "[ . 1 . 2]" 1
454 1 44 TYR HB2 1 46 PHE QE . . 5.190 3.291 2.863 4.175 . 0 0 "[ . 1 . 2]" 1
455 1 44 TYR HB3 1 45 GLU H . . 3.660 2.639 2.437 3.052 . 0 0 "[ . 1 . 2]" 1
456 1 44 TYR HB3 1 46 PHE QD . . 5.300 4.437 3.847 4.921 . 0 0 "[ . 1 . 2]" 1
457 1 44 TYR HB3 1 46 PHE QE . . 4.930 3.786 3.237 4.389 . 0 0 "[ . 1 . 2]" 1
458 1 44 TYR HB3 1 67 GLN HB3 . . 5.490 4.627 4.005 5.124 . 0 0 "[ . 1 . 2]" 1
459 1 44 TYR QD 1 45 GLU H . . 4.230 3.957 3.774 4.242 0.012 6 0 "[ . 1 . 2]" 1
460 1 44 TYR QD 1 67 GLN HB2 . . 4.350 3.443 2.750 4.199 . 0 0 "[ . 1 . 2]" 1
461 1 44 TYR QD 1 67 GLN HB3 . . 5.430 4.874 4.262 5.493 0.063 15 0 "[ . 1 . 2]" 1
462 1 44 TYR QD 1 68 VAL H . . 4.890 4.483 3.900 4.876 . 0 0 "[ . 1 . 2]" 1
463 1 44 TYR QD 1 69 SER H . . 4.900 4.045 3.456 4.671 . 0 0 "[ . 1 . 2]" 1
464 1 44 TYR QD 1 69 SER HA . . 3.460 2.956 2.097 3.492 0.032 4 0 "[ . 1 . 2]" 1
465 1 44 TYR QD 1 69 SER QB . . 4.370 3.104 2.149 4.081 . 0 0 "[ . 1 . 2]" 1
466 1 44 TYR QD 1 70 ARG H . . 4.410 4.343 3.901 4.504 0.094 12 0 "[ . 1 . 2]" 1
467 1 44 TYR QD 1 76 TRP HE3 . . 5.110 3.981 3.647 4.377 . 0 0 "[ . 1 . 2]" 1
468 1 44 TYR QE 1 69 SER H . . 5.440 4.528 4.237 4.978 . 0 0 "[ . 1 . 2]" 1
469 1 44 TYR QE 1 69 SER HA . . 4.320 3.916 3.546 4.259 . 0 0 "[ . 1 . 2]" 1
470 1 44 TYR QE 1 69 SER QB . . 4.210 2.536 2.001 3.744 . 0 0 "[ . 1 . 2]" 1
471 1 44 TYR QE 1 70 ARG H . . 5.430 5.378 5.180 5.483 0.053 20 0 "[ . 1 . 2]" 1
472 1 44 TYR QE 1 71 SER HB2 . . 5.130 4.927 3.981 5.252 0.122 19 0 "[ . 1 . 2]" 1
473 1 44 TYR QE 1 71 SER QB . . 4.500 4.299 3.866 4.563 0.063 7 0 "[ . 1 . 2]" 1
474 1 44 TYR QE 1 71 SER HB3 . . 5.130 4.896 4.549 5.299 0.169 15 0 "[ . 1 . 2]" 1
475 1 44 TYR QE 1 76 TRP HE3 . . 5.200 4.197 3.421 5.210 0.010 15 0 "[ . 1 . 2]" 1
476 1 44 TYR QE 1 76 TRP HH2 . . 4.170 2.670 1.991 3.188 . 0 0 "[ . 1 . 2]" 1
477 1 44 TYR QE 1 76 TRP HZ3 . . 4.080 2.431 1.964 3.030 . 0 0 "[ . 1 . 2]" 1
478 1 45 GLU H 1 45 GLU HB3 . . 4.130 3.150 2.958 3.278 . 0 0 "[ . 1 . 2]" 1
479 1 45 GLU H 1 45 GLU HG2 . . 3.480 2.408 2.141 2.610 . 0 0 "[ . 1 . 2]" 1
480 1 45 GLU H 1 68 VAL H . . 3.790 2.985 2.752 3.233 . 0 0 "[ . 1 . 2]" 1
481 1 45 GLU H 1 70 ARG H . . 4.920 3.722 3.310 4.199 . 0 0 "[ . 1 . 2]" 1
482 1 45 GLU HA 1 45 GLU HG2 . . 4.220 3.790 3.671 3.882 . 0 0 "[ . 1 . 2]" 1
483 1 45 GLU HA 1 46 PHE H . . 3.150 2.177 2.119 2.224 . 0 0 "[ . 1 . 2]" 1
484 1 45 GLU HB3 1 46 PHE H . . 4.240 4.004 3.894 4.115 . 0 0 "[ . 1 . 2]" 1
485 1 45 GLU HG2 1 46 PHE HA . . 4.930 4.997 4.943 5.057 0.127 16 0 "[ . 1 . 2]" 1
486 1 45 GLU HG2 1 68 VAL H . . 4.280 3.195 2.927 3.507 . 0 0 "[ . 1 . 2]" 1
487 1 45 GLU HG2 1 70 ARG H . . 5.280 4.228 3.589 5.023 . 0 0 "[ . 1 . 2]" 1
488 1 45 GLU HG2 1 70 ARG HD2 . . 5.260 4.917 4.381 5.289 0.029 15 0 "[ . 1 . 2]" 1
489 1 45 GLU HG3 1 46 PHE H . . 4.470 3.781 3.585 4.037 . 0 0 "[ . 1 . 2]" 1
490 1 45 GLU HG3 1 46 PHE HA . . 5.210 3.758 3.445 4.140 . 0 0 "[ . 1 . 2]" 1
491 1 45 GLU HG3 1 68 VAL H . . 3.520 3.018 2.783 3.466 . 0 0 "[ . 1 . 2]" 1
492 1 46 PHE H 1 46 PHE HB2 . . 4.200 2.605 2.556 2.663 . 0 0 "[ . 1 . 2]" 1
493 1 46 PHE H 1 46 PHE QB . . 3.560 2.558 2.512 2.611 . 0 0 "[ . 1 . 2]" 1
494 1 46 PHE H 1 46 PHE HB3 . . 4.200 3.730 3.699 3.769 . 0 0 "[ . 1 . 2]" 1
495 1 46 PHE H 1 46 PHE QD . . 4.100 2.592 2.388 3.493 . 0 0 "[ . 1 . 2]" 1
496 1 46 PHE H 1 47 HIS HA . . 5.500 4.715 4.579 4.839 . 0 0 "[ . 1 . 2]" 1
497 1 46 PHE HA 1 46 PHE QE . . 5.260 4.766 4.560 4.837 . 0 0 "[ . 1 . 2]" 1
498 1 46 PHE HA 1 47 HIS H . . 3.100 2.176 2.111 2.216 . 0 0 "[ . 1 . 2]" 1
499 1 46 PHE HA 1 67 GLN HA . . 4.490 2.279 2.108 2.461 . 0 0 "[ . 1 . 2]" 1
500 1 46 PHE HA 1 68 VAL H . . 4.270 3.542 3.175 3.852 . 0 0 "[ . 1 . 2]" 1
501 1 46 PHE QB 1 47 HIS H . . 3.780 3.285 3.212 3.335 . 0 0 "[ . 1 . 2]" 1
502 1 46 PHE QB 1 139 PHE QE . . 5.160 2.358 2.151 2.580 . 0 0 "[ . 1 . 2]" 1
503 1 46 PHE QB 1 139 PHE HZ . . 4.220 2.218 2.089 2.341 . 0 0 "[ . 1 . 2]" 1
504 1 46 PHE QD 1 47 HIS H . . 5.310 4.534 4.231 4.662 . 0 0 "[ . 1 . 2]" 1
505 1 46 PHE QD 1 67 GLN HB2 . . 5.030 3.848 2.688 4.165 . 0 0 "[ . 1 . 2]" 1
506 1 46 PHE QD 1 78 LEU HG . . 4.910 4.563 4.378 4.927 0.017 14 0 "[ . 1 . 2]" 1
507 1 46 PHE QD 1 129 TYR QE . . 4.610 4.688 4.634 4.745 0.135 14 0 "[ . 1 . 2]" 1
508 1 46 PHE QE 1 67 GLN HB2 . . 4.780 4.124 3.350 4.384 . 0 0 "[ . 1 . 2]" 1
509 1 46 PHE QE 1 67 GLN HB3 . . 5.010 3.264 2.931 3.473 . 0 0 "[ . 1 . 2]" 1
510 1 46 PHE QE 1 129 TYR HB3 . . 4.740 4.018 3.205 4.303 . 0 0 "[ . 1 . 2]" 1
511 1 46 PHE QE 1 129 TYR QE . . 5.010 3.521 3.309 3.723 . 0 0 "[ . 1 . 2]" 1
512 1 46 PHE HZ 1 129 TYR HB3 . . 5.500 5.509 5.309 5.571 0.071 14 0 "[ . 1 . 2]" 1
513 1 47 HIS H 1 47 HIS HB2 . . 3.810 2.446 2.319 2.548 . 0 0 "[ . 1 . 2]" 1
514 1 47 HIS H 1 65 ALA HA . . 4.920 4.963 4.891 5.004 0.084 13 0 "[ . 1 . 2]" 1
515 1 47 HIS H 1 66 CYS H . . 3.960 3.341 3.234 3.468 . 0 0 "[ . 1 . 2]" 1
516 1 47 HIS H 1 66 CYS QB . . 5.200 4.417 4.006 4.977 . 0 0 "[ . 1 . 2]" 1
517 1 47 HIS H 1 67 GLN HA . . 4.710 2.877 2.724 3.001 . 0 0 "[ . 1 . 2]" 1
518 1 47 HIS H 1 67 GLN HB2 . . 5.140 5.082 4.877 5.198 0.058 4 0 "[ . 1 . 2]" 1
519 1 47 HIS HA 1 47 HIS HD2 . . 4.440 3.659 3.188 4.272 . 0 0 "[ . 1 . 2]" 1
520 1 47 HIS HA 1 48 ILE H . . 3.320 2.137 2.080 2.193 . 0 0 "[ . 1 . 2]" 1
521 1 47 HIS HB2 1 56 VAL HB . . 4.820 4.570 3.946 4.885 0.065 9 0 "[ . 1 . 2]" 1
522 1 47 HIS HB2 1 66 CYS H . . 5.500 4.017 3.192 4.706 . 0 0 "[ . 1 . 2]" 1
523 1 47 HIS HB3 1 48 ILE H . . 5.500 3.574 3.227 3.857 . 0 0 "[ . 1 . 2]" 1
524 1 47 HIS HB3 1 54 VAL HB . . 5.380 4.961 4.555 5.396 0.016 5 0 "[ . 1 . 2]" 1
525 1 47 HIS HB3 1 66 CYS H . . 5.050 3.904 3.349 4.543 . 0 0 "[ . 1 . 2]" 1
526 1 48 ILE H 1 48 ILE HG12 . . 4.830 2.319 2.242 2.370 . 0 0 "[ . 1 . 2]" 1
527 1 48 ILE H 1 54 VAL HB . . 5.500 5.332 4.862 5.527 0.027 10 0 "[ . 1 . 2]" 1
528 1 48 ILE H 1 65 ALA HA . . 4.940 4.756 4.688 4.834 . 0 0 "[ . 1 . 2]" 1
529 1 48 ILE HA 1 49 ASN H . . 3.110 2.238 2.201 2.300 . 0 0 "[ . 1 . 2]" 1
530 1 48 ILE HA 1 49 ASN HA . . 5.500 4.417 4.371 4.444 . 0 0 "[ . 1 . 2]" 1
531 1 48 ILE HA 1 65 ALA HA . . 3.550 2.166 2.091 2.235 . 0 0 "[ . 1 . 2]" 1
532 1 48 ILE HA 1 65 ALA MB . . 4.310 3.050 2.865 3.161 . 0 0 "[ . 1 . 2]" 1
533 1 48 ILE HA 1 66 CYS H . . 4.070 3.369 3.292 3.528 . 0 0 "[ . 1 . 2]" 1
534 1 48 ILE HB 1 49 ASN H . . 4.000 2.591 2.517 2.663 . 0 0 "[ . 1 . 2]" 1
535 1 48 ILE HB 1 49 ASN HA . . 5.390 4.438 4.361 4.495 . 0 0 "[ . 1 . 2]" 1
536 1 48 ILE HB 1 65 ALA HA . . 5.310 3.699 3.481 3.928 . 0 0 "[ . 1 . 2]" 1
537 1 48 ILE HG12 1 49 ASN H . . 4.440 4.526 4.515 4.539 0.099 6 0 "[ . 1 . 2]" 1
538 1 48 ILE HG12 1 49 ASN HA . . 5.500 4.798 4.709 4.875 . 0 0 "[ . 1 . 2]" 1
539 1 48 ILE HG12 1 141 TRP HZ3 . . 5.500 4.131 3.839 4.448 . 0 0 "[ . 1 . 2]" 1
540 1 49 ASN H 1 49 ASN HB3 . . 4.180 2.727 2.686 2.773 . 0 0 "[ . 1 . 2]" 1
541 1 49 ASN H 1 50 VAL H . . 4.420 4.398 4.335 4.439 0.019 6 0 "[ . 1 . 2]" 1
542 1 49 ASN H 1 64 GLY HA2 . . 5.500 4.441 4.164 4.665 . 0 0 "[ . 1 . 2]" 1
543 1 49 ASN H 1 65 ALA HA . . 4.420 3.603 3.490 3.709 . 0 0 "[ . 1 . 2]" 1
544 1 49 ASN H 1 96 TYR QE . . 4.540 4.247 3.839 4.452 . 0 0 "[ . 1 . 2]" 1
545 1 49 ASN H 1 96 TYR HH . . 5.060 3.461 3.156 4.467 . 0 0 "[ . 1 . 2]" 1
546 1 49 ASN HB2 1 50 VAL H . . 4.690 4.010 3.926 4.135 . 0 0 "[ . 1 . 2]" 1
547 1 49 ASN HB2 1 54 VAL H . . 5.150 5.037 4.865 5.177 0.027 14 0 "[ . 1 . 2]" 1
548 1 49 ASN HB2 1 54 VAL HA . . 5.440 2.581 2.199 2.755 . 0 0 "[ . 1 . 2]" 1
549 1 49 ASN HB3 1 50 VAL H . . 4.760 3.800 3.697 3.971 . 0 0 "[ . 1 . 2]" 1
550 1 49 ASN HB3 1 54 VAL HA . . 5.090 2.811 2.315 3.074 . 0 0 "[ . 1 . 2]" 1
551 1 49 ASN HD21 1 54 VAL HA . . 5.140 4.326 4.029 4.536 . 0 0 "[ . 1 . 2]" 1
552 1 50 VAL H 1 50 VAL HB . . 3.580 2.529 2.458 2.604 . 0 0 "[ . 1 . 2]" 1
553 1 50 VAL H 1 51 CYS H . . 5.160 4.229 4.089 4.319 . 0 0 "[ . 1 . 2]" 1
554 1 50 VAL HA 1 51 CYS H . . 3.390 2.031 1.975 2.068 . 0 0 "[ . 1 . 2]" 1
555 1 50 VAL HA 1 96 TYR HH . . 3.820 3.161 2.809 3.895 0.075 7 0 "[ . 1 . 2]" 1
556 1 50 VAL HB 1 51 CYS H . . 4.900 4.301 4.184 4.379 . 0 0 "[ . 1 . 2]" 1
557 1 51 CYS H 1 96 TYR QE . . 4.710 3.541 3.407 3.769 . 0 0 "[ . 1 . 2]" 1
558 1 51 CYS H 1 96 TYR HH . . 3.590 2.344 2.189 2.537 . 0 0 "[ . 1 . 2]" 1
559 1 51 CYS HA 1 83 ALA H . . 5.420 4.990 4.596 5.203 . 0 0 "[ . 1 . 2]" 1
560 1 51 CYS HA 1 83 ALA HA . . 4.180 2.409 2.123 2.650 . 0 0 "[ . 1 . 2]" 1
561 1 51 CYS HB2 1 83 ALA MB . . 3.970 3.111 1.853 3.922 . 0 0 "[ . 1 . 2]" 1
562 1 51 CYS HB3 1 52 GLY H . . 4.330 3.662 2.787 4.053 . 0 0 "[ . 1 . 2]" 1
563 1 51 CYS HB3 1 83 ALA HA . . 5.080 3.691 2.219 5.084 0.004 1 0 "[ . 1 . 2]" 1
564 1 51 CYS HB3 1 83 ALA MB . . 4.490 3.453 2.249 4.505 0.015 15 0 "[ . 1 . 2]" 1
565 1 52 GLY H 1 53 PRO QD . . 4.430 4.306 4.248 4.372 . 0 0 "[ . 1 . 2]" 1
566 1 52 GLY H 1 82 ASN HA . . 5.040 4.322 4.057 4.731 . 0 0 "[ . 1 . 2]" 1
567 1 52 GLY H 1 83 ALA MB . . 5.500 2.687 2.477 3.124 . 0 0 "[ . 1 . 2]" 1
568 1 52 GLY H 1 96 TYR HH . . 4.440 4.487 3.358 4.588 0.148 15 0 "[ . 1 . 2]" 1
569 1 52 GLY QA 1 53 PRO QD . . 3.140 1.879 1.794 1.981 . 0 0 "[ . 1 . 2]" 1
570 1 52 GLY QA 1 53 PRO HG2 . . 3.870 4.032 3.969 4.069 0.199 10 0 "[ . 1 . 2]" 1
571 1 52 GLY QA 1 53 PRO HG3 . . 5.060 3.866 3.495 4.253 . 0 0 "[ . 1 . 2]" 1
572 1 52 GLY QA 1 81 SER QB . . 4.630 2.821 2.526 3.664 . 0 0 "[ . 1 . 2]" 1
573 1 52 GLY QA 1 83 ALA HA . . 5.300 4.419 3.805 5.083 . 0 0 "[ . 1 . 2]" 1
574 1 53 PRO HA 1 54 VAL H . . 3.250 2.350 2.263 2.461 . 0 0 "[ . 1 . 2]" 1
575 1 53 PRO HA 1 64 GLY HA2 . . 3.830 2.038 1.910 2.142 . 0 0 "[ . 1 . 2]" 1
576 1 53 PRO HA 1 64 GLY HA3 . . 4.650 2.898 2.796 3.065 . 0 0 "[ . 1 . 2]" 1
577 1 53 PRO HA 1 81 SER HB2 . . 4.900 3.692 3.196 4.614 . 0 0 "[ . 1 . 2]" 1
578 1 53 PRO HA 1 81 SER QB . . 4.270 2.657 2.242 3.364 . 0 0 "[ . 1 . 2]" 1
579 1 53 PRO HA 1 81 SER HB3 . . 4.900 2.797 2.274 4.796 . 0 0 "[ . 1 . 2]" 1
580 1 53 PRO HB2 1 54 VAL H . . 3.860 2.582 2.214 2.919 . 0 0 "[ . 1 . 2]" 1
581 1 53 PRO HB2 1 54 VAL HA . . 4.980 4.226 4.128 4.330 . 0 0 "[ . 1 . 2]" 1
582 1 53 PRO HB2 1 63 SER H . . 4.930 4.488 4.051 4.949 0.019 14 0 "[ . 1 . 2]" 1
583 1 53 PRO HB3 1 54 VAL H . . 4.220 3.379 3.197 3.521 . 0 0 "[ . 1 . 2]" 1
584 1 53 PRO HB3 1 62 ASP HA . . 4.680 3.628 2.869 4.225 . 0 0 "[ . 1 . 2]" 1
585 1 53 PRO HB3 1 63 SER H . . 4.260 4.120 3.835 4.313 0.053 8 0 "[ . 1 . 2]" 1
586 1 53 PRO HB3 1 64 GLY H . . 5.190 5.254 5.230 5.287 0.097 9 0 "[ . 1 . 2]" 1
587 1 53 PRO HB3 1 81 SER QB . . 5.330 2.276 1.955 3.141 . 0 0 "[ . 1 . 2]" 1
588 1 53 PRO QD 1 81 SER QB . . 4.660 2.999 2.363 3.754 . 0 0 "[ . 1 . 2]" 1
