NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406984 |
1xyq   |
6380 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xyq
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 1724
_Distance_constraint_stats_list.Viol_count 4721
_Distance_constraint_stats_list.Viol_total 7536.601
_Distance_constraint_stats_list.Viol_max 0.998
_Distance_constraint_stats_list.Viol_rms 0.0410
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0109
_Distance_constraint_stats_list.Viol_average_violations_only 0.0798
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 3.392 0.667 15 4 "[ . * - * + 2]"
1 2 VAL 1.491 0.104 19 0 "[ . 1 . 2]"
1 3 GLY 0.909 0.104 19 0 "[ . 1 . 2]"
1 4 GLY 0.277 0.077 13 0 "[ . 1 . 2]"
1 5 LEU 1.099 0.104 12 0 "[ . 1 . 2]"
1 6 GLY 1.952 0.088 16 0 "[ . 1 . 2]"
1 7 GLY 2.777 0.189 6 0 "[ . 1 . 2]"
1 8 TYR 14.112 0.189 6 0 "[ . 1 . 2]"
1 9 MET 6.579 0.499 5 0 "[ . 1 . 2]"
1 10 LEU 9.100 0.676 18 1 "[ . 1 . + 2]"
1 11 GLY 4.090 0.215 2 0 "[ . 1 . 2]"
1 12 SER 5.973 0.349 3 0 "[ . 1 . 2]"
1 13 ALA 8.367 0.140 3 0 "[ . 1 . 2]"
1 14 MET 9.758 0.140 3 0 "[ . 1 . 2]"
1 15 SER 3.738 0.121 15 0 "[ . 1 . 2]"
1 16 ARG 11.511 0.721 5 4 "[* + 1 * -. 2]"
1 17 PRO 5.266 0.106 19 0 "[ . 1 . 2]"
1 18 LEU 5.329 0.113 13 0 "[ . 1 . 2]"
1 19 ILE 9.643 0.148 7 0 "[ . 1 . 2]"
1 20 HIS 2.947 0.092 18 0 "[ . 1 . 2]"
1 21 PHE 15.161 0.636 11 2 "[ . 1+ . -2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 4.690 0.668 11 1 "[ . 1+ . 2]"
1 24 ASP 2.833 0.631 18 1 "[ . 1 . + 2]"
1 25 TYR 6.741 0.561 8 1 "[ . + 1 . 2]"
1 26 GLU 7.600 0.668 11 1 "[ . 1+ . 2]"
1 27 ASP 3.751 0.631 18 1 "[ . 1 . + 2]"
1 28 ARG 2.857 0.228 18 0 "[ . 1 . 2]"
1 29 TYR 6.693 0.561 8 1 "[ . + 1 . 2]"
1 30 TYR 14.666 0.119 6 0 "[ . 1 . 2]"
1 31 ARG 11.460 0.110 20 0 "[ . 1 . 2]"
1 32 GLU 6.878 0.479 15 0 "[ . 1 . 2]"
1 33 ASN 7.977 0.479 15 0 "[ . 1 . 2]"
1 34 MET 17.384 0.932 12 3 "[- . 1 + *. 2]"
1 35 TYR 5.344 0.542 12 3 "[- . 1 + *. 2]"
1 36 ARG 5.384 0.088 4 0 "[ . 1 . 2]"
1 37 TYR 7.333 0.136 14 0 "[ . 1 . 2]"
1 38 PRO 2.518 0.113 1 0 "[ . 1 . 2]"
1 39 ASN 3.707 0.343 3 0 "[ . 1 . 2]"
1 40 GLN 14.630 0.349 3 0 "[ . 1 . 2]"
1 41 VAL 4.831 0.319 6 0 "[ . 1 . 2]"
1 42 TYR 4.810 0.676 18 1 "[ . 1 . + 2]"
1 43 TYR 10.326 0.653 6 2 "[ .+ - . 2]"
1 44 ARG 11.136 0.104 12 0 "[ . 1 . 2]"
1 45 PRO 1.604 0.540 1 1 "[+ . 1 . 2]"
1 46 VAL 0.746 0.105 16 0 "[ . 1 . 2]"
1 47 ASP 3.903 0.540 1 1 "[+ . 1 . 2]"
1 48 GLN 5.575 0.108 16 0 "[ . 1 . 2]"
1 49 TYR 6.461 0.108 16 0 "[ . 1 . 2]"
1 50 SER 1.596 0.086 16 0 "[ . 1 . 2]"
1 51 ASN 1.465 0.438 8 0 "[ . 1 . 2]"
1 52 GLN 1.702 0.152 7 0 "[ . 1 . 2]"
1 53 ASN 6.543 0.438 8 0 "[ . 1 . 2]"
1 54 SER 0.356 0.079 2 0 "[ . 1 . 2]"
1 55 PHE 2.430 0.096 4 0 "[ . 1 . 2]"
1 56 VAL 6.524 0.133 19 0 "[ . 1 . 2]"
1 57 HIS 2.616 0.091 3 0 "[ . 1 . 2]"
1 58 ASP 2.108 0.102 18 0 "[ . 1 . 2]"
1 59 CYS 3.212 0.091 3 0 "[ . 1 . 2]"
1 60 VAL 6.171 0.534 4 4 "[ *+. - . *]"
1 61 ASN 6.279 0.381 3 0 "[ . 1 . 2]"
1 62 ILE 4.781 0.115 9 0 "[ . 1 . 2]"
1 63 THR 3.644 0.090 6 0 "[ . 1 . 2]"
1 64 VAL 3.177 0.085 15 0 "[ . 1 . 2]"
1 65 LYS 7.988 0.411 8 0 "[ . 1 . 2]"
1 66 GLN 13.753 0.644 4 3 "[ - +. * 1 . 2]"
1 67 HIS 3.195 0.205 6 0 "[ . 1 . 2]"
1 68 THR 5.639 0.165 10 0 "[ . 1 . 2]"
1 69 VAL 6.666 0.113 12 0 "[ . 1 . 2]"
1 70 THR 3.846 0.113 12 0 "[ . 1 . 2]"
1 71 THR 5.453 0.130 11 0 "[ . 1 . 2]"
1 72 THR 5.083 0.113 15 0 "[ . 1 . 2]"
1 73 THR 2.854 0.113 15 0 "[ . 1 . 2]"
1 74 LYS 8.083 0.107 9 0 "[ . 1 . 2]"
1 75 GLY 4.653 0.096 3 0 "[ . 1 . 2]"
1 76 GLU 8.547 0.130 11 0 "[ . 1 . 2]"
1 77 ASN 6.297 0.108 11 0 "[ . 1 . 2]"
1 78 PHE 4.221 0.490 7 0 "[ . 1 . 2]"
1 79 THR 2.615 0.117 4 0 "[ . 1 . 2]"
1 80 GLU 4.674 0.133 4 0 "[ . 1 . 2]"
1 81 THR 3.975 0.130 10 0 "[ . 1 . 2]"
1 82 ASP 1.483 0.490 7 0 "[ . 1 . 2]"
1 83 VAL 3.997 0.090 12 0 "[ . 1 . 2]"
1 84 LYS 4.583 0.112 2 0 "[ . 1 . 2]"
1 85 MET 11.480 0.130 10 0 "[ . 1 . 2]"
1 86 ILE 3.499 0.949 14 1 "[ . 1 +. 2]"
1 87 GLU 4.707 0.949 14 1 "[ . 1 +. 2]"
1 88 ARG 29.328 0.998 19 9 "[ * **- 1* * **+2]"
1 89 VAL 9.000 0.118 11 0 "[ . 1 . 2]"
1 90 VAL 5.330 0.100 4 0 "[ . 1 . 2]"
1 91 GLU 8.234 0.906 20 2 "[ - . 1 . +]"
1 92 GLN 6.394 0.098 20 0 "[ . 1 . 2]"
1 93 MET 6.813 0.738 10 5 "[ *-. + . **]"
1 94 CYS 11.057 0.906 20 5 "[ **. - . *+]"
1 95 ILE 8.832 0.129 19 0 "[ . 1 . 2]"
1 96 THR 7.181 0.916 4 1 "[ +. 1 . 2]"
1 97 GLN 7.970 0.916 4 3 "[ +.* - . 2]"
1 98 TYR 3.685 0.107 5 0 "[ . 1 . 2]"
1 99 GLN 7.413 0.097 20 0 "[ . 1 . 2]"
1 100 LYS 3.056 0.095 7 0 "[ . 1 . 2]"
1 101 GLU 5.183 0.149 3 0 "[ . 1 . 2]"
1 102 TYR 8.675 0.100 15 0 "[ . 1 . 2]"
1 103 GLU 4.456 0.121 19 0 "[ . 1 . 2]"
1 104 ALA 4.254 0.121 19 0 "[ . 1 . 2]"
1 105 TYR 8.474 0.113 14 0 "[ . 1 . 2]"
1 106 ALA 3.213 0.102 13 0 "[ . 1 . 2]"
1 107 GLN 2.903 0.106 6 0 "[ . 1 . 2]"
1 108 ARG 1.180 0.105 15 0 "[ . 1 . 2]"
1 109 GLY 2.502 0.125 1 0 "[ . 1 . 2]"
1 110 ALA 1.851 0.125 1 0 "[ . 1 . 2]"
1 111 SER 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 1 VAL H1 1 1 VAL HB . . 3.600 3.416 2.613 3.679 0.079 7 0 "[ . 1 . 2]" 1
2 1 1 VAL H1 1 1 VAL MG1 . . 3.330 2.904 2.194 3.997 0.667 15 4 "[ . * - * + 2]" 1
3 1 1 VAL H1 1 1 VAL MG2 . . 3.920 2.463 1.895 4.010 0.090 1 0 "[ . 1 . 2]" 1
4 1 1 VAL HA 1 1 VAL HB . . 2.990 2.600 2.383 3.047 0.057 15 0 "[ . 1 . 2]" 1
5 1 1 VAL HA 1 2 VAL H . . 2.910 2.391 2.116 2.849 . 0 0 "[ . 1 . 2]" 1
6 1 1 VAL HB 1 2 VAL H . . 3.990 3.351 2.061 4.076 0.086 8 0 "[ . 1 . 2]" 1
7 1 1 VAL MG1 1 2 VAL H . . 4.410 3.538 1.947 4.287 . 0 0 "[ . 1 . 2]" 1
8 1 2 VAL H 1 2 VAL HB . . 3.120 2.964 2.320 3.206 0.086 19 0 "[ . 1 . 2]" 1
9 1 2 VAL H 1 3 GLY H . . 5.500 4.374 3.709 4.749 . 0 0 "[ . 1 . 2]" 1
10 1 2 VAL HA 1 2 VAL QG . . 2.900 2.228 2.068 2.316 . 0 0 "[ . 1 . 2]" 1
11 1 2 VAL HA 1 3 GLY H . . 3.110 2.681 2.406 3.183 0.073 3 0 "[ . 1 . 2]" 1
12 1 2 VAL HA 1 3 GLY QA . . 4.110 4.068 3.761 4.214 0.104 19 0 "[ . 1 . 2]" 1
13 1 2 VAL HA 1 5 LEU QD . . 5.010 3.545 2.269 4.581 . 0 0 "[ . 1 . 2]" 1
14 1 2 VAL HB 1 3 GLY H . . 3.990 3.737 1.531 4.069 0.079 1 0 "[ . 1 . 2]" 1
15 1 2 VAL QG 1 3 GLY H . . 3.000 1.863 1.645 2.289 . 0 0 "[ . 1 . 2]" 1
16 1 2 VAL QG 1 3 GLY QA . . 3.770 3.116 2.825 3.530 . 0 0 "[ . 1 . 2]" 1
17 1 2 VAL QG 1 4 GLY H . . 4.140 3.497 2.186 4.166 0.026 16 0 "[ . 1 . 2]" 1
18 1 2 VAL QG 1 5 LEU QB . . 5.500 3.784 2.380 4.464 . 0 0 "[ . 1 . 2]" 1
19 1 3 GLY H 1 4 GLY H . . 3.610 2.910 2.196 3.677 0.067 9 0 "[ . 1 . 2]" 1
20 1 4 GLY H 1 4 GLY QA . . 2.560 2.384 2.167 2.534 . 0 0 "[ . 1 . 2]" 1
21 1 4 GLY QA 1 5 LEU H . . 2.910 2.599 2.170 2.987 0.077 13 0 "[ . 1 . 2]" 1
22 1 4 GLY QA 1 5 LEU HA . . 5.170 4.164 4.058 4.254 . 0 0 "[ . 1 . 2]" 1
23 1 5 LEU H 1 5 LEU QB . . 3.460 2.388 2.145 2.530 . 0 0 "[ . 1 . 2]" 1
24 1 5 LEU H 1 5 LEU QD . . 4.510 2.203 1.828 3.233 . 0 0 "[ . 1 . 2]" 1
25 1 5 LEU H 1 5 LEU HG . . 4.070 3.934 2.596 4.143 0.073 13 0 "[ . 1 . 2]" 1
26 1 5 LEU H 1 6 GLY H . . 3.290 2.827 2.390 3.363 0.073 12 0 "[ . 1 . 2]" 1
27 1 5 LEU HA 1 5 LEU QD . . 3.260 2.085 1.990 2.375 . 0 0 "[ . 1 . 2]" 1
28 1 5 LEU HA 1 5 LEU HG . . 4.200 3.633 2.617 3.790 . 0 0 "[ . 1 . 2]" 1
29 1 5 LEU HA 1 8 TYR QD . . 4.700 4.470 3.466 4.776 0.076 7 0 "[ . 1 . 2]" 1
30 1 5 LEU HA 1 8 TYR QE . . 5.480 4.460 2.667 5.028 . 0 0 "[ . 1 . 2]" 1
31 1 5 LEU QB 1 5 LEU HG . . 2.400 2.148 2.102 2.365 . 0 0 "[ . 1 . 2]" 1
32 1 5 LEU QB 1 6 GLY H . . 3.930 2.383 1.965 2.978 . 0 0 "[ . 1 . 2]" 1
33 1 5 LEU QB 1 8 TYR H . . 4.490 3.109 2.737 3.353 . 0 0 "[ . 1 . 2]" 1
34 1 5 LEU QB 1 8 TYR HB2 . . 2.810 2.697 2.468 2.844 0.034 10 0 "[ . 1 . 2]" 1
35 1 5 LEU QD 1 6 GLY H . . 4.160 3.758 3.439 3.893 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU QD 1 8 TYR QD . . 4.980 3.619 2.728 4.047 . 0 0 "[ . 1 . 2]" 1
37 1 5 LEU QD 1 8 TYR QE . . 4.770 3.741 2.923 4.329 . 0 0 "[ . 1 . 2]" 1
38 1 5 LEU QD 1 62 ILE MD . . 2.670 2.267 1.924 2.752 0.082 14 0 "[ . 1 . 2]" 1
39 1 5 LEU QD 1 62 ILE MG . . 3.950 2.989 2.032 3.574 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU HG 1 8 TYR QE . . 4.830 4.489 3.500 4.934 0.104 12 0 "[ . 1 . 2]" 1
41 1 6 GLY H 1 7 GLY H . . 3.200 2.858 1.803 3.288 0.088 16 0 "[ . 1 . 2]" 1
42 1 6 GLY H 1 8 TYR H . . 4.370 3.060 2.717 3.660 . 0 0 "[ . 1 . 2]" 1
43 1 6 GLY H 1 8 TYR QD . . 3.760 3.058 2.747 3.601 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLY H 1 8 TYR QE . . 4.490 4.475 4.183 4.576 0.086 3 0 "[ . 1 . 2]" 1
45 1 6 GLY HA2 1 7 GLY H . . 3.640 3.476 3.262 3.592 . 0 0 "[ . 1 . 2]" 1
46 1 6 GLY HA3 1 7 GLY H . . 3.360 2.599 2.139 3.425 0.065 4 0 "[ . 1 . 2]" 1
47 1 7 GLY H 1 8 TYR H . . 3.400 2.296 1.617 2.728 . 0 0 "[ . 1 . 2]" 1
48 1 7 GLY H 1 8 TYR HA . . 4.470 4.322 4.060 4.547 0.077 16 0 "[ . 1 . 2]" 1
49 1 7 GLY H 1 8 TYR QD . . 4.790 2.641 2.101 3.134 . 0 0 "[ . 1 . 2]" 1
50 1 7 GLY H 1 8 TYR QE . . 5.430 3.984 3.283 5.049 . 0 0 "[ . 1 . 2]" 1
51 1 7 GLY HA3 1 8 TYR H . . 3.460 3.538 3.474 3.649 0.189 6 0 "[ . 1 . 2]" 1
52 1 7 GLY HA3 1 8 TYR QD . . 5.420 4.607 4.164 5.103 . 0 0 "[ . 1 . 2]" 1
53 1 8 TYR H 1 8 TYR HB2 . . 3.150 2.355 2.241 2.470 . 0 0 "[ . 1 . 2]" 1
54 1 8 TYR H 1 8 TYR HB3 . . 4.080 3.583 3.522 3.661 . 0 0 "[ . 1 . 2]" 1
55 1 8 TYR H 1 8 TYR QD . . 3.000 2.094 2.032 2.155 . 0 0 "[ . 1 . 2]" 1
56 1 8 TYR H 1 8 TYR QE . . 4.280 4.351 4.222 4.378 0.098 6 0 "[ . 1 . 2]" 1
57 1 8 TYR HA 1 8 TYR QD . . 3.470 3.154 3.074 3.256 . 0 0 "[ . 1 . 2]" 1
58 1 8 TYR HA 1 9 MET H . . 3.050 2.328 2.152 2.435 . 0 0 "[ . 1 . 2]" 1
59 1 8 TYR HA 1 9 MET QG . . 5.030 4.102 3.731 4.683 . 0 0 "[ . 1 . 2]" 1
60 1 8 TYR HA 1 43 TYR H . . 4.200 3.791 3.592 4.157 . 0 0 "[ . 1 . 2]" 1
61 1 8 TYR HA 1 44 ARG HA . . 2.400 2.459 2.290 2.483 0.083 20 0 "[ . 1 . 2]" 1
62 1 8 TYR HA 1 44 ARG QD . . 5.500 4.799 4.534 5.049 . 0 0 "[ . 1 . 2]" 1
63 1 8 TYR HA 1 44 ARG HG2 . . 3.940 3.951 3.791 4.015 0.075 3 0 "[ . 1 . 2]" 1
64 1 8 TYR HB2 1 9 MET H . . 3.930 3.917 3.764 4.007 0.077 8 0 "[ . 1 . 2]" 1
65 1 8 TYR HB2 1 43 TYR H . . 5.500 5.096 4.726 5.537 0.037 18 0 "[ . 1 . 2]" 1
66 1 8 TYR HB3 1 9 MET H . . 3.530 2.675 2.442 2.879 . 0 0 "[ . 1 . 2]" 1
67 1 8 TYR HB3 1 43 TYR H . . 4.760 3.395 2.981 3.907 . 0 0 "[ . 1 . 2]" 1
68 1 8 TYR HB3 1 62 ILE MG . . 4.210 4.061 3.616 4.293 0.083 17 0 "[ . 1 . 2]" 1
69 1 8 TYR QD 1 9 MET H . . 4.280 3.843 3.423 4.124 . 0 0 "[ . 1 . 2]" 1
70 1 8 TYR QD 1 42 TYR H . . 5.200 5.202 4.973 5.291 0.091 9 0 "[ . 1 . 2]" 1
71 1 8 TYR QD 1 42 TYR HB2 . . 3.440 3.183 2.852 3.493 0.053 6 0 "[ . 1 . 2]" 1
72 1 8 TYR QD 1 43 TYR H . . 4.840 3.057 2.558 3.649 . 0 0 "[ . 1 . 2]" 1
73 1 8 TYR QD 1 43 TYR HA . . 4.340 3.462 3.111 3.744 . 0 0 "[ . 1 . 2]" 1
74 1 8 TYR QD 1 44 ARG H . . 5.180 4.477 4.310 4.739 . 0 0 "[ . 1 . 2]" 1
75 1 8 TYR QD 1 44 ARG HG3 . . 4.400 3.050 2.891 3.339 . 0 0 "[ . 1 . 2]" 1
76 1 8 TYR QD 1 62 ILE MD . . 4.690 4.689 4.371 4.803 0.113 20 0 "[ . 1 . 2]" 1
77 1 8 TYR QD 1 62 ILE HG13 . . 3.970 4.011 3.564 4.058 0.088 14 0 "[ . 1 . 2]" 1
78 1 8 TYR QD 1 62 ILE MG . . 4.260 2.967 2.538 3.385 . 0 0 "[ . 1 . 2]" 1
79 1 8 TYR QE 1 43 TYR HA . . 4.550 3.724 3.315 4.404 . 0 0 "[ . 1 . 2]" 1
80 1 8 TYR QE 1 44 ARG H . . 4.450 4.538 4.531 4.546 0.096 1 0 "[ . 1 . 2]" 1
81 1 8 TYR QE 1 44 ARG HB3 . . 4.280 4.348 4.128 4.384 0.104 12 0 "[ . 1 . 2]" 1
82 1 8 TYR QE 1 44 ARG QD . . 4.430 3.081 2.570 3.939 . 0 0 "[ . 1 . 2]" 1
83 1 8 TYR QE 1 44 ARG HG2 . . 4.700 2.754 2.478 2.982 . 0 0 "[ . 1 . 2]" 1
84 1 8 TYR QE 1 44 ARG HG3 . . 3.800 3.014 2.837 3.131 . 0 0 "[ . 1 . 2]" 1
85 1 8 TYR QE 1 62 ILE MD . . 4.370 4.029 3.789 4.281 . 0 0 "[ . 1 . 2]" 1
86 1 8 TYR QE 1 62 ILE HG13 . . 3.680 2.714 2.457 2.958 . 0 0 "[ . 1 . 2]" 1
87 1 8 TYR QE 1 62 ILE MG . . 4.780 3.171 2.791 3.753 . 0 0 "[ . 1 . 2]" 1
88 1 9 MET H 1 9 MET HB2 . . 3.630 3.189 2.489 4.007 0.377 10 0 "[ . 1 . 2]" 1
89 1 9 MET H 1 9 MET HB3 . . 4.150 3.610 3.237 3.893 . 0 0 "[ . 1 . 2]" 1
90 1 9 MET H 1 9 MET ME . . 5.310 4.312 2.909 5.392 0.082 2 0 "[ . 1 . 2]" 1
91 1 9 MET H 1 9 MET QG . . 3.520 2.992 2.301 3.485 . 0 0 "[ . 1 . 2]" 1
92 1 9 MET H 1 43 TYR H . . 4.630 2.484 2.289 2.620 . 0 0 "[ . 1 . 2]" 1
93 1 9 MET HA 1 9 MET ME . . 4.560 4.201 3.587 4.544 . 0 0 "[ . 1 . 2]" 1
94 1 9 MET HA 1 9 MET QG . . 3.420 2.720 2.209 3.494 0.074 13 0 "[ . 1 . 2]" 1
95 1 9 MET HA 1 10 LEU H . . 2.830 2.460 2.140 2.739 . 0 0 "[ . 1 . 2]" 1
96 1 9 MET HA 1 10 LEU HB2 . . 4.620 4.325 4.007 4.465 . 0 0 "[ . 1 . 2]" 1
97 1 9 MET HB2 1 9 MET ME . . 3.940 2.878 2.233 3.663 . 0 0 "[ . 1 . 2]" 1
98 1 9 MET HB2 1 10 LEU H . . 4.370 3.179 2.160 4.004 . 0 0 "[ . 1 . 2]" 1
99 1 9 MET HB3 1 9 MET ME . . 4.180 2.704 2.140 3.539 . 0 0 "[ . 1 . 2]" 1
100 1 9 MET HB3 1 10 LEU H . . 3.430 2.961 2.054 3.929 0.499 5 0 "[ . 1 . 2]" 1
101 1 9 MET ME 1 9 MET QG . . 3.320 2.371 2.240 2.644 . 0 0 "[ . 1 . 2]" 1
102 1 9 MET ME 1 10 LEU H . . 5.500 4.650 3.310 5.520 0.020 20 0 "[ . 1 . 2]" 1
103 1 9 MET QG 1 10 LEU H . . 3.640 3.486 2.836 3.722 0.082 2 0 "[ . 1 . 2]" 1
104 1 10 LEU H 1 10 LEU HB2 . . 3.250 2.880 2.555 3.289 0.039 17 0 "[ . 1 . 2]" 1
105 1 10 LEU H 1 10 LEU HB3 . . 3.290 2.567 2.461 2.751 . 0 0 "[ . 1 . 2]" 1
106 1 10 LEU H 1 10 LEU MD1 . . 4.930 4.296 3.969 4.473 . 0 0 "[ . 1 . 2]" 1
107 1 10 LEU H 1 10 LEU MD2 . . 4.540 4.389 4.234 4.550 0.010 17 0 "[ . 1 . 2]" 1
108 1 10 LEU H 1 10 LEU HG . . 5.500 4.475 4.329 4.682 . 0 0 "[ . 1 . 2]" 1
109 1 10 LEU HA 1 10 LEU MD1 . . 3.000 2.176 2.056 2.951 . 0 0 "[ . 1 . 2]" 1
110 1 10 LEU HA 1 10 LEU MD2 . . 4.050 3.764 2.125 3.914 . 0 0 "[ . 1 . 2]" 1
111 1 10 LEU HA 1 10 LEU HG . . 3.850 3.026 2.847 3.726 . 0 0 "[ . 1 . 2]" 1
112 1 10 LEU HA 1 11 GLY H . . 2.890 2.172 2.082 2.351 . 0 0 "[ . 1 . 2]" 1
113 1 10 LEU HA 1 40 GLN HB2 . . 5.500 5.270 4.932 5.465 . 0 0 "[ . 1 . 2]" 1
114 1 10 LEU HA 1 40 GLN HB3 . . 4.000 4.077 3.998 4.097 0.097 18 0 "[ . 1 . 2]" 1
115 1 10 LEU HA 1 41 VAL H . . 4.700 4.194 3.903 4.429 . 0 0 "[ . 1 . 2]" 1
116 1 10 LEU HA 1 42 TYR HA . . 3.280 2.684 2.363 3.119 . 0 0 "[ . 1 . 2]" 1
117 1 10 LEU HA 1 43 TYR QD . . 5.500 3.789 3.393 4.565 . 0 0 "[ . 1 . 2]" 1
118 1 10 LEU HB2 1 10 LEU MD1 . . 3.470 2.410 2.233 3.188 . 0 0 "[ . 1 . 2]" 1
119 1 10 LEU HB2 1 10 LEU MD2 . . 3.090 2.398 2.292 2.518 . 0 0 "[ . 1 . 2]" 1
120 1 10 LEU HB2 1 11 GLY H . . 4.580 4.372 4.200 4.487 . 0 0 "[ . 1 . 2]" 1
121 1 10 LEU HB2 1 42 TYR QE . . 5.500 3.315 2.408 5.064 . 0 0 "[ . 1 . 2]" 1
122 1 10 LEU HB3 1 10 LEU MD2 . . 3.030 2.348 2.235 3.251 0.221 18 0 "[ . 1 . 2]" 1
123 1 10 LEU HB3 1 11 GLY H . . 4.720 4.166 3.733 4.362 . 0 0 "[ . 1 . 2]" 1
124 1 10 LEU MD1 1 11 GLY H . . 3.590 2.757 2.392 3.394 . 0 0 "[ . 1 . 2]" 1
125 1 10 LEU MD1 1 40 GLN HB2 . . 3.960 2.323 2.117 2.970 . 0 0 "[ . 1 . 2]" 1
126 1 10 LEU MD1 1 40 GLN HB3 . . 3.630 2.244 2.111 2.555 . 0 0 "[ . 1 . 2]" 1
127 1 10 LEU MD1 1 40 GLN HE21 . . 4.950 3.758 1.944 4.274 . 0 0 "[ . 1 . 2]" 1
128 1 10 LEU MD1 1 40 GLN HE22 . . 4.520 4.010 3.134 4.467 . 0 0 "[ . 1 . 2]" 1
129 1 10 LEU MD1 1 40 GLN HG2 . . 4.450 3.883 2.040 4.298 . 0 0 "[ . 1 . 2]" 1
130 1 10 LEU MD1 1 40 GLN HG3 . . 4.320 4.279 3.438 4.408 0.088 20 0 "[ . 1 . 2]" 1
131 1 10 LEU MD1 1 41 VAL H . . 4.550 2.891 2.280 3.781 . 0 0 "[ . 1 . 2]" 1
132 1 10 LEU MD1 1 42 TYR HA . . 4.480 3.227 2.831 4.853 0.373 18 0 "[ . 1 . 2]" 1
133 1 10 LEU MD1 1 42 TYR QD . . 5.030 3.233 2.808 5.166 0.136 18 0 "[ . 1 . 2]" 1
134 1 10 LEU MD1 1 42 TYR QE . . 4.300 2.995 2.556 4.976 0.676 18 1 "[ . 1 . + 2]" 1
135 1 10 LEU MD2 1 11 GLY H . . 4.620 4.484 2.649 4.717 0.097 17 0 "[ . 1 . 2]" 1
136 1 10 LEU MD2 1 40 GLN HB2 . . 3.630 3.343 2.131 3.726 0.096 7 0 "[ . 1 . 2]" 1
137 1 10 LEU MD2 1 40 GLN HB3 . . 4.640 3.575 2.158 4.081 . 0 0 "[ . 1 . 2]" 1
138 1 10 LEU MD2 1 40 GLN HE21 . . 4.350 3.102 2.236 3.782 . 0 0 "[ . 1 . 2]" 1
139 1 10 LEU MD2 1 40 GLN HE22 . . 3.780 2.575 2.245 3.983 0.203 18 0 "[ . 1 . 2]" 1
140 1 10 LEU MD2 1 40 GLN HG3 . . 4.760 4.614 4.236 4.806 0.046 17 0 "[ . 1 . 2]" 1
141 1 10 LEU HG 1 11 GLY H . . 4.520 3.188 2.387 4.605 0.085 18 0 "[ . 1 . 2]" 1
142 1 10 LEU HG 1 40 GLN HB3 . . 4.580 2.746 2.333 4.043 . 0 0 "[ . 1 . 2]" 1
143 1 10 LEU HG 1 40 GLN HE21 . . 3.900 2.927 2.218 3.972 0.072 1 0 "[ . 1 . 2]" 1
144 1 10 LEU HG 1 40 GLN HE22 . . 4.020 3.347 2.906 4.100 0.080 18 0 "[ . 1 . 2]" 1
145 1 10 LEU HG 1 40 GLN HG2 . . 4.250 3.722 3.071 4.235 . 0 0 "[ . 1 . 2]" 1
146 1 11 GLY H 1 12 SER H . . 4.650 4.466 3.561 4.714 0.064 19 0 "[ . 1 . 2]" 1
147 1 11 GLY H 1 41 VAL H . . 4.810 3.151 2.725 3.663 . 0 0 "[ . 1 . 2]" 1
148 1 11 GLY H 1 41 VAL QG . . 4.580 4.124 3.606 4.563 . 0 0 "[ . 1 . 2]" 1
149 1 11 GLY H 1 42 TYR HA . . 4.270 3.955 3.625 4.343 0.073 7 0 "[ . 1 . 2]" 1
150 1 11 GLY H 1 43 TYR QD . . 4.270 3.527 2.915 4.189 . 0 0 "[ . 1 . 2]" 1
151 1 11 GLY H 1 43 TYR QE . . 3.480 3.392 2.743 3.573 0.093 8 0 "[ . 1 . 2]" 1
152 1 11 GLY HA2 1 12 SER H . . 3.250 2.615 2.364 3.306 0.056 15 0 "[ . 1 . 2]" 1
153 1 11 GLY HA2 1 43 TYR QE . . 4.070 2.903 2.350 3.604 . 0 0 "[ . 1 . 2]" 1
154 1 11 GLY HA3 1 12 SER H . . 3.070 2.589 2.098 2.943 . 0 0 "[ . 1 . 2]" 1
155 1 11 GLY HA3 1 12 SER HA . . 4.590 4.646 4.466 4.805 0.215 2 0 "[ . 1 . 2]" 1
156 1 11 GLY HA3 1 43 TYR QE . . 4.250 3.466 2.720 3.950 . 0 0 "[ . 1 . 2]" 1
157 1 12 SER H 1 12 SER QB . . 3.350 2.403 2.142 2.786 . 0 0 "[ . 1 . 2]" 1
158 1 12 SER H 1 13 ALA H . . 4.230 2.889 2.081 3.587 . 0 0 "[ . 1 . 2]" 1
159 1 12 SER H 1 13 ALA MB . . 5.130 5.018 4.308 5.229 0.099 2 0 "[ . 1 . 2]" 1
160 1 12 SER H 1 43 TYR QE . . 5.470 5.156 4.667 5.553 0.083 2 0 "[ . 1 . 2]" 1
161 1 12 SER HA 1 13 ALA HA . . 4.890 4.870 4.724 4.976 0.086 3 0 "[ . 1 . 2]" 1
162 1 12 SER HA 1 13 ALA MB . . 4.160 4.234 4.115 4.269 0.109 6 0 "[ . 1 . 2]" 1
163 1 12 SER HA 1 40 GLN HE21 . . 5.500 3.898 2.844 5.557 0.057 15 0 "[ . 1 . 2]" 1
164 1 12 SER HA 1 40 GLN HG3 . . 5.500 5.471 4.853 5.849 0.349 3 0 "[ . 1 . 2]" 1
165 1 12 SER QB 1 13 ALA H . . 3.550 2.121 1.917 2.255 . 0 0 "[ . 1 . 2]" 1
166 1 12 SER QB 1 13 ALA MB . . 5.500 3.709 3.355 4.069 . 0 0 "[ . 1 . 2]" 1
167 1 12 SER QB 1 14 MET ME . . 5.500 5.127 4.723 5.350 . 0 0 "[ . 1 . 2]" 1
168 1 13 ALA H 1 13 ALA MB . . 3.120 2.954 2.657 3.120 0.000 3 0 "[ . 1 . 2]" 1
169 1 13 ALA H 1 14 MET H . . 5.120 4.247 4.167 4.312 . 0 0 "[ . 1 . 2]" 1
170 1 13 ALA H 1 14 MET QB . . 4.530 4.399 4.218 4.591 0.061 15 0 "[ . 1 . 2]" 1
171 1 13 ALA H 1 14 MET ME . . 4.270 3.948 3.594 4.223 . 0 0 "[ . 1 . 2]" 1
172 1 13 ALA H 1 40 GLN HA . . 5.500 4.940 4.422 5.574 0.074 18 0 "[ . 1 . 2]" 1
173 1 13 ALA H 1 40 GLN HG2 . . 5.500 3.997 3.229 5.335 . 0 0 "[ . 1 . 2]" 1
174 1 13 ALA HA 1 14 MET H . . 2.700 2.478 2.366 2.642 . 0 0 "[ . 1 . 2]" 1
175 1 13 ALA HA 1 14 MET QB . . 5.500 4.403 4.015 4.793 . 0 0 "[ . 1 . 2]" 1
176 1 13 ALA HA 1 14 MET ME . . 5.500 3.558 3.265 4.076 . 0 0 "[ . 1 . 2]" 1
177 1 13 ALA HA 1 39 ASN QD . . 4.930 3.683 2.418 4.586 . 0 0 "[ . 1 . 2]" 1
178 1 13 ALA HA 1 40 GLN HB3 . . 4.250 4.298 4.180 4.338 0.088 1 0 "[ . 1 . 2]" 1
179 1 13 ALA HA 1 40 GLN HE21 . . 5.500 4.612 4.081 5.495 . 0 0 "[ . 1 . 2]" 1
180 1 13 ALA HA 1 40 GLN HG2 . . 3.450 2.552 2.052 3.498 0.048 18 0 "[ . 1 . 2]" 1
181 1 13 ALA HA 1 40 GLN HG3 . . 3.520 2.694 2.322 3.506 . 0 0 "[ . 1 . 2]" 1
182 1 13 ALA MB 1 14 MET H . . 3.560 2.359 2.230 2.499 . 0 0 "[ . 1 . 2]" 1
183 1 13 ALA MB 1 14 MET HA . . 3.800 3.619 2.863 3.885 0.085 18 0 "[ . 1 . 2]" 1
184 1 13 ALA MB 1 14 MET ME . . 4.370 4.449 4.133 4.510 0.140 3 0 "[ . 1 . 2]" 1
185 1 13 ALA MB 1 14 MET HG2 . . 4.430 4.497 4.305 4.539 0.109 15 0 "[ . 1 . 2]" 1
186 1 13 ALA MB 1 39 ASN H . . 4.960 4.941 4.483 5.055 0.095 17 0 "[ . 1 . 2]" 1
187 1 13 ALA MB 1 39 ASN QD . . 3.660 2.089 1.654 2.495 . 0 0 "[ . 1 . 2]" 1
188 1 13 ALA MB 1 40 GLN HB3 . . 5.500 5.202 4.828 5.550 0.050 15 0 "[ . 1 . 2]" 1
189 1 13 ALA MB 1 40 GLN HG2 . . 3.830 3.340 2.937 3.754 . 0 0 "[ . 1 . 2]" 1
190 1 13 ALA MB 1 40 GLN HG3 . . 4.570 3.072 2.519 3.584 . 0 0 "[ . 1 . 2]" 1
191 1 14 MET H 1 14 MET QB . . 3.370 3.228 3.112 3.412 0.042 15 0 "[ . 1 . 2]" 1
192 1 14 MET H 1 14 MET ME . . 5.430 3.398 3.013 3.648 . 0 0 "[ . 1 . 2]" 1
193 1 14 MET H 1 14 MET HG2 . . 3.510 2.464 2.248 2.695 . 0 0 "[ . 1 . 2]" 1
194 1 14 MET H 1 14 MET HG3 . . 3.970 3.739 3.469 4.012 0.042 1 0 "[ . 1 . 2]" 1
195 1 14 MET H 1 15 SER H . . 4.840 4.292 4.176 4.418 . 0 0 "[ . 1 . 2]" 1
196 1 14 MET H 1 39 ASN HA . . 3.400 3.355 3.060 3.489 0.089 13 0 "[ . 1 . 2]" 1
197 1 14 MET H 1 39 ASN QB . . 3.870 2.581 2.189 3.783 . 0 0 "[ . 1 . 2]" 1
198 1 14 MET H 1 40 GLN HA . . 4.120 4.179 4.056 4.204 0.084 6 0 "[ . 1 . 2]" 1
199 1 14 MET HA 1 14 MET HG2 . . 4.150 3.665 3.573 3.740 . 0 0 "[ . 1 . 2]" 1
200 1 14 MET HA 1 14 MET HG3 . . 4.060 3.878 3.829 3.998 . 0 0 "[ . 1 . 2]" 1
201 1 14 MET HA 1 15 SER H . . 2.830 2.672 2.408 2.899 0.069 10 0 "[ . 1 . 2]" 1
202 1 14 MET QB 1 14 MET ME . . 2.430 2.050 1.973 2.150 . 0 0 "[ . 1 . 2]" 1
203 1 14 MET QB 1 15 SER H . . 3.230 1.964 1.871 2.053 . 0 0 "[ . 1 . 2]" 1