589 1 54 VAL H 1 55 SER H . . 4.510 4.385 4.351 4.427 . 0 0 "[ . 1 . 2]" 1
590 1 54 VAL H 1 55 SER HA . . 5.430 4.712 4.644 4.804 . 0 0 "[ . 1 . 2]" 1
591 1 54 VAL H 1 63 SER H . . 5.100 4.221 3.995 4.369 . 0 0 "[ . 1 . 2]" 1
592 1 54 VAL H 1 63 SER QB . . 5.010 4.388 3.940 4.885 . 0 0 "[ . 1 . 2]" 1
593 1 54 VAL H 1 64 GLY HA2 . . 4.390 2.161 2.007 2.290 . 0 0 "[ . 1 . 2]" 1
594 1 54 VAL H 1 64 GLY HA3 . . 4.930 3.881 3.722 4.009 . 0 0 "[ . 1 . 2]" 1
595 1 54 VAL HA 1 55 SER H . . 3.280 2.211 2.110 2.270 . 0 0 "[ . 1 . 2]" 1
596 1 54 VAL HB 1 55 SER H . . 4.400 4.272 4.145 4.340 . 0 0 "[ . 1 . 2]" 1
597 1 54 VAL HB 1 56 VAL H . . 5.330 5.417 5.375 5.454 0.124 16 0 "[ . 1 . 2]" 1
598 1 55 SER H 1 55 SER HB2 . . 3.920 2.923 2.549 3.523 . 0 0 "[ . 1 . 2]" 1
599 1 55 SER H 1 55 SER HB3 . . 3.920 2.642 2.462 3.664 . 0 0 "[ . 1 . 2]" 1
600 1 55 SER H 1 56 VAL H . . 4.070 3.728 3.645 3.790 . 0 0 "[ . 1 . 2]" 1
601 1 55 SER HA 1 56 VAL H . . 3.050 2.237 2.157 2.310 . 0 0 "[ . 1 . 2]" 1
602 1 55 SER HA 1 56 VAL HB . . 5.420 4.954 4.770 5.109 . 0 0 "[ . 1 . 2]" 1
603 1 55 SER HA 1 61 PRO HB3 . . 5.490 5.112 4.574 5.508 0.018 6 0 "[ . 1 . 2]" 1
604 1 55 SER QB 1 61 PRO HA . . 5.340 5.308 4.999 5.417 0.077 14 0 "[ . 1 . 2]" 1
605 1 55 SER HB2 1 56 VAL H . . 4.790 4.493 4.178 4.582 . 0 0 "[ . 1 . 2]" 1
606 1 55 SER HB3 1 56 VAL H . . 4.790 4.457 4.064 4.526 . 0 0 "[ . 1 . 2]" 1
607 1 56 VAL H 1 56 VAL HB . . 3.870 2.858 2.672 3.227 . 0 0 "[ . 1 . 2]" 1
608 1 56 VAL HA 1 57 GLY QA . . 4.950 3.895 3.856 3.919 . 0 0 "[ . 1 . 2]" 1
609 1 56 VAL HB 1 57 GLY H . . 5.500 3.965 3.554 4.164 . 0 0 "[ . 1 . 2]" 1
610 1 56 VAL HB 1 58 ALA H . . 5.340 3.325 2.509 5.072 . 0 0 "[ . 1 . 2]" 1
611 1 56 VAL HB 1 58 ALA MB . . 5.200 3.731 3.046 4.811 . 0 0 "[ . 1 . 2]" 1
612 1 56 VAL HB 1 59 CYS H . . 4.730 3.526 2.713 4.979 0.249 3 0 "[ . 1 . 2]" 1
613 1 57 GLY H 1 58 ALA H . . 5.190 3.036 2.619 3.557 . 0 0 "[ . 1 . 2]" 1
614 1 57 GLY QA 1 58 ALA H . . 3.560 2.715 2.340 2.898 . 0 0 "[ . 1 . 2]" 1
615 1 57 GLY QA 1 58 ALA HA . . 5.500 4.005 3.970 4.090 . 0 0 "[ . 1 . 2]" 1
616 1 57 GLY QA 1 59 CYS H . . 4.280 3.697 3.370 4.058 . 0 0 "[ . 1 . 2]" 1
617 1 58 ALA H 1 58 ALA MB . . 3.410 2.524 2.257 2.720 . 0 0 "[ . 1 . 2]" 1
618 1 58 ALA H 1 59 CYS H . . 3.670 1.939 1.617 2.714 . 0 0 "[ . 1 . 2]" 1
619 1 58 ALA MB 1 59 CYS H . . 4.100 3.014 2.443 3.468 . 0 0 "[ . 1 . 2]" 1
620 1 58 ALA MB 1 75 SER HB2 . . 4.900 4.084 2.690 4.941 0.041 19 0 "[ . 1 . 2]" 1
621 1 58 ALA MB 1 75 SER HB3 . . 4.900 3.640 2.237 4.704 . 0 0 "[ . 1 . 2]" 1
622 1 59 CYS CB 1 66 CYS SG . . 3.100 3.013 2.981 3.072 . 0 0 "[ . 1 . 2]" 1
623 1 59 CYS H 1 60 PRO HD2 . . 5.330 4.920 4.684 5.241 . 0 0 "[ . 1 . 2]" 1
624 1 59 CYS H 1 60 PRO QD . . 4.620 4.339 4.286 4.386 . 0 0 "[ . 1 . 2]" 1
625 1 59 CYS H 1 60 PRO HD3 . . 5.330 4.875 4.593 5.221 . 0 0 "[ . 1 . 2]" 1
626 1 59 CYS QB 1 63 SER QB . . 5.100 3.243 2.262 4.338 . 0 0 "[ . 1 . 2]" 1
627 1 59 CYS SG 1 66 CYS CB . . 3.100 3.018 2.981 3.051 . 0 0 "[ . 1 . 2]" 1
628 1 59 CYS SG 1 66 CYS SG . . 2.100 2.018 2.005 2.031 . 0 0 "[ . 1 . 2]" 1
629 1 60 PRO HA 1 61 PRO HD2 . . 3.750 2.665 2.151 2.929 . 0 0 "[ . 1 . 2]" 1
630 1 60 PRO HA 1 61 PRO HD3 . . 3.770 1.999 1.889 2.543 . 0 0 "[ . 1 . 2]" 1
631 1 60 PRO HB2 1 61 PRO HD3 . . 4.210 4.042 3.644 4.255 0.045 10 0 "[ . 1 . 2]" 1
632 1 60 PRO HB2 1 62 ASP H . . 4.950 2.482 2.180 2.855 . 0 0 "[ . 1 . 2]" 1
633 1 60 PRO HB3 1 61 PRO HD3 . . 4.470 3.731 3.307 4.242 . 0 0 "[ . 1 . 2]" 1
634 1 60 PRO HB3 1 62 ASP H . . 5.010 3.756 3.282 4.093 . 0 0 "[ . 1 . 2]" 1
635 1 60 PRO HB3 1 63 SER H . . 5.500 5.129 4.355 5.508 0.008 18 0 "[ . 1 . 2]" 1
636 1 60 PRO QD 1 63 SER H . . 5.060 4.654 4.124 5.087 0.027 18 0 "[ . 1 . 2]" 1
637 1 60 PRO QD 1 63 SER QB . . 4.390 3.400 2.335 4.254 . 0 0 "[ . 1 . 2]" 1
638 1 60 PRO QG 1 63 SER QB . . 5.140 3.332 2.441 4.841 . 0 0 "[ . 1 . 2]" 1
639 1 61 PRO HD3 1 62 ASP H . . 4.260 3.996 3.729 4.239 . 0 0 "[ . 1 . 2]" 1
640 1 61 PRO QG 1 62 ASP H . . 5.030 3.981 2.901 4.226 . 0 0 "[ . 1 . 2]" 1
641 1 62 ASP H 1 63 SER H . . 3.430 2.536 2.430 2.662 . 0 0 "[ . 1 . 2]" 1
642 1 62 ASP HA 1 63 SER H . . 3.450 3.287 3.172 3.375 . 0 0 "[ . 1 . 2]" 1
643 1 62 ASP QB 1 80 ARG QB . . 3.390 3.421 3.197 3.510 0.120 6 0 "[ . 1 . 2]" 1
644 1 63 SER H 1 63 SER QB . . 3.200 2.577 2.295 3.025 . 0 0 "[ . 1 . 2]" 1
645 1 63 SER H 1 64 GLY H . . 4.830 4.470 4.359 4.548 . 0 0 "[ . 1 . 2]" 1
646 1 63 SER HA 1 64 GLY H . . 3.220 2.206 2.144 2.273 . 0 0 "[ . 1 . 2]" 1
647 1 63 SER HA 1 64 GLY HA3 . . 5.240 4.378 4.305 4.438 . 0 0 "[ . 1 . 2]" 1
648 1 63 SER HA 1 80 ARG HA . . 2.870 1.924 1.823 2.078 . 0 0 "[ . 1 . 2]" 1
649 1 63 SER HA 1 81 SER H . . 3.020 3.000 2.456 3.091 0.071 19 0 "[ . 1 . 2]" 1
650 1 63 SER QB 1 64 GLY H . . 4.350 3.200 2.718 3.725 . 0 0 "[ . 1 . 2]" 1
651 1 63 SER QB 1 65 ALA H . . 4.590 3.236 2.466 4.314 . 0 0 "[ . 1 . 2]" 1
652 1 63 SER QB 1 66 CYS QB . . 4.580 3.052 2.533 4.134 . 0 0 "[ . 1 . 2]" 1
653 1 64 GLY H 1 65 ALA H . . 3.320 2.058 1.985 2.121 . 0 0 "[ . 1 . 2]" 1
654 1 64 GLY H 1 65 ALA MB . . 5.210 4.039 3.944 4.144 . 0 0 "[ . 1 . 2]" 1
655 1 64 GLY H 1 81 SER H . . 4.100 3.670 3.494 3.853 . 0 0 "[ . 1 . 2]" 1
656 1 64 GLY H 1 81 SER HA . . 4.770 3.472 3.195 3.690 . 0 0 "[ . 1 . 2]" 1
657 1 64 GLY H 1 96 TYR QD . . 5.420 4.345 3.803 4.716 . 0 0 "[ . 1 . 2]" 1
658 1 64 GLY H 1 96 TYR QE . . 5.450 4.601 3.768 5.106 . 0 0 "[ . 1 . 2]" 1
659 1 64 GLY HA2 1 65 ALA MB . . 5.500 4.623 4.547 4.701 . 0 0 "[ . 1 . 2]" 1
660 1 64 GLY HA2 1 81 SER H . . 5.500 5.181 4.867 5.495 . 0 0 "[ . 1 . 2]" 1
661 1 64 GLY HA2 1 81 SER HA . . 5.250 3.698 3.436 3.986 . 0 0 "[ . 1 . 2]" 1
662 1 64 GLY HA2 1 81 SER QB . . 4.620 4.219 3.762 4.954 0.334 8 0 "[ . 1 . 2]" 1
663 1 64 GLY HA2 1 82 ASN H . . 4.910 5.031 4.762 5.330 0.420 6 0 "[ . 1 . 2]" 1
664 1 64 GLY HA2 1 96 TYR QE . . 5.050 4.340 3.834 4.727 . 0 0 "[ . 1 . 2]" 1
665 1 64 GLY HA3 1 81 SER HA . . 4.640 2.849 2.566 3.168 . 0 0 "[ . 1 . 2]" 1
666 1 64 GLY HA3 1 81 SER QB . . 4.580 4.196 3.761 4.637 0.057 7 0 "[ . 1 . 2]" 1
667 1 64 GLY HA3 1 82 ASN H . . 4.970 3.800 3.435 4.033 . 0 0 "[ . 1 . 2]" 1
668 1 64 GLY HA3 1 96 TYR QE . . 4.480 2.921 2.224 3.256 . 0 0 "[ . 1 . 2]" 1
669 1 65 ALA H 1 66 CYS H . . 5.330 4.074 3.993 4.156 . 0 0 "[ . 1 . 2]" 1
670 1 65 ALA H 1 78 LEU H . . 5.390 4.029 3.824 4.233 . 0 0 "[ . 1 . 2]" 1
671 1 65 ALA H 1 79 GLY H . . 5.030 4.140 3.893 4.412 . 0 0 "[ . 1 . 2]" 1
672 1 65 ALA H 1 80 ARG HA . . 4.600 4.525 4.297 4.690 0.090 14 0 "[ . 1 . 2]" 1
673 1 65 ALA HA 1 66 CYS H . . 3.240 2.098 2.034 2.147 . 0 0 "[ . 1 . 2]" 1
674 1 65 ALA HA 1 66 CYS QB . . 5.340 4.052 3.812 4.301 . 0 0 "[ . 1 . 2]" 1
675 1 65 ALA MB 1 66 CYS H . . 3.870 3.100 2.985 3.165 . 0 0 "[ . 1 . 2]" 1
676 1 65 ALA MB 1 66 CYS HA . . 5.150 4.069 3.996 4.136 . 0 0 "[ . 1 . 2]" 1
677 1 65 ALA MB 1 67 GLN H . . 5.450 5.247 5.108 5.335 . 0 0 "[ . 1 . 2]" 1
678 1 65 ALA MB 1 78 LEU H . . 4.050 3.631 3.424 3.829 . 0 0 "[ . 1 . 2]" 1
679 1 65 ALA MB 1 79 GLY H . . 4.910 3.981 3.743 4.185 . 0 0 "[ . 1 . 2]" 1
680 1 65 ALA MB 1 96 TYR QE . . 4.250 3.630 3.232 3.927 . 0 0 "[ . 1 . 2]" 1
681 1 65 ALA MB 1 112 THR H . . 4.990 4.403 4.157 4.893 . 0 0 "[ . 1 . 2]" 1
682 1 65 ALA MB 1 112 THR HB . . 4.760 2.879 2.708 3.126 . 0 0 "[ . 1 . 2]" 1
683 1 66 CYS H 1 66 CYS QB . . 3.540 2.784 2.542 3.119 . 0 0 "[ . 1 . 2]" 1
684 1 66 CYS HA 1 67 GLN H . . 3.510 2.167 2.124 2.202 . 0 0 "[ . 1 . 2]" 1
685 1 66 CYS HA 1 67 GLN QG . . 5.340 3.839 3.557 4.019 . 0 0 "[ . 1 . 2]" 1
686 1 66 CYS HA 1 76 TRP H . . 5.170 4.545 4.427 4.675 . 0 0 "[ . 1 . 2]" 1
687 1 66 CYS HA 1 78 LEU H . . 3.570 2.700 2.393 2.888 . 0 0 "[ . 1 . 2]" 1
688 1 66 CYS HA 1 78 LEU HA . . 5.500 5.117 4.936 5.386 . 0 0 "[ . 1 . 2]" 1
689 1 66 CYS HA 1 78 LEU QB . . 5.340 3.471 3.220 3.903 . 0 0 "[ . 1 . 2]" 1
690 1 66 CYS HA 1 78 LEU HG . . 4.350 2.673 2.267 2.974 . 0 0 "[ . 1 . 2]" 1
691 1 66 CYS QB 1 78 LEU H . . 4.750 3.971 3.696 4.536 . 0 0 "[ . 1 . 2]" 1
692 1 66 CYS HB2 1 67 GLN H . . 4.980 3.712 3.064 4.190 . 0 0 "[ . 1 . 2]" 1
693 1 66 CYS HB2 1 78 LEU H . . 5.500 4.425 3.799 5.262 . 0 0 "[ . 1 . 2]" 1
694 1 66 CYS HB3 1 67 GLN H . . 4.980 4.091 3.118 4.269 . 0 0 "[ . 1 . 2]" 1
695 1 66 CYS HB3 1 78 LEU H . . 5.500 4.829 3.983 5.517 0.017 13 0 "[ . 1 . 2]" 1
696 1 67 GLN H 1 67 GLN HB2 . . 4.070 3.634 3.551 3.701 . 0 0 "[ . 1 . 2]" 1
697 1 67 GLN H 1 67 GLN QG . . 3.840 2.175 2.056 2.292 . 0 0 "[ . 1 . 2]" 1
698 1 67 GLN H 1 75 SER HA . . 5.250 4.709 4.584 4.849 . 0 0 "[ . 1 . 2]" 1
699 1 67 GLN H 1 75 SER QB . . 5.270 4.095 3.946 4.244 . 0 0 "[ . 1 . 2]" 1
700 1 67 GLN H 1 76 TRP H . . 4.060 2.992 2.898 3.069 . 0 0 "[ . 1 . 2]" 1
701 1 67 GLN H 1 76 TRP HB2 . . 4.880 3.760 3.610 3.890 . 0 0 "[ . 1 . 2]" 1
702 1 67 GLN H 1 76 TRP HB3 . . 5.500 4.972 4.701 5.138 . 0 0 "[ . 1 . 2]" 1
703 1 67 GLN H 1 78 LEU HG . . 4.310 2.549 2.370 2.778 . 0 0 "[ . 1 . 2]" 1
704 1 67 GLN HA 1 68 VAL H . . 3.170 2.176 2.150 2.213 . 0 0 "[ . 1 . 2]" 1
705 1 67 GLN HB2 1 68 VAL H . . 4.300 2.610 2.473 2.728 . 0 0 "[ . 1 . 2]" 1
706 1 67 GLN HB2 1 75 SER QB . . 5.200 5.368 5.300 5.414 0.214 7 0 "[ . 1 . 2]" 1
707 1 67 GLN HB2 1 76 TRP HE3 . . 4.250 3.507 3.099 3.938 . 0 0 "[ . 1 . 2]" 1
708 1 67 GLN HB2 1 76 TRP HZ3 . . 5.030 4.299 3.875 4.580 . 0 0 "[ . 1 . 2]" 1
709 1 67 GLN HB3 1 76 TRP H . . 5.500 5.103 4.981 5.232 . 0 0 "[ . 1 . 2]" 1
710 1 67 GLN HB3 1 76 TRP HE3 . . 5.060 4.657 4.357 4.879 . 0 0 "[ . 1 . 2]" 1
711 1 67 GLN HB3 1 139 PHE HZ . . 5.500 4.791 4.531 5.352 . 0 0 "[ . 1 . 2]" 1
712 1 67 GLN QG 1 68 VAL H . . 5.090 3.924 3.710 4.102 . 0 0 "[ . 1 . 2]" 1
713 1 67 GLN QG 1 76 TRP H . . 4.200 2.549 2.388 2.765 . 0 0 "[ . 1 . 2]" 1
714 1 67 GLN QG 1 76 TRP HB2 . . 3.410 2.196 1.955 2.495 . 0 0 "[ . 1 . 2]" 1
715 1 67 GLN QG 1 76 TRP HE3 . . 3.970 1.849 1.768 2.004 . 0 0 "[ . 1 . 2]" 1
716 1 68 VAL H 1 76 TRP HZ3 . . 4.930 4.994 4.954 5.033 0.103 1 0 "[ . 1 . 2]" 1
717 1 68 VAL HA 1 69 SER H . . 3.040 2.075 1.963 2.154 . 0 0 "[ . 1 . 2]" 1
718 1 68 VAL HA 1 75 SER HA . . 3.940 2.049 1.882 2.110 . 0 0 "[ . 1 . 2]" 1
719 1 68 VAL HA 1 75 SER HB2 . . 5.000 3.738 3.283 4.585 . 0 0 "[ . 1 . 2]" 1
720 1 68 VAL HA 1 75 SER HB3 . . 5.000 2.922 2.613 3.340 . 0 0 "[ . 1 . 2]" 1
721 1 68 VAL HA 1 76 TRP H . . 4.370 3.533 3.213 3.692 . 0 0 "[ . 1 . 2]" 1
722 1 68 VAL HA 1 76 TRP HE3 . . 5.050 3.441 3.146 3.783 . 0 0 "[ . 1 . 2]" 1
723 1 68 VAL HA 1 76 TRP HZ3 . . 4.970 3.454 3.137 3.866 . 0 0 "[ . 1 . 2]" 1
724 1 68 VAL HB 1 69 SER H . . 4.770 4.028 3.865 4.117 . 0 0 "[ . 1 . 2]" 1
725 1 68 VAL HB 1 76 TRP H . . 5.240 4.566 4.350 5.586 0.346 10 0 "[ . 1 . 2]" 1