204 1 14 MET QB 1 96 THR MG . . 4.040 3.158 2.473 3.747 . 0 0 "[ . 1 . 2]" 1
205 1 14 MET ME 1 14 MET HG2 . . 3.350 2.265 2.186 2.379 . 0 0 "[ . 1 . 2]" 1
206 1 14 MET ME 1 14 MET HG3 . . 3.480 3.316 3.253 3.365 . 0 0 "[ . 1 . 2]" 1
207 1 14 MET ME 1 15 SER H . . 4.680 4.789 4.757 4.801 0.121 15 0 "[ . 1 . 2]" 1
208 1 14 MET ME 1 40 GLN HA . . 5.500 2.929 2.383 3.445 . 0 0 "[ . 1 . 2]" 1
209 1 14 MET ME 1 41 VAL QG . . 3.810 2.604 2.041 3.396 . 0 0 "[ . 1 . 2]" 1
210 1 14 MET ME 1 93 MET HA . . 4.580 3.748 3.476 4.209 . 0 0 "[ . 1 . 2]" 1
211 1 14 MET ME 1 93 MET HG3 . . 5.500 5.118 4.735 5.501 0.001 7 0 "[ . 1 . 2]" 1
212 1 14 MET ME 1 96 THR H . . 5.500 5.190 4.905 5.476 . 0 0 "[ . 1 . 2]" 1
213 1 14 MET ME 1 96 THR HB . . 3.600 3.475 3.036 3.691 0.091 3 0 "[ . 1 . 2]" 1
214 1 14 MET ME 1 96 THR MG . . 3.260 3.271 2.930 3.373 0.113 7 0 "[ . 1 . 2]" 1
215 1 14 MET ME 1 97 GLN H . . 3.840 3.500 3.105 3.829 . 0 0 "[ . 1 . 2]" 1
216 1 14 MET ME 1 97 GLN HA . . 3.910 3.284 2.999 3.992 0.082 4 0 "[ . 1 . 2]" 1
217 1 14 MET ME 1 97 GLN HE22 . . 5.500 4.425 2.501 5.457 . 0 0 "[ . 1 . 2]" 1
218 1 14 MET HG2 1 15 SER H . . 4.820 3.817 3.557 4.135 . 0 0 "[ . 1 . 2]" 1
219 1 14 MET HG2 1 93 MET ME . . 5.200 4.111 3.165 4.558 . 0 0 "[ . 1 . 2]" 1
220 1 14 MET HG3 1 15 SER H . . 4.350 2.811 2.492 3.162 . 0 0 "[ . 1 . 2]" 1
221 1 14 MET HG3 1 93 MET ME . . 5.150 4.547 3.598 5.121 . 0 0 "[ . 1 . 2]" 1
222 1 15 SER H 1 15 SER HB2 . . 3.380 2.950 2.263 3.461 0.081 12 0 "[ . 1 . 2]" 1
223 1 15 SER H 1 15 SER HB3 . . 3.360 3.102 2.534 3.467 0.107 1 0 "[ . 1 . 2]" 1
224 1 15 SER H 1 16 ARG H . . 5.140 4.589 4.474 4.717 . 0 0 "[ . 1 . 2]" 1
225 1 15 SER HA 1 16 ARG H . . 2.950 2.456 2.195 2.712 . 0 0 "[ . 1 . 2]" 1
226 1 15 SER HB2 1 16 ARG H . . 4.050 3.345 2.480 4.166 0.116 13 0 "[ . 1 . 2]" 1
227 1 15 SER HB3 1 16 ARG H . . 4.380 3.330 2.258 3.928 . 0 0 "[ . 1 . 2]" 1
228 1 16 ARG H 1 16 ARG QB . . 3.280 2.443 1.940 2.810 . 0 0 "[ . 1 . 2]" 1
229 1 16 ARG H 1 16 ARG HD2 . . 4.870 3.020 1.796 4.945 0.075 2 0 "[ . 1 . 2]" 1
230 1 16 ARG H 1 16 ARG HD3 . . 5.500 3.431 2.035 4.328 . 0 0 "[ . 1 . 2]" 1
231 1 16 ARG H 1 16 ARG QG . . 3.740 2.995 1.766 3.572 . 0 0 "[ . 1 . 2]" 1
232 1 16 ARG H 1 34 MET ME . . 4.540 4.566 4.245 4.649 0.109 8 0 "[ . 1 . 2]" 1
233 1 16 ARG HA 1 16 ARG HD2 . . 5.080 4.154 3.335 5.134 0.054 3 0 "[ . 1 . 2]" 1
234 1 16 ARG HA 1 16 ARG HD3 . . 4.440 4.263 2.300 5.161 0.721 5 1 "[ + 1 . 2]" 1
235 1 16 ARG HA 1 16 ARG HE . . 4.450 4.021 2.663 4.533 0.083 9 0 "[ . 1 . 2]" 1
236 1 16 ARG HA 1 16 ARG QG . . 3.490 2.712 2.192 3.397 . 0 0 "[ . 1 . 2]" 1
237 1 16 ARG HA 1 17 PRO HD2 . . 3.500 2.381 2.225 2.863 . 0 0 "[ . 1 . 2]" 1
238 1 16 ARG HA 1 17 PRO HD3 . . 3.260 2.348 2.035 2.481 . 0 0 "[ . 1 . 2]" 1
239 1 16 ARG HA 1 34 MET ME . . 4.440 4.094 3.840 4.284 . 0 0 "[ . 1 . 2]" 1
240 1 16 ARG HA 1 89 VAL QG . . 4.500 3.755 3.339 4.332 . 0 0 "[ . 1 . 2]" 1
241 1 16 ARG HA 1 93 MET ME . . 5.500 4.711 4.117 5.151 . 0 0 "[ . 1 . 2]" 1
242 1 16 ARG QB 1 16 ARG HD2 . . 3.040 2.675 2.165 3.157 0.117 8 0 "[ . 1 . 2]" 1
243 1 16 ARG QB 1 16 ARG HD3 . . 2.760 2.598 2.080 3.147 0.387 18 0 "[ . 1 . 2]" 1
244 1 16 ARG QB 1 16 ARG HE . . 3.830 3.720 2.002 3.934 0.104 17 0 "[ . 1 . 2]" 1
245 1 16 ARG QB 1 16 ARG QG . . 2.400 2.010 1.974 2.062 . 0 0 "[ . 1 . 2]" 1
246 1 16 ARG QB 1 17 PRO HD2 . . 4.300 2.938 2.577 3.969 . 0 0 "[ . 1 . 2]" 1
247 1 16 ARG QB 1 17 PRO HD3 . . 3.910 3.892 3.714 4.008 0.098 8 0 "[ . 1 . 2]" 1
248 1 16 ARG QB 1 34 MET ME . . 2.400 1.968 1.893 2.271 . 0 0 "[ . 1 . 2]" 1
249 1 16 ARG HD2 1 34 MET ME . . 3.960 3.875 2.066 4.541 0.581 12 3 "[* . 1 + -. 2]" 1
250 1 16 ARG HD3 1 34 MET ME . . 4.450 3.736 2.576 4.448 . 0 0 "[ . 1 . 2]" 1
251 1 16 ARG QG 1 34 MET ME . . 2.400 2.322 1.953 2.469 0.069 10 0 "[ . 1 . 2]" 1
252 1 17 PRO HA 1 18 LEU H . . 2.830 2.421 2.099 2.731 . 0 0 "[ . 1 . 2]" 1
253 1 17 PRO HA 1 18 LEU HA . . 4.410 4.460 4.413 4.496 0.086 13 0 "[ . 1 . 2]" 1
254 1 17 PRO HA 1 18 LEU HB2 . . 5.500 4.161 3.982 4.339 . 0 0 "[ . 1 . 2]" 1
255 1 17 PRO HA 1 18 LEU HB3 . . 5.500 5.526 5.374 5.575 0.075 11 0 "[ . 1 . 2]" 1
256 1 17 PRO HB2 1 18 LEU H . . 4.020 2.591 1.905 3.330 . 0 0 "[ . 1 . 2]" 1
257 1 17 PRO HB2 1 18 LEU HA . . 4.550 4.469 4.184 4.614 0.064 14 0 "[ . 1 . 2]" 1
258 1 17 PRO HB2 1 18 LEU MD2 . . 5.090 4.885 4.611 5.180 0.090 6 0 "[ . 1 . 2]" 1
259 1 17 PRO HB2 1 19 ILE MD . . 4.170 2.783 2.258 3.104 . 0 0 "[ . 1 . 2]" 1
260 1 17 PRO HB3 1 18 LEU H . . 3.730 3.444 3.052 3.742 0.012 12 0 "[ . 1 . 2]" 1
261 1 17 PRO HB3 1 19 ILE MD . . 4.040 4.057 3.631 4.141 0.101 20 0 "[ . 1 . 2]" 1
262 1 17 PRO HB3 1 89 VAL QG . . 4.980 4.256 3.921 4.571 . 0 0 "[ . 1 . 2]" 1
263 1 17 PRO HD2 1 89 VAL QG . . 4.870 2.236 1.991 2.604 . 0 0 "[ . 1 . 2]" 1
264 1 17 PRO HD2 1 93 MET ME . . 5.500 4.442 4.115 4.745 . 0 0 "[ . 1 . 2]" 1
265 1 17 PRO HD2 1 93 MET HG2 . . 4.660 4.388 3.855 4.672 0.012 19 0 "[ . 1 . 2]" 1
266 1 17 PRO HD2 1 93 MET HG3 . . 4.240 3.746 3.370 4.093 . 0 0 "[ . 1 . 2]" 1
267 1 17 PRO HD3 1 89 VAL QG . . 3.630 2.990 2.687 3.557 . 0 0 "[ . 1 . 2]" 1
268 1 17 PRO HD3 1 93 MET ME . . 3.940 3.948 3.499 4.046 0.106 19 0 "[ . 1 . 2]" 1
269 1 17 PRO HD3 1 93 MET HG2 . . 4.830 2.809 2.356 3.342 . 0 0 "[ . 1 . 2]" 1
270 1 17 PRO HD3 1 93 MET HG3 . . 4.800 2.654 2.187 3.257 . 0 0 "[ . 1 . 2]" 1
271 1 17 PRO HG2 1 19 ILE MD . . 3.500 2.495 2.042 3.313 . 0 0 "[ . 1 . 2]" 1
272 1 17 PRO HG2 1 89 VAL HA . . 5.250 2.579 2.150 3.049 . 0 0 "[ . 1 . 2]" 1
273 1 17 PRO HG2 1 89 VAL QG . . 4.900 2.113 2.006 2.632 . 0 0 "[ . 1 . 2]" 1
274 1 17 PRO HG3 1 89 VAL QG . . 4.180 2.786 2.206 3.782 . 0 0 "[ . 1 . 2]" 1
275 1 17 PRO HG3 1 93 MET HG3 . . 3.280 2.394 2.086 2.853 . 0 0 "[ . 1 . 2]" 1
276 1 18 LEU H 1 18 LEU HB2 . . 3.170 2.475 2.306 2.803 . 0 0 "[ . 1 . 2]" 1
277 1 18 LEU H 1 18 LEU HB3 . . 3.500 3.479 3.287 3.569 0.069 18 0 "[ . 1 . 2]" 1
278 1 18 LEU H 1 18 LEU MD1 . . 4.750 4.319 4.071 4.423 . 0 0 "[ . 1 . 2]" 1
279 1 18 LEU H 1 18 LEU HG . . 5.500 4.590 4.170 4.978 . 0 0 "[ . 1 . 2]" 1
280 1 18 LEU H 1 19 ILE H . . 4.790 4.087 3.678 4.279 . 0 0 "[ . 1 . 2]" 1
281 1 18 LEU H 1 19 ILE QG . . 5.500 3.812 3.554 4.782 . 0 0 "[ . 1 . 2]" 1
282 1 18 LEU HA 1 18 LEU MD1 . . 3.880 2.132 2.053 2.309 . 0 0 "[ . 1 . 2]" 1
283 1 18 LEU HA 1 18 LEU MD2 . . 3.360 2.447 2.096 2.716 . 0 0 "[ . 1 . 2]" 1
284 1 18 LEU HA 1 19 ILE H . . 3.120 2.212 2.138 2.401 . 0 0 "[ . 1 . 2]" 1
285 1 18 LEU HA 1 20 HIS HE1 . . 5.500 5.332 4.747 5.575 0.075 19 0 "[ . 1 . 2]" 1
286 1 18 LEU HA 1 30 TYR QE . . 4.260 4.052 3.806 4.261 0.001 8 0 "[ . 1 . 2]" 1
287 1 18 LEU HA 1 34 MET ME . . 5.170 3.401 2.821 3.616 . 0 0 "[ . 1 . 2]" 1
288 1 18 LEU HB2 1 18 LEU MD1 . . 3.400 3.246 3.218 3.280 . 0 0 "[ . 1 . 2]" 1
289 1 18 LEU HB2 1 18 LEU HG . . 2.400 2.406 2.371 2.454 0.054 18 0 "[ . 1 . 2]" 1
290 1 18 LEU HB2 1 19 ILE H . . 4.670 4.586 4.385 4.721 0.051 10 0 "[ . 1 . 2]" 1
291 1 18 LEU HB3 1 18 LEU MD1 . . 3.540 2.338 2.275 2.464 . 0 0 "[ . 1 . 2]" 1
292 1 18 LEU HB3 1 18 LEU HG . . 2.680 2.419 2.360 2.478 . 0 0 "[ . 1 . 2]" 1
293 1 18 LEU HB3 1 19 ILE H . . 4.450 3.793 3.268 4.289 . 0 0 "[ . 1 . 2]" 1
294 1 18 LEU HB3 1 34 MET ME . . 5.500 5.384 4.646 5.613 0.113 13 0 "[ . 1 . 2]" 1
295 1 18 LEU MD1 1 19 ILE H . . 4.730 3.288 2.182 3.928 . 0 0 "[ . 1 . 2]" 1
296 1 18 LEU MD1 1 34 MET ME . . 3.800 3.031 2.171 3.640 . 0 0 "[ . 1 . 2]" 1
297 1 18 LEU MD2 1 19 ILE H . . 4.470 4.309 3.771 4.568 0.098 18 0 "[ . 1 . 2]" 1
298 1 18 LEU MD2 1 30 TYR QE . . 5.280 4.931 4.452 5.385 0.105 19 0 "[ . 1 . 2]" 1
299 1 18 LEU MD2 1 34 MET ME . . 3.710 2.591 2.035 3.432 . 0 0 "[ . 1 . 2]" 1
300 1 18 LEU HG 1 20 HIS HE1 . . 5.500 4.542 3.372 5.561 0.061 12 0 "[ . 1 . 2]" 1
301 1 19 ILE H 1 19 ILE HB . . 3.470 2.553 2.192 2.795 . 0 0 "[ . 1 . 2]" 1
302 1 19 ILE H 1 19 ILE MD . . 4.800 2.998 2.168 3.913 . 0 0 "[ . 1 . 2]" 1
303 1 19 ILE H 1 19 ILE QG . . 3.740 2.849 2.440 3.080 . 0 0 "[ . 1 . 2]" 1
304 1 19 ILE H 1 19 ILE MG . . 4.430 3.844 3.690 3.939 . 0 0 "[ . 1 . 2]" 1
305 1 19 ILE H 1 30 TYR QE . . 3.160 3.226 2.965 3.263 0.103 11 0 "[ . 1 . 2]" 1
306 1 19 ILE HA 1 19 ILE MD . . 4.110 3.217 2.152 3.836 . 0 0 "[ . 1 . 2]" 1
307 1 19 ILE HA 1 19 ILE MG . . 3.400 2.399 2.236 2.672 . 0 0 "[ . 1 . 2]" 1
308 1 19 ILE HA 1 20 HIS H . . 2.940 2.250 1.902 2.487 . 0 0 "[ . 1 . 2]" 1
309 1 19 ILE HA 1 20 HIS HD2 . . 5.500 3.469 2.772 5.523 0.023 2 0 "[ . 1 . 2]" 1
310 1 19 ILE HB 1 19 ILE MD . . 3.290 2.561 2.113 3.269 . 0 0 "[ . 1 . 2]" 1
311 1 19 ILE HB 1 20 HIS H . . 4.050 3.825 3.403 4.139 0.089 14 0 "[ . 1 . 2]" 1
312 1 19 ILE HB 1 21 PHE QE . . 4.200 2.899 2.197 4.181 . 0 0 "[ . 1 . 2]" 1
313 1 19 ILE HB 1 21 PHE HZ . . 5.500 4.555 3.362 5.293 . 0 0 "[ . 1 . 2]" 1
314 1 19 ILE HB 1 30 TYR QE . . 4.180 3.454 2.979 3.932 . 0 0 "[ . 1 . 2]" 1
315 1 19 ILE MD 1 19 ILE MG . . 3.130 2.461 1.982 3.036 . 0 0 "[ . 1 . 2]" 1
316 1 19 ILE MD 1 21 PHE QE . . 4.090 3.837 3.148 4.238 0.148 7 0 "[ . 1 . 2]" 1
317 1 19 ILE MD 1 21 PHE HZ . . 4.720 4.439 3.734 4.818 0.098 13 0 "[ . 1 . 2]" 1
318 1 19 ILE MD 1 30 TYR QE . . 4.370 2.872 2.072 4.187 . 0 0 "[ . 1 . 2]" 1
319 1 19 ILE MD 1 88 ARG HA . . 5.500 3.861 3.450 4.280 . 0 0 "[ . 1 . 2]" 1
320 1 19 ILE MD 1 88 ARG HB2 . . 4.330 3.565 2.935 3.814 . 0 0 "[ . 1 . 2]" 1
321 1 19 ILE MD 1 88 ARG HB3 . . 4.130 2.147 2.072 2.236 . 0 0 "[ . 1 . 2]" 1
322 1 19 ILE MD 1 88 ARG HD2 . . 5.220 4.874 3.564 5.329 0.109 1 0 "[ . 1 . 2]" 1
323 1 19 ILE MD 1 88 ARG HD3 . . 5.500 4.794 2.436 5.607 0.107 9 0 "[ . 1 . 2]" 1
324 1 19 ILE MD 1 88 ARG QG . . 4.110 3.497 2.306 3.934 . 0 0 "[ . 1 . 2]" 1
325 1 19 ILE MD 1 89 VAL H . . 4.530 3.605 3.331 4.011 . 0 0 "[ . 1 . 2]" 1
326 1 19 ILE MD 1 89 VAL HA . . 3.540 2.068 1.873 2.385 . 0 0 "[ . 1 . 2]" 1
327 1 19 ILE MD 1 89 VAL HB . . 4.560 3.923 3.329 4.576 0.016 6 0 "[ . 1 . 2]" 1
328 1 19 ILE MD 1 89 VAL QG . . 3.570 2.257 1.884 2.936 . 0 0 "[ . 1 . 2]" 1
329 1 19 ILE MD 1 92 GLN HB2 . . 4.630 2.686 2.304 3.064 . 0 0 "[ . 1 . 2]" 1
330 1 19 ILE MD 1 92 GLN HB3 . . 4.650 3.657 3.364 4.079 . 0 0 "[ . 1 . 2]" 1
331 1 19 ILE MD 1 92 GLN HG2 . . 4.200 3.765 2.854 4.268 0.068 15 0 "[ . 1 . 2]" 1
332 1 19 ILE MD 1 92 GLN HG3 . . 3.520 2.665 2.060 3.159 . 0 0 "[ . 1 . 2]" 1
333 1 19 ILE QG 1 30 TYR QE . . 5.500 3.690 2.339 4.632 . 0 0 "[ . 1 . 2]" 1
334 1 19 ILE QG 1 88 ARG QG . . 5.220 3.884 3.355 4.675 . 0 0 "[ . 1 . 2]" 1
335 1 19 ILE QG 1 89 VAL HA . . 3.740 3.410 3.012 3.566 . 0 0 "[ . 1 . 2]" 1
336 1 19 ILE MG 1 20 HIS H . . 3.490 2.356 1.933 3.155 . 0 0 "[ . 1 . 2]" 1
337 1 19 ILE MG 1 21 PHE HA . . 4.550 3.338 2.476 4.639 0.089 2 0 "[ . 1 . 2]" 1
338 1 19 ILE MG 1 21 PHE QD . . 5.500 3.098 2.532 4.302 . 0 0 "[ . 1 . 2]" 1
339 1 19 ILE MG 1 21 PHE QE . . 4.170 3.138 2.435 4.142 . 0 0 "[ . 1 . 2]" 1
340 1 19 ILE MG 1 21 PHE HZ . . 5.110 3.884 2.661 4.966 . 0 0 "[ . 1 . 2]" 1
341 1 19 ILE MG 1 30 TYR QE . . 4.910 4.457 3.874 5.003 0.093 2 0 "[ . 1 . 2]" 1
342 1 19 ILE MG 1 88 ARG HB3 . . 4.670 2.401 2.132 2.923 . 0 0 "[ . 1 . 2]" 1
343 1 19 ILE MG 1 88 ARG HD2 . . 5.370 3.933 2.048 4.715 . 0 0 "[ . 1 . 2]" 1
344 1 19 ILE MG 1 88 ARG HD3 . . 5.380 3.722 2.135 4.432 . 0 0 "[ . 1 . 2]" 1
345 1 19 ILE MG 1 88 ARG HE . . 5.500 4.295 3.578 5.401 . 0 0 "[ . 1 . 2]" 1
346 1 19 ILE MG 1 88 ARG QG . . 4.390 2.411 1.981 3.506 . 0 0 "[ . 1 . 2]" 1
347 1 19 ILE MG 1 89 VAL HA . . 4.770 4.841 4.660 4.888 0.118 11 0 "[ . 1 . 2]" 1
348 1 19 ILE MG 1 92 GLN HG2 . . 5.500 4.628 3.515 5.572 0.072 5 0 "[ . 1 . 2]" 1
349 1 19 ILE MG 1 92 GLN HG3 . . 4.730 4.058 3.560 4.804 0.074 20 0 "[ . 1 . 2]" 1
350 1 20 HIS H 1 20 HIS HB2 . . 3.870 2.957 2.591 3.452 . 0 0 "[ . 1 . 2]" 1
351 1 20 HIS H 1 20 HIS HB3 . . 3.940 3.780 3.395 3.988 0.048 8 0 "[ . 1 . 2]" 1
352 1 20 HIS H 1 20 HIS HD2 . . 4.000 2.790 2.226 4.054 0.054 2 0 "[ . 1 . 2]" 1
353 1 20 HIS HA 1 21 PHE H . . 3.000 2.232 1.948 2.477 . 0 0 "[ . 1 . 2]" 1
354 1 20 HIS HA 1 21 PHE QD . . 5.500 3.755 2.589 4.969 . 0 0 "[ . 1 . 2]" 1
355 1 20 HIS HA 1 22 GLY H . . 4.390 3.683 3.160 4.358 . 0 0 "[ . 1 . 2]" 1
356 1 20 HIS HB2 1 21 PHE H . . 4.420 4.143 3.122 4.472 0.052 19 0 "[ . 1 . 2]" 1
357 1 20 HIS HB3 1 21 PHE H . . 4.400 3.949 2.460 4.409 0.009 13 0 "[ . 1 . 2]" 1
358 1 20 HIS HB3 1 22 GLY H . . 5.500 4.211 3.277 4.816 . 0 0 "[ . 1 . 2]" 1
359 1 20 HIS HD2 1 21 PHE H . . 5.500 5.578 5.562 5.592 0.092 18 0 "[ . 1 . 2]" 1
360 1 21 PHE H 1 21 PHE HB2 . . 3.850 2.435 2.240 2.705 . 0 0 "[ . 1 . 2]" 1
361 1 21 PHE H 1 21 PHE HB3 . . 3.460 3.603 3.516 3.687 0.227 3 0 "[ . 1 . 2]" 1
362 1 21 PHE H 1 21 PHE QD . . 3.340 2.355 1.894 3.203 . 0 0 "[ . 1 . 2]" 1
363 1 21 PHE H 1 22 GLY H . . 3.970 2.710 1.775 3.249 . 0 0 "[ . 1 . 2]" 1
364 1 21 PHE H 1 23 SER H . . 5.230 4.515 3.799 5.177 . 0 0 "[ . 1 . 2]" 1
365 1 21 PHE HA 1 21 PHE QD . . 3.610 3.036 2.357 3.260 . 0 0 "[ . 1 . 2]" 1
366 1 21 PHE HA 1 23 SER H . . 5.500 4.695 4.118 5.168 . 0 0 "[ . 1 . 2]" 1
367 1 21 PHE HB2 1 22 GLY H . . 3.600 2.854 2.357 3.342 . 0 0 "[ . 1 . 2]" 1
368 1 21 PHE HB2 1 23 SER H . . 4.060 3.072 2.703 3.530 . 0 0 "[ . 1 . 2]" 1
369 1 21 PHE HB2 1 26 GLU HB2 . . 3.630 2.604 2.282 3.108 . 0 0 "[ . 1 . 2]" 1
370 1 21 PHE HB2 1 26 GLU HB3 . . 3.960 2.828 2.221 3.549 . 0 0 "[ . 1 . 2]" 1
371 1 21 PHE HB3 1 22 GLY H . . 4.260 3.603 3.282 3.687 . 0 0 "[ . 1 . 2]" 1
372 1 21 PHE HB3 1 23 SER H . . 4.030 3.282 2.764 4.109 0.079 9 0 "[ . 1 . 2]" 1
373 1 21 PHE HB3 1 26 GLU HB2 . . 4.020 2.861 2.397 3.473 . 0 0 "[ . 1 . 2]" 1
374 1 21 PHE HB3 1 26 GLU HB3 . . 4.520 2.675 2.151 3.340 . 0 0 "[ . 1 . 2]" 1
375 1 21 PHE HB3 1 26 GLU HG3 . . 5.500 3.471 3.156 3.961 . 0 0 "[ . 1 . 2]" 1
376 1 21 PHE QD 1 22 GLY H . . 5.500 4.390 3.856 4.867 . 0 0 "[ . 1 . 2]" 1
377 1 21 PHE QD 1 26 GLU HB2 . . 5.500 3.889 2.999 4.304 . 0 0 "[ . 1 . 2]" 1
378 1 21 PHE QD 1 26 GLU HB3 . . 5.500 2.972 2.390 3.473 . 0 0 "[ . 1 . 2]" 1
379 1 21 PHE QD 1 27 ASP H . . 5.500 4.340 3.506 4.852 . 0 0 "[ . 1 . 2]" 1
380 1 21 PHE QD 1 27 ASP HA . . 4.510 2.648 2.097 3.034 . 0 0 "[ . 1 . 2]" 1
381 1 21 PHE QD 1 27 ASP HB2 . . 4.530 4.204 3.471 4.744 0.214 18 0 "[ . 1 . 2]" 1
382 1 21 PHE QD 1 30 TYR HB3 . . 4.880 4.151 3.443 4.586 . 0 0 "[ . 1 . 2]" 1
383 1 21 PHE QD 1 30 TYR QD . . 4.760 3.736 3.418 4.057 . 0 0 "[ . 1 . 2]" 1
384 1 21 PHE QD 1 85 MET ME . . 5.500 3.484 3.200 3.661 . 0 0 "[ . 1 . 2]" 1
385 1 21 PHE QE 1 30 TYR QD . . 3.160 2.937 2.699 3.246 0.086 20 0 "[ . 1 . 2]" 1
386 1 21 PHE QE 1 85 MET ME . . 3.460 2.533 2.233 2.892 . 0 0 "[ . 1 . 2]" 1
387 1 21 PHE QE 1 85 MET HG2 . . 3.850 3.768 2.894 3.932 0.082 5 0 "[ . 1 . 2]" 1
388 1 21 PHE QE 1 88 ARG HD2 . . 4.410 3.659 2.491 4.446 0.036 16 0 "[ . 1 . 2]" 1
389 1 21 PHE QE 1 88 ARG HD3 . . 3.860 3.095 2.208 4.496 0.636 11 2 "[ . 1+ . -2]" 1
390 1 21 PHE QE 1 88 ARG QG . . 5.280 2.884 2.049 3.445 . 0 0 "[ . 1 . 2]" 1
391 1 21 PHE HZ 1 26 GLU HB3 . . 5.500 5.528 5.121 5.580 0.080 13 0 "[ . 1 . 2]" 1
392 1 21 PHE HZ 1 30 TYR QD . . 3.480 3.560 3.527 3.584 0.104 10 0 "[ . 1 . 2]" 1
393 1 21 PHE HZ 1 85 MET HA . . 5.500 2.392 2.110 2.885 . 0 0 "[ . 1 . 2]" 1
394 1 21 PHE HZ 1 85 MET HB3 . . 4.860 3.984 3.496 4.290 . 0 0 "[ . 1 . 2]" 1
395 1 21 PHE HZ 1 85 MET ME . . 4.140 2.570 2.151 3.584 . 0 0 "[ . 1 . 2]" 1
396 1 21 PHE HZ 1 85 MET HG2 . . 4.210 4.157 3.272 4.298 0.088 10 0 "[ . 1 . 2]" 1
397 1 21 PHE HZ 1 85 MET HG3 . . 5.500 5.512 4.929 5.583 0.083 3 0 "[ . 1 . 2]" 1
398 1 21 PHE HZ 1 88 ARG HB2 . . 3.800 2.806 2.444 3.370 . 0 0 "[ . 1 . 2]" 1
399 1 21 PHE HZ 1 88 ARG HD2 . . 4.740 4.391 3.452 4.819 0.079 5 0 "[ . 1 . 2]" 1
400 1 21 PHE HZ 1 88 ARG HD3 . . 4.540 4.172 3.269 4.808 0.268 7 0 "[ . 1 . 2]" 1
401 1 21 PHE HZ 1 88 ARG QG . . 5.170 3.358 2.548 4.004 . 0 0 "[ . 1 . 2]" 1
402 1 22 GLY H 1 23 SER H . . 3.350 2.550 2.191 3.039 . 0 0 "[ . 1 . 2]" 1
403 1 22 GLY H 1 23 SER HA . . 5.500 4.875 4.390 5.392 . 0 0 "[ . 1 . 2]" 1
404 1 23 SER H 1 23 SER QB . . 3.600 2.476 2.012 2.981 . 0 0 "[ . 1 . 2]" 1
405 1 23 SER H 1 26 GLU H . . 4.100 4.153 4.012 4.185 0.085 18 0 "[ . 1 . 2]" 1
406 1 23 SER H 1 26 GLU HB2 . . 3.760 2.842 2.570 3.041 . 0 0 "[ . 1 . 2]" 1
407 1 23 SER H 1 26 GLU HB3 . . 4.350 4.270 3.857 4.437 0.087 19 0 "[ . 1 . 2]" 1
408 1 23 SER H 1 26 GLU HG3 . . 4.750 3.761 3.057 4.146 . 0 0 "[ . 1 . 2]" 1
409 1 23 SER H 1 27 ASP H . . 4.180 3.870 3.447 4.256 0.076 8 0 "[ . 1 . 2]" 1
410 1 23 SER HA 1 24 ASP H . . 2.760 2.220 2.113 2.518 . 0 0 "[ . 1 . 2]" 1
411 1 23 SER HA 1 25 TYR H . . 4.100 3.897 3.619 4.144 0.044 9 0 "[ . 1 . 2]" 1
412 1 23 SER HA 1 26 GLU HG2 . . 5.500 5.102 4.560 5.573 0.073 15 0 "[ . 1 . 2]" 1
413 1 23 SER HA 1 26 GLU HG3 . . 4.880 4.992 4.745 5.548 0.668 11 1 "[ . 1+ . 2]" 1
414 1 23 SER QB 1 24 ASP H . . 3.550 3.065 2.528 3.450 . 0 0 "[ . 1 . 2]" 1
415 1 23 SER QB 1 24 ASP QB . . 5.060 4.496 3.939 4.906 . 0 0 "[ . 1 . 2]" 1
416 1 23 SER QB 1 25 TYR H . . 4.250 2.648 2.335 3.121 . 0 0 "[ . 1 . 2]" 1
417 1 23 SER QB 1 25 TYR QE . . 5.160 2.828 2.458 3.118 . 0 0 "[ . 1 . 2]" 1
418 1 23 SER QB 1 26 GLU H . . 4.510 2.225 1.953 2.535 . 0 0 "[ . 1 . 2]" 1
419 1 23 SER QB 1 26 GLU HB2 . . 3.120 2.251 1.931 2.996 . 0 0 "[ . 1 . 2]" 1
420 1 24 ASP H 1 24 ASP QB . . 2.980 2.445 2.052 2.772 . 0 0 "[ . 1 . 2]" 1
421 1 24 ASP H 1 25 TYR H . . 3.600 2.722 2.306 2.943 . 0 0 "[ . 1 . 2]" 1
422 1 24 ASP H 1 25 TYR HA . . 5.500 5.380 4.998 5.527 0.027 20 0 "[ . 1 . 2]" 1
423 1 24 ASP HA 1 25 TYR HA . . 4.930 4.708 4.598 4.824 . 0 0 "[ . 1 . 2]" 1
424 1 24 ASP HA 1 27 ASP H . . 4.000 3.867 3.594 4.059 0.059 9 0 "[ . 1 . 2]" 1
425 1 24 ASP HA 1 27 ASP HB2 . . 3.800 3.485 2.626 3.878 0.078 9 0 "[ . 1 . 2]" 1
426 1 24 ASP HA 1 27 ASP HB3 . . 3.630 2.948 2.605 3.874 0.244 18 0 "[ . 1 . 2]" 1
427 1 24 ASP HA 1 28 ARG H . . 5.160 5.078 4.711 5.238 0.078 11 0 "[ . 1 . 2]" 1
428 1 24 ASP QB 1 25 TYR H . . 3.220 2.963 2.671 3.311 0.091 8 0 "[ . 1 . 2]" 1
429 1 24 ASP QB 1 25 TYR HB2 . . 5.500 5.326 4.993 5.592 0.092 20 0 "[ . 1 . 2]" 1
430 1 24 ASP QB 1 25 TYR HB3 . . 4.380 4.058 3.788 4.329 . 0 0 "[ . 1 . 2]" 1
431 1 24 ASP QB 1 25 TYR QE . . 5.500 4.404 3.746 5.367 . 0 0 "[ . 1 . 2]" 1
432 1 24 ASP QB 1 27 ASP HB3 . . 5.110 4.635 4.183 5.741 0.631 18 1 "[ . 1 . + 2]" 1
433 1 25 TYR H 1 25 TYR HB2 . . 3.610 3.609 3.483 3.672 0.062 10 0 "[ . 1 . 2]" 1
434 1 25 TYR H 1 25 TYR QD . . 3.610 2.520 2.302 2.760 . 0 0 "[ . 1 . 2]" 1
435 1 25 TYR H 1 26 GLU H . . 3.550 2.196 2.022 2.369 . 0 0 "[ . 1 . 2]" 1
436 1 25 TYR H 1 26 GLU HB2 . . 4.310 4.209 3.973 4.382 0.072 5 0 "[ . 1 . 2]" 1
437 1 25 TYR H 1 27 ASP H . . 3.520 3.565 3.321 3.604 0.084 12 0 "[ . 1 . 2]" 1
438 1 25 TYR H 1 28 ARG H . . 4.670 4.649 4.410 4.749 0.079 13 0 "[ . 1 . 2]" 1
439 1 25 TYR HA 1 25 TYR QD . . 4.330 3.735 3.668 3.801 . 0 0 "[ . 1 . 2]" 1
440 1 25 TYR HA 1 28 ARG H . . 4.380 3.347 3.024 3.605 . 0 0 "[ . 1 . 2]" 1
441 1 25 TYR HA 1 28 ARG QB . . 3.790 2.871 2.370 3.340 . 0 0 "[ . 1 . 2]" 1
442 1 25 TYR HA 1 29 TYR H . . 5.120 4.017 3.797 4.149 . 0 0 "[ . 1 . 2]" 1
443 1 25 TYR HB2 1 26 GLU H . . 4.140 3.720 3.541 3.923 . 0 0 "[ . 1 . 2]" 1
444 1 25 TYR HB2 1 26 GLU HA . . 4.460 4.512 4.453 4.539 0.079 3 0 "[ . 1 . 2]" 1
445 1 25 TYR QD 1 26 GLU H . . 3.110 3.053 2.796 3.191 0.081 14 0 "[ . 1 . 2]" 1
446 1 25 TYR QD 1 26 GLU HA . . 3.760 3.601 3.248 3.852 0.092 19 0 "[ . 1 . 2]" 1
447 1 25 TYR QD 1 26 GLU HB2 . . 5.050 4.630 4.410 4.857 . 0 0 "[ . 1 . 2]" 1
448 1 25 TYR QD 1 26 GLU HG2 . . 4.940 2.699 2.361 3.133 . 0 0 "[ . 1 . 2]" 1
449 1 25 TYR QD 1 26 GLU HG3 . . 4.740 4.323 4.026 4.764 0.024 14 0 "[ . 1 . 2]" 1
450 1 25 TYR QD 1 27 ASP H . . 5.500 5.076 4.926 5.188 . 0 0 "[ . 1 . 2]" 1
451 1 25 TYR QD 1 29 TYR HB3 . . 5.500 5.442 5.063 6.061 0.561 8 1 "[ . + 1 . 2]" 1
452 1 25 TYR QE 1 26 GLU HA . . 5.500 4.999 4.431 5.472 . 0 0 "[ . 1 . 2]" 1
453 1 25 TYR QE 1 26 GLU HB2 . . 5.500 4.962 4.752 5.168 . 0 0 "[ . 1 . 2]" 1
454 1 26 GLU H 1 26 GLU HB2 . . 3.060 2.356 2.279 2.457 . 0 0 "[ . 1 . 2]" 1
455 1 26 GLU H 1 26 GLU HB3 . . 3.740 3.559 3.517 3.594 . 0 0 "[ . 1 . 2]" 1
456 1 26 GLU H 1 26 GLU HG2 . . 4.210 2.359 2.076 2.590 . 0 0 "[ . 1 . 2]" 1
457 1 26 GLU H 1 26 GLU HG3 . . 4.810 3.464 3.109 3.826 . 0 0 "[ . 1 . 2]" 1
458 1 26 GLU H 1 27 ASP H . . 3.370 2.472 2.219 2.665 . 0 0 "[ . 1 . 2]" 1
459 1 26 GLU H 1 28 ARG H . . 4.400 3.904 3.707 4.152 . 0 0 "[ . 1 . 2]" 1
460 1 26 GLU HA 1 26 GLU HG2 . . 3.720 2.930 2.694 3.094 . 0 0 "[ . 1 . 2]" 1
461 1 26 GLU HA 1 26 GLU HG3 . . 4.110 3.827 3.757 3.887 . 0 0 "[ . 1 . 2]" 1
462 1 26 GLU HA 1 29 TYR H . . 4.210 3.158 2.874 3.479 . 0 0 "[ . 1 . 2]" 1
463 1 26 GLU HA 1 29 TYR HB2 . . 4.480 2.661 2.117 3.562 . 0 0 "[ . 1 . 2]" 1
464 1 26 GLU HA 1 29 TYR HB3 . . 3.500 2.828 2.372 3.240 . 0 0 "[ . 1 . 2]" 1
465 1 26 GLU HA 1 30 TYR H . . 5.500 4.112 3.611 4.449 . 0 0 "[ . 1 . 2]" 1
466 1 26 GLU HB2 1 26 GLU HG2 . . 2.730 2.558 2.436 2.711 . 0 0 "[ . 1 . 2]" 1