726 1 69 SER H 1 69 SER QB . . 3.210 2.344 2.195 2.691 . 0 0 "[ . 1 . 2]" 1
727 1 69 SER H 1 73 ARG H . . 5.400 4.186 3.915 4.423 . 0 0 "[ . 1 . 2]" 1
728 1 69 SER H 1 73 ARG HA . . 4.640 4.128 3.688 4.621 . 0 0 "[ . 1 . 2]" 1
729 1 69 SER H 1 74 LYS H . . 4.370 3.283 2.814 3.527 . 0 0 "[ . 1 . 2]" 1
730 1 69 SER H 1 74 LYS HB2 . . 4.750 3.716 3.312 4.323 . 0 0 "[ . 1 . 2]" 1
731 1 69 SER H 1 75 SER HA . . 4.380 3.273 3.018 3.460 . 0 0 "[ . 1 . 2]" 1
732 1 69 SER H 1 75 SER QB . . 5.030 4.221 3.828 4.926 . 0 0 "[ . 1 . 2]" 1
733 1 69 SER H 1 76 TRP HE3 . . 4.770 4.064 3.722 4.419 . 0 0 "[ . 1 . 2]" 1
734 1 69 SER H 1 76 TRP HZ3 . . 4.180 2.710 2.189 3.244 . 0 0 "[ . 1 . 2]" 1
735 1 69 SER HA 1 70 ARG H . . 3.210 2.120 2.048 2.197 . 0 0 "[ . 1 . 2]" 1
736 1 69 SER HA 1 70 ARG HB3 . . 5.500 4.507 4.411 4.647 . 0 0 "[ . 1 . 2]" 1
737 1 69 SER HA 1 71 SER H . . 5.010 3.344 3.209 3.580 . 0 0 "[ . 1 . 2]" 1
738 1 69 SER HA 1 74 LYS H . . 5.500 5.034 4.801 5.284 . 0 0 "[ . 1 . 2]" 1
739 1 69 SER QB 1 70 ARG H . . 4.390 3.713 3.239 3.949 . 0 0 "[ . 1 . 2]" 1
740 1 69 SER QB 1 72 ASP QB . . 5.180 2.554 1.949 3.320 . 0 0 "[ . 1 . 2]" 1
741 1 69 SER QB 1 73 ARG H . . 4.130 2.851 2.436 3.420 . 0 0 "[ . 1 . 2]" 1
742 1 69 SER QB 1 74 LYS H . . 3.570 2.519 1.994 3.601 0.031 6 0 "[ . 1 . 2]" 1
743 1 69 SER QB 1 74 LYS HB2 . . 4.780 3.000 2.179 3.799 . 0 0 "[ . 1 . 2]" 1
744 1 69 SER QB 1 74 LYS HB3 . . 5.250 4.433 3.609 5.266 0.016 8 0 "[ . 1 . 2]" 1
745 1 69 SER QB 1 76 TRP HE3 . . 5.340 4.484 4.093 5.416 0.076 4 0 "[ . 1 . 2]" 1
746 1 69 SER QB 1 76 TRP HH2 . . 4.040 2.509 2.264 3.335 . 0 0 "[ . 1 . 2]" 1
747 1 69 SER QB 1 76 TRP HZ2 . . 5.160 4.649 4.382 5.178 0.018 4 0 "[ . 1 . 2]" 1
748 1 69 SER QB 1 76 TRP HZ3 . . 3.880 2.304 1.899 3.565 . 0 0 "[ . 1 . 2]" 1
749 1 70 ARG H 1 70 ARG HB2 . . 4.110 3.630 3.584 3.670 . 0 0 "[ . 1 . 2]" 1
750 1 70 ARG H 1 70 ARG HD2 . . 5.200 3.789 3.481 4.486 . 0 0 "[ . 1 . 2]" 1
751 1 70 ARG H 1 70 ARG HD3 . . 4.930 4.457 3.495 4.680 . 0 0 "[ . 1 . 2]" 1
752 1 70 ARG H 1 70 ARG HG2 . . 3.930 2.230 2.094 2.370 . 0 0 "[ . 1 . 2]" 1
753 1 70 ARG HA 1 70 ARG HD2 . . 5.140 4.783 4.641 4.870 . 0 0 "[ . 1 . 2]" 1
754 1 70 ARG HA 1 70 ARG HD3 . . 5.500 5.496 4.731 5.548 0.048 3 0 "[ . 1 . 2]" 1
755 1 70 ARG HA 1 70 ARG HG2 . . 3.930 3.739 3.688 3.779 . 0 0 "[ . 1 . 2]" 1
756 1 70 ARG HA 1 72 ASP H . . 5.360 4.623 4.457 4.730 . 0 0 "[ . 1 . 2]" 1
757 1 70 ARG HA 1 73 ARG QD . . 4.750 3.616 2.318 4.765 0.015 19 0 "[ . 1 . 2]" 1
758 1 70 ARG HB2 1 71 SER H . . 4.900 4.163 4.082 4.237 . 0 0 "[ . 1 . 2]" 1
759 1 70 ARG HB3 1 70 ARG HD2 . . 3.930 2.427 2.308 2.526 . 0 0 "[ . 1 . 2]" 1
760 1 70 ARG HB3 1 71 SER H . . 4.360 4.051 3.967 4.123 . 0 0 "[ . 1 . 2]" 1
761 1 70 ARG HG2 1 71 SER H . . 4.900 2.753 2.575 2.930 . 0 0 "[ . 1 . 2]" 1
762 1 70 ARG HG2 1 71 SER HA . . 5.250 4.463 4.237 4.652 . 0 0 "[ . 1 . 2]" 1
763 1 71 SER H 1 71 SER QB . . 3.520 2.262 2.146 2.617 . 0 0 "[ . 1 . 2]" 1
764 1 71 SER H 1 72 ASP H . . 4.340 2.564 2.462 2.691 . 0 0 "[ . 1 . 2]" 1
765 1 71 SER H 1 73 ARG H . . 4.960 3.690 3.566 3.819 . 0 0 "[ . 1 . 2]" 1
766 1 71 SER HA 1 72 ASP HA . . 5.500 4.595 4.514 4.685 . 0 0 "[ . 1 . 2]" 1
767 1 72 ASP H 1 73 ARG H . . 3.630 2.170 2.031 2.321 . 0 0 "[ . 1 . 2]" 1
768 1 72 ASP HA 1 73 ARG H . . 3.260 3.327 3.299 3.368 0.108 19 0 "[ . 1 . 2]" 1
769 1 72 ASP QB 1 73 ARG H . . 4.420 3.103 2.989 3.414 . 0 0 "[ . 1 . 2]" 1
770 1 72 ASP QB 1 74 LYS H . . 4.550 2.657 2.314 3.117 . 0 0 "[ . 1 . 2]" 1
771 1 72 ASP QB 1 74 LYS HA . . 5.340 4.771 4.252 5.380 0.040 11 0 "[ . 1 . 2]" 1
772 1 72 ASP QB 1 74 LYS HB2 . . 4.650 3.043 2.354 3.690 . 0 0 "[ . 1 . 2]" 1
773 1 72 ASP QB 1 74 LYS HB3 . . 5.340 4.467 3.787 5.197 . 0 0 "[ . 1 . 2]" 1
774 1 72 ASP QB 1 74 LYS HG2 . . 5.340 3.371 2.138 5.267 . 0 0 "[ . 1 . 2]" 1
775 1 72 ASP QB 1 74 LYS HG3 . . 4.520 2.726 2.089 3.786 . 0 0 "[ . 1 . 2]" 1
776 1 72 ASP HB2 1 73 ARG H . . 5.230 3.705 3.084 4.371 . 0 0 "[ . 1 . 2]" 1
777 1 72 ASP HB3 1 73 ARG H . . 5.230 3.614 3.108 4.110 . 0 0 "[ . 1 . 2]" 1
778 1 73 ARG H 1 73 ARG QD . . 4.210 2.835 2.255 4.172 . 0 0 "[ . 1 . 2]" 1
779 1 73 ARG H 1 73 ARG QG . . 4.030 3.585 2.923 4.343 0.313 12 0 "[ . 1 . 2]" 1
780 1 73 ARG H 1 74 LYS H . . 3.880 2.542 2.365 2.703 . 0 0 "[ . 1 . 2]" 1
781 1 73 ARG H 1 74 LYS HG3 . . 5.420 5.085 4.346 5.561 0.141 12 0 "[ . 1 . 2]" 1
782 1 73 ARG HA 1 73 ARG QD . . 4.260 2.511 1.815 3.321 . 0 0 "[ . 1 . 2]" 1
783 1 73 ARG HA 1 73 ARG QG . . 3.570 2.611 2.403 2.948 . 0 0 "[ . 1 . 2]" 1
784 1 73 ARG HA 1 74 LYS HG2 . . 5.500 5.360 4.863 5.642 0.142 3 0 "[ . 1 . 2]" 1
785 1 73 ARG QB 1 73 ARG QD . . 3.310 2.545 2.332 2.917 . 0 0 "[ . 1 . 2]" 1
786 1 73 ARG QG 1 74 LYS H . . 4.910 4.745 4.221 4.940 0.030 16 0 "[ . 1 . 2]" 1
787 1 74 LYS H 1 74 LYS HB2 . . 3.400 2.387 2.217 2.535 . 0 0 "[ . 1 . 2]" 1
788 1 74 LYS H 1 74 LYS QD . . 4.600 4.106 3.907 4.457 . 0 0 "[ . 1 . 2]" 1
789 1 74 LYS H 1 74 LYS HG2 . . 3.550 3.069 2.471 3.611 0.061 11 0 "[ . 1 . 2]" 1
790 1 74 LYS H 1 74 LYS HG3 . . 4.360 3.148 2.423 3.848 . 0 0 "[ . 1 . 2]" 1
791 1 74 LYS HA 1 74 LYS HE2 . . 5.500 4.772 3.609 5.697 0.197 8 0 "[ . 1 . 2]" 1
792 1 74 LYS HA 1 74 LYS HE3 . . 5.500 4.510 1.876 5.508 0.008 3 0 "[ . 1 . 2]" 1
793 1 74 LYS HA 1 75 SER H . . 2.920 2.304 2.262 2.368 . 0 0 "[ . 1 . 2]" 1
794 1 74 LYS HA 1 75 SER HA . . 5.500 4.382 4.337 4.424 . 0 0 "[ . 1 . 2]" 1
795 1 74 LYS HA 1 75 SER QB . . 5.210 4.474 4.209 4.755 . 0 0 "[ . 1 . 2]" 1
796 1 74 LYS HB2 1 74 LYS QD . . 3.680 2.829 2.345 3.357 . 0 0 "[ . 1 . 2]" 1
797 1 74 LYS HB2 1 74 LYS QE . . 4.040 3.769 2.952 4.162 0.122 19 0 "[ . 1 . 2]" 1
798 1 74 LYS HB2 1 75 SER H . . 4.360 3.945 3.581 4.216 . 0 0 "[ . 1 . 2]" 1
799 1 74 LYS HB2 1 76 TRP HH2 . . 4.450 2.601 2.381 2.871 . 0 0 "[ . 1 . 2]" 1
800 1 74 LYS HB2 1 76 TRP HZ2 . . 4.860 3.328 2.908 3.751 . 0 0 "[ . 1 . 2]" 1
801 1 74 LYS HB3 1 74 LYS QD . . 3.520 2.332 2.075 2.785 . 0 0 "[ . 1 . 2]" 1
802 1 74 LYS HB3 1 74 LYS HE2 . . 4.560 3.849 1.914 4.536 . 0 0 "[ . 1 . 2]" 1
803 1 74 LYS HB3 1 74 LYS HE3 . . 4.560 3.575 1.969 4.524 . 0 0 "[ . 1 . 2]" 1
804 1 74 LYS HB3 1 74 LYS HG2 . . 2.980 2.756 2.512 2.972 . 0 0 "[ . 1 . 2]" 1
805 1 74 LYS HB3 1 75 SER H . . 3.670 2.871 2.381 3.206 . 0 0 "[ . 1 . 2]" 1
806 1 74 LYS HB3 1 76 TRP HE1 . . 5.500 4.366 3.895 5.280 . 0 0 "[ . 1 . 2]" 1
807 1 74 LYS HB3 1 76 TRP HE3 . . 5.170 4.989 4.758 5.253 0.083 5 0 "[ . 1 . 2]" 1
808 1 74 LYS HB3 1 76 TRP HH2 . . 4.590 3.687 3.181 4.374 . 0 0 "[ . 1 . 2]" 1
809 1 74 LYS HB3 1 76 TRP HZ2 . . 4.570 3.338 2.737 4.239 . 0 0 "[ . 1 . 2]" 1
810 1 74 LYS HB3 1 76 TRP HZ3 . . 5.140 4.528 4.226 5.098 . 0 0 "[ . 1 . 2]" 1
811 1 74 LYS QD 1 75 SER H . . 4.820 4.227 3.418 4.980 0.160 20 0 "[ . 1 . 2]" 1
812 1 74 LYS QD 1 76 TRP HH2 . . 4.620 4.140 3.077 4.727 0.107 18 0 "[ . 1 . 2]" 1
813 1 74 LYS QD 1 76 TRP HZ2 . . 4.210 3.145 1.985 3.618 . 0 0 "[ . 1 . 2]" 1
814 1 74 LYS QE 1 76 TRP HE1 . . 4.960 4.723 3.557 5.059 0.099 3 0 "[ . 1 . 2]" 1
815 1 74 LYS HG3 1 76 TRP HZ2 . . 5.430 3.931 2.885 5.406 . 0 0 "[ . 1 . 2]" 1
816 1 75 SER HA 1 76 TRP H . . 3.460 2.213 2.146 2.290 . 0 0 "[ . 1 . 2]" 1
817 1 75 SER HA 1 76 TRP HA . . 5.230 4.350 4.288 4.419 . 0 0 "[ . 1 . 2]" 1
818 1 75 SER HA 1 76 TRP HE3 . . 4.560 2.925 2.464 3.252 . 0 0 "[ . 1 . 2]" 1
819 1 75 SER QB 1 76 TRP H . . 3.680 2.560 2.380 2.723 . 0 0 "[ . 1 . 2]" 1
820 1 75 SER QB 1 76 TRP HE3 . . 5.190 4.440 3.982 4.752 . 0 0 "[ . 1 . 2]" 1
821 1 76 TRP H 1 76 TRP HD1 . . 5.500 5.248 5.125 5.425 . 0 0 "[ . 1 . 2]" 1
822 1 76 TRP H 1 76 TRP HE3 . . 3.870 2.692 2.462 2.915 . 0 0 "[ . 1 . 2]" 1
823 1 76 TRP H 1 76 TRP HZ3 . . 5.050 4.718 4.539 4.866 . 0 0 "[ . 1 . 2]" 1
824 1 76 TRP HA 1 76 TRP HD1 . . 4.730 3.245 3.090 3.438 . 0 0 "[ . 1 . 2]" 1
825 1 76 TRP HA 1 77 ASN H . . 3.410 2.313 2.241 2.365 . 0 0 "[ . 1 . 2]" 1
826 1 76 TRP HB2 1 77 ASN H . . 4.740 3.725 3.598 3.877 . 0 0 "[ . 1 . 2]" 1
827 1 76 TRP HB2 1 100 THR HB . . 5.500 5.281 5.005 5.464 . 0 0 "[ . 1 . 2]" 1
828 1 76 TRP HB3 1 77 ASN H . . 5.180 2.616 2.418 2.828 . 0 0 "[ . 1 . 2]" 1
829 1 76 TRP HB3 1 100 THR HB . . 4.990 3.728 3.460 3.990 . 0 0 "[ . 1 . 2]" 1
830 1 77 ASN H 1 77 ASN HB2 . . 3.730 2.594 2.516 2.757 . 0 0 "[ . 1 . 2]" 1
831 1 77 ASN H 1 77 ASN HB3 . . 3.730 2.515 2.384 2.617 . 0 0 "[ . 1 . 2]" 1
832 1 77 ASN H 1 78 LEU H . . 5.260 4.409 4.334 4.441 . 0 0 "[ . 1 . 2]" 1
833 1 77 ASN H 1 100 THR H . . 4.410 4.075 3.704 4.362 . 0 0 "[ . 1 . 2]" 1
834 1 77 ASN H 1 100 THR HB . . 4.070 2.192 1.864 2.473 . 0 0 "[ . 1 . 2]" 1
835 1 77 ASN HA 1 78 LEU H . . 3.510 2.188 2.118 2.227 . 0 0 "[ . 1 . 2]" 1
836 1 77 ASN HA 1 79 GLY H . . 4.720 3.528 3.404 3.634 . 0 0 "[ . 1 . 2]" 1
837 1 77 ASN QB 1 79 GLY H . . 5.250 3.629 3.411 3.826 . 0 0 "[ . 1 . 2]" 1
838 1 77 ASN QB 1 99 GLY HA3 . . 4.540 3.247 3.018 3.692 . 0 0 "[ . 1 . 2]" 1
839 1 77 ASN QB 1 100 THR H . . 3.870 2.377 1.960 2.820 . 0 0 "[ . 1 . 2]" 1
840 1 77 ASN HB2 1 100 THR H . . 4.580 4.083 3.650 4.544 . 0 0 "[ . 1 . 2]" 1
841 1 77 ASN HB2 1 100 THR HA . . 4.800 4.910 4.862 4.974 0.174 20 0 "[ . 1 . 2]" 1
842 1 77 ASN HB3 1 100 THR H . . 4.580 2.394 1.968 2.848 . 0 0 "[ . 1 . 2]" 1
843 1 77 ASN HB3 1 100 THR HA . . 4.800 3.759 3.551 4.034 . 0 0 "[ . 1 . 2]" 1
844 1 77 ASN HD21 1 80 ARG HA . . 5.240 3.181 2.954 3.563 . 0 0 "[ . 1 . 2]" 1
845 1 77 ASN HD21 1 99 GLY HA2 . . 5.500 2.827 1.987 3.401 . 0 0 "[ . 1 . 2]" 1
846 1 77 ASN HD21 1 100 THR HB . . 5.500 5.560 5.508 5.616 0.116 7 0 "[ . 1 . 2]" 1
847 1 78 LEU H 1 78 LEU HG . . 3.870 2.673 2.529 2.853 . 0 0 "[ . 1 . 2]" 1
848 1 78 LEU H 1 79 GLY H . . 3.760 2.337 2.214 2.453 . 0 0 "[ . 1 . 2]" 1
849 1 78 LEU HA 1 79 GLY HA3 . . 5.400 4.550 4.448 4.649 . 0 0 "[ . 1 . 2]" 1
850 1 78 LEU HA 1 100 THR H . . 5.500 4.008 3.417 4.484 . 0 0 "[ . 1 . 2]" 1
851 1 78 LEU HG 1 79 GLY H . . 5.230 4.719 4.629 4.845 . 0 0 "[ . 1 . 2]" 1
852 1 79 GLY H 1 99 GLY HA2 . . 4.630 3.714 3.072 4.763 0.133 10 0 "[ . 1 . 2]" 1
853 1 79 GLY H 1 99 GLY HA3 . . 4.750 2.781 2.488 3.349 . 0 0 "[ . 1 . 2]" 1
854 1 79 GLY HA2 1 80 ARG H . . 3.250 2.122 2.067 2.188 . 0 0 "[ . 1 . 2]" 1
855 1 79 GLY HA2 1 80 ARG QB . . 5.340 4.386 4.089 4.567 . 0 0 "[ . 1 . 2]" 1
856 1 79 GLY HA2 1 96 TYR HA . . 5.500 5.421 5.083 5.651 0.151 1 0 "[ . 1 . 2]" 1
857 1 79 GLY HA2 1 96 TYR QD . . 5.020 4.813 4.413 5.112 0.092 3 0 "[ . 1 . 2]" 1
858 1 79 GLY HA2 1 97 ARG H . . 4.270 3.341 2.957 3.714 . 0 0 "[ . 1 . 2]" 1
859 1 79 GLY HA2 1 97 ARG HA . . 5.500 4.657 4.497 4.810 . 0 0 "[ . 1 . 2]" 1
860 1 79 GLY HA2 1 97 ARG HG2 . . 5.500 5.265 5.010 5.563 0.063 1 0 "[ . 1 . 2]" 1
861 1 79 GLY HA2 1 99 GLY HA2 . . 4.570 3.494 2.940 4.135 . 0 0 "[ . 1 . 2]" 1