467 1 26 GLU HB2 1 26 GLU HG3 . . 2.400 2.310 2.165 2.428 0.028 11 0 "[ . 1 . 2]" 1
468 1 26 GLU HB2 1 27 ASP H . . 3.670 2.483 2.321 2.643 . 0 0 "[ . 1 . 2]" 1
469 1 26 GLU HB3 1 27 ASP H . . 5.500 3.538 3.320 3.772 . 0 0 "[ . 1 . 2]" 1
470 1 27 ASP H 1 27 ASP HB2 . . 3.200 2.387 2.006 2.696 . 0 0 "[ . 1 . 2]" 1
471 1 27 ASP H 1 27 ASP HB3 . . 3.130 2.536 2.144 3.288 0.158 18 0 "[ . 1 . 2]" 1
472 1 27 ASP HB2 1 28 ARG H . . 5.500 4.098 3.317 4.371 . 0 0 "[ . 1 . 2]" 1
473 1 27 ASP HB3 1 28 ARG H . . 3.500 3.175 2.801 3.728 0.228 18 0 "[ . 1 . 2]" 1
474 1 28 ARG H 1 28 ARG QB . . 2.840 2.494 2.341 2.743 . 0 0 "[ . 1 . 2]" 1
475 1 28 ARG H 1 28 ARG QG . . 4.400 3.468 2.424 4.067 . 0 0 "[ . 1 . 2]" 1
476 1 28 ARG H 1 29 TYR H . . 2.400 2.205 2.058 2.396 . 0 0 "[ . 1 . 2]" 1
477 1 28 ARG H 1 30 TYR H . . 4.060 3.972 3.507 4.133 0.073 16 0 "[ . 1 . 2]" 1
478 1 28 ARG H 1 30 TYR QD . . 4.700 4.422 4.066 4.768 0.068 19 0 "[ . 1 . 2]" 1
479 1 28 ARG H 1 31 ARG H . . 4.650 4.481 4.158 4.649 . 0 0 "[ . 1 . 2]" 1
480 1 28 ARG HA 1 28 ARG QB . . 2.760 2.305 2.173 2.384 . 0 0 "[ . 1 . 2]" 1
481 1 28 ARG HA 1 28 ARG HE . . 4.360 4.044 3.627 4.429 0.069 11 0 "[ . 1 . 2]" 1
482 1 28 ARG HA 1 28 ARG QG . . 3.510 2.495 2.307 2.827 . 0 0 "[ . 1 . 2]" 1
483 1 28 ARG HA 1 31 ARG H . . 3.000 2.854 2.689 2.958 . 0 0 "[ . 1 . 2]" 1
484 1 28 ARG HA 1 31 ARG HA . . 4.720 4.758 4.655 4.797 0.077 19 0 "[ . 1 . 2]" 1
485 1 28 ARG HA 1 31 ARG HB2 . . 4.620 3.979 3.735 4.240 . 0 0 "[ . 1 . 2]" 1
486 1 28 ARG HA 1 31 ARG HB3 . . 3.150 2.574 2.140 3.008 . 0 0 "[ . 1 . 2]" 1
487 1 28 ARG HA 1 31 ARG QD . . 4.800 2.147 1.966 2.584 . 0 0 "[ . 1 . 2]" 1
488 1 28 ARG HA 1 31 ARG HG3 . . 4.240 3.757 3.608 4.051 . 0 0 "[ . 1 . 2]" 1
489 1 28 ARG QB 1 28 ARG HD2 . . 3.770 2.696 2.228 3.347 . 0 0 "[ . 1 . 2]" 1
490 1 28 ARG QB 1 28 ARG HD3 . . 3.600 2.975 2.287 3.344 . 0 0 "[ . 1 . 2]" 1
491 1 28 ARG QB 1 28 ARG HE . . 3.320 2.521 1.881 3.373 0.053 11 0 "[ . 1 . 2]" 1
492 1 28 ARG QB 1 28 ARG QG . . 2.400 2.116 2.085 2.131 . 0 0 "[ . 1 . 2]" 1
493 1 28 ARG QB 1 29 TYR H . . 3.310 2.942 2.735 3.247 . 0 0 "[ . 1 . 2]" 1
494 1 28 ARG QB 1 31 ARG QD . . 2.960 2.711 2.379 2.896 . 0 0 "[ . 1 . 2]" 1
495 1 28 ARG HE 1 31 ARG QD . . 3.620 2.568 1.955 3.321 . 0 0 "[ . 1 . 2]" 1
496 1 28 ARG QG 1 29 TYR H . . 4.510 3.859 3.080 4.260 . 0 0 "[ . 1 . 2]" 1
497 1 28 ARG QG 1 31 ARG QD . . 2.990 2.344 2.029 2.852 . 0 0 "[ . 1 . 2]" 1
498 1 29 TYR H 1 29 TYR HB2 . . 3.230 2.081 1.962 2.186 . 0 0 "[ . 1 . 2]" 1
499 1 29 TYR H 1 29 TYR HB3 . . 3.250 2.816 2.237 3.063 . 0 0 "[ . 1 . 2]" 1
500 1 29 TYR H 1 29 TYR QD . . 3.650 3.730 3.466 3.776 0.126 6 0 "[ . 1 . 2]" 1
501 1 29 TYR H 1 30 TYR H . . 3.500 2.870 2.714 3.000 . 0 0 "[ . 1 . 2]" 1
502 1 29 TYR H 1 30 TYR HA . . 5.500 5.460 5.347 5.544 0.044 10 0 "[ . 1 . 2]" 1
503 1 29 TYR H 1 30 TYR HB3 . . 4.920 4.780 4.553 4.951 0.031 3 0 "[ . 1 . 2]" 1
504 1 29 TYR H 1 31 ARG H . . 3.910 3.961 3.867 3.993 0.083 20 0 "[ . 1 . 2]" 1
505 1 29 TYR H 1 85 MET ME . . 5.160 4.056 3.554 4.380 . 0 0 "[ . 1 . 2]" 1
506 1 29 TYR HA 1 29 TYR QD . . 4.010 2.359 2.012 3.138 . 0 0 "[ . 1 . 2]" 1
507 1 29 TYR HA 1 31 ARG H . . 4.130 4.193 4.099 4.215 0.085 19 0 "[ . 1 . 2]" 1
508 1 29 TYR HA 1 85 MET ME . . 5.500 4.701 4.534 4.944 . 0 0 "[ . 1 . 2]" 1
509 1 29 TYR HB2 1 30 TYR H . . 4.320 3.660 3.202 3.853 . 0 0 "[ . 1 . 2]" 1
510 1 29 TYR HB2 1 85 MET ME . . 5.130 3.618 3.292 3.725 . 0 0 "[ . 1 . 2]" 1
511 1 29 TYR HB3 1 30 TYR H . . 3.780 2.699 2.370 3.148 . 0 0 "[ . 1 . 2]" 1
512 1 29 TYR HB3 1 85 MET ME . . 3.660 2.252 2.092 2.403 . 0 0 "[ . 1 . 2]" 1
513 1 29 TYR QD 1 30 TYR H . . 5.500 4.387 4.019 4.649 . 0 0 "[ . 1 . 2]" 1
514 1 29 TYR QD 1 30 TYR HA . . 5.240 4.855 3.995 5.254 0.014 4 0 "[ . 1 . 2]" 1
515 1 29 TYR QD 1 81 THR MG . . 5.020 3.628 2.810 4.348 . 0 0 "[ . 1 . 2]" 1
516 1 29 TYR QD 1 85 MET ME . . 5.360 2.889 2.207 3.683 . 0 0 "[ . 1 . 2]" 1
517 1 29 TYR QD 1 85 MET HG3 . . 4.290 3.899 3.437 4.356 0.066 10 0 "[ . 1 . 2]" 1
518 1 29 TYR QE 1 81 THR MG . . 4.520 3.499 2.063 4.611 0.091 20 0 "[ . 1 . 2]" 1
519 1 30 TYR H 1 30 TYR HB2 . . 3.330 3.365 3.177 3.411 0.081 19 0 "[ . 1 . 2]" 1
520 1 30 TYR H 1 30 TYR HB3 . . 3.700 2.092 1.993 2.174 . 0 0 "[ . 1 . 2]" 1
521 1 30 TYR H 1 30 TYR QD . . 3.870 2.800 2.332 3.279 . 0 0 "[ . 1 . 2]" 1
522 1 30 TYR H 1 31 ARG H . . 4.020 2.517 2.335 2.662 . 0 0 "[ . 1 . 2]" 1
523 1 30 TYR H 1 85 MET ME . . 4.220 2.682 2.388 2.976 . 0 0 "[ . 1 . 2]" 1
524 1 30 TYR HA 1 30 TYR QD . . 3.670 3.642 3.451 3.733 0.063 14 0 "[ . 1 . 2]" 1
525 1 30 TYR HA 1 33 ASN QB . . 4.390 3.890 2.904 4.499 0.109 14 0 "[ . 1 . 2]" 1
526 1 30 TYR HA 1 37 TYR QE . . 4.440 4.185 3.748 4.483 0.043 15 0 "[ . 1 . 2]" 1
527 1 30 TYR HA 1 85 MET ME . . 3.630 3.627 3.431 3.718 0.088 20 0 "[ . 1 . 2]" 1
528 1 30 TYR HA 1 85 MET HG2 . . 5.500 5.257 4.845 5.552 0.052 12 0 "[ . 1 . 2]" 1
529 1 30 TYR HB2 1 31 ARG H . . 4.350 4.396 4.307 4.425 0.075 20 0 "[ . 1 . 2]" 1
530 1 30 TYR HB2 1 85 MET ME . . 5.070 2.871 2.523 3.104 . 0 0 "[ . 1 . 2]" 1
531 1 30 TYR HB3 1 31 ARG H . . 3.640 3.665 3.456 3.722 0.082 10 0 "[ . 1 . 2]" 1
532 1 30 TYR QD 1 31 ARG H . . 3.300 2.703 2.546 2.883 . 0 0 "[ . 1 . 2]" 1
533 1 30 TYR QD 1 31 ARG HA . . 3.910 3.816 3.247 3.991 0.081 16 0 "[ . 1 . 2]" 1
534 1 30 TYR QD 1 34 MET HA . . 5.020 4.730 4.434 5.078 0.058 9 0 "[ . 1 . 2]" 1
535 1 30 TYR QD 1 34 MET ME . . 4.470 4.492 3.985 4.589 0.119 6 0 "[ . 1 . 2]" 1
536 1 30 TYR QD 1 34 MET HG2 . . 4.870 4.020 3.126 4.504 . 0 0 "[ . 1 . 2]" 1
537 1 30 TYR QD 1 37 TYR QD . . 5.070 4.412 4.097 4.599 . 0 0 "[ . 1 . 2]" 1
538 1 30 TYR QD 1 37 TYR QE . . 2.950 2.505 2.027 2.806 . 0 0 "[ . 1 . 2]" 1
539 1 30 TYR QD 1 85 MET HB3 . . 5.500 4.180 3.673 4.679 . 0 0 "[ . 1 . 2]" 1
540 1 30 TYR QD 1 85 MET ME . . 4.470 3.879 3.657 4.150 . 0 0 "[ . 1 . 2]" 1
541 1 30 TYR QE 1 31 ARG H . . 4.330 4.343 4.142 4.433 0.103 20 0 "[ . 1 . 2]" 1
542 1 30 TYR QE 1 31 ARG HB3 . . 5.340 3.270 2.838 3.894 . 0 0 "[ . 1 . 2]" 1
543 1 30 TYR QE 1 34 MET HA . . 5.500 4.983 4.697 5.242 . 0 0 "[ . 1 . 2]" 1
544 1 30 TYR QE 1 34 MET ME . . 3.860 3.092 2.550 3.332 . 0 0 "[ . 1 . 2]" 1
545 1 30 TYR QE 1 34 MET HG2 . . 5.500 3.599 3.131 3.954 . 0 0 "[ . 1 . 2]" 1
546 1 30 TYR QE 1 34 MET HG3 . . 5.500 4.452 2.953 5.243 . 0 0 "[ . 1 . 2]" 1
547 1 30 TYR QE 1 37 TYR QD . . 4.370 4.264 4.034 4.477 0.107 10 0 "[ . 1 . 2]" 1
548 1 30 TYR QE 1 37 TYR QE . . 3.310 3.273 2.957 3.392 0.082 10 0 "[ . 1 . 2]" 1
549 1 30 TYR QE 1 89 VAL HB . . 4.320 4.387 4.002 4.427 0.107 6 0 "[ . 1 . 2]" 1
550 1 30 TYR QE 1 89 VAL QG . . 3.600 2.059 1.947 2.285 . 0 0 "[ . 1 . 2]" 1
551 1 31 ARG H 1 31 ARG HB3 . . 3.250 2.451 2.302 2.625 . 0 0 "[ . 1 . 2]" 1
552 1 31 ARG H 1 31 ARG HG2 . . 4.260 2.993 2.787 3.343 . 0 0 "[ . 1 . 2]" 1
553 1 31 ARG H 1 31 ARG HG3 . . 4.500 4.154 3.987 4.410 . 0 0 "[ . 1 . 2]" 1
554 1 31 ARG H 1 32 GLU QB . . 4.150 4.210 4.044 4.260 0.110 20 0 "[ . 1 . 2]" 1
555 1 31 ARG H 1 33 ASN H . . 4.280 4.042 3.813 4.283 0.003 13 0 "[ . 1 . 2]" 1
556 1 31 ARG HA 1 31 ARG HE . . 4.760 4.733 4.436 4.847 0.087 11 0 "[ . 1 . 2]" 1
557 1 31 ARG HA 1 31 ARG HG3 . . 3.610 3.640 3.538 3.681 0.071 20 0 "[ . 1 . 2]" 1
558 1 31 ARG HA 1 33 ASN H . . 5.050 3.519 3.290 4.130 . 0 0 "[ . 1 . 2]" 1
559 1 31 ARG HA 1 34 MET H . . 4.690 3.482 3.046 3.931 . 0 0 "[ . 1 . 2]" 1
560 1 31 ARG HA 1 34 MET HA . . 4.180 4.263 4.250 4.275 0.095 15 0 "[ . 1 . 2]" 1
561 1 31 ARG HA 1 34 MET ME . . 4.050 3.815 3.196 4.136 0.086 18 0 "[ . 1 . 2]" 1
562 1 31 ARG HA 1 34 MET HG3 . . 4.170 2.010 1.866 2.504 . 0 0 "[ . 1 . 2]" 1
563 1 31 ARG HB2 1 32 GLU H . . 5.500 4.239 4.100 4.603 . 0 0 "[ . 1 . 2]" 1
564 1 31 ARG HB3 1 32 GLU H . . 4.020 3.839 3.620 4.031 0.011 16 0 "[ . 1 . 2]" 1
565 1 31 ARG HE 1 31 ARG HG2 . . 3.840 3.565 3.210 3.758 . 0 0 "[ . 1 . 2]" 1
566 1 31 ARG HG2 1 32 GLU HG2 . . 4.380 3.275 2.559 4.428 0.048 17 0 "[ . 1 . 2]" 1
567 1 31 ARG HG2 1 32 GLU HG3 . . 5.500 3.639 2.242 5.449 . 0 0 "[ . 1 . 2]" 1
568 1 31 ARG HG3 1 32 GLU QB . . 5.270 4.634 3.841 5.327 0.057 13 0 "[ . 1 . 2]" 1
569 1 32 GLU H 1 32 GLU QB . . 3.580 2.151 2.031 2.360 . 0 0 "[ . 1 . 2]" 1
570 1 32 GLU H 1 32 GLU HG2 . . 4.020 3.010 1.903 3.949 . 0 0 "[ . 1 . 2]" 1
571 1 32 GLU H 1 33 ASN H . . 3.820 2.769 2.474 2.925 . 0 0 "[ . 1 . 2]" 1
572 1 32 GLU H 1 33 ASN HD21 . . 4.800 4.217 3.720 4.866 0.066 12 0 "[ . 1 . 2]" 1
573 1 32 GLU HA 1 32 GLU HG2 . . 3.380 2.467 2.075 3.484 0.104 20 0 "[ . 1 . 2]" 1
574 1 32 GLU HA 1 32 GLU HG3 . . 3.440 3.283 2.698 3.537 0.097 9 0 "[ . 1 . 2]" 1
575 1 32 GLU HA 1 33 ASN HA . . 4.390 4.463 4.416 4.486 0.096 7 0 "[ . 1 . 2]" 1
576 1 32 GLU HA 1 34 MET H . . 5.150 4.029 3.495 4.358 . 0 0 "[ . 1 . 2]" 1
577 1 32 GLU QB 1 33 ASN H . . 3.670 3.425 3.148 3.691 0.021 20 0 "[ . 1 . 2]" 1
578 1 32 GLU QB 1 33 ASN HD21 . . 3.720 3.256 2.515 3.806 0.086 8 0 "[ . 1 . 2]" 1
579 1 32 GLU QB 1 33 ASN HD22 . . 4.030 3.570 2.687 4.120 0.090 14 0 "[ . 1 . 2]" 1
580 1 32 GLU HG2 1 33 ASN H . . 4.930 4.892 2.777 5.409 0.479 15 0 "[ . 1 . 2]" 1
581 1 33 ASN H 1 33 ASN QB . . 3.170 2.838 2.261 3.265 0.095 4 0 "[ . 1 . 2]" 1
582 1 33 ASN H 1 33 ASN HD21 . . 3.800 3.258 2.936 3.595 . 0 0 "[ . 1 . 2]" 1
583 1 33 ASN H 1 33 ASN HD22 . . 4.470 4.072 3.442 4.562 0.092 20 0 "[ . 1 . 2]" 1
584 1 33 ASN H 1 34 MET H . . 3.090 2.321 2.015 2.910 . 0 0 "[ . 1 . 2]" 1
585 1 33 ASN H 1 34 MET HA . . 4.100 4.099 3.940 4.189 0.089 20 0 "[ . 1 . 2]" 1
586 1 33 ASN H 1 34 MET HB2 . . 5.500 4.593 3.728 5.236 . 0 0 "[ . 1 . 2]" 1
587 1 33 ASN HA 1 33 ASN HD21 . . 4.570 3.894 2.991 4.350 . 0 0 "[ . 1 . 2]" 1
588 1 33 ASN HA 1 35 TYR H . . 5.500 3.836 3.324 4.214 . 0 0 "[ . 1 . 2]" 1
589 1 33 ASN HA 1 35 TYR QD . . 3.860 3.780 3.217 3.958 0.098 2 0 "[ . 1 . 2]" 1
590 1 33 ASN HA 1 35 TYR QE . . 3.460 2.953 2.071 3.481 0.021 2 0 "[ . 1 . 2]" 1
591 1 33 ASN HA 1 36 ARG HD3 . . 4.510 4.428 3.989 4.589 0.079 13 0 "[ . 1 . 2]" 1
592 1 33 ASN QB 1 33 ASN HD22 . . 3.690 3.333 3.278 3.428 . 0 0 "[ . 1 . 2]" 1
593 1 33 ASN QB 1 34 MET H . . 4.860 3.908 3.720 4.128 . 0 0 "[ . 1 . 2]" 1
594 1 33 ASN QB 1 35 TYR H . . 5.500 4.906 4.475 5.171 . 0 0 "[ . 1 . 2]" 1
595 1 33 ASN QB 1 36 ARG HD3 . . 5.440 4.502 3.841 5.230 . 0 0 "[ . 1 . 2]" 1
596 1 33 ASN QB 1 37 TYR QE . . 4.620 3.990 3.163 4.707 0.087 14 0 "[ . 1 . 2]" 1
597 1 34 MET H 1 34 MET HB2 . . 3.870 2.439 2.084 2.744 . 0 0 "[ . 1 . 2]" 1
598 1 34 MET H 1 34 MET HB3 . . 3.810 3.598 3.261 3.748 . 0 0 "[ . 1 . 2]" 1