862 1 79 GLY HA2 1 99 GLY HA3 . . 5.460 2.784 2.542 2.987 . 0 0 "[ . 1 . 2]" 1
863 1 79 GLY HA2 1 111 ALA HA . . 5.480 3.550 3.297 4.029 . 0 0 "[ . 1 . 2]" 1
864 1 79 GLY HA3 1 96 TYR HA . . 5.320 4.595 4.413 4.732 . 0 0 "[ . 1 . 2]" 1
865 1 79 GLY HA3 1 96 TYR QB . . 4.400 1.967 1.808 2.107 . 0 0 "[ . 1 . 2]" 1
866 1 79 GLY HA3 1 97 ARG H . . 5.210 3.211 2.919 3.495 . 0 0 "[ . 1 . 2]" 1
867 1 79 GLY HA3 1 99 GLY HA2 . . 5.020 5.056 4.564 5.807 0.787 10 2 "[ - . + . 2]" 1
868 1 79 GLY HA3 1 111 ALA HA . . 5.320 3.558 3.321 3.985 . 0 0 "[ . 1 . 2]" 1
869 1 79 GLY HA3 1 112 THR H . . 5.500 3.587 3.353 4.146 . 0 0 "[ . 1 . 2]" 1
870 1 80 ARG H 1 80 ARG HB2 . . 3.470 2.765 2.313 3.581 0.111 13 0 "[ . 1 . 2]" 1
871 1 80 ARG H 1 80 ARG QB . . 2.990 2.484 2.216 2.660 . 0 0 "[ . 1 . 2]" 1
872 1 80 ARG H 1 80 ARG HB3 . . 3.470 3.327 2.239 3.568 0.098 20 0 "[ . 1 . 2]" 1
873 1 80 ARG H 1 81 SER H . . 4.820 4.535 4.486 4.610 . 0 0 "[ . 1 . 2]" 1
874 1 80 ARG H 1 97 ARG HB2 . . 5.000 2.117 1.761 2.602 . 0 0 "[ . 1 . 2]" 1
875 1 80 ARG H 1 97 ARG HG2 . . 4.320 4.147 3.860 4.376 0.056 13 0 "[ . 1 . 2]" 1
876 1 80 ARG H 1 98 ASP H . . 4.860 4.348 4.100 4.733 . 0 0 "[ . 1 . 2]" 1
877 1 80 ARG H 1 99 GLY HA2 . . 5.340 3.073 2.626 3.783 . 0 0 "[ . 1 . 2]" 1
878 1 80 ARG H 1 99 GLY HA3 . . 4.550 3.491 3.065 3.849 . 0 0 "[ . 1 . 2]" 1
879 1 80 ARG HA 1 81 SER HA . . 5.500 4.250 4.105 4.375 . 0 0 "[ . 1 . 2]" 1
880 1 80 ARG HA 1 99 GLY HA2 . . 5.500 4.173 3.753 4.868 . 0 0 "[ . 1 . 2]" 1
881 1 80 ARG QB 1 80 ARG QD . . 3.070 2.250 2.098 2.704 . 0 0 "[ . 1 . 2]" 1
882 1 80 ARG QB 1 81 SER H . . 3.480 2.335 2.149 2.725 . 0 0 "[ . 1 . 2]" 1
883 1 80 ARG QB 1 97 ARG H . . 4.650 4.257 3.891 4.847 0.197 8 0 "[ . 1 . 2]" 1
884 1 80 ARG HB2 1 81 SER H . . 4.030 3.211 2.296 3.703 . 0 0 "[ . 1 . 2]" 1
885 1 80 ARG HB3 1 81 SER H . . 4.030 2.647 2.178 4.034 0.004 17 0 "[ . 1 . 2]" 1
886 1 80 ARG QD 1 81 SER H . . 4.880 4.273 2.670 4.863 . 0 0 "[ . 1 . 2]" 1
887 1 81 SER H 1 81 SER HB2 . . 4.150 3.335 2.430 3.561 . 0 0 "[ . 1 . 2]" 1
888 1 81 SER H 1 81 SER QB . . 3.350 2.511 2.200 2.587 . 0 0 "[ . 1 . 2]" 1
889 1 81 SER H 1 81 SER HB3 . . 4.150 2.715 2.514 3.543 . 0 0 "[ . 1 . 2]" 1
890 1 81 SER H 1 82 ASN H . . 4.770 4.504 4.354 4.611 . 0 0 "[ . 1 . 2]" 1
891 1 81 SER H 1 82 ASN QB . . 5.130 4.946 4.721 5.103 . 0 0 "[ . 1 . 2]" 1
892 1 81 SER HA 1 82 ASN H . . 3.210 2.130 2.030 2.210 . 0 0 "[ . 1 . 2]" 1
893 1 81 SER HA 1 82 ASN HA . . 5.390 4.413 4.294 4.495 . 0 0 "[ . 1 . 2]" 1
894 1 81 SER HA 1 96 TYR QD . . 5.050 3.646 3.281 3.971 . 0 0 "[ . 1 . 2]" 1
895 1 81 SER HA 1 96 TYR QE . . 4.060 2.979 2.632 3.157 . 0 0 "[ . 1 . 2]" 1
896 1 81 SER QB 1 82 ASN H . . 3.630 3.213 2.967 3.659 0.029 20 0 "[ . 1 . 2]" 1
897 1 81 SER QB 1 82 ASN HA . . 4.250 4.263 4.171 4.353 0.103 20 0 "[ . 1 . 2]" 1
898 1 81 SER QB 1 96 TYR QE . . 4.560 4.442 4.085 4.665 0.105 20 0 "[ . 1 . 2]" 1
899 1 81 SER HB2 1 82 ASN H . . 4.390 3.476 3.062 4.201 . 0 0 "[ . 1 . 2]" 1
900 1 81 SER HB3 1 82 ASN H . . 4.390 4.007 3.413 4.294 . 0 0 "[ . 1 . 2]" 1
901 1 82 ASN H 1 83 ALA H . . 5.310 4.260 4.124 4.370 . 0 0 "[ . 1 . 2]" 1
902 1 82 ASN H 1 83 ALA MB . . 5.500 4.516 4.370 4.710 . 0 0 "[ . 1 . 2]" 1
903 1 82 ASN H 1 96 TYR QD . . 4.370 3.002 2.521 3.560 . 0 0 "[ . 1 . 2]" 1
904 1 82 ASN HA 1 82 ASN HD21 . . 4.320 4.662 4.581 4.731 0.411 6 0 "[ . 1 . 2]" 1
905 1 82 ASN HA 1 83 ALA H . . 3.400 2.351 2.146 2.586 . 0 0 "[ . 1 . 2]" 1
906 1 82 ASN HA 1 83 ALA MB . . 5.090 3.876 3.698 3.986 . 0 0 "[ . 1 . 2]" 1
907 1 82 ASN QB 1 83 ALA H . . 3.470 3.471 3.226 3.590 0.120 12 0 "[ . 1 . 2]" 1
908 1 82 ASN QB 1 84 LYS H . . 4.990 3.655 3.389 3.882 . 0 0 "[ . 1 . 2]" 1
909 1 82 ASN HB2 1 83 ALA H . . 4.110 4.034 3.948 4.115 0.005 10 0 "[ . 1 . 2]" 1
910 1 82 ASN HB3 1 83 ALA H . . 4.110 3.796 3.399 4.061 . 0 0 "[ . 1 . 2]" 1
911 1 82 ASN HD21 1 96 TYR QB . . 4.850 5.628 5.259 5.806 0.956 3 19 "[**+*** ********-****]" 1
912 1 83 ALA H 1 84 LYS H . . 3.810 2.081 1.933 2.217 . 0 0 "[ . 1 . 2]" 1
913 1 83 ALA H 1 84 LYS HB2 . . 5.020 4.457 4.255 4.714 . 0 0 "[ . 1 . 2]" 1
914 1 83 ALA H 1 84 LYS HD3 . . 3.590 3.627 3.178 3.712 0.122 11 0 "[ . 1 . 2]" 1
915 1 83 ALA MB 1 84 LYS HA . . 5.500 3.997 3.901 4.124 . 0 0 "[ . 1 . 2]" 1
916 1 84 LYS H 1 84 LYS HB2 . . 3.600 2.631 2.540 2.802 . 0 0 "[ . 1 . 2]" 1
917 1 84 LYS H 1 84 LYS HD2 . . 5.500 4.336 4.185 4.508 . 0 0 "[ . 1 . 2]" 1
918 1 84 LYS H 1 84 LYS HD3 . . 4.200 3.204 2.957 3.418 . 0 0 "[ . 1 . 2]" 1
919 1 84 LYS H 1 84 LYS QE . . 5.370 4.477 3.730 4.951 . 0 0 "[ . 1 . 2]" 1
920 1 84 LYS HA 1 84 LYS HD2 . . 4.830 2.726 2.528 2.947 . 0 0 "[ . 1 . 2]" 1
921 1 84 LYS HA 1 84 LYS HD3 . . 4.720 2.284 2.106 2.431 . 0 0 "[ . 1 . 2]" 1
922 1 84 LYS HA 1 84 LYS QE . . 5.390 4.140 4.054 4.272 . 0 0 "[ . 1 . 2]" 1
923 1 84 LYS HA 1 85 LEU HB2 . . 4.920 4.510 4.351 4.658 . 0 0 "[ . 1 . 2]" 1
924 1 84 LYS HB2 1 84 LYS HD2 . . 3.680 3.665 3.636 3.709 0.029 15 0 "[ . 1 . 2]" 1
925 1 84 LYS HB2 1 84 LYS HD3 . . 3.800 3.713 3.659 3.750 . 0 0 "[ . 1 . 2]" 1
926 1 84 LYS HB2 1 84 LYS QE . . 4.710 4.287 4.104 4.416 . 0 0 "[ . 1 . 2]" 1
927 1 84 LYS HB2 1 85 LEU H . . 5.260 4.329 4.185 4.435 . 0 0 "[ . 1 . 2]" 1
928 1 84 LYS HB3 1 84 LYS HD2 . . 3.390 2.452 2.395 2.534 . 0 0 "[ . 1 . 2]" 1
929 1 84 LYS HB3 1 84 LYS HD3 . . 3.230 3.183 3.071 3.243 0.013 4 0 "[ . 1 . 2]" 1
930 1 84 LYS HB3 1 84 LYS QE . . 3.710 3.811 3.779 3.843 0.133 6 0 "[ . 1 . 2]" 1
931 1 85 LEU H 1 85 LEU HB2 . . 3.920 2.401 2.308 2.484 . 0 0 "[ . 1 . 2]" 1
932 1 85 LEU HA 1 86 SER H . . 3.390 2.214 2.027 2.346 . 0 0 "[ . 1 . 2]" 1
933 1 85 LEU HB2 1 86 SER H . . 4.200 3.953 3.765 4.125 . 0 0 "[ . 1 . 2]" 1
934 1 85 LEU HB3 1 86 SER H . . 4.270 2.868 2.636 3.079 . 0 0 "[ . 1 . 2]" 1
935 1 85 LEU HB3 1 93 GLN H . . 5.190 4.789 4.522 5.020 . 0 0 "[ . 1 . 2]" 1
936 1 86 SER H 1 86 SER QB . . 3.520 2.536 2.463 2.648 . 0 0 "[ . 1 . 2]" 1
937 1 86 SER H 1 93 GLN H . . 4.070 3.385 3.142 3.759 . 0 0 "[ . 1 . 2]" 1
938 1 86 SER H 1 94 LEU HG . . 4.880 4.487 4.087 4.919 0.039 9 0 "[ . 1 . 2]" 1
939 1 86 SER HA 1 87 TYR H . . 3.550 2.200 2.116 2.284 . 0 0 "[ . 1 . 2]" 1
940 1 86 SER QB 1 87 TYR H . . 4.180 2.952 2.694 3.248 . 0 0 "[ . 1 . 2]" 1
941 1 86 SER QB 1 93 GLN H . . 4.750 3.471 3.230 3.870 . 0 0 "[ . 1 . 2]" 1
942 1 86 SER QB 1 93 GLN QB . . 4.450 2.887 2.285 3.414 . 0 0 "[ . 1 . 2]" 1
943 1 86 SER QB 1 93 GLN QG . . 5.180 4.805 4.296 5.195 0.015 20 0 "[ . 1 . 2]" 1
944 1 87 TYR H 1 87 TYR HB2 . . 4.140 2.796 2.692 2.968 . 0 0 "[ . 1 . 2]" 1
945 1 87 TYR H 1 87 TYR QD . . 4.950 4.303 4.248 4.375 . 0 0 "[ . 1 . 2]" 1
946 1 87 TYR HA 1 87 TYR QD . . 4.120 2.901 2.103 3.188 . 0 0 "[ . 1 . 2]" 1
947 1 87 TYR HA 1 88 TYR H . . 3.210 2.127 2.040 2.198 . 0 0 "[ . 1 . 2]" 1
948 1 87 TYR HA 1 93 GLN H . . 4.670 2.954 2.660 3.146 . 0 0 "[ . 1 . 2]" 1
949 1 87 TYR QD 1 88 TYR H . . 4.330 2.593 1.867 3.202 . 0 0 "[ . 1 . 2]" 1
950 1 87 TYR QD 1 88 TYR HA . . 4.510 3.521 3.120 4.560 0.050 4 0 "[ . 1 . 2]" 1
951 1 87 TYR QD 1 91 MET H . . 4.210 4.135 3.614 4.278 0.068 14 0 "[ . 1 . 2]" 1
952 1 87 TYR QD 1 92 ILE HB . . 5.460 5.444 4.741 5.554 0.094 18 0 "[ . 1 . 2]" 1
953 1 87 TYR QD 1 92 ILE HG12 . . 4.070 3.471 2.537 4.094 0.024 12 0 "[ . 1 . 2]" 1
954 1 87 TYR QE 1 89 ASP HA . . 4.530 2.918 2.012 4.046 . 0 0 "[ . 1 . 2]" 1
955 1 87 TYR QE 1 90 GLY HA2 . . 5.190 4.499 4.196 4.742 . 0 0 "[ . 1 . 2]" 1
956 1 87 TYR QE 1 90 GLY QA . . 4.510 4.185 3.896 4.400 . 0 0 "[ . 1 . 2]" 1
957 1 87 TYR QE 1 90 GLY HA3 . . 5.190 4.988 4.569 5.212 0.022 8 0 "[ . 1 . 2]" 1
958 1 87 TYR QE 1 92 ILE HG12 . . 5.050 3.812 3.036 4.485 . 0 0 "[ . 1 . 2]" 1
959 1 88 TYR H 1 88 TYR QD . . 4.900 3.638 2.688 4.304 . 0 0 "[ . 1 . 2]" 1
960 1 88 TYR H 1 91 MET H . . 4.270 3.701 3.503 3.956 . 0 0 "[ . 1 . 2]" 1
961 1 88 TYR H 1 92 ILE HA . . 4.790 2.838 2.404 3.351 . 0 0 "[ . 1 . 2]" 1
962 1 88 TYR HA 1 88 TYR QD . . 4.320 2.623 2.283 2.997 . 0 0 "[ . 1 . 2]" 1
963 1 88 TYR HA 1 88 TYR QE . . 4.240 4.385 4.325 4.498 0.258 2 0 "[ . 1 . 2]" 1
964 1 90 GLY H 1 91 MET H . . 4.330 3.076 2.675 3.495 . 0 0 "[ . 1 . 2]" 1
965 1 90 GLY QA 1 91 MET QB . . 5.180 4.040 3.835 4.355 . 0 0 "[ . 1 . 2]" 1
966 1 90 GLY QA 1 91 MET QG . . 5.180 4.017 3.209 4.656 . 0 0 "[ . 1 . 2]" 1
967 1 91 MET H 1 91 MET QB . . 3.620 3.129 2.767 3.361 . 0 0 "[ . 1 . 2]" 1
968 1 91 MET H 1 91 MET QG . . 3.890 3.290 2.496 3.883 . 0 0 "[ . 1 . 2]" 1
969 1 91 MET HA 1 92 ILE H . . 3.530 2.329 2.138 2.729 . 0 0 "[ . 1 . 2]" 1
970 1 91 MET HA 1 92 ILE HB . . 5.500 4.750 4.517 4.994 . 0 0 "[ . 1 . 2]" 1
971 1 91 MET QB 1 116 PHE HB2 . . 3.720 3.818 3.744 3.890 0.170 15 0 "[ . 1 . 2]" 1
972 1 91 MET QB 1 117 LEU QB . . 5.180 4.805 4.208 5.208 0.028 11 0 "[ . 1 . 2]" 1
973 1 91 MET HB2 1 92 ILE H . . 5.200 2.867 1.904 3.826 . 0 0 "[ . 1 . 2]" 1
974 1 91 MET HB3 1 92 ILE H . . 5.200 3.183 1.827 3.917 . 0 0 "[ . 1 . 2]" 1
975 1 91 MET QG 1 92 ILE H . . 4.950 3.775 3.079 4.326 . 0 0 "[ . 1 . 2]" 1
976 1 92 ILE H 1 92 ILE HB . . 4.140 2.570 2.464 2.801 . 0 0 "[ . 1 . 2]" 1
977 1 92 ILE H 1 116 PHE H . . 4.400 3.668 3.050 4.058 . 0 0 "[ . 1 . 2]" 1
978 1 92 ILE H 1 116 PHE HB2 . . 5.200 2.842 2.519 3.303 . 0 0 "[ . 1 . 2]" 1
979 1 92 ILE H 1 116 PHE HB3 . . 5.410 4.213 3.817 4.752 . 0 0 "[ . 1 . 2]" 1
980 1 92 ILE H 1 146 ALA MB . . 4.660 3.540 3.015 3.998 . 0 0 "[ . 1 . 2]" 1
981 1 92 ILE HA 1 93 GLN H . . 3.380 2.233 2.188 2.269 . 0 0 "[ . 1 . 2]" 1
982 1 92 ILE HB 1 93 GLN H . . 5.130 4.021 3.969 4.080 . 0 0 "[ . 1 . 2]" 1
983 1 92 ILE HB 1 116 PHE H . . 4.620 3.900 3.551 4.313 . 0 0 "[ . 1 . 2]" 1
984 1 92 ILE HB 1 116 PHE HB2 . . 4.070 2.213 1.949 2.644 . 0 0 "[ . 1 . 2]" 1
985 1 92 ILE HB 1 116 PHE HB3 . . 4.490 3.443 3.121 3.896 . 0 0 "[ . 1 . 2]" 1
986 1 92 ILE HB 1 116 PHE QD . . 4.250 3.298 2.994 3.601 . 0 0 "[ . 1 . 2]" 1
987 1 93 GLN H 1 93 GLN QG . . 4.330 3.280 3.122 3.452 . 0 0 "[ . 1 . 2]" 1
988 1 93 GLN H 1 94 LEU HA . . 5.120 4.669 4.533 4.763 . 0 0 "[ . 1 . 2]" 1
989 1 93 GLN HA 1 94 LEU H . . 3.240 2.239 2.159 2.389 . 0 0 "[ . 1 . 2]" 1
990 1 93 GLN HA 1 94 LEU QB . . 5.000 3.921 3.835 4.018 . 0 0 "[ . 1 . 2]" 1
991 1 93 GLN HA 1 114 ILE H . . 5.430 4.350 3.987 4.529 . 0 0 "[ . 1 . 2]" 1
992 1 93 GLN HA 1 116 PHE H . . 4.990 3.126 2.953 3.382 . 0 0 "[ . 1 . 2]" 1
993 1 93 GLN HA 1 116 PHE QD . . 4.980 2.427 2.175 2.645 . 0 0 "[ . 1 . 2]" 1
994 1 93 GLN HA 1 116 PHE QE . . 5.500 3.290 3.007 3.535 . 0 0 "[ . 1 . 2]" 1
995 1 93 GLN QB 1 94 LEU H . . 3.900 2.791 2.524 2.925 . 0 0 "[ . 1 . 2]" 1
996 1 93 GLN QB 1 95 THR H . . 5.500 4.857 4.729 5.224 . 0 0 "[ . 1 . 2]" 1
997 1 93 GLN QG 1 94 LEU H . . 4.460 3.816 3.628 3.958 . 0 0 "[ . 1 . 2]" 1