599 1 34 MET H 1 34 MET ME . . 5.500 4.854 4.499 5.078 . 0 0 "[ . 1 . 2]" 1
600 1 34 MET H 1 34 MET HG2 . . 3.720 3.552 3.117 3.792 0.072 10 0 "[ . 1 . 2]" 1
601 1 34 MET H 1 34 MET HG3 . . 3.930 2.581 2.178 3.776 . 0 0 "[ . 1 . 2]" 1
602 1 34 MET H 1 35 TYR H . . 4.040 2.914 2.688 3.044 . 0 0 "[ . 1 . 2]" 1
603 1 34 MET HA 1 36 ARG H . . 4.630 3.759 3.598 3.902 . 0 0 "[ . 1 . 2]" 1
604 1 34 MET HA 1 36 ARG HG2 . . 5.140 5.208 5.119 5.228 0.088 4 0 "[ . 1 . 2]" 1
605 1 34 MET HA 1 37 TYR H . . 4.000 3.883 3.601 4.072 0.072 15 0 "[ . 1 . 2]" 1
606 1 34 MET HA 1 37 TYR QD . . 5.500 2.609 2.412 3.146 . 0 0 "[ . 1 . 2]" 1
607 1 34 MET HA 1 37 TYR QE . . 3.870 2.418 2.189 2.978 . 0 0 "[ . 1 . 2]" 1
608 1 34 MET HB2 1 34 MET ME . . 3.620 3.394 2.732 3.715 0.095 11 0 "[ . 1 . 2]" 1
609 1 34 MET HB2 1 35 TYR H . . 3.600 2.987 2.666 3.399 . 0 0 "[ . 1 . 2]" 1
610 1 34 MET HB2 1 36 ARG H . . 5.500 5.164 4.943 5.398 . 0 0 "[ . 1 . 2]" 1
611 1 34 MET HB3 1 34 MET ME . . 3.120 2.420 2.147 2.883 . 0 0 "[ . 1 . 2]" 1
612 1 34 MET HB3 1 34 MET HG3 . . 3.050 2.976 2.872 3.020 . 0 0 "[ . 1 . 2]" 1
613 1 34 MET HB3 1 35 TYR H . . 4.650 3.564 3.009 3.986 . 0 0 "[ . 1 . 2]" 1
614 1 34 MET ME 1 34 MET HG2 . . 2.400 2.461 2.197 3.332 0.932 12 3 "[* . 1 + -. 2]" 1
615 1 34 MET ME 1 37 TYR QD . . 4.110 4.000 2.941 4.246 0.136 14 0 "[ . 1 . 2]" 1
616 1 34 MET HG2 1 35 TYR H . . 5.230 5.041 4.798 5.244 0.014 7 0 "[ . 1 . 2]" 1
617 1 34 MET HG2 1 37 TYR QD . . 3.720 3.342 2.213 3.803 0.083 19 0 "[ . 1 . 2]" 1
618 1 34 MET HG2 1 37 TYR QE . . 5.500 2.561 1.970 3.046 . 0 0 "[ . 1 . 2]" 1
619 1 34 MET HG3 1 35 TYR H . . 4.720 4.684 4.358 5.262 0.542 12 3 "[- . 1 + *. 2]" 1
620 1 35 TYR H 1 35 TYR HB2 . . 3.620 3.469 3.312 3.579 . 0 0 "[ . 1 . 2]" 1
621 1 35 TYR H 1 35 TYR HB3 . . 3.510 2.929 2.682 3.178 . 0 0 "[ . 1 . 2]" 1
622 1 35 TYR H 1 35 TYR QD . . 2.600 2.529 2.112 2.698 0.098 7 0 "[ . 1 . 2]" 1
623 1 35 TYR H 1 35 TYR QE . . 4.150 3.759 3.475 4.002 . 0 0 "[ . 1 . 2]" 1
624 1 35 TYR H 1 36 ARG H . . 3.490 2.828 2.667 2.920 . 0 0 "[ . 1 . 2]" 1
625 1 35 TYR H 1 37 TYR H . . 5.500 4.467 4.348 4.619 . 0 0 "[ . 1 . 2]" 1
626 1 35 TYR HA 1 35 TYR QD . . 3.960 3.675 3.429 3.784 . 0 0 "[ . 1 . 2]" 1
627 1 35 TYR HA 1 37 TYR H . . 4.980 3.829 3.628 3.949 . 0 0 "[ . 1 . 2]" 1
628 1 35 TYR HB2 1 36 ARG H . . 5.500 3.892 3.624 4.025 . 0 0 "[ . 1 . 2]" 1
629 1 35 TYR HB2 1 36 ARG HA . . 4.240 4.282 4.111 4.315 0.075 6 0 "[ . 1 . 2]" 1
630 1 35 TYR HB3 1 36 ARG H . . 4.630 4.506 4.366 4.647 0.017 15 0 "[ . 1 . 2]" 1
631 1 35 TYR QD 1 36 ARG H . . 4.200 3.108 2.731 3.456 . 0 0 "[ . 1 . 2]" 1
632 1 35 TYR QD 1 36 ARG HA . . 4.940 3.666 3.042 4.558 . 0 0 "[ . 1 . 2]" 1
633 1 35 TYR QD 1 36 ARG HB2 . . 4.880 4.733 4.410 4.963 0.083 6 0 "[ . 1 . 2]" 1
634 1 35 TYR QD 1 36 ARG HD2 . . 4.360 3.557 2.430 4.389 0.029 6 0 "[ . 1 . 2]" 1
635 1 35 TYR QD 1 36 ARG HD3 . . 2.840 2.438 2.069 2.894 0.054 17 0 "[ . 1 . 2]" 1
636 1 35 TYR QE 1 36 ARG HD2 . . 5.500 4.557 3.617 5.570 0.070 3 0 "[ . 1 . 2]" 1
637 1 35 TYR QE 1 36 ARG HD3 . . 3.980 3.071 2.111 4.042 0.062 3 0 "[ . 1 . 2]" 1
638 1 36 ARG H 1 36 ARG HB2 . . 3.470 2.534 2.418 2.612 . 0 0 "[ . 1 . 2]" 1
639 1 36 ARG H 1 36 ARG HB3 . . 3.680 3.603 3.556 3.644 . 0 0 "[ . 1 . 2]" 1
640 1 36 ARG H 1 36 ARG HD3 . . 4.420 3.803 3.227 4.247 . 0 0 "[ . 1 . 2]" 1
641 1 36 ARG H 1 36 ARG HE . . 5.500 5.254 4.804 5.555 0.055 7 0 "[ . 1 . 2]" 1
642 1 36 ARG H 1 36 ARG HG2 . . 4.490 2.198 2.122 2.301 . 0 0 "[ . 1 . 2]" 1
643 1 36 ARG H 1 36 ARG HG3 . . 3.540 3.588 3.511 3.624 0.084 15 0 "[ . 1 . 2]" 1
644 1 36 ARG H 1 37 TYR H . . 2.620 2.539 2.353 2.655 0.035 18 0 "[ . 1 . 2]" 1
645 1 36 ARG H 1 37 TYR QB . . 4.700 4.667 4.407 4.765 0.065 20 0 "[ . 1 . 2]" 1
646 1 36 ARG HA 1 36 ARG HG2 . . 3.460 3.249 3.111 3.345 . 0 0 "[ . 1 . 2]" 1
647 1 36 ARG HA 1 36 ARG HG3 . . 3.980 3.879 3.799 3.939 . 0 0 "[ . 1 . 2]" 1
648 1 36 ARG HB2 1 36 ARG HD2 . . 4.120 3.647 3.542 3.764 . 0 0 "[ . 1 . 2]" 1
649 1 36 ARG HB2 1 36 ARG HE . . 5.500 4.421 3.722 5.131 . 0 0 "[ . 1 . 2]" 1
650 1 36 ARG HB2 1 37 TYR H . . 4.710 3.147 2.757 3.479 . 0 0 "[ . 1 . 2]" 1
651 1 36 ARG HB2 1 37 TYR QE . . 4.980 4.085 3.361 4.799 . 0 0 "[ . 1 . 2]" 1
652 1 36 ARG HB3 1 36 ARG HD2 . . 3.760 2.566 2.297 3.026 . 0 0 "[ . 1 . 2]" 1
653 1 36 ARG HB3 1 36 ARG HD3 . . 4.180 3.606 3.225 3.873 . 0 0 "[ . 1 . 2]" 1
654 1 36 ARG HB3 1 37 TYR H . . 5.500 4.146 3.785 4.409 . 0 0 "[ . 1 . 2]" 1
655 1 36 ARG HG2 1 37 TYR H . . 4.860 4.435 4.308 4.593 . 0 0 "[ . 1 . 2]" 1
656 1 37 TYR H 1 37 TYR QB . . 3.150 2.460 2.325 2.539 . 0 0 "[ . 1 . 2]" 1
657 1 37 TYR HA 1 38 PRO HD2 . . 3.920 2.770 2.599 3.040 . 0 0 "[ . 1 . 2]" 1
658 1 37 TYR HA 1 38 PRO HD3 . . 3.240 2.410 2.195 2.542 . 0 0 "[ . 1 . 2]" 1
659 1 37 TYR QB 1 38 PRO HB2 . . 5.200 5.284 5.221 5.313 0.113 1 0 "[ . 1 . 2]" 1
660 1 37 TYR QB 1 38 PRO HG3 . . 4.800 4.691 4.546 4.815 0.015 4 0 "[ . 1 . 2]" 1
661 1 37 TYR QB 1 86 ILE QG . . 5.180 4.905 4.400 5.294 0.114 14 0 "[ . 1 . 2]" 1
662 1 37 TYR QB 1 86 ILE MG . . 4.230 3.758 3.262 4.329 0.099 12 0 "[ . 1 . 2]" 1
663 1 37 TYR QB 1 89 VAL QG . . 3.220 2.154 1.940 2.468 . 0 0 "[ . 1 . 2]" 1
664 1 37 TYR QD 1 38 PRO HD2 . . 5.500 3.854 3.444 4.232 . 0 0 "[ . 1 . 2]" 1
665 1 37 TYR QD 1 38 PRO HD3 . . 5.500 3.962 3.544 4.321 . 0 0 "[ . 1 . 2]" 1
666 1 37 TYR QD 1 89 VAL QG . . 4.590 2.375 2.079 2.680 . 0 0 "[ . 1 . 2]" 1
667 1 37 TYR QE 1 85 MET HB2 . . 5.040 3.972 3.495 4.663 . 0 0 "[ . 1 . 2]" 1
668 1 37 TYR QE 1 85 MET ME . . 5.500 5.593 5.493 5.627 0.127 5 0 "[ . 1 . 2]" 1
669 1 37 TYR QE 1 89 VAL QG . . 5.500 2.660 2.330 2.931 . 0 0 "[ . 1 . 2]" 1
670 1 38 PRO HA 1 39 ASN H . . 2.870 2.582 2.362 2.736 . 0 0 "[ . 1 . 2]" 1
671 1 38 PRO HA 1 39 ASN QB . . 4.800 4.445 3.716 4.660 . 0 0 "[ . 1 . 2]" 1
672 1 38 PRO HA 1 40 GLN H . . 4.580 4.018 3.791 4.236 . 0 0 "[ . 1 . 2]" 1
673 1 38 PRO HB2 1 39 ASN H . . 4.500 2.405 2.198 2.690 . 0 0 "[ . 1 . 2]" 1
674 1 38 PRO HB2 1 40 GLN H . . 3.950 2.137 1.820 2.442 . 0 0 "[ . 1 . 2]" 1
675 1 38 PRO HB3 1 39 ASN H . . 4.130 3.380 3.177 3.568 . 0 0 "[ . 1 . 2]" 1
676 1 38 PRO HB3 1 40 GLN H . . 4.280 3.725 3.339 3.999 . 0 0 "[ . 1 . 2]" 1
677 1 38 PRO HD2 1 41 VAL QG . . 4.710 4.699 4.596 4.745 0.035 16 0 "[ . 1 . 2]" 1
678 1 38 PRO HD2 1 67 HIS HD2 . . 5.500 5.451 5.148 5.580 0.080 11 0 "[ . 1 . 2]" 1
679 1 38 PRO HD3 1 41 VAL QG . . 5.500 5.442 5.229 5.509 0.009 16 0 "[ . 1 . 2]" 1
680 1 38 PRO HD3 1 67 HIS HD2 . . 4.840 4.202 3.822 4.825 . 0 0 "[ . 1 . 2]" 1
681 1 38 PRO HD3 1 86 ILE MG . . 4.670 3.638 3.227 4.453 . 0 0 "[ . 1 . 2]" 1
682 1 38 PRO HG2 1 41 VAL QG . . 3.700 3.254 3.040 3.579 . 0 0 "[ . 1 . 2]" 1
683 1 38 PRO HG3 1 41 VAL QG . . 4.420 3.997 3.683 4.312 . 0 0 "[ . 1 . 2]" 1
684 1 38 PRO HG3 1 67 HIS HD2 . . 5.260 3.478 2.906 4.368 . 0 0 "[ . 1 . 2]" 1
685 1 38 PRO HG3 1 86 ILE MG . . 5.430 4.569 4.131 5.272 . 0 0 "[ . 1 . 2]" 1
686 1 39 ASN H 1 39 ASN QB . . 3.670 2.802 2.237 3.173 . 0 0 "[ . 1 . 2]" 1
687 1 39 ASN H 1 40 GLN H . . 3.020 1.978 1.737 2.270 . 0 0 "[ . 1 . 2]" 1
688 1 39 ASN H 1 40 GLN HA . . 5.500 4.696 4.529 4.930 . 0 0 "[ . 1 . 2]" 1
689 1 39 ASN H 1 40 GLN HB3 . . 5.500 5.521 5.420 5.575 0.075 1 0 "[ . 1 . 2]" 1
690 1 39 ASN H 1 40 GLN HG2 . . 5.200 5.277 5.120 5.543 0.343 3 0 "[ . 1 . 2]" 1
691 1 39 ASN H 1 40 GLN HG3 . . 5.470 3.724 3.433 4.047 . 0 0 "[ . 1 . 2]" 1
692 1 39 ASN HA 1 93 MET ME . . 3.680 3.353 2.815 3.732 0.052 18 0 "[ . 1 . 2]" 1
693 1 39 ASN QB 1 40 GLN H . . 4.310 3.630 2.985 3.956 . 0 0 "[ . 1 . 2]" 1
694 1 39 ASN QB 1 93 MET ME . . 5.500 4.727 4.448 4.986 . 0 0 "[ . 1 . 2]" 1
695 1 40 GLN H 1 40 GLN HB2 . . 3.350 2.627 2.524 2.762 . 0 0 "[ . 1 . 2]" 1
696 1 40 GLN H 1 40 GLN HG2 . . 3.990 4.045 3.818 4.142 0.152 3 0 "[ . 1 . 2]" 1
697 1 40 GLN H 1 40 GLN HG3 . . 4.060 2.851 2.622 3.085 . 0 0 "[ . 1 . 2]" 1
698 1 40 GLN H 1 41 VAL H . . 5.420 4.337 4.250 4.442 . 0 0 "[ . 1 . 2]" 1
699 1 40 GLN H 1 41 VAL QG . . 4.710 4.199 3.867 4.649 . 0 0 "[ . 1 . 2]" 1
700 1 40 GLN H 1 93 MET ME . . 3.850 3.656 3.292 3.939 0.089 15 0 "[ . 1 . 2]" 1
701 1 40 GLN HA 1 41 VAL HB . . 5.500 5.199 3.801 5.584 0.084 18 0 "[ . 1 . 2]" 1
702 1 40 GLN HA 1 41 VAL QG . . 4.640 3.279 2.778 4.190 . 0 0 "[ . 1 . 2]" 1
703 1 40 GLN HA 1 93 MET ME . . 4.560 4.236 3.645 4.605 0.045 20 0 "[ . 1 . 2]" 1
704 1 40 GLN HB2 1 40 GLN HE21 . . 3.900 3.689 2.623 3.990 0.090 9 0 "[ . 1 . 2]" 1
705 1 40 GLN HB2 1 40 GLN HE22 . . 4.470 4.162 3.760 4.469 . 0 0 "[ . 1 . 2]" 1
706 1 40 GLN HB2 1 40 GLN HG2 . . 2.990 2.968 2.746 3.024 0.034 6 0 "[ . 1 . 2]" 1
707 1 40 GLN HB2 1 41 VAL H . . 3.940 3.304 2.911 3.654 . 0 0 "[ . 1 . 2]" 1
708 1 40 GLN HB3 1 40 GLN HE21 . . 4.420 3.406 2.777 3.918 . 0 0 "[ . 1 . 2]" 1
709 1 40 GLN HB3 1 40 GLN HE22 . . 5.180 4.335 3.943 4.770 . 0 0 "[ . 1 . 2]" 1
710 1 40 GLN HB3 1 41 VAL H . . 4.040 2.244 2.041 2.536 . 0 0 "[ . 1 . 2]" 1
711 1 40 GLN HE21 1 40 GLN HG3 . . 3.650 3.223 2.410 3.502 . 0 0 "[ . 1 . 2]" 1
712 1 40 GLN HE22 1 40 GLN HG3 . . 4.060 3.957 3.598 4.123 0.063 12 0 "[ . 1 . 2]" 1
713 1 40 GLN HG2 1 41 VAL H . . 4.370 4.059 3.786 4.441 0.071 18 0 "[ . 1 . 2]" 1
714 1 40 GLN HG3 1 41 VAL H . . 4.560 4.627 4.460 4.653 0.093 7 0 "[ . 1 . 2]" 1
715 1 41 VAL H 1 41 VAL QG . . 3.120 2.538 2.297 3.067 . 0 0 "[ . 1 . 2]" 1
716 1 41 VAL H 1 42 TYR H . . 4.510 4.240 3.952 4.427 . 0 0 "[ . 1 . 2]" 1
717 1 41 VAL HA 1 42 TYR H . . 3.090 2.275 2.134 2.379 . 0 0 "[ . 1 . 2]" 1
718 1 41 VAL HA 1 63 THR MG . . 3.210 2.306 2.101 2.734 . 0 0 "[ . 1 . 2]" 1
719 1 41 VAL HB 1 42 TYR H . . 3.680 3.010 2.419 3.785 0.105 9 0 "[ . 1 . 2]" 1
720 1 41 VAL HB 1 43 TYR QD . . 5.500 5.264 4.515 5.588 0.088 6 0 "[ . 1 . 2]" 1
721 1 41 VAL HB 1 63 THR HB . . 5.500 4.785 4.110 5.576 0.076 10 0 "[ . 1 . 2]" 1
722 1 41 VAL HB 1 63 THR HG1 . . 4.220 3.619 3.220 4.310 0.090 6 0 "[ . 1 . 2]" 1
723 1 41 VAL HB 1 63 THR MG . . 4.120 3.737 2.816 4.194 0.074 7 0 "[ . 1 . 2]" 1
724 1 41 VAL QG 1 42 TYR H . . 3.520 3.081 2.352 3.460 . 0 0 "[ . 1 . 2]" 1
725 1 41 VAL QG 1 42 TYR QE . . 5.500 5.223 4.905 5.384 . 0 0 "[ . 1 . 2]" 1
726 1 41 VAL QG 1 43 TYR QD . . 4.620 3.809 3.068 4.293 . 0 0 "[ . 1 . 2]" 1
727 1 41 VAL QG 1 63 THR HB . . 3.720 3.094 2.619 3.709 . 0 0 "[ . 1 . 2]" 1
728 1 41 VAL QG 1 63 THR HG1 . . 4.530 2.931 1.802 3.767 . 0 0 "[ . 1 . 2]" 1
729 1 41 VAL QG 1 63 THR MG . . 3.040 2.022 1.933 2.077 . 0 0 "[ . 1 . 2]" 1