998 1 93 GLN QG 1 115 THR HA . . 4.400 2.101 1.788 2.418 . 0 0 "[ . 1 . 2]" 1
999 1 93 GLN QG 1 116 PHE H . . 4.230 3.354 2.967 3.690 . 0 0 "[ . 1 . 2]" 1
1000 1 93 GLN QG 1 116 PHE QD . . 4.700 3.976 3.576 4.195 . 0 0 "[ . 1 . 2]" 1
1001 1 93 GLN QG 1 138 ASN HD21 . . 4.450 4.849 4.692 5.166 0.716 6 1 "[ .+ 1 . 2]" 1
1002 1 93 GLN HG2 1 94 LEU H . . 5.110 4.002 3.787 4.160 . 0 0 "[ . 1 . 2]" 1
1003 1 93 GLN HG2 1 115 THR HA . . 5.230 2.142 1.801 2.481 . 0 0 "[ . 1 . 2]" 1
1004 1 93 GLN HG3 1 94 LEU H . . 5.110 4.814 4.548 4.960 . 0 0 "[ . 1 . 2]" 1
1005 1 93 GLN HG3 1 115 THR HA . . 5.230 3.078 2.541 3.469 . 0 0 "[ . 1 . 2]" 1
1006 1 94 LEU H 1 94 LEU HB2 . . 4.080 2.854 2.748 2.945 . 0 0 "[ . 1 . 2]" 1
1007 1 94 LEU H 1 94 LEU QB . . 3.470 2.482 2.438 2.567 . 0 0 "[ . 1 . 2]" 1
1008 1 94 LEU H 1 94 LEU HB3 . . 4.080 2.730 2.655 2.841 . 0 0 "[ . 1 . 2]" 1
1009 1 94 LEU H 1 114 ILE H . . 3.900 2.517 2.251 2.675 . 0 0 "[ . 1 . 2]" 1
1010 1 94 LEU H 1 114 ILE HB . . 5.050 2.963 2.683 3.142 . 0 0 "[ . 1 . 2]" 1
1011 1 94 LEU H 1 116 PHE H . . 5.500 4.924 4.715 5.191 . 0 0 "[ . 1 . 2]" 1
1012 1 94 LEU H 1 116 PHE QD . . 5.350 3.633 3.444 3.928 . 0 0 "[ . 1 . 2]" 1
1013 1 94 LEU H 1 116 PHE QE . . 4.750 2.777 2.513 2.942 . 0 0 "[ . 1 . 2]" 1
1014 1 94 LEU HA 1 95 THR H . . 3.200 2.160 2.116 2.212 . 0 0 "[ . 1 . 2]" 1
1015 1 94 LEU QB 1 95 THR H . . 4.430 3.762 3.726 3.798 . 0 0 "[ . 1 . 2]" 1
1016 1 94 LEU QB 1 114 ILE H . . 4.630 2.903 2.673 3.112 . 0 0 "[ . 1 . 2]" 1
1017 1 94 LEU QB 1 116 PHE QD . . 4.810 3.934 3.790 4.028 . 0 0 "[ . 1 . 2]" 1
1018 1 94 LEU QB 1 116 PHE QE . . 3.950 1.957 1.841 2.058 . 0 0 "[ . 1 . 2]" 1
1019 1 94 LEU QB 1 116 PHE HZ . . 4.960 3.000 2.808 3.264 . 0 0 "[ . 1 . 2]" 1
1020 1 94 LEU HB2 1 116 PHE QE . . 4.630 2.003 1.858 2.148 . 0 0 "[ . 1 . 2]" 1
1021 1 94 LEU HB3 1 116 PHE QE . . 4.630 2.819 2.575 3.162 . 0 0 "[ . 1 . 2]" 1
1022 1 94 LEU HG 1 95 THR H . . 4.720 3.732 3.550 4.013 . 0 0 "[ . 1 . 2]" 1
1023 1 95 THR H 1 95 THR HB . . 3.920 2.580 2.472 2.992 . 0 0 "[ . 1 . 2]" 1
1024 1 95 THR HA 1 96 TYR H . . 3.440 2.198 2.089 2.242 . 0 0 "[ . 1 . 2]" 1
1025 1 95 THR HA 1 113 LEU HA . . 4.030 2.697 2.471 3.046 . 0 0 "[ . 1 . 2]" 1
1026 1 95 THR HA 1 113 LEU HG . . 5.500 5.101 4.514 5.353 . 0 0 "[ . 1 . 2]" 1
1027 1 95 THR HA 1 114 ILE H . . 4.700 3.993 3.659 4.329 . 0 0 "[ . 1 . 2]" 1
1028 1 95 THR HB 1 96 TYR H . . 5.110 4.172 4.068 4.316 . 0 0 "[ . 1 . 2]" 1
1029 1 96 TYR H 1 96 TYR QD . . 5.150 3.259 2.985 3.398 . 0 0 "[ . 1 . 2]" 1
1030 1 96 TYR H 1 111 ALA HA . . 5.260 4.998 4.526 5.325 0.065 14 0 "[ . 1 . 2]" 1
1031 1 96 TYR H 1 111 ALA MB . . 4.900 3.531 3.262 3.782 . 0 0 "[ . 1 . 2]" 1
1032 1 96 TYR H 1 112 THR H . . 3.940 3.066 2.557 3.413 . 0 0 "[ . 1 . 2]" 1
1033 1 96 TYR H 1 112 THR HB . . 5.140 3.744 3.182 4.203 . 0 0 "[ . 1 . 2]" 1
1034 1 96 TYR H 1 113 LEU HA . . 5.060 3.724 3.526 3.957 . 0 0 "[ . 1 . 2]" 1
1035 1 96 TYR HA 1 96 TYR QD . . 4.030 2.661 2.526 2.835 . 0 0 "[ . 1 . 2]" 1
1036 1 96 TYR HA 1 96 TYR QE . . 4.600 4.364 4.250 4.517 . 0 0 "[ . 1 . 2]" 1
1037 1 96 TYR HA 1 97 ARG H . . 3.280 2.558 2.435 2.747 . 0 0 "[ . 1 . 2]" 1
1038 1 96 TYR HA 1 112 THR H . . 5.130 4.880 4.682 5.105 . 0 0 "[ . 1 . 2]" 1
1039 1 96 TYR QB 1 97 ARG H . . 4.800 1.978 1.864 2.164 . 0 0 "[ . 1 . 2]" 1
1040 1 96 TYR QB 1 111 ALA HA . . 5.460 3.786 3.497 4.062 . 0 0 "[ . 1 . 2]" 1
1041 1 96 TYR QB 1 112 THR H . . 4.510 2.380 2.101 2.600 . 0 0 "[ . 1 . 2]" 1
1042 1 96 TYR QB 1 112 THR HB . . 4.440 2.421 2.162 2.749 . 0 0 "[ . 1 . 2]" 1
1043 1 96 TYR QD 1 97 ARG H . . 4.410 2.794 2.462 3.230 . 0 0 "[ . 1 . 2]" 1
1044 1 96 TYR QD 1 112 THR HA . . 5.500 4.889 4.723 5.309 . 0 0 "[ . 1 . 2]" 1
1045 1 96 TYR QD 1 112 THR HB . . 4.890 2.223 2.050 2.739 . 0 0 "[ . 1 . 2]" 1
1046 1 96 TYR QD 1 114 ILE HG12 . . 5.500 5.038 4.699 5.246 . 0 0 "[ . 1 . 2]" 1
1047 1 96 TYR QE 1 112 THR HB . . 4.640 4.237 4.052 4.648 0.008 20 0 "[ . 1 . 2]" 1
1048 1 97 ARG H 1 97 ARG HB3 . . 3.760 3.615 3.560 3.667 . 0 0 "[ . 1 . 2]" 1
1049 1 97 ARG H 1 97 ARG QD . . 5.090 3.510 3.206 3.726 . 0 0 "[ . 1 . 2]" 1
1050 1 97 ARG H 1 97 ARG HG2 . . 3.680 2.429 2.236 2.664 . 0 0 "[ . 1 . 2]" 1
1051 1 97 ARG H 1 98 ASP H . . 4.800 4.458 4.359 4.529 . 0 0 "[ . 1 . 2]" 1
1052 1 97 ARG HA 1 97 ARG QD . . 5.000 2.023 1.869 2.136 . 0 0 "[ . 1 . 2]" 1
1053 1 97 ARG HA 1 97 ARG HG2 . . 3.710 3.049 2.919 3.254 . 0 0 "[ . 1 . 2]" 1
1054 1 97 ARG HA 1 98 ASP H . . 3.350 2.497 2.402 2.586 . 0 0 "[ . 1 . 2]" 1
1055 1 97 ARG HA 1 98 ASP HA . . 4.600 4.234 4.141 4.296 . 0 0 "[ . 1 . 2]" 1
1056 1 97 ARG HA 1 99 GLY H . . 4.950 4.578 4.412 4.718 . 0 0 "[ . 1 . 2]" 1
1057 1 97 ARG HB2 1 97 ARG QD . . 3.590 3.439 3.290 3.527 . 0 0 "[ . 1 . 2]" 1
1058 1 97 ARG HB2 1 98 ASP H . . 3.300 3.191 3.075 3.307 0.007 19 0 "[ . 1 . 2]" 1
1059 1 97 ARG HB2 1 98 ASP HA . . 5.500 5.247 5.120 5.339 . 0 0 "[ . 1 . 2]" 1
1060 1 97 ARG HB3 1 97 ARG QD . . 3.380 2.795 2.384 3.109 . 0 0 "[ . 1 . 2]" 1
1061 1 97 ARG HB3 1 97 ARG HG2 . . 2.990 2.997 2.973 3.019 0.029 3 0 "[ . 1 . 2]" 1
1062 1 97 ARG HB3 1 98 ASP H . . 3.790 1.919 1.848 1.981 . 0 0 "[ . 1 . 2]" 1
1063 1 97 ARG HB3 1 98 ASP HB2 . . 5.110 5.147 4.968 5.219 0.109 3 0 "[ . 1 . 2]" 1
1064 1 97 ARG HB3 1 98 ASP HB3 . . 4.860 4.146 3.933 4.413 . 0 0 "[ . 1 . 2]" 1
1065 1 97 ARG HB3 1 99 GLY H . . 5.270 3.187 2.732 3.659 . 0 0 "[ . 1 . 2]" 1
1066 1 97 ARG QD 1 98 ASP H . . 4.780 3.622 3.161 4.069 . 0 0 "[ . 1 . 2]" 1
1067 1 98 ASP H 1 99 GLY H . . 3.790 2.795 2.583 2.916 . 0 0 "[ . 1 . 2]" 1
1068 1 98 ASP H 1 109 PRO HB2 . . 5.010 4.699 4.521 4.855 . 0 0 "[ . 1 . 2]" 1
1069 1 98 ASP HA 1 109 PRO HB2 . . 3.990 2.074 1.919 2.325 . 0 0 "[ . 1 . 2]" 1
1070 1 98 ASP HA 1 109 PRO HB3 . . 3.840 2.984 2.254 3.507 . 0 0 "[ . 1 . 2]" 1
1071 1 98 ASP HB2 1 109 PRO HB3 . . 5.500 2.030 1.842 2.535 . 0 0 "[ . 1 . 2]" 1
1072 1 98 ASP HB3 1 99 GLY H . . 5.380 3.849 3.724 3.984 . 0 0 "[ . 1 . 2]" 1
1073 1 98 ASP HB3 1 109 PRO HB3 . . 5.500 3.397 2.945 3.767 . 0 0 "[ . 1 . 2]" 1
1074 1 99 GLY H 1 100 THR H . . 5.430 4.461 4.327 4.651 . 0 0 "[ . 1 . 2]" 1
1075 1 99 GLY H 1 109 PRO HB2 . . 4.880 4.900 4.784 4.998 0.118 9 0 "[ . 1 . 2]" 1
1076 1 99 GLY H 1 109 PRO HB3 . . 4.900 4.944 4.755 5.004 0.104 6 0 "[ . 1 . 2]" 1
1077 1 99 GLY HA3 1 110 ARG H . . 5.230 4.562 4.138 4.986 . 0 0 "[ . 1 . 2]" 1
1078 1 100 THR H 1 100 THR HB . . 3.630 2.573 2.367 2.732 . 0 0 "[ . 1 . 2]" 1
1079 1 100 THR H 1 110 ARG H . . 5.340 3.493 3.169 3.857 . 0 0 "[ . 1 . 2]" 1
1080 1 100 THR HA 1 101 PRO HD2 . . 3.460 2.241 2.052 2.406 . 0 0 "[ . 1 . 2]" 1
1081 1 100 THR HA 1 101 PRO QG . . 4.940 3.977 3.853 4.077 . 0 0 "[ . 1 . 2]" 1
1082 1 101 PRO HA 1 102 TYR H . . 3.210 2.164 2.029 2.213 . 0 0 "[ . 1 . 2]" 1
1083 1 101 PRO HA 1 102 TYR QD . . 5.060 3.686 3.210 4.632 . 0 0 "[ . 1 . 2]" 1
1084 1 101 PRO HA 1 109 PRO HA . . 3.590 1.994 1.880 2.301 . 0 0 "[ . 1 . 2]" 1
1085 1 101 PRO HA 1 109 PRO HB2 . . 5.060 4.635 4.507 4.895 . 0 0 "[ . 1 . 2]" 1
1086 1 101 PRO HA 1 109 PRO HB3 . . 4.780 4.208 4.071 4.542 . 0 0 "[ . 1 . 2]" 1
1087 1 101 PRO HA 1 110 ARG H . . 4.150 2.557 2.279 2.865 . 0 0 "[ . 1 . 2]" 1
1088 1 101 PRO HA 1 110 ARG QB . . 5.020 4.092 2.840 4.482 . 0 0 "[ . 1 . 2]" 1
1089 1 101 PRO HB2 1 102 TYR H . . 4.100 2.895 2.725 3.756 . 0 0 "[ . 1 . 2]" 1
1090 1 101 PRO HB2 1 108 THR HA . . 5.040 4.380 3.994 4.696 . 0 0 "[ . 1 . 2]" 1
1091 1 101 PRO HB2 1 110 ARG H . . 5.500 5.132 4.842 5.419 . 0 0 "[ . 1 . 2]" 1
1092 1 101 PRO HB3 1 102 TYR H . . 4.160 3.644 3.475 4.098 . 0 0 "[ . 1 . 2]" 1
1093 1 101 PRO HB3 1 107 ARG HA . . 3.980 3.819 3.304 4.078 0.098 18 0 "[ . 1 . 2]" 1
1094 1 101 PRO HB3 1 108 THR H . . 4.250 3.919 3.393 4.251 0.001 10 0 "[ . 1 . 2]" 1
1095 1 101 PRO HD3 1 102 TYR H . . 5.430 5.468 5.417 5.499 0.069 1 0 "[ . 1 . 2]" 1
1096 1 101 PRO QG 1 102 TYR H . . 4.930 4.258 4.062 4.735 . 0 0 "[ . 1 . 2]" 1
1097 1 101 PRO QG 1 108 THR H . . 4.800 4.727 4.211 4.946 0.146 11 0 "[ . 1 . 2]" 1
1098 1 102 TYR H 1 102 TYR HB2 . . 3.490 2.694 2.594 3.136 . 0 0 "[ . 1 . 2]" 1
1099 1 102 TYR H 1 102 TYR QD . . 3.520 2.152 1.687 2.986 . 0 0 "[ . 1 . 2]" 1
1100 1 102 TYR H 1 102 TYR QE . . 5.090 4.103 3.906 4.331 . 0 0 "[ . 1 . 2]" 1
1101 1 102 TYR H 1 104 ASN H . . 5.150 4.530 4.040 5.241 0.091 3 0 "[ . 1 . 2]" 1
1102 1 102 TYR H 1 108 THR H . . 4.750 3.625 3.143 4.300 . 0 0 "[ . 1 . 2]" 1
1103 1 102 TYR H 1 109 PRO HA . . 4.080 3.868 3.633 4.092 0.012 6 0 "[ . 1 . 2]" 1
1104 1 102 TYR H 1 110 ARG H . . 4.580 4.033 3.309 4.386 . 0 0 "[ . 1 . 2]" 1
1105 1 102 TYR H 1 110 ARG QB . . 5.340 4.676 3.181 5.205 . 0 0 "[ . 1 . 2]" 1
1106 1 102 TYR HA 1 102 TYR QD . . 3.790 3.003 2.507 3.269 . 0 0 "[ . 1 . 2]" 1
1107 1 102 TYR HB2 1 103 ASN H . . 5.280 2.373 1.796 3.820 . 0 0 "[ . 1 . 2]" 1
1108 1 102 TYR HB2 1 104 ASN H . . 3.930 3.029 2.370 3.950 0.020 11 0 "[ . 1 . 2]" 1
1109 1 102 TYR HB2 1 108 THR H . . 4.350 3.584 2.826 4.386 0.036 20 0 "[ . 1 . 2]" 1
1110 1 102 TYR HB2 1 108 THR HB . . 5.170 3.434 3.049 4.101 . 0 0 "[ . 1 . 2]" 1
1111 1 102 TYR HB3 1 103 ASN H . . 5.100 2.668 1.926 4.341 . 0 0 "[ . 1 . 2]" 1
1112 1 102 TYR HB3 1 104 ASN H . . 5.240 3.916 2.558 5.217 . 0 0 "[ . 1 . 2]" 1
1113 1 102 TYR HB3 1 110 ARG HE . . 4.970 4.573 4.092 5.054 0.084 4 0 "[ . 1 . 2]" 1
1114 1 102 TYR QD 1 103 ASN H . . 4.850 3.939 3.613 4.838 . 0 0 "[ . 1 . 2]" 1
1115 1 102 TYR QD 1 108 THR HB . . 2.890 2.116 1.818 2.404 . 0 0 "[ . 1 . 2]" 1
1116 1 102 TYR QD 1 110 ARG H . . 5.450 4.753 4.214 5.454 0.004 2 0 "[ . 1 . 2]" 1
1117 1 102 TYR QD 1 110 ARG QB . . 4.850 4.666 3.265 4.946 0.096 12 0 "[ . 1 . 2]" 1
1118 1 102 TYR QD 1 110 ARG HE . . 4.950 3.533 2.379 4.474 . 0 0 "[ . 1 . 2]" 1
1119 1 102 TYR QD 1 110 ARG QG . . 5.080 3.012 2.416 4.423 . 0 0 "[ . 1 . 2]" 1
1120 1 102 TYR QE 1 108 THR HB . . 3.220 3.130 2.382 3.318 0.098 11 0 "[ . 1 . 2]" 1
1121 1 102 TYR QE 1 110 ARG HA . . 4.050 3.393 2.949 3.725 . 0 0 "[ . 1 . 2]" 1
1122 1 102 TYR QE 1 110 ARG QG . . 4.240 3.024 2.504 3.687 . 0 0 "[ . 1 . 2]" 1
1123 1 102 TYR QE 1 111 ALA H . . 4.990 4.850 4.249 5.116 0.126 7 0 "[ . 1 . 2]" 1
1124 1 102 TYR QE 1 135 SER H . . 5.010 4.915 4.282 5.096 0.086 18 0 "[ . 1 . 2]" 1
1125 1 102 TYR QE 1 135 SER QB . . 4.550 2.931 2.022 4.451 . 0 0 "[ . 1 . 2]" 1
1126 1 103 ASN H 1 104 ASN H . . 4.640 2.062 1.486 3.938 . 0 0 "[ . 1 . 2]" 1
1127 1 103 ASN HA 1 104 ASN H . . 3.230 2.909 2.140 3.160 . 0 0 "[ . 1 . 2]" 1
1128 1 104 ASN H 1 104 ASN QB . . 3.490 2.812 2.640 3.169 . 0 0 "[ . 1 . 2]" 1
1129 1 104 ASN H 1 107 ARG H . . 3.410 3.495 3.068 3.557 0.147 16 0 "[ . 1 . 2]" 1
1130 1 104 ASN H 1 107 ARG HA . . 3.900 3.297 2.594 3.632 . 0 0 "[ . 1 . 2]" 1
1131 1 104 ASN H 1 108 THR H . . 4.670 3.647 3.235 4.327 . 0 0 "[ . 1 . 2]" 1
1132 1 104 ASN HA 1 106 LYS H . . 5.500 4.267 3.985 4.571 . 0 0 "[ . 1 . 2]" 1
1133 1 104 ASN QB 1 105 GLU H . . 3.980 2.324 2.055 2.660 . 0 0 "[ . 1 . 2]" 1
1134 1 104 ASN QB 1 105 GLU QB . . 5.180 3.907 3.482 4.431 . 0 0 "[ . 1 . 2]" 1
1135 1 104 ASN QB 1 106 LYS H . . 4.540 2.866 2.079 3.256 . 0 0 "[ . 1 . 2]" 1
1136 1 104 ASN QB 1 106 LYS QB . . 5.180 3.654 2.776 4.415 . 0 0 "[ . 1 . 2]" 1
1137 1 104 ASN QB 1 107 ARG H . . 5.300 3.695 2.443 4.074 . 0 0 "[ . 1 . 2]" 1
1138 1 104 ASN HB2 1 105 GLU H . . 4.650 2.399 2.067 3.112 . 0 0 "[ . 1 . 2]" 1
1139 1 104 ASN HB2 1 106 LYS H . . 5.420 2.912 2.226 3.329 . 0 0 "[ . 1 . 2]" 1
1140 1 104 ASN HB3 1 105 GLU H . . 4.650 3.623 2.163 3.916 . 0 0 "[ . 1 . 2]" 1
1141 1 104 ASN HB3 1 106 LYS H . . 5.420 4.336 2.492 4.616 . 0 0 "[ . 1 . 2]" 1
1142 1 104 ASN HD21 1 106 LYS H . . 5.140 3.866 2.691 5.277 0.137 11 0 "[ . 1 . 2]" 1
1143 1 104 ASN HD21 1 108 THR H . . 4.420 2.718 2.428 3.849 . 0 0 "[ . 1 . 2]" 1
1144 1 104 ASN HD21 1 108 THR HB . . 4.920 2.622 2.297 3.228 . 0 0 "[ . 1 . 2]" 1
1145 1 105 GLU H 1 105 GLU QG . . 4.880 3.307 1.975 3.993 . 0 0 "[ . 1 . 2]" 1
1146 1 105 GLU H 1 106 LYS H . . 4.620 2.642 2.475 2.833 . 0 0 "[ . 1 . 2]" 1
1147 1 105 GLU HA 1 107 ARG H . . 5.500 4.003 3.701 4.334 . 0 0 "[ . 1 . 2]" 1
1148 1 105 GLU QB 1 105 GLU QG . . 2.360 2.069 1.997 2.088 . 0 0 "[ . 1 . 2]" 1
1149 1 105 GLU QB 1 106 LYS H . . 3.780 2.806 2.434 3.580 . 0 0 "[ . 1 . 2]" 1
1150 1 105 GLU QG 1 106 LYS H . . 4.710 3.783 2.420 4.606 . 0 0 "[ . 1 . 2]" 1
1151 1 106 LYS H 1 106 LYS HB2 . . 3.960 2.551 2.352 2.624 . 0 0 "[ . 1 . 2]" 1
1152 1 106 LYS H 1 106 LYS QB . . 3.270 2.253 2.142 2.485 . 0 0 "[ . 1 . 2]" 1
1153 1 106 LYS H 1 106 LYS HB3 . . 3.960 2.612 2.332 3.642 . 0 0 "[ . 1 . 2]" 1
1154 1 106 LYS H 1 106 LYS QG . . 4.000 3.728 2.239 4.028 0.028 13 0 "[ . 1 . 2]" 1
1155 1 106 LYS H 1 107 ARG H . . 3.470 2.494 2.338 2.645 . 0 0 "[ . 1 . 2]" 1
1156 1 106 LYS HA 1 106 LYS QD . . 3.820 3.826 3.260 4.039 0.219 15 0 "[ . 1 . 2]" 1
1157 1 106 LYS HA 1 106 LYS QE . . 5.340 4.588 3.901 5.089 . 0 0 "[ . 1 . 2]" 1
1158 1 106 LYS HA 1 106 LYS QG . . 3.570 2.461 2.301 2.615 . 0 0 "[ . 1 . 2]" 1
1159 1 106 LYS QB 1 106 LYS QD . . 2.650 2.101 2.002 2.271 . 0 0 "[ . 1 . 2]" 1
1160 1 106 LYS QB 1 106 LYS QE . . 3.670 3.380 1.916 3.768 0.098 12 0 "[ . 1 . 2]" 1
1161 1 106 LYS HB2 1 106 LYS QD . . 3.120 2.443 2.217 3.243 0.123 7 0 "[ . 1 . 2]" 1
1162 1 106 LYS HB2 1 107 ARG H . . 5.400 4.018 2.832 4.351 . 0 0 "[ . 1 . 2]" 1
1163 1 106 LYS HB3 1 106 LYS QD . . 3.120 2.375 2.232 2.972 . 0 0 "[ . 1 . 2]" 1
1164 1 106 LYS HB3 1 107 ARG H . . 5.400 3.286 2.795 3.955 . 0 0 "[ . 1 . 2]" 1
1165 1 107 ARG H 1 107 ARG QB . . 3.590 3.258 2.688 3.412 . 0 0 "[ . 1 . 2]" 1
1166 1 107 ARG H 1 107 ARG QD . . 4.530 3.342 2.256 4.697 0.167 14 0 "[ . 1 . 2]" 1
1167 1 107 ARG HA 1 107 ARG QD . . 4.210 2.805 1.891 3.887 . 0 0 "[ . 1 . 2]" 1
1168 1 107 ARG HA 1 107 ARG QG . . 3.570 2.677 2.361 3.042 . 0 0 "[ . 1 . 2]" 1
1169 1 107 ARG HA 1 108 THR H . . 3.240 2.252 2.015 2.684 . 0 0 "[ . 1 . 2]" 1
1170 1 107 ARG HA 1 108 THR HB . . 5.500 4.689 4.494 5.098 . 0 0 "[ . 1 . 2]" 1
1171 1 107 ARG QB 1 107 ARG QD . . 3.090 2.415 1.981 2.855 . 0 0 "[ . 1 . 2]" 1
1172 1 107 ARG QD 1 108 THR H . . 5.340 4.623 3.679 5.471 0.131 3 0 "[ . 1 . 2]" 1
1173 1 108 THR H 1 108 THR HB . . 3.410 2.473 2.385 2.594 . 0 0 "[ . 1 . 2]" 1
1174 1 108 THR H 1 109 PRO HD3 . . 5.260 4.683 4.467 4.904 . 0 0 "[ . 1 . 2]" 1
1175 1 108 THR HA 1 109 PRO HD2 . . 2.930 2.029 1.974 2.131 . 0 0 "[ . 1 . 2]" 1
1176 1 108 THR HA 1 109 PRO HD3 . . 3.080 2.459 2.265 2.615 . 0 0 "[ . 1 . 2]" 1
1177 1 109 PRO HA 1 110 ARG H . . 3.400 2.172 2.094 2.222 . 0 0 "[ . 1 . 2]" 1
1178 1 109 PRO HB3 1 110 ARG H . . 4.550 3.819 3.633 4.068 . 0 0 "[ . 1 . 2]" 1
1179 1 110 ARG H 1 110 ARG QB . . 3.510 2.399 2.248 2.625 . 0 0 "[ . 1 . 2]" 1
1180 1 110 ARG H 1 110 ARG QD . . 5.020 4.026 3.736 4.596 . 0 0 "[ . 1 . 2]" 1
1181 1 110 ARG H 1 111 ALA H . . 5.430 4.396 4.256 4.587 . 0 0 "[ . 1 . 2]" 1
1182 1 110 ARG HA 1 111 ALA H . . 3.370 2.170 2.070 2.371 . 0 0 "[ . 1 . 2]" 1
1183 1 110 ARG HA 1 111 ALA HA . . 4.980 4.373 4.299 4.433 . 0 0 "[ . 1 . 2]" 1
1184 1 110 ARG HA 1 111 ALA MB . . 4.980 3.952 3.797 4.027 . 0 0 "[ . 1 . 2]" 1
1185 1 110 ARG HA 1 136 THR HA . . 4.350 4.061 3.799 4.379 0.029 13 0 "[ . 1 . 2]" 1
1186 1 110 ARG QB 1 111 ALA H . . 4.330 3.236 2.655 3.901 . 0 0 "[ . 1 . 2]" 1
1187 1 110 ARG QB 1 137 TYR QE . . 5.230 2.135 1.831 3.811 . 0 0 "[ . 1 . 2]" 1
1188 1 110 ARG QG 1 137 TYR QE . . 4.810 2.714 1.837 4.055 . 0 0 "[ . 1 . 2]" 1
1189 1 111 ALA H 1 111 ALA MB . . 3.540 2.511 2.487 2.545 . 0 0 "[ . 1 . 2]" 1
1190 1 111 ALA H 1 136 THR H . . 4.970 4.997 4.731 5.175 0.205 8 0 "[ . 1 . 2]" 1
1191 1 111 ALA H 1 136 THR HA . . 4.050 2.450 2.313 2.539 . 0 0 "[ . 1 . 2]" 1
1192 1 111 ALA H 1 137 TYR H . . 5.020 3.541 3.351 3.751 . 0 0 "[ . 1 . 2]" 1
1193 1 111 ALA H 1 137 TYR QD . . 5.350 3.192 2.800 3.702 . 0 0 "[ . 1 . 2]" 1
1194 1 111 ALA HA 1 112 THR H . . 3.270 2.365 2.284 2.442 . 0 0 "[ . 1 . 2]" 1
1195 1 111 ALA MB 1 112 THR H . . 3.780 2.379 2.253 2.544 . 0 0 "[ . 1 . 2]" 1
1196 1 111 ALA MB 1 136 THR HA . . 3.810 3.010 2.382 3.360 . 0 0 "[ . 1 . 2]" 1
1197 1 111 ALA MB 1 137 TYR H . . 4.970 4.050 3.725 4.253 . 0 0 "[ . 1 . 2]" 1
1198 1 112 THR H 1 112 THR HB . . 3.810 2.586 2.515 2.669 . 0 0 "[ . 1 . 2]" 1
1199 1 112 THR HA 1 113 LEU H . . 3.210 2.165 2.127 2.208 . 0 0 "[ . 1 . 2]" 1
1200 1 112 THR HA 1 113 LEU HA . . 4.990 4.387 4.318 4.424 . 0 0 "[ . 1 . 2]" 1
1201 1 112 THR HA 1 137 TYR H . . 3.980 2.557 2.306 2.782 . 0 0 "[ . 1 . 2]" 1
1202 1 112 THR HA 1 137 TYR HB2 . . 4.750 2.478 2.261 2.592 . 0 0 "[ . 1 . 2]" 1
1203 1 112 THR HA 1 137 TYR HB3 . . 5.360 4.022 3.802 4.187 . 0 0 "[ . 1 . 2]" 1
1204 1 112 THR HA 1 137 TYR QD . . 5.500 3.595 3.130 4.013 . 0 0 "[ . 1 . 2]" 1
1205 1 112 THR HA 1 138 ASN HA . . 5.390 4.734 4.594 4.869 . 0 0 "[ . 1 . 2]" 1
1206 1 113 LEU H 1 113 LEU HB2 . . 3.640 2.907 2.426 3.011 . 0 0 "[ . 1 . 2]" 1
1207 1 113 LEU H 1 137 TYR H . . 4.460 3.635 3.369 3.841 . 0 0 "[ . 1 . 2]" 1
1208 1 113 LEU H 1 137 TYR HB2 . . 5.350 3.714 3.545 3.849 . 0 0 "[ . 1 . 2]" 1
1209 1 113 LEU H 1 137 TYR HB3 . . 5.260 4.617 4.377 4.737 . 0 0 "[ . 1 . 2]" 1
1210 1 113 LEU H 1 138 ASN HA . . 4.190 2.986 2.910 3.096 . 0 0 "[ . 1 . 2]" 1
1211 1 113 LEU H 1 138 ASN HB2 . . 5.500 5.535 5.480 5.590 0.090 6 0 "[ . 1 . 2]" 1
1212 1 113 LEU HA 1 114 ILE H . . 3.050 2.111 2.007 2.147 . 0 0 "[ . 1 . 2]" 1
1213 1 113 LEU HA 1 138 ASN HA . . 5.180 4.778 4.696 4.868 . 0 0 "[ . 1 . 2]" 1
1214 1 113 LEU HB2 1 114 ILE H . . 4.860 4.408 4.106 4.447 . 0 0 "[ . 1 . 2]" 1
1215 1 113 LEU HB2 1 138 ASN HA . . 4.520 4.323 3.384 4.529 0.009 11 0 "[ . 1 . 2]" 1
1216 1 113 LEU HB3 1 138 ASN HA . . 5.490 2.851 2.558 3.593 . 0 0 "[ . 1 . 2]" 1
1217 1 113 LEU HB3 1 138 ASN HB2 . . 5.470 4.723 4.527 5.450 . 0 0 "[ . 1 . 2]" 1
1218 1 113 LEU HB3 1 139 PHE H . . 4.760 4.243 3.967 4.437 . 0 0 "[ . 1 . 2]" 1
1219 1 114 ILE H 1 114 ILE HB . . 3.380 2.610 2.563 2.806 . 0 0 "[ . 1 . 2]" 1
1220 1 114 ILE HA 1 115 THR H . . 3.300 2.166 2.099 2.269 . 0 0 "[ . 1 . 2]" 1
1221 1 114 ILE HA 1 139 PHE H . . 4.250 2.453 2.318 2.614 . 0 0 "[ . 1 . 2]" 1
1222 1 114 ILE HB 1 115 THR H . . 4.620 4.189 4.120 4.250 . 0 0 "[ . 1 . 2]" 1
1223 1 114 ILE HG12 1 127 PRO HB3 . . 5.190 4.958 4.633 5.202 0.012 14 0 "[ . 1 . 2]" 1
1224 1 114 ILE HG12 1 139 PHE H . . 5.320 4.118 3.742 5.362 0.042 20 0 "[ . 1 . 2]" 1
1225 1 114 ILE HG12 1 139 PHE HB2 . . 5.120 2.562 2.274 3.641 . 0 0 "[ . 1 . 2]" 1
1226 1 114 ILE HG12 1 139 PHE HB3 . . 5.440 4.009 3.715 4.886 . 0 0 "[ . 1 . 2]" 1
1227 1 115 THR H 1 115 THR HB . . 3.600 2.519 2.352 3.641 0.041 6 0 "[ . 1 . 2]" 1
1228 1 115 THR H 1 139 PHE H . . 4.830 3.249 3.089 3.474 . 0 0 "[ . 1 . 2]" 1
1229 1 115 THR H 1 139 PHE HB2 . . 4.900 3.782 3.478 4.013 . 0 0 "[ . 1 . 2]" 1
1230 1 115 THR H 1 140 ARG HA . . 3.950 3.225 2.815 3.595 . 0 0 "[ . 1 . 2]" 1
1231 1 115 THR H 1 141 TRP H . . 5.060 3.772 3.581 3.935 . 0 0 "[ . 1 . 2]" 1
1232 1 115 THR HA 1 116 PHE H . . 3.390 2.156 2.090 2.193 . 0 0 "[ . 1 . 2]" 1
1233 1 115 THR HA 1 116 PHE QD . . 4.790 3.103 2.933 3.499 . 0 0 "[ . 1 . 2]" 1
1234 1 115 THR HB 1 116 PHE QD . . 5.310 5.425 5.349 5.452 0.142 10 0 "[ . 1 . 2]" 1
1235 1 115 THR HB 1 140 ARG HA . . 4.420 2.753 2.382 4.085 . 0 0 "[ . 1 . 2]" 1
1236 1 115 THR HB 1 140 ARG QG . . 5.140 3.964 2.879 5.166 0.026 1 0 "[ . 1 . 2]" 1
1237 1 115 THR HB 1 141 TRP H . . 5.100 3.707 3.374 4.373 . 0 0 "[ . 1 . 2]" 1
1238 1 116 PHE H 1 116 PHE QD . . 4.020 2.133 1.999 2.517 . 0 0 "[ . 1 . 2]" 1
1239 1 116 PHE HA 1 116 PHE QD . . 4.360 3.139 2.908 3.196 . 0 0 "[ . 1 . 2]" 1
1240 1 116 PHE HA 1 117 LEU H . . 3.250 2.113 2.084 2.192 . 0 0 "[ . 1 . 2]" 1
1241 1 116 PHE HA 1 141 TRP H . . 3.980 2.908 2.591 3.251 . 0 0 "[ . 1 . 2]" 1
1242 1 116 PHE HA 1 141 TRP HB2 . . 4.840 3.592 3.453 3.739 . 0 0 "[ . 1 . 2]" 1
1243 1 116 PHE HA 1 141 TRP HB3 . . 5.190 2.085 1.906 2.212 . 0 0 "[ . 1 . 2]" 1
1244 1 116 PHE HA 1 141 TRP HD1 . . 5.500 4.152 3.716 4.440 . 0 0 "[ . 1 . 2]" 1
1245 1 116 PHE HA 1 146 ALA MB . . 5.500 3.984 3.747 4.512 . 0 0 "[ . 1 . 2]" 1
1246 1 116 PHE HB2 1 117 LEU H . . 4.950 4.134 4.061 4.238 . 0 0 "[ . 1 . 2]" 1
1247 1 116 PHE HB2 1 146 ALA MB . . 4.380 2.961 2.581 3.386 . 0 0 "[ . 1 . 2]" 1
1248 1 116 PHE HB3 1 117 LEU H . . 4.470 3.281 3.165 3.439 . 0 0 "[ . 1 . 2]" 1
1249 1 116 PHE HB3 1 146 ALA MB . . 4.100 2.170 1.895 2.681 . 0 0 "[ . 1 . 2]" 1
1250 1 116 PHE QD 1 117 LEU H . . 5.280 4.411 4.277 4.532 . 0 0 "[ . 1 . 2]" 1
1251 1 116 PHE QD 1 141 TRP H . . 5.190 4.989 4.782 5.150 . 0 0 "[ . 1 . 2]" 1
1252 1 116 PHE QD 1 141 TRP HB2 . . 4.150 4.164 4.073 4.199 0.049 10 0 "[ . 1 . 2]" 1
1253 1 116 PHE QD 1 141 TRP HB3 . . 4.880 3.049 2.861 3.208 . 0 0 "[ . 1 . 2]" 1
1254 1 116 PHE QD 1 146 ALA MB . . 5.280 3.283 2.856 3.869 . 0 0 "[ . 1 . 2]" 1
1255 1 116 PHE QE 1 141 TRP HZ2 . . 5.470 4.666 4.161 5.038 . 0 0 "[ . 1 . 2]" 1
1256 1 117 LEU H 1 117 LEU HG . . 4.350 3.735 2.689 4.349 . 0 0 "[ . 1 . 2]" 1
1257 1 117 LEU H 1 140 ARG HA . . 5.500 5.254 5.005 5.400 . 0 0 "[ . 1 . 2]" 1
1258 1 117 LEU H 1 141 TRP H . . 4.670 3.547 3.203 3.738 . 0 0 "[ . 1 . 2]" 1
1259 1 117 LEU H 1 141 TRP HB2 . . 5.140 4.979 4.843 5.123 . 0 0 "[ . 1 . 2]" 1
1260 1 117 LEU H 1 142 TYR HA . . 4.600 2.975 2.769 3.226 . 0 0 "[ . 1 . 2]" 1
1261 1 117 LEU H 1 142 TYR QD . . 5.500 4.660 4.342 4.911 . 0 0 "[ . 1 . 2]" 1