730 1 41 VAL QG 1 90 VAL HA . . 3.630 2.739 2.508 3.037 . 0 0 "[ . 1 . 2]" 1
731 1 41 VAL QG 1 90 VAL QG . . 4.300 2.029 1.909 2.392 . 0 0 "[ . 1 . 2]" 1
732 1 41 VAL QG 1 93 MET H . . 4.570 3.985 3.808 4.342 . 0 0 "[ . 1 . 2]" 1
733 1 41 VAL QG 1 93 MET QB . . 3.450 2.061 1.851 2.376 . 0 0 "[ . 1 . 2]" 1
734 1 41 VAL QG 1 93 MET ME . . 3.020 2.093 1.971 2.308 . 0 0 "[ . 1 . 2]" 1
735 1 41 VAL QG 1 94 CYS H . . 3.750 2.847 2.697 2.991 . 0 0 "[ . 1 . 2]" 1
736 1 41 VAL QG 1 94 CYS HA . . 3.760 2.170 1.932 2.914 . 0 0 "[ . 1 . 2]" 1
737 1 41 VAL QG 1 97 GLN H . . 3.900 3.615 3.232 3.855 . 0 0 "[ . 1 . 2]" 1
738 1 41 VAL QG 1 97 GLN HA . . 4.500 4.357 4.021 4.553 0.053 12 0 "[ . 1 . 2]" 1
739 1 41 VAL QG 1 97 GLN HB2 . . 4.310 2.410 2.068 3.567 . 0 0 "[ . 1 . 2]" 1
740 1 41 VAL QG 1 97 GLN HB3 . . 3.800 2.941 2.440 4.111 0.311 4 0 "[ . 1 . 2]" 1
741 1 41 VAL QG 1 97 GLN HG2 . . 3.520 2.577 2.101 3.839 0.319 6 0 "[ . 1 . 2]" 1
742 1 42 TYR H 1 42 TYR HB2 . . 3.070 2.476 2.249 2.761 . 0 0 "[ . 1 . 2]" 1
743 1 42 TYR H 1 42 TYR HB3 . . 3.650 3.644 3.490 3.726 0.076 10 0 "[ . 1 . 2]" 1
744 1 42 TYR H 1 42 TYR QD . . 3.550 2.299 2.085 2.615 . 0 0 "[ . 1 . 2]" 1
745 1 42 TYR H 1 42 TYR QE . . 4.330 4.359 3.976 4.433 0.103 10 0 "[ . 1 . 2]" 1
746 1 42 TYR H 1 43 TYR H . . 5.500 4.646 4.553 4.802 . 0 0 "[ . 1 . 2]" 1
747 1 42 TYR H 1 63 THR HG1 . . 3.600 2.576 2.144 2.903 . 0 0 "[ . 1 . 2]" 1
748 1 42 TYR H 1 63 THR MG . . 3.850 3.206 2.842 3.635 . 0 0 "[ . 1 . 2]" 1
749 1 42 TYR HA 1 42 TYR QD . . 4.480 3.067 2.739 3.281 . 0 0 "[ . 1 . 2]" 1
750 1 42 TYR HA 1 43 TYR H . . 2.920 2.402 2.265 2.563 . 0 0 "[ . 1 . 2]" 1
751 1 42 TYR HB2 1 62 ILE HB . . 4.510 3.267 2.839 3.780 . 0 0 "[ . 1 . 2]" 1
752 1 42 TYR HB2 1 62 ILE MG . . 3.540 2.298 2.124 2.603 . 0 0 "[ . 1 . 2]" 1
753 1 42 TYR HB3 1 43 TYR H . . 3.970 2.959 2.536 3.305 . 0 0 "[ . 1 . 2]" 1
754 1 42 TYR HB3 1 43 TYR QD . . 5.500 5.111 4.520 5.574 0.074 16 0 "[ . 1 . 2]" 1
755 1 42 TYR HB3 1 62 ILE HB . . 4.860 4.335 3.618 4.914 0.054 14 0 "[ . 1 . 2]" 1
756 1 42 TYR HB3 1 62 ILE MG . . 3.930 2.798 2.385 3.094 . 0 0 "[ . 1 . 2]" 1
757 1 42 TYR QD 1 43 TYR H . . 4.690 4.199 3.874 4.599 . 0 0 "[ . 1 . 2]" 1
758 1 42 TYR QD 1 62 ILE HB . . 5.500 4.534 3.705 5.195 . 0 0 "[ . 1 . 2]" 1
759 1 42 TYR QD 1 63 THR H . . 5.400 4.209 3.535 4.546 . 0 0 "[ . 1 . 2]" 1
760 1 42 TYR QD 1 63 THR HA . . 2.950 2.541 2.142 2.964 0.014 15 0 "[ . 1 . 2]" 1
761 1 42 TYR QD 1 63 THR MG . . 4.370 2.706 2.218 3.521 . 0 0 "[ . 1 . 2]" 1
762 1 42 TYR QE 1 63 THR HA . . 3.610 3.086 2.336 3.681 0.071 12 0 "[ . 1 . 2]" 1
763 1 42 TYR QE 1 63 THR MG . . 4.660 3.022 2.445 3.523 . 0 0 "[ . 1 . 2]" 1
764 1 42 TYR QE 1 66 GLN HB2 . . 5.500 3.915 3.176 4.682 . 0 0 "[ . 1 . 2]" 1
765 1 42 TYR QE 1 66 GLN HB3 . . 5.500 4.776 4.050 5.594 0.094 5 0 "[ . 1 . 2]" 1
766 1 43 TYR H 1 43 TYR QD . . 3.320 2.729 2.354 3.104 . 0 0 "[ . 1 . 2]" 1
767 1 43 TYR H 1 43 TYR QE . . 5.500 4.476 4.314 4.797 . 0 0 "[ . 1 . 2]" 1
768 1 43 TYR H 1 44 ARG H . . 5.000 4.249 4.178 4.359 . 0 0 "[ . 1 . 2]" 1
769 1 43 TYR H 1 44 ARG HG3 . . 4.500 4.584 4.576 4.591 0.091 5 0 "[ . 1 . 2]" 1
770 1 43 TYR HA 1 44 ARG H . . 2.860 2.374 2.187 2.512 . 0 0 "[ . 1 . 2]" 1
771 1 43 TYR HA 1 44 ARG QD . . 4.280 3.521 2.836 4.163 . 0 0 "[ . 1 . 2]" 1
772 1 43 TYR HB2 1 44 ARG H . . 3.900 2.712 2.368 3.032 . 0 0 "[ . 1 . 2]" 1
773 1 43 TYR HB2 1 55 PHE QE . . 5.310 2.762 2.322 3.474 . 0 0 "[ . 1 . 2]" 1
774 1 43 TYR HB3 1 44 ARG H . . 5.500 4.021 3.777 4.187 . 0 0 "[ . 1 . 2]" 1
775 1 43 TYR QD 1 44 ARG HB2 . . 5.500 5.525 5.315 5.597 0.097 8 0 "[ . 1 . 2]" 1
776 1 43 TYR QD 1 45 PRO HA . . 5.500 3.980 3.531 4.466 . 0 0 "[ . 1 . 2]" 1
777 1 43 TYR QD 1 55 PHE QE . . 4.680 4.335 3.990 4.776 0.096 4 0 "[ . 1 . 2]" 1
778 1 43 TYR QD 1 97 GLN HB3 . . 4.560 4.137 3.076 4.568 0.008 6 0 "[ . 1 . 2]" 1
779 1 43 TYR QD 1 97 GLN HE21 . . 3.460 3.487 2.857 4.113 0.653 6 2 "[ .+ - . 2]" 1
780 1 43 TYR QE 1 45 PRO HA . . 4.650 4.192 3.405 4.719 0.069 13 0 "[ . 1 . 2]" 1
781 1 43 TYR QE 1 97 GLN HB3 . . 5.420 5.196 3.931 5.505 0.085 20 0 "[ . 1 . 2]" 1
782 1 43 TYR QE 1 97 GLN HE21 . . 3.580 2.772 2.045 4.050 0.470 10 0 "[ . 1 . 2]" 1
783 1 43 TYR QE 1 97 GLN HG3 . . 5.310 3.615 3.035 5.236 . 0 0 "[ . 1 . 2]" 1
784 1 43 TYR QE 1 100 LYS HB2 . . 5.500 4.598 3.489 5.295 . 0 0 "[ . 1 . 2]" 1
785 1 43 TYR QE 1 101 GLU H . . 5.500 5.380 4.840 5.585 0.085 12 0 "[ . 1 . 2]" 1
786 1 43 TYR QE 1 101 GLU HA . . 5.500 5.553 5.413 5.595 0.095 1 0 "[ . 1 . 2]" 1
787 1 43 TYR QE 1 101 GLU HB3 . . 5.500 4.625 3.341 5.218 . 0 0 "[ . 1 . 2]" 1
788 1 43 TYR QE 1 101 GLU HG3 . . 5.500 2.914 2.204 4.889 . 0 0 "[ . 1 . 2]" 1
789 1 44 ARG H 1 44 ARG HB3 . . 3.640 3.709 3.619 3.724 0.084 13 0 "[ . 1 . 2]" 1
790 1 44 ARG H 1 44 ARG QD . . 3.610 2.275 1.808 3.158 . 0 0 "[ . 1 . 2]" 1
791 1 44 ARG H 1 44 ARG HG2 . . 5.410 3.924 3.747 4.053 . 0 0 "[ . 1 . 2]" 1
792 1 44 ARG H 1 44 ARG HG3 . . 5.500 2.643 2.426 2.795 . 0 0 "[ . 1 . 2]" 1
793 1 44 ARG HA 1 44 ARG HG3 . . 4.170 3.180 2.899 3.411 . 0 0 "[ . 1 . 2]" 1
794 1 44 ARG HA 1 45 PRO HD2 . . 3.310 2.861 2.615 3.341 0.031 2 0 "[ . 1 . 2]" 1
795 1 44 ARG HA 1 45 PRO HD3 . . 3.130 2.520 2.106 2.869 . 0 0 "[ . 1 . 2]" 1
796 1 44 ARG HB2 1 44 ARG QD . . 3.750 2.427 2.096 2.905 . 0 0 "[ . 1 . 2]" 1
797 1 44 ARG HB2 1 45 PRO HD2 . . 4.460 2.482 2.140 3.032 . 0 0 "[ . 1 . 2]" 1
798 1 44 ARG HB2 1 45 PRO HD3 . . 4.490 3.709 3.160 4.314 . 0 0 "[ . 1 . 2]" 1
799 1 44 ARG HB2 1 49 TYR QD . . 5.500 4.044 3.166 4.616 . 0 0 "[ . 1 . 2]" 1
800 1 44 ARG HB3 1 44 ARG QD . . 3.900 3.382 3.203 3.570 . 0 0 "[ . 1 . 2]" 1
801 1 44 ARG HB3 1 45 PRO HD2 . . 3.950 2.361 2.022 2.923 . 0 0 "[ . 1 . 2]" 1
802 1 44 ARG HB3 1 45 PRO HD3 . . 5.370 3.278 2.661 3.535 . 0 0 "[ . 1 . 2]" 1
803 1 44 ARG HB3 1 49 TYR QD . . 5.500 5.345 4.599 5.590 0.090 12 0 "[ . 1 . 2]" 1
804 1 44 ARG HB3 1 49 TYR QE . . 5.500 4.453 3.378 5.575 0.075 15 0 "[ . 1 . 2]" 1
805 1 44 ARG HG2 1 45 PRO HD3 . . 5.500 5.417 4.877 5.572 0.072 13 0 "[ . 1 . 2]" 1
806 1 45 PRO HA 1 46 VAL H . . 3.280 2.504 2.179 2.798 . 0 0 "[ . 1 . 2]" 1
807 1 45 PRO HB2 1 46 VAL H . . 4.070 2.718 2.057 3.603 . 0 0 "[ . 1 . 2]" 1
808 1 45 PRO HB2 1 46 VAL QG . . 5.500 3.922 3.298 4.578 . 0 0 "[ . 1 . 2]" 1
809 1 45 PRO HB3 1 47 ASP H . . 4.970 4.084 2.538 5.510 0.540 1 1 "[+ . 1 . 2]" 1
810 1 45 PRO HD2 1 49 TYR QD . . 5.500 4.691 3.860 5.382 . 0 0 "[ . 1 . 2]" 1
811 1 46 VAL H 1 46 VAL HB . . 3.880 3.528 2.928 3.742 . 0 0 "[ . 1 . 2]" 1
812 1 46 VAL H 1 46 VAL QG . . 4.040 1.933 1.733 2.114 . 0 0 "[ . 1 . 2]" 1
813 1 46 VAL H 1 47 ASP H . . 4.560 2.522 2.263 2.965 . 0 0 "[ . 1 . 2]" 1
814 1 46 VAL HA 1 49 TYR QD . . 4.110 3.362 2.573 4.211 0.101 1 0 "[ . 1 . 2]" 1
815 1 46 VAL HA 1 49 TYR QE . . 5.500 5.225 4.556 5.605 0.105 16 0 "[ . 1 . 2]" 1
816 1 46 VAL HB 1 105 TYR QD . . 5.500 3.829 2.758 4.636 . 0 0 "[ . 1 . 2]" 1
817 1 46 VAL HB 1 105 TYR QE . . 5.500 4.602 3.523 5.393 . 0 0 "[ . 1 . 2]" 1
818 1 46 VAL QG 1 47 ASP H . . 4.370 2.976 1.919 3.756 . 0 0 "[ . 1 . 2]" 1
819 1 46 VAL QG 1 98 TYR QD . . 4.130 2.289 2.000 2.907 . 0 0 "[ . 1 . 2]" 1
820 1 46 VAL QG 1 98 TYR QE . . 3.620 2.194 1.914 2.578 . 0 0 "[ . 1 . 2]" 1
821 1 46 VAL QG 1 101 GLU HA . . 4.490 3.865 3.509 4.304 . 0 0 "[ . 1 . 2]" 1
822 1 46 VAL QG 1 101 GLU HB2 . . 3.630 2.526 2.227 3.041 . 0 0 "[ . 1 . 2]" 1
823 1 46 VAL QG 1 101 GLU HB3 . . 3.490 2.416 2.002 3.458 . 0 0 "[ . 1 . 2]" 1
824 1 46 VAL QG 1 102 TYR HA . . 3.450 3.027 2.693 3.333 . 0 0 "[ . 1 . 2]" 1
825 1 46 VAL QG 1 105 TYR H . . 5.090 3.864 3.424 4.344 . 0 0 "[ . 1 . 2]" 1
826 1 46 VAL QG 1 105 TYR HB2 . . 3.700 2.162 1.932 2.891 . 0 0 "[ . 1 . 2]" 1
827 1 46 VAL QG 1 105 TYR HB3 . . 3.920 2.701 2.402 3.054 . 0 0 "[ . 1 . 2]" 1
828 1 46 VAL QG 1 105 TYR QD . . 4.080 2.967 2.404 3.561 . 0 0 "[ . 1 . 2]" 1
829 1 46 VAL QG 1 105 TYR QE . . 5.500 3.980 3.272 4.660 . 0 0 "[ . 1 . 2]" 1
830 1 47 ASP H 1 48 GLN H . . 3.340 3.026 2.518 3.229 . 0 0 "[ . 1 . 2]" 1
831 1 47 ASP H 1 48 GLN HA . . 5.500 5.397 4.686 5.584 0.084 5 0 "[ . 1 . 2]" 1
832 1 47 ASP H 1 48 GLN HB2 . . 5.500 5.445 5.161 5.581 0.081 15 0 "[ . 1 . 2]" 1
833 1 47 ASP H 1 48 GLN HB3 . . 5.500 5.553 5.400 5.591 0.091 1 0 "[ . 1 . 2]" 1
834 1 47 ASP H 1 49 TYR HB2 . . 5.500 4.670 3.754 5.590 0.090 7 0 "[ . 1 . 2]" 1
835 1 47 ASP H 1 49 TYR QD . . 5.500 3.456 2.259 5.508 0.008 7 0 "[ . 1 . 2]" 1
836 1 47 ASP QB 1 49 TYR H . . 5.500 4.353 3.723 4.849 . 0 0 "[ . 1 . 2]" 1
837 1 47 ASP QB 1 49 TYR QD . . 3.500 3.165 2.376 3.479 . 0 0 "[ . 1 . 2]" 1
838 1 47 ASP QB 1 49 TYR QE . . 3.320 2.748 2.194 3.272 . 0 0 "[ . 1 . 2]" 1
839 1 48 GLN H 1 48 GLN HB3 . . 4.140 2.903 2.467 3.551 . 0 0 "[ . 1 . 2]" 1
840 1 48 GLN H 1 48 GLN QG . . 4.320 4.151 3.883 4.425 0.105 17 0 "[ . 1 . 2]" 1
841 1 48 GLN H 1 49 TYR H . . 3.160 2.644 1.995 3.228 0.068 12 0 "[ . 1 . 2]" 1
842 1 48 GLN H 1 49 TYR HA . . 5.500 4.810 4.116 5.466 . 0 0 "[ . 1 . 2]" 1
843 1 48 GLN H 1 49 TYR QE . . 5.300 3.638 2.574 5.402 0.102 17 0 "[ . 1 . 2]" 1
844 1 48 GLN HA 1 49 TYR QD . . 4.510 4.558 4.341 4.618 0.108 16 0 "[ . 1 . 2]" 1
845 1 48 GLN HB2 1 49 TYR H . . 5.500 4.497 4.227 4.636 . 0 0 "[ . 1 . 2]" 1
846 1 48 GLN HB3 1 49 TYR H . . 5.150 4.167 3.474 4.593 . 0 0 "[ . 1 . 2]" 1
847 1 48 GLN QG 1 49 TYR H . . 4.460 4.434 3.821 4.558 0.098 9 0 "[ . 1 . 2]" 1
848 1 49 TYR H 1 49 TYR HB2 . . 3.440 2.561 2.093 2.950 . 0 0 "[ . 1 . 2]" 1
849 1 49 TYR H 1 49 TYR QD . . 3.860 3.032 2.503 3.716 . 0 0 "[ . 1 . 2]" 1
850 1 49 TYR H 1 50 SER H . . 5.500 3.389 2.488 4.421 . 0 0 "[ . 1 . 2]" 1
851 1 49 TYR H 1 50 SER HB2 . . 5.500 5.050 4.114 5.580 0.080 7 0 "[ . 1 . 2]" 1
852 1 49 TYR H 1 50 SER HB3 . . 5.500 5.511 4.990 5.586 0.086 16 0 "[ . 1 . 2]" 1
853 1 50 SER H 1 51 ASN QB . . 5.500 5.247 4.447 5.385 . 0 0 "[ . 1 . 2]" 1
854 1 51 ASN HA 1 52 GLN H . . 3.300 2.469 2.154 2.870 . 0 0 "[ . 1 . 2]" 1
855 1 51 ASN HA 1 54 SER H . . 5.500 5.224 4.499 5.579 0.079 2 0 "[ . 1 . 2]" 1
856 1 51 ASN QB 1 52 GLN H . . 3.690 2.441 1.930 2.947 . 0 0 "[ . 1 . 2]" 1
857 1 51 ASN QB 1 52 GLN QB . . 4.700 4.069 3.702 4.392 . 0 0 "[ . 1 . 2]" 1
858 1 51 ASN QB 1 53 ASN H . . 4.200 2.353 1.783 3.069 . 0 0 "[ . 1 . 2]" 1
859 1 51 ASN QB 1 53 ASN HB2 . . 3.610 3.229 2.428 4.048 0.438 8 0 "[ . 1 . 2]" 1
860 1 51 ASN QB 1 53 ASN HB3 . . 5.500 3.186 2.572 3.908 . 0 0 "[ . 1 . 2]" 1
861 1 51 ASN QB 1 54 SER H . . 3.970 2.970 2.637 3.213 . 0 0 "[ . 1 . 2]" 1