1262 1 117 LEU H 1 143 THR H . . 4.600 3.366 3.190 3.803 . 0 0 "[ . 1 . 2]" 1
1263 1 117 LEU HA 1 118 CYS H . . 3.310 2.238 2.074 2.429 . 0 0 "[ . 1 . 2]" 1
1264 1 117 LEU HA 1 118 CYS QB . . 5.200 4.072 3.940 4.221 . 0 0 "[ . 1 . 2]" 1
1265 1 117 LEU HA 1 146 ALA MB . . 4.890 3.724 3.153 4.199 . 0 0 "[ . 1 . 2]" 1
1266 1 117 LEU QB 1 118 CYS H . . 4.000 2.529 2.280 2.708 . 0 0 "[ . 1 . 2]" 1
1267 1 117 LEU QB 1 119 ASP H . . 5.030 4.575 2.491 5.057 0.027 16 0 "[ . 1 . 2]" 1
1268 1 117 LEU QB 1 142 TYR HA . . 4.630 2.760 2.585 3.218 . 0 0 "[ . 1 . 2]" 1
1269 1 117 LEU QB 1 142 TYR QE . . 4.750 3.296 2.754 4.139 . 0 0 "[ . 1 . 2]" 1
1270 1 117 LEU HB2 1 118 CYS H . . 4.670 3.664 3.231 3.891 . 0 0 "[ . 1 . 2]" 1
1271 1 117 LEU HB2 1 142 TYR HA . . 5.450 2.794 2.620 3.271 . 0 0 "[ . 1 . 2]" 1
1272 1 117 LEU HB2 1 142 TYR QD . . 4.540 2.831 2.303 3.191 . 0 0 "[ . 1 . 2]" 1
1273 1 117 LEU HB2 1 142 TYR QE . . 5.460 3.589 3.188 4.370 . 0 0 "[ . 1 . 2]" 1
1274 1 117 LEU HB3 1 118 CYS H . . 4.670 2.578 2.330 2.767 . 0 0 "[ . 1 . 2]" 1
1275 1 117 LEU HB3 1 142 TYR HA . . 5.450 4.281 3.894 4.774 . 0 0 "[ . 1 . 2]" 1
1276 1 117 LEU HB3 1 142 TYR QD . . 4.540 3.625 3.128 4.077 . 0 0 "[ . 1 . 2]" 1
1277 1 117 LEU HB3 1 142 TYR QE . . 5.460 3.874 3.011 5.122 . 0 0 "[ . 1 . 2]" 1
1278 1 117 LEU HG 1 118 CYS H . . 4.780 4.810 4.585 4.876 0.096 9 0 "[ . 1 . 2]" 1
1279 1 117 LEU HG 1 142 TYR HA . . 4.920 4.814 4.247 4.992 0.072 2 0 "[ . 1 . 2]" 1
1280 1 118 CYS CB 1 147 CYS SG . . 3.100 3.051 2.972 3.107 0.007 5 0 "[ . 1 . 2]" 1
1281 1 118 CYS H 1 118 CYS HB2 . . 3.830 2.822 2.688 3.036 . 0 0 "[ . 1 . 2]" 1
1282 1 118 CYS H 1 118 CYS QB . . 3.280 2.285 2.191 2.430 . 0 0 "[ . 1 . 2]" 1
1283 1 118 CYS H 1 118 CYS HB3 . . 3.830 2.421 2.289 2.596 . 0 0 "[ . 1 . 2]" 1
1284 1 118 CYS H 1 146 ALA MB . . 4.310 3.915 2.946 4.367 0.057 19 0 "[ . 1 . 2]" 1
1285 1 118 CYS HA 1 119 ASP H . . 3.400 2.217 2.061 3.331 . 0 0 "[ . 1 . 2]" 1
1286 1 118 CYS HA 1 146 ALA MB . . 4.210 2.920 1.977 3.729 . 0 0 "[ . 1 . 2]" 1
1287 1 118 CYS HA 1 147 CYS HA . . 4.870 4.204 2.926 5.068 0.198 7 0 "[ . 1 . 2]" 1
1288 1 118 CYS QB 1 146 ALA MB . . 4.870 3.544 2.337 4.539 . 0 0 "[ . 1 . 2]" 1
1289 1 118 CYS QB 1 147 CYS HA . . 3.800 2.872 2.330 3.246 . 0 0 "[ . 1 . 2]" 1
1290 1 118 CYS QB 1 148 PRO QD . . 4.890 3.688 2.753 4.558 . 0 0 "[ . 1 . 2]" 1
1291 1 118 CYS HB2 1 119 ASP H . . 5.290 4.285 4.068 4.561 . 0 0 "[ . 1 . 2]" 1
1292 1 118 CYS HB2 1 147 CYS HA . . 4.470 2.916 2.344 3.328 . 0 0 "[ . 1 . 2]" 1
1293 1 118 CYS HB3 1 119 ASP H . . 5.290 4.306 3.468 4.483 . 0 0 "[ . 1 . 2]" 1
1294 1 118 CYS HB3 1 147 CYS HA . . 4.470 4.393 3.797 4.549 0.079 8 0 "[ . 1 . 2]" 1
1295 1 118 CYS SG 1 147 CYS CB . . 3.100 3.011 2.989 3.046 . 0 0 "[ . 1 . 2]" 1
1296 1 118 CYS SG 1 147 CYS SG . . 2.100 2.019 1.990 2.033 . 0 0 "[ . 1 . 2]" 1
1297 1 119 ASP H 1 142 TYR HA . . 4.570 4.332 3.489 4.622 0.052 10 0 "[ . 1 . 2]" 1
1298 1 119 ASP H 1 142 TYR HB3 . . 5.500 4.406 3.794 4.942 . 0 0 "[ . 1 . 2]" 1
1299 1 119 ASP H 1 143 THR H . . 4.000 3.484 2.870 3.851 . 0 0 "[ . 1 . 2]" 1
1300 1 119 ASP H 1 146 ALA MB . . 5.090 4.349 3.709 5.121 0.031 9 0 "[ . 1 . 2]" 1
1301 1 123 GLY H 1 124 VAL H . . 5.120 3.879 2.989 4.308 . 0 0 "[ . 1 . 2]" 1
1302 1 123 GLY H 1 125 GLY H . . 4.060 3.874 2.964 4.201 0.141 12 0 "[ . 1 . 2]" 1
1303 1 123 GLY H 1 125 GLY HA2 . . 5.210 4.162 3.412 4.799 . 0 0 "[ . 1 . 2]" 1
1304 1 123 GLY H 1 144 SER H . . 4.530 3.424 2.436 4.415 . 0 0 "[ . 1 . 2]" 1
1305 1 123 GLY H 1 144 SER QB . . 4.430 3.802 2.872 4.491 0.061 19 0 "[ . 1 . 2]" 1
1306 1 123 GLY QA 1 124 VAL H . . 3.030 2.141 2.038 2.325 . 0 0 "[ . 1 . 2]" 1
1307 1 123 GLY QA 1 125 GLY H . . 4.440 3.591 2.925 4.070 . 0 0 "[ . 1 . 2]" 1
1308 1 123 GLY QA 1 144 SER H . . 4.820 3.924 3.048 4.860 0.040 17 0 "[ . 1 . 2]" 1
1309 1 123 GLY HA2 1 144 SER H . . 5.500 4.119 3.099 5.583 0.083 17 0 "[ . 1 . 2]" 1
1310 1 123 GLY HA3 1 144 SER H . . 5.500 5.057 4.510 5.533 0.033 13 0 "[ . 1 . 2]" 1
1311 1 124 VAL H 1 124 VAL HB . . 3.320 2.636 2.382 3.512 0.192 18 0 "[ . 1 . 2]" 1
1312 1 124 VAL H 1 125 GLY H . . 3.650 2.462 2.258 2.704 . 0 0 "[ . 1 . 2]" 1
1313 1 124 VAL H 1 125 GLY HA2 . . 5.180 4.640 4.526 4.880 . 0 0 "[ . 1 . 2]" 1
1314 1 124 VAL H 1 145 TYR QE . . 4.500 4.052 3.525 4.473 . 0 0 "[ . 1 . 2]" 1
1315 1 124 VAL HA 1 141 TRP HE1 . . 5.390 4.566 4.113 5.367 . 0 0 "[ . 1 . 2]" 1
1316 1 124 VAL HA 1 143 THR HB . . 5.500 4.807 4.362 5.338 . 0 0 "[ . 1 . 2]" 1
1317 1 124 VAL HA 1 145 TYR QD . . 4.130 2.929 2.517 3.198 . 0 0 "[ . 1 . 2]" 1
1318 1 124 VAL HA 1 145 TYR QE . . 3.870 2.154 1.930 2.653 . 0 0 "[ . 1 . 2]" 1
1319 1 124 VAL HB 1 125 GLY H . . 3.730 3.787 3.509 3.839 0.109 17 0 "[ . 1 . 2]" 1
1320 1 124 VAL HB 1 145 TYR QE . . 4.830 3.795 3.305 4.833 0.003 13 0 "[ . 1 . 2]" 1
1321 1 125 GLY H 1 126 PHE H . . 3.820 3.915 3.838 3.994 0.174 11 0 "[ . 1 . 2]" 1
1322 1 125 GLY H 1 141 TRP HE1 . . 5.300 4.280 4.114 4.441 . 0 0 "[ . 1 . 2]" 1
1323 1 125 GLY HA2 1 126 PHE H . . 3.550 2.057 2.005 2.109 . 0 0 "[ . 1 . 2]" 1
1324 1 125 GLY HA2 1 141 TRP HE1 . . 4.000 3.692 2.980 4.152 0.152 5 0 "[ . 1 . 2]" 1
1325 1 125 GLY HA2 1 144 SER H . . 5.500 4.945 4.047 5.661 0.161 9 0 "[ . 1 . 2]" 1
1326 1 125 GLY HA3 1 126 PHE H . . 3.560 2.850 2.610 3.078 . 0 0 "[ . 1 . 2]" 1
1327 1 125 GLY HA3 1 141 TRP HD1 . . 5.030 3.011 2.743 3.281 . 0 0 "[ . 1 . 2]" 1
1328 1 125 GLY HA3 1 141 TRP HE1 . . 4.550 2.026 1.582 2.524 . 0 0 "[ . 1 . 2]" 1
1329 1 126 PHE H 1 127 PRO HD2 . . 5.500 4.856 4.575 5.052 . 0 0 "[ . 1 . 2]" 1
1330 1 126 PHE H 1 127 PRO HD3 . . 5.500 4.547 4.006 4.829 . 0 0 "[ . 1 . 2]" 1
1331 1 126 PHE H 1 141 TRP HD1 . . 4.860 4.406 3.691 4.868 0.008 20 0 "[ . 1 . 2]" 1
1332 1 126 PHE H 1 141 TRP HE1 . . 4.570 4.298 3.608 4.588 0.018 18 0 "[ . 1 . 2]" 1
1333 1 126 PHE H 1 142 TYR H . . 5.410 3.458 2.826 4.090 . 0 0 "[ . 1 . 2]" 1
1334 1 126 PHE H 1 142 TYR HB2 . . 3.990 3.668 3.102 4.052 0.062 10 0 "[ . 1 . 2]" 1
1335 1 127 PRO HA 1 128 GLU H . . 3.090 2.167 2.110 2.243 . 0 0 "[ . 1 . 2]" 1
1336 1 127 PRO HA 1 141 TRP HA . . 4.500 2.199 1.981 2.442 . 0 0 "[ . 1 . 2]" 1
1337 1 127 PRO HA 1 141 TRP HB2 . . 5.500 3.439 3.133 3.675 . 0 0 "[ . 1 . 2]" 1
1338 1 127 PRO HA 1 141 TRP HB3 . . 5.430 4.673 4.451 4.894 . 0 0 "[ . 1 . 2]" 1
1339 1 127 PRO HA 1 141 TRP HE3 . . 5.350 3.791 3.604 3.924 . 0 0 "[ . 1 . 2]" 1
1340 1 127 PRO HA 1 142 TYR H . . 4.970 3.832 3.539 4.129 . 0 0 "[ . 1 . 2]" 1
1341 1 127 PRO HB2 1 139 PHE QD . . 4.990 2.903 2.649 3.262 . 0 0 "[ . 1 . 2]" 1
1342 1 127 PRO HB2 1 141 TRP HE3 . . 4.720 3.816 3.630 4.027 . 0 0 "[ . 1 . 2]" 1
1343 1 127 PRO HB3 1 139 PHE QD . . 5.140 4.372 4.116 4.684 . 0 0 "[ . 1 . 2]" 1
1344 1 127 PRO HB3 1 141 TRP HE3 . . 5.470 2.238 2.116 2.373 . 0 0 "[ . 1 . 2]" 1
1345 1 127 PRO QD 1 141 TRP HH2 . . 5.350 3.687 3.379 4.109 . 0 0 "[ . 1 . 2]" 1
1346 1 127 PRO QD 1 141 TRP HZ2 . . 4.670 3.806 3.653 3.985 . 0 0 "[ . 1 . 2]" 1
1347 1 127 PRO HD2 1 141 TRP HZ2 . . 5.430 5.443 5.305 5.505 0.075 19 0 "[ . 1 . 2]" 1
1348 1 127 PRO HD3 1 141 TRP HZ2 . . 5.430 3.886 3.722 4.097 . 0 0 "[ . 1 . 2]" 1
1349 1 127 PRO HG3 1 141 TRP HE3 . . 4.400 3.783 3.334 4.077 . 0 0 "[ . 1 . 2]" 1
1350 1 127 PRO HG3 1 141 TRP HZ3 . . 4.390 3.029 2.652 3.364 . 0 0 "[ . 1 . 2]" 1
1351 1 128 GLU H 1 128 GLU HB2 . . 3.990 2.933 2.268 3.217 . 0 0 "[ . 1 . 2]" 1
1352 1 128 GLU H 1 128 GLU HB3 . . 3.650 2.683 2.470 3.602 . 0 0 "[ . 1 . 2]" 1
1353 1 128 GLU H 1 139 PHE HA . . 5.060 4.172 3.867 4.493 . 0 0 "[ . 1 . 2]" 1
1354 1 128 GLU H 1 139 PHE HB2 . . 4.900 4.910 4.733 4.982 0.082 9 0 "[ . 1 . 2]" 1
1355 1 128 GLU H 1 140 ARG H . . 3.650 2.609 2.323 2.874 . 0 0 "[ . 1 . 2]" 1
1356 1 128 GLU H 1 140 ARG QB . . 4.260 3.318 2.974 4.351 0.091 1 0 "[ . 1 . 2]" 1
1357 1 128 GLU H 1 140 ARG QG . . 4.170 4.159 2.901 4.278 0.108 2 0 "[ . 1 . 2]" 1
1358 1 128 GLU H 1 141 TRP H . . 5.450 4.668 4.538 4.836 . 0 0 "[ . 1 . 2]" 1
1359 1 128 GLU H 1 141 TRP HA . . 4.470 3.501 3.180 3.809 . 0 0 "[ . 1 . 2]" 1
1360 1 128 GLU H 1 141 TRP HE3 . . 5.500 5.342 4.994 5.540 0.040 5 0 "[ . 1 . 2]" 1
1361 1 128 GLU HA 1 129 TYR H . . 3.070 2.224 2.152 2.291 . 0 0 "[ . 1 . 2]" 1
1362 1 128 GLU HB2 1 129 TYR H . . 4.860 4.188 3.943 4.414 . 0 0 "[ . 1 . 2]" 1
1363 1 128 GLU HB2 1 140 ARG H . . 4.900 4.441 2.767 4.919 0.019 4 0 "[ . 1 . 2]" 1
1364 1 128 GLU HB2 1 140 ARG QG . . 4.940 4.406 2.980 5.038 0.098 2 0 "[ . 1 . 2]" 1
1365 1 128 GLU HB3 1 129 TYR H . . 4.480 3.938 2.968 4.178 . 0 0 "[ . 1 . 2]" 1
1366 1 128 GLU HB3 1 140 ARG H . . 3.850 3.262 2.758 3.904 0.054 9 0 "[ . 1 . 2]" 1
1367 1 128 GLU HB3 1 140 ARG QD . . 4.880 4.078 2.969 4.881 0.001 9 0 "[ . 1 . 2]" 1
1368 1 128 GLU HB3 1 140 ARG QG . . 4.160 3.567 2.133 4.280 0.120 7 0 "[ . 1 . 2]" 1
1369 1 128 GLU QG 1 129 TYR H . . 4.330 2.995 2.568 4.458 0.128 9 0 "[ . 1 . 2]" 1
1370 1 128 GLU QG 1 140 ARG H . . 5.180 4.334 4.081 5.131 . 0 0 "[ . 1 . 2]" 1
1371 1 128 GLU QG 1 140 ARG QG . . 4.720 4.452 3.266 4.834 0.114 3 0 "[ . 1 . 2]" 1
1372 1 129 TYR H 1 129 TYR HB2 . . 3.570 2.891 2.754 3.191 . 0 0 "[ . 1 . 2]" 1
1373 1 129 TYR H 1 129 TYR HB3 . . 3.580 2.504 2.390 2.699 . 0 0 "[ . 1 . 2]" 1
1374 1 129 TYR H 1 129 TYR QD . . 4.660 4.255 4.153 4.382 . 0 0 "[ . 1 . 2]" 1
1375 1 129 TYR H 1 139 PHE HA . . 5.160 4.876 4.637 5.123 . 0 0 "[ . 1 . 2]" 1
1376 1 129 TYR HA 1 129 TYR QD . . 3.730 2.474 2.409 2.578 . 0 0 "[ . 1 . 2]" 1
1377 1 129 TYR HA 1 129 TYR QE . . 4.520 4.540 4.519 4.561 0.041 5 0 "[ . 1 . 2]" 1
1378 1 129 TYR HA 1 130 GLN H . . 3.200 2.093 2.035 2.163 . 0 0 "[ . 1 . 2]" 1
1379 1 129 TYR HA 1 139 PHE HA . . 4.650 2.593 2.486 2.702 . 0 0 "[ . 1 . 2]" 1
1380 1 129 TYR HA 1 139 PHE QD . . 4.050 2.683 2.379 2.963 . 0 0 "[ . 1 . 2]" 1
1381 1 129 TYR HA 1 139 PHE QE . . 5.480 3.533 3.177 3.807 . 0 0 "[ . 1 . 2]" 1
1382 1 129 TYR HA 1 139 PHE HZ . . 5.340 4.966 4.675 5.258 . 0 0 "[ . 1 . 2]" 1
1383 1 129 TYR HA 1 140 ARG H . . 4.560 3.704 3.441 4.069 . 0 0 "[ . 1 . 2]" 1
1384 1 129 TYR HB2 1 139 PHE QE . . 4.930 2.189 2.112 2.282 . 0 0 "[ . 1 . 2]" 1
1385 1 129 TYR HB2 1 139 PHE HZ . . 5.300 3.885 3.778 3.996 . 0 0 "[ . 1 . 2]" 1
1386 1 129 TYR HB3 1 130 GLN H . . 4.400 4.324 4.197 4.454 0.054 9 0 "[ . 1 . 2]" 1
1387 1 129 TYR HB3 1 139 PHE QE . . 4.260 3.862 3.755 3.983 . 0 0 "[ . 1 . 2]" 1
1388 1 129 TYR HB3 1 139 PHE HZ . . 5.460 5.491 5.406 5.537 0.077 9 0 "[ . 1 . 2]" 1
1389 1 129 TYR QD 1 132 GLU H . . 4.800 4.877 4.787 4.929 0.129 17 0 "[ . 1 . 2]" 1
1390 1 129 TYR QE 1 130 GLN H . . 5.030 4.324 3.971 4.540 . 0 0 "[ . 1 . 2]" 1
1391 1 129 TYR QE 1 131 GLU HA . . 4.970 3.350 2.852 4.147 . 0 0 "[ . 1 . 2]" 1
1392 1 129 TYR QE 1 132 GLU H . . 5.500 3.172 2.868 3.312 . 0 0 "[ . 1 . 2]" 1