862 1 52 GLN H 1 52 GLN QB . . 3.470 2.340 2.131 2.730 . 0 0 "[ . 1 . 2]" 1
863 1 52 GLN H 1 53 ASN H . . 2.400 2.402 1.811 2.493 0.093 11 0 "[ . 1 . 2]" 1
864 1 52 GLN H 1 53 ASN HA . . 5.130 4.945 4.388 5.166 0.036 16 0 "[ . 1 . 2]" 1
865 1 52 GLN H 1 53 ASN HB2 . . 4.590 4.379 3.522 4.742 0.152 7 0 "[ . 1 . 2]" 1
866 1 52 GLN HA 1 53 ASN H . . 3.600 3.517 3.399 3.649 0.049 6 0 "[ . 1 . 2]" 1
867 1 52 GLN HA 1 55 PHE QD . . 3.700 2.452 2.015 3.411 . 0 0 "[ . 1 . 2]" 1
868 1 52 GLN QB 1 53 ASN H . . 3.780 2.843 2.518 3.459 . 0 0 "[ . 1 . 2]" 1
869 1 52 GLN QB 1 54 SER H . . 5.500 5.024 4.669 5.274 . 0 0 "[ . 1 . 2]" 1
870 1 52 GLN QB 1 55 PHE H . . 5.500 4.728 4.303 5.257 . 0 0 "[ . 1 . 2]" 1
871 1 52 GLN QB 1 55 PHE QD . . 5.500 3.394 2.573 4.246 . 0 0 "[ . 1 . 2]" 1
872 1 52 GLN QB 1 98 TYR QE . . 5.500 4.053 2.772 4.751 . 0 0 "[ . 1 . 2]" 1
873 1 52 GLN QE 1 56 VAL MG2 . . 4.330 2.560 1.832 3.264 . 0 0 "[ . 1 . 2]" 1
874 1 52 GLN QE 1 95 ILE MD . . 4.380 3.353 2.932 3.701 . 0 0 "[ . 1 . 2]" 1
875 1 52 GLN QE 1 95 ILE HG12 . . 4.770 2.115 1.841 2.401 . 0 0 "[ . 1 . 2]" 1
876 1 52 GLN QE 1 95 ILE HG13 . . 3.630 3.418 3.084 3.595 . 0 0 "[ . 1 . 2]" 1
877 1 52 GLN QE 1 95 ILE MG . . 3.450 2.324 1.838 2.795 . 0 0 "[ . 1 . 2]" 1
878 1 52 GLN QE 1 98 TYR QD . . 3.980 3.406 2.698 3.972 . 0 0 "[ . 1 . 2]" 1
879 1 52 GLN QE 1 98 TYR QE . . 3.920 2.843 2.290 3.485 . 0 0 "[ . 1 . 2]" 1
880 1 52 GLN QG 1 53 ASN H . . 4.570 3.789 2.115 4.320 . 0 0 "[ . 1 . 2]" 1
881 1 52 GLN QG 1 55 PHE QD . . 5.500 3.221 2.166 4.872 . 0 0 "[ . 1 . 2]" 1
882 1 53 ASN H 1 53 ASN HB2 . . 3.310 2.252 2.055 2.518 . 0 0 "[ . 1 . 2]" 1
883 1 53 ASN H 1 53 ASN HB3 . . 3.090 2.885 2.292 3.160 0.070 13 0 "[ . 1 . 2]" 1
884 1 53 ASN H 1 53 ASN HD21 . . 4.060 3.961 3.407 4.154 0.094 18 0 "[ . 1 . 2]" 1
885 1 53 ASN H 1 53 ASN HD22 . . 5.500 5.382 4.981 5.561 0.061 6 0 "[ . 1 . 2]" 1
886 1 53 ASN H 1 54 SER H . . 3.260 3.029 2.782 3.253 . 0 0 "[ . 1 . 2]" 1
887 1 53 ASN H 1 56 VAL MG2 . . 5.500 4.780 4.212 5.535 0.035 5 0 "[ . 1 . 2]" 1
888 1 53 ASN HA 1 53 ASN HD21 . . 3.680 2.626 1.675 3.760 0.080 1 0 "[ . 1 . 2]" 1
889 1 53 ASN HA 1 53 ASN HD22 . . 4.880 3.630 3.241 4.509 . 0 0 "[ . 1 . 2]" 1
890 1 53 ASN HA 1 56 VAL H . . 5.230 3.865 3.290 4.184 . 0 0 "[ . 1 . 2]" 1
891 1 53 ASN HA 1 56 VAL HB . . 3.360 3.389 2.973 3.447 0.087 14 0 "[ . 1 . 2]" 1
892 1 53 ASN HA 1 56 VAL MG2 . . 4.760 4.149 3.571 4.717 . 0 0 "[ . 1 . 2]" 1
893 1 53 ASN HB2 1 54 SER H . . 5.030 3.735 3.297 4.089 . 0 0 "[ . 1 . 2]" 1
894 1 53 ASN HB3 1 53 ASN HD21 . . 3.520 3.462 2.306 3.645 0.125 17 0 "[ . 1 . 2]" 1
895 1 53 ASN HB3 1 54 SER H . . 4.010 2.709 2.246 3.353 . 0 0 "[ . 1 . 2]" 1
896 1 54 SER H 1 54 SER HB3 . . 4.070 3.261 2.542 3.764 . 0 0 "[ . 1 . 2]" 1
897 1 55 PHE H 1 58 ASP H . . 5.500 4.238 3.912 4.664 . 0 0 "[ . 1 . 2]" 1
898 1 55 PHE HA 1 58 ASP H . . 5.500 3.609 3.117 3.955 . 0 0 "[ . 1 . 2]" 1
899 1 55 PHE HA 1 59 CYS H . . 3.950 4.013 3.946 4.032 0.082 14 0 "[ . 1 . 2]" 1
900 1 55 PHE HB3 1 56 VAL H . . 4.000 2.796 2.429 3.462 . 0 0 "[ . 1 . 2]" 1
901 1 55 PHE QD 1 56 VAL HB . . 5.300 4.568 4.054 5.038 . 0 0 "[ . 1 . 2]" 1
902 1 55 PHE QE 1 98 TYR H . . 4.820 4.227 3.727 4.784 . 0 0 "[ . 1 . 2]" 1
903 1 55 PHE QE 1 98 TYR HB2 . . 5.500 2.598 2.221 2.966 . 0 0 "[ . 1 . 2]" 1
904 1 55 PHE QE 1 98 TYR HB3 . . 5.500 2.495 2.165 2.913 . 0 0 "[ . 1 . 2]" 1
905 1 55 PHE HZ 1 56 VAL HA . . 4.660 4.652 4.384 4.745 0.085 17 0 "[ . 1 . 2]" 1
906 1 56 VAL H 1 56 VAL HB . . 3.360 2.376 2.183 2.561 . 0 0 "[ . 1 . 2]" 1
907 1 56 VAL H 1 56 VAL MG1 . . 3.850 3.743 3.665 3.818 . 0 0 "[ . 1 . 2]" 1
908 1 56 VAL H 1 56 VAL MG2 . . 4.670 2.219 2.021 2.519 . 0 0 "[ . 1 . 2]" 1
909 1 56 VAL H 1 57 HIS H . . 3.950 2.942 2.733 3.072 . 0 0 "[ . 1 . 2]" 1
910 1 56 VAL HA 1 56 VAL MG1 . . 3.050 2.571 2.456 2.728 . 0 0 "[ . 1 . 2]" 1
911 1 56 VAL HA 1 59 CYS H . . 4.290 3.301 3.078 3.476 . 0 0 "[ . 1 . 2]" 1
912 1 56 VAL HA 1 59 CYS HB2 . . 3.660 2.805 2.341 3.343 . 0 0 "[ . 1 . 2]" 1
913 1 56 VAL HA 1 59 CYS HB3 . . 3.370 2.168 2.016 2.412 . 0 0 "[ . 1 . 2]" 1
914 1 56 VAL HA 1 94 CYS HB3 . . 4.280 3.855 2.883 4.342 0.062 12 0 "[ . 1 . 2]" 1
915 1 56 VAL HB 1 57 HIS H . . 3.520 3.008 2.778 3.133 . 0 0 "[ . 1 . 2]" 1
916 1 56 VAL HB 1 57 HIS HD2 . . 5.500 4.245 2.683 5.555 0.055 3 0 "[ . 1 . 2]" 1
917 1 56 VAL HB 1 59 CYS H . . 5.500 5.463 5.352 5.545 0.045 20 0 "[ . 1 . 2]" 1
918 1 56 VAL HB 1 91 GLU QG . . 4.640 4.555 4.292 4.727 0.087 15 0 "[ . 1 . 2]" 1
919 1 56 VAL MG1 1 57 HIS H . . 4.350 3.484 3.131 3.733 . 0 0 "[ . 1 . 2]" 1
920 1 56 VAL MG1 1 94 CYS HB2 . . 5.060 3.793 2.741 4.444 . 0 0 "[ . 1 . 2]" 1
921 1 56 VAL MG1 1 94 CYS HB3 . . 3.400 3.092 2.611 3.533 0.133 19 0 "[ . 1 . 2]" 1
922 1 56 VAL MG1 1 95 ILE H . . 5.500 4.267 3.953 4.562 . 0 0 "[ . 1 . 2]" 1
923 1 56 VAL MG1 1 95 ILE MD . . 3.230 2.965 2.698 3.295 0.065 16 0 "[ . 1 . 2]" 1
924 1 56 VAL MG2 1 57 HIS H . . 5.460 4.182 4.069 4.251 . 0 0 "[ . 1 . 2]" 1
925 1 56 VAL MG2 1 58 ASP H . . 5.500 5.488 5.342 5.590 0.090 14 0 "[ . 1 . 2]" 1
926 1 56 VAL MG2 1 59 CYS H . . 5.500 5.003 4.799 5.183 . 0 0 "[ . 1 . 2]" 1
927 1 56 VAL MG2 1 59 CYS HB3 . . 4.230 3.842 3.604 4.160 . 0 0 "[ . 1 . 2]" 1
928 1 56 VAL MG2 1 95 ILE H . . 4.070 3.995 3.430 4.142 0.072 4 0 "[ . 1 . 2]" 1
929 1 56 VAL MG2 1 95 ILE HA . . 3.560 3.541 3.303 3.662 0.102 13 0 "[ . 1 . 2]" 1
930 1 56 VAL MG2 1 95 ILE MD . . 3.950 3.297 2.889 3.709 . 0 0 "[ . 1 . 2]" 1
931 1 56 VAL MG2 1 95 ILE HG12 . . 3.530 2.767 2.524 2.934 . 0 0 "[ . 1 . 2]" 1
932 1 56 VAL MG2 1 95 ILE MG . . 4.000 4.045 3.844 4.129 0.129 19 0 "[ . 1 . 2]" 1
933 1 57 HIS H 1 57 HIS QB . . 3.060 2.298 2.071 2.569 . 0 0 "[ . 1 . 2]" 1
934 1 57 HIS H 1 57 HIS HD2 . . 4.240 3.248 1.881 4.309 0.069 5 0 "[ . 1 . 2]" 1
935 1 57 HIS H 1 58 ASP H . . 4.160 2.536 2.435 2.677 . 0 0 "[ . 1 . 2]" 1
936 1 57 HIS H 1 59 CYS H . . 3.680 3.759 3.744 3.771 0.091 3 0 "[ . 1 . 2]" 1
937 1 57 HIS HA 1 59 CYS H . . 5.500 4.215 3.944 4.391 . 0 0 "[ . 1 . 2]" 1
938 1 57 HIS HA 1 60 VAL H . . 4.320 3.611 3.398 3.829 . 0 0 "[ . 1 . 2]" 1
939 1 57 HIS HA 1 60 VAL HB . . 4.900 4.298 2.411 4.980 0.080 20 0 "[ . 1 . 2]" 1
940 1 57 HIS HA 1 60 VAL QG . . 4.170 2.440 1.958 3.517 . 0 0 "[ . 1 . 2]" 1
941 1 57 HIS QB 1 58 ASP H . . 3.670 3.018 2.470 3.744 0.074 20 0 "[ . 1 . 2]" 1
942 1 57 HIS QB 1 60 VAL QG . . 5.500 3.938 3.374 4.848 . 0 0 "[ . 1 . 2]" 1
943 1 57 HIS HD2 1 60 VAL QG . . 5.500 3.904 2.567 5.388 . 0 0 "[ . 1 . 2]" 1
944 1 58 ASP H 1 58 ASP HB2 . . 3.460 2.292 2.030 2.691 . 0 0 "[ . 1 . 2]" 1
945 1 58 ASP H 1 58 ASP HB3 . . 3.660 3.084 2.428 3.600 . 0 0 "[ . 1 . 2]" 1
946 1 58 ASP H 1 59 CYS H . . 3.970 2.239 1.803 2.527 . 0 0 "[ . 1 . 2]" 1
947 1 58 ASP H 1 59 CYS HB3 . . 5.500 4.397 3.930 4.768 . 0 0 "[ . 1 . 2]" 1
948 1 58 ASP HA 1 61 ASN H . . 3.920 3.791 3.401 3.990 0.070 9 0 "[ . 1 . 2]" 1
949 1 58 ASP HA 1 61 ASN HB2 . . 4.210 3.219 2.397 3.793 . 0 0 "[ . 1 . 2]" 1
950 1 58 ASP HA 1 61 ASN HB3 . . 3.490 2.544 2.142 3.338 . 0 0 "[ . 1 . 2]" 1
951 1 58 ASP HA 1 61 ASN HD21 . . 4.650 3.892 2.745 4.731 0.081 15 0 "[ . 1 . 2]" 1
952 1 58 ASP HA 1 62 ILE MD . . 5.100 5.029 4.632 5.202 0.102 18 0 "[ . 1 . 2]" 1
953 1 58 ASP HB2 1 59 CYS H . . 3.710 3.305 2.660 3.787 0.077 20 0 "[ . 1 . 2]" 1
954 1 58 ASP HB3 1 59 CYS H . . 3.910 3.091 2.693 3.579 . 0 0 "[ . 1 . 2]" 1
955 1 59 CYS H 1 59 CYS HB2 . . 3.460 2.434 2.232 2.699 . 0 0 "[ . 1 . 2]" 1
956 1 59 CYS H 1 59 CYS HB3 . . 3.260 2.485 2.253 2.654 . 0 0 "[ . 1 . 2]" 1
957 1 59 CYS H 1 60 VAL H . . 3.730 2.756 2.494 2.932 . 0 0 "[ . 1 . 2]" 1
958 1 59 CYS H 1 60 VAL QG . . 4.710 3.826 3.488 4.362 . 0 0 "[ . 1 . 2]" 1
959 1 59 CYS HB2 1 60 VAL H . . 3.880 3.679 3.498 3.826 . 0 0 "[ . 1 . 2]" 1
960 1 59 CYS HB3 1 60 VAL H . . 3.610 2.277 2.022 2.474 . 0 0 "[ . 1 . 2]" 1
961 1 59 CYS HB3 1 61 ASN H . . 5.500 4.993 4.630 5.323 . 0 0 "[ . 1 . 2]" 1
962 1 60 VAL H 1 60 VAL HB . . 3.560 3.220 2.282 3.626 0.066 4 0 "[ . 1 . 2]" 1
963 1 60 VAL H 1 60 VAL QG . . 2.950 2.034 1.905 2.268 . 0 0 "[ . 1 . 2]" 1
964 1 60 VAL H 1 61 ASN H . . 3.560 2.861 2.752 2.967 . 0 0 "[ . 1 . 2]" 1
965 1 60 VAL H 1 90 VAL QG . . 3.940 3.975 3.901 4.005 0.065 16 0 "[ . 1 . 2]" 1
966 1 60 VAL HA 1 60 VAL QG . . 3.110 2.193 2.119 2.261 . 0 0 "[ . 1 . 2]" 1
967 1 60 VAL HA 1 63 THR H . . 3.760 3.566 3.427 3.731 . 0 0 "[ . 1 . 2]" 1
968 1 60 VAL HA 1 63 THR HB . . 3.750 3.182 2.801 3.755 0.005 15 0 "[ . 1 . 2]" 1
969 1 60 VAL HA 1 63 THR HG1 . . 4.360 3.528 3.259 4.080 . 0 0 "[ . 1 . 2]" 1
970 1 60 VAL HA 1 64 VAL H . . 4.540 3.612 3.343 3.898 . 0 0 "[ . 1 . 2]" 1
971 1 60 VAL HA 1 90 VAL QG . . 2.840 1.904 1.826 1.955 . 0 0 "[ . 1 . 2]" 1
972 1 60 VAL HB 1 61 ASN H . . 3.180 3.059 2.451 3.273 0.093 14 0 "[ . 1 . 2]" 1
973 1 60 VAL HB 1 90 VAL QG . . 4.550 3.244 2.570 4.124 . 0 0 "[ . 1 . 2]" 1
974 1 60 VAL HB 1 91 GLU HA . . 5.500 4.880 4.428 5.283 . 0 0 "[ . 1 . 2]" 1
975 1 60 VAL QG 1 61 ASN H . . 3.680 2.235 1.788 3.236 . 0 0 "[ . 1 . 2]" 1
976 1 60 VAL QG 1 61 ASN HA . . 4.130 3.473 3.337 3.602 . 0 0 "[ . 1 . 2]" 1
977 1 60 VAL QG 1 91 GLU H . . 3.540 2.766 2.629 2.989 . 0 0 "[ . 1 . 2]" 1
978 1 60 VAL QG 1 91 GLU HA . . 3.030 2.242 2.022 2.532 . 0 0 "[ . 1 . 2]" 1
979 1 60 VAL QG 1 91 GLU QB . . 4.010 3.029 2.257 3.575 . 0 0 "[ . 1 . 2]" 1
980 1 60 VAL QG 1 91 GLU QG . . 2.690 2.217 1.943 2.719 0.029 17 0 "[ . 1 . 2]" 1
981 1 60 VAL QG 1 94 CYS HA . . 5.120 5.030 4.654 5.113 . 0 0 "[ . 1 . 2]" 1
982 1 60 VAL QG 1 94 CYS HB2 . . 3.800 3.049 2.584 3.172 . 0 0 "[ . 1 . 2]" 1
983 1 60 VAL QG 1 94 CYS HB3 . . 3.280 3.336 2.823 3.814 0.534 4 4 "[ *+. - . *]" 1
984 1 61 ASN H 1 61 ASN HB2 . . 3.070 2.453 2.117 2.668 . 0 0 "[ . 1 . 2]" 1
985 1 61 ASN H 1 61 ASN HB3 . . 2.750 2.779 2.407 3.131 0.381 3 0 "[ . 1 . 2]" 1
986 1 61 ASN H 1 62 ILE H . . 3.630 3.258 2.881 3.474 . 0 0 "[ . 1 . 2]" 1
987 1 61 ASN HA 1 64 VAL H . . 4.520 3.953 3.622 4.300 . 0 0 "[ . 1 . 2]" 1
988 1 61 ASN HA 1 64 VAL HB . . 3.570 3.484 2.710 3.655 0.085 15 0 "[ . 1 . 2]" 1
989 1 61 ASN HA 1 64 VAL MG1 . . 3.650 2.582 1.986 3.729 0.079 20 0 "[ . 1 . 2]" 1
990 1 61 ASN HA 1 64 VAL MG2 . . 5.500 4.585 4.029 4.783 . 0 0 "[ . 1 . 2]" 1
991 1 61 ASN HA 1 65 LYS HB3 . . 5.500 5.125 4.627 5.563 0.063 6 0 "[ . 1 . 2]" 1
992 1 61 ASN HB2 1 62 ILE H . . 3.990 3.706 3.197 4.027 0.037 11 0 "[ . 1 . 2]" 1
993 1 61 ASN HB3 1 61 ASN HD22 . . 3.880 3.767 3.504 4.153 0.273 18 0 "[ . 1 . 2]" 1
994 1 61 ASN HB3 1 62 ILE