1393 1 129 TYR QE 1 137 TYR HB3 . . 5.120 2.490 2.081 3.168 . 0 0 "[ . 1 . 2]" 1
1394 1 129 TYR QE 1 138 ASN HB2 . . 5.180 5.249 5.218 5.284 0.104 3 0 "[ . 1 . 2]" 1
1395 1 130 GLN H 1 130 GLN HG2 . . 3.950 2.899 2.223 4.180 0.230 9 0 "[ . 1 . 2]" 1
1396 1 130 GLN H 1 131 GLU H . . 3.660 2.909 2.666 3.237 . 0 0 "[ . 1 . 2]" 1
1397 1 130 GLN H 1 138 ASN H . . 4.820 4.631 4.222 4.869 0.049 10 0 "[ . 1 . 2]" 1
1398 1 130 GLN H 1 138 ASN HB3 . . 5.350 4.584 4.240 4.935 . 0 0 "[ . 1 . 2]" 1
1399 1 130 GLN H 1 139 PHE HA . . 3.870 2.707 2.164 3.133 . 0 0 "[ . 1 . 2]" 1
1400 1 130 GLN H 1 140 ARG H . . 4.650 3.901 3.322 4.445 . 0 0 "[ . 1 . 2]" 1
1401 1 130 GLN HB2 1 131 GLU H . . 4.190 2.107 1.787 3.365 . 0 0 "[ . 1 . 2]" 1
1402 1 130 GLN HB2 1 138 ASN HB2 . . 5.260 3.323 2.435 3.963 . 0 0 "[ . 1 . 2]" 1
1403 1 130 GLN HB2 1 138 ASN HB3 . . 4.750 3.338 2.569 3.563 . 0 0 "[ . 1 . 2]" 1
1404 1 130 GLN HB3 1 131 GLU H . . 4.210 2.715 1.802 3.010 . 0 0 "[ . 1 . 2]" 1
1405 1 130 GLN HB3 1 138 ASN HB3 . . 4.790 4.567 2.709 4.860 0.070 2 0 "[ . 1 . 2]" 1
1406 1 130 GLN HG2 1 138 ASN HB3 . . 5.230 4.272 2.871 5.248 0.018 1 0 "[ . 1 . 2]" 1
1407 1 130 GLN HG2 1 140 ARG HE . . 5.500 4.283 3.390 5.531 0.031 9 0 "[ . 1 . 2]" 1
1408 1 131 GLU H 1 132 GLU H . . 5.010 3.945 3.745 4.107 . 0 0 "[ . 1 . 2]" 1
1409 1 131 GLU H 1 138 ASN HB2 . . 4.480 3.232 2.742 3.782 . 0 0 "[ . 1 . 2]" 1
1410 1 131 GLU H 1 138 ASN HB3 . . 5.270 4.201 3.600 4.761 . 0 0 "[ . 1 . 2]" 1
1411 1 131 GLU HA 1 132 GLU H . . 3.280 2.107 1.980 2.162 . 0 0 "[ . 1 . 2]" 1
1412 1 131 GLU QB 1 132 GLU H . . 3.440 3.186 2.828 3.516 0.076 7 0 "[ . 1 . 2]" 1
1413 1 131 GLU HB2 1 132 GLU H . . 4.170 3.478 2.899 4.254 0.084 5 0 "[ . 1 . 2]" 1
1414 1 131 GLU HB3 1 132 GLU H . . 4.170 3.998 3.105 4.254 0.084 14 0 "[ . 1 . 2]" 1
1415 1 132 GLU H 1 132 GLU QB . . 3.350 2.286 2.225 2.373 . 0 0 "[ . 1 . 2]" 1
1416 1 132 GLU H 1 132 GLU QG . . 4.550 4.091 4.041 4.159 . 0 0 "[ . 1 . 2]" 1
1417 1 132 GLU H 1 133 ASP H . . 5.500 4.406 4.329 4.493 . 0 0 "[ . 1 . 2]" 1
1418 1 132 GLU QB 1 133 ASP H . . 4.420 3.668 3.486 3.754 . 0 0 "[ . 1 . 2]" 1
1419 1 132 GLU QB 1 138 ASN H . . 4.120 4.039 3.815 4.158 0.038 11 0 "[ . 1 . 2]" 1
1420 1 132 GLU QG 1 133 ASP H . . 4.170 3.156 3.053 3.302 . 0 0 "[ . 1 . 2]" 1
1421 1 132 GLU QG 1 135 SER H . . 5.060 3.785 3.119 4.544 . 0 0 "[ . 1 . 2]" 1
1422 1 132 GLU QG 1 138 ASN H . . 4.600 4.429 4.212 4.623 0.023 1 0 "[ . 1 . 2]" 1
1423 1 132 GLU HG2 1 133 ASP H . . 4.800 3.222 3.108 3.391 . 0 0 "[ . 1 . 2]" 1
1424 1 132 GLU HG3 1 133 ASP H . . 4.800 4.537 4.252 4.669 . 0 0 "[ . 1 . 2]" 1
1425 1 133 ASP H 1 134 ASN QB . . 4.750 4.162 3.565 4.599 . 0 0 "[ . 1 . 2]" 1
1426 1 133 ASP H 1 134 ASN HD21 . . 5.170 4.094 3.422 4.623 . 0 0 "[ . 1 . 2]" 1
1427 1 133 ASP H 1 136 THR H . . 4.120 3.577 3.181 4.107 . 0 0 "[ . 1 . 2]" 1
1428 1 133 ASP H 1 137 TYR HA . . 4.890 4.349 3.834 4.797 . 0 0 "[ . 1 . 2]" 1
1429 1 134 ASN QB 1 135 SER H . . 4.110 3.914 2.473 4.124 0.014 18 0 "[ . 1 . 2]" 1
1430 1 134 ASN QB 1 136 THR H . . 4.770 3.647 2.011 4.069 . 0 0 "[ . 1 . 2]" 1
1431 1 134 ASN HB2 1 135 SER H . . 4.760 4.295 2.512 4.565 . 0 0 "[ . 1 . 2]" 1
1432 1 134 ASN HB2 1 136 THR H . . 5.500 3.852 2.026 4.401 . 0 0 "[ . 1 . 2]" 1
1433 1 134 ASN HB3 1 135 SER H . . 4.760 4.548 3.701 4.705 . 0 0 "[ . 1 . 2]" 1
1434 1 134 ASN HB3 1 136 THR H . . 5.500 4.574 3.363 5.045 . 0 0 "[ . 1 . 2]" 1
1435 1 135 SER H 1 136 THR H . . 3.550 2.532 1.682 2.821 . 0 0 "[ . 1 . 2]" 1
1436 1 135 SER HA 1 136 THR HA . . 5.150 4.405 4.293 4.631 . 0 0 "[ . 1 . 2]" 1
1437 1 136 THR H 1 136 THR HB . . 4.090 2.730 2.420 3.413 . 0 0 "[ . 1 . 2]" 1
1438 1 136 THR HA 1 137 TYR H . . 3.310 2.199 2.131 2.268 . 0 0 "[ . 1 . 2]" 1
1439 1 136 THR HB 1 137 TYR H . . 4.950 4.029 3.897 4.166 . 0 0 "[ . 1 . 2]" 1
1440 1 137 TYR H 1 137 TYR HB2 . . 4.080 2.400 2.351 2.458 . 0 0 "[ . 1 . 2]" 1
1441 1 137 TYR H 1 137 TYR QD . . 4.000 2.070 1.921 2.359 . 0 0 "[ . 1 . 2]" 1
1442 1 137 TYR HA 1 137 TYR QE . . 4.930 4.730 4.665 4.832 . 0 0 "[ . 1 . 2]" 1
1443 1 137 TYR HA 1 138 ASN H . . 3.200 2.137 2.095 2.200 . 0 0 "[ . 1 . 2]" 1
1444 1 137 TYR HA 1 138 ASN HB2 . . 5.500 4.308 4.249 4.410 . 0 0 "[ . 1 . 2]" 1
1445 1 137 TYR HB2 1 139 PHE QE . . 4.980 2.636 2.306 3.060 . 0 0 "[ . 1 . 2]" 1
1446 1 137 TYR HB3 1 138 ASN H . . 3.580 3.492 3.419 3.544 . 0 0 "[ . 1 . 2]" 1
1447 1 138 ASN H 1 138 ASN HB3 . . 4.010 3.569 3.536 3.616 . 0 0 "[ . 1 . 2]" 1
1448 1 138 ASN H 1 139 PHE H . . 5.360 4.363 4.316 4.454 . 0 0 "[ . 1 . 2]" 1
1449 1 138 ASN HA 1 139 PHE H . . 3.250 2.009 1.961 2.102 . 0 0 "[ . 1 . 2]" 1
1450 1 138 ASN HB3 1 139 PHE H . . 4.500 3.245 3.092 3.352 . 0 0 "[ . 1 . 2]" 1
1451 1 139 PHE H 1 139 PHE HB2 . . 4.070 2.576 2.521 2.684 . 0 0 "[ . 1 . 2]" 1
1452 1 139 PHE H 1 139 PHE QD . . 4.140 2.742 2.646 2.924 . 0 0 "[ . 1 . 2]" 1
1453 1 139 PHE HA 1 140 ARG H . . 3.210 2.153 2.104 2.215 . 0 0 "[ . 1 . 2]" 1
1454 1 139 PHE HB2 1 140 ARG H . . 4.130 3.937 3.834 4.050 . 0 0 "[ . 1 . 2]" 1
1455 1 139 PHE HB3 1 140 ARG H . . 4.900 2.838 2.628 3.044 . 0 0 "[ . 1 . 2]" 1
1456 1 140 ARG H 1 140 ARG HB2 . . 4.100 2.900 2.598 3.738 . 0 0 "[ . 1 . 2]" 1
1457 1 140 ARG H 1 140 ARG QB . . 3.530 2.355 2.215 2.926 . 0 0 "[ . 1 . 2]" 1
1458 1 140 ARG H 1 140 ARG HB3 . . 4.100 2.621 2.293 3.752 . 0 0 "[ . 1 . 2]" 1
1459 1 140 ARG H 1 140 ARG QD . . 5.130 4.698 4.231 4.956 . 0 0 "[ . 1 . 2]" 1
1460 1 140 ARG H 1 140 ARG QG . . 4.100 3.610 2.168 3.982 . 0 0 "[ . 1 . 2]" 1
1461 1 140 ARG HA 1 141 TRP H . . 3.130 2.135 1.995 2.216 . 0 0 "[ . 1 . 2]" 1
1462 1 140 ARG QD 1 142 TYR QE . . 4.470 2.675 2.175 3.533 . 0 0 "[ . 1 . 2]" 1
1463 1 140 ARG HE 1 142 TYR QE . . 4.770 3.681 2.221 4.888 0.118 2 0 "[ . 1 . 2]" 1
1464 1 140 ARG QG 1 141 TRP H . . 3.970 3.247 2.812 4.055 0.085 12 0 "[ . 1 . 2]" 1
1465 1 140 ARG QG 1 142 TYR QD . . 5.250 3.764 3.116 5.313 0.063 12 0 "[ . 1 . 2]" 1
1466 1 141 TRP H 1 141 TRP HB2 . . 3.970 2.770 2.639 2.861 . 0 0 "[ . 1 . 2]" 1
1467 1 141 TRP H 1 141 TRP HB3 . . 4.020 2.630 2.557 2.731 . 0 0 "[ . 1 . 2]" 1
1468 1 141 TRP HA 1 141 TRP HD1 . . 3.970 3.458 3.316 3.666 . 0 0 "[ . 1 . 2]" 1
1469 1 141 TRP HA 1 142 TYR H . . 3.120 2.178 2.116 2.232 . 0 0 "[ . 1 . 2]" 1
1470 1 141 TRP HA 1 142 TYR QD . . 5.180 4.146 3.694 4.572 . 0 0 "[ . 1 . 2]" 1
1471 1 141 TRP HB3 1 142 TYR H . . 5.130 4.161 3.987 4.283 . 0 0 "[ . 1 . 2]" 1
1472 1 141 TRP HD1 1 142 TYR H . . 4.200 3.145 2.841 3.614 . 0 0 "[ . 1 . 2]" 1
1473 1 141 TRP HD1 1 142 TYR HA . . 4.590 3.699 3.505 3.884 . 0 0 "[ . 1 . 2]" 1
1474 1 141 TRP HD1 1 143 THR H . . 5.090 3.213 2.956 3.322 . 0 0 "[ . 1 . 2]" 1
1475 1 141 TRP HD1 1 143 THR HA . . 4.590 3.629 3.464 3.911 . 0 0 "[ . 1 . 2]" 1
1476 1 141 TRP HD1 1 143 THR HB . . 3.450 2.013 1.877 2.183 . 0 0 "[ . 1 . 2]" 1
1477 1 141 TRP HE1 1 143 THR HA . . 4.940 4.013 3.740 4.311 . 0 0 "[ . 1 . 2]" 1
1478 1 141 TRP HE1 1 143 THR HB . . 3.760 2.149 1.987 2.368 . 0 0 "[ . 1 . 2]" 1
1479 1 142 TYR H 1 142 TYR HB2 . . 3.540 2.477 2.407 2.714 . 0 0 "[ . 1 . 2]" 1
1480 1 142 TYR H 1 142 TYR QD . . 4.090 2.808 2.489 3.062 . 0 0 "[ . 1 . 2]" 1
1481 1 142 TYR HA 1 142 TYR QD . . 4.260 2.789 2.498 3.099 . 0 0 "[ . 1 . 2]" 1
1482 1 142 TYR HA 1 142 TYR QE . . 5.230 4.611 4.487 4.772 . 0 0 "[ . 1 . 2]" 1
1483 1 142 TYR HA 1 143 THR H . . 3.340 2.186 2.099 2.275 . 0 0 "[ . 1 . 2]" 1
1484 1 142 TYR HB3 1 143 THR H . . 4.510 3.715 3.566 3.872 . 0 0 "[ . 1 . 2]" 1
1485 1 143 THR HA 1 144 SER H . . 3.440 2.167 2.127 2.231 . 0 0 "[ . 1 . 2]" 1
1486 1 143 THR HA 1 145 TYR H . . 4.470 3.756 3.660 3.900 . 0 0 "[ . 1 . 2]" 1
1487 1 143 THR HA 1 146 ALA H . . 5.500 4.736 4.567 4.874 . 0 0 "[ . 1 . 2]" 1
1488 1 143 THR HB 1 144 SER H . . 4.720 3.985 3.935 4.025 . 0 0 "[ . 1 . 2]" 1
1489 1 143 THR HB 1 145 TYR H . . 4.970 4.124 3.999 4.248 . 0 0 "[ . 1 . 2]" 1
1490 1 143 THR HB 1 146 ALA H . . 5.500 4.756 4.643 4.857 . 0 0 "[ . 1 . 2]" 1
1491 1 144 SER H 1 144 SER HB2 . . 4.210 2.671 2.345 3.581 . 0 0 "[ . 1 . 2]" 1
1492 1 144 SER H 1 144 SER HB3 . . 4.210 3.020 2.409 3.544 . 0 0 "[ . 1 . 2]" 1
1493 1 144 SER H 1 145 TYR H . . 3.540 2.554 2.497 2.638 . 0 0 "[ . 1 . 2]" 1
1494 1 144 SER H 1 145 TYR HA . . 5.370 5.089 5.027 5.169 . 0 0 "[ . 1 . 2]" 1
1495 1 144 SER H 1 145 TYR QD . . 5.320 3.448 3.131 3.825 . 0 0 "[ . 1 . 2]" 1
1496 1 144 SER H 1 146 ALA H . . 5.340 4.207 4.082 4.335 . 0 0 "[ . 1 . 2]" 1
1497 1 144 SER QB 1 145 TYR H . . 4.270 3.109 2.878 3.657 . 0 0 "[ . 1 . 2]" 1
1498 1 144 SER QB 1 145 TYR QE . . 5.330 4.268 3.641 5.238 . 0 0 "[ . 1 . 2]" 1
1499 1 144 SER HB2 1 145 TYR H . . 4.940 3.564 2.964 4.226 . 0 0 "[ . 1 . 2]" 1
1500 1 144 SER HB3 1 145 TYR H . . 4.940 3.799 2.948 4.268 . 0 0 "[ . 1 . 2]" 1
1501 1 145 TYR H 1 145 TYR HB2 . . 3.900 2.446 2.398 2.553 . 0 0 "[ . 1 . 2]" 1
1502 1 145 TYR H 1 145 TYR HB3 . . 3.490 3.551 3.539 3.561 0.071 10 0 "[ . 1 . 2]" 1
1503 1 145 TYR H 1 145 TYR QD . . 3.660 2.233 2.004 2.576 . 0 0 "[ . 1 . 2]" 1
1504 1 145 TYR H 1 145 TYR QE . . 5.400 4.274 4.148 4.461 . 0 0 "[ . 1 . 2]" 1
1505 1 145 TYR H 1 146 ALA H . . 3.580 2.590 2.517 2.679 . 0 0 "[ . 1 . 2]" 1
1506 1 145 TYR H 1 146 ALA MB . . 5.440 4.268 4.211 4.320 . 0 0 "[ . 1 . 2]" 1
1507 1 145 TYR H 1 147 CYS H . . 4.960 4.159 4.022 4.519 . 0 0 "[ . 1 . 2]" 1
1508 1 145 TYR HA 1 145 TYR QD . . 3.960 2.939 2.701 3.101 . 0 0 "[ . 1 . 2]" 1
1509 1 145 TYR HA 1 145 TYR QE . . 4.950 4.621 4.511 4.699 . 0 0 "[ . 1 . 2]" 1
1510 1 145 TYR HA 1 146 ALA HA . . 4.620 4.595 4.505 4.630 0.010 7 0 "[ . 1 . 2]" 1
1511 1 145 TYR HA 1 147 CYS H . . 4.390 3.409 3.256 3.657 . 0 0 "[ . 1 . 2]" 1
1512 1 145 TYR HB2 1 146 ALA H . . 4.880 3.335 3.050 3.444 . 0 0 "[ . 1 . 2]" 1
1513 1 145 TYR HB3 1 146 ALA H . . 4.680 4.092 3.870 4.168 . 0 0 "[ . 1 . 2]" 1
1514 1 145 TYR QD 1 146 ALA H . . 5.390 4.445 4.293 4.630 . 0 0 "[ . 1 . 2]" 1
1515 1 146 ALA H 1 146 ALA MB . . 3.670 2.323 2.281 2.364 . 0 0 "[ . 1 . 2]" 1
1516 1 146 ALA H 1 147 CYS H . . 3.270 2.415 2.302 2.631 . 0 0 "[ . 1 . 2]" 1
1517 1 146 ALA MB 1 147 CYS H . . 5.010 3.364 3.227 3.497 . 0 0 "[ . 1 . 2]" 1
1518 1 147 CYS H 1 147 CYS HB2 . . 3.920 2.658 2.398 2.928 . 0 0 "[ . 1 . 2]" 1
1519 1 147 CYS H 1 147 CYS QB . . 3.310 2.437 2.363 2.490 . 0 0 "[ . 1 . 2]" 1
1520 1 147 CYS H 1 147 CYS HB3 . . 3.920 3.183 2.565 3.688 . 0 0 "[ . 1 . 2]" 1
1521 1 147 CYS H 1 148 PRO QD . . 4.940 4.246 4.114 4.386 . 0 0 "[ . 1 . 2]" 1
1522 1 147 CYS HA 1 148 PRO QD . . 3.490 1.944 1.836 2.047 . 0 0 "[ . 1 . 2]" 1
1523 1 147 CYS QB 1 148 PRO QD . . 4.930 3.148 2.579 3.604 . 0 0 "[ . 1 . 2]" 1
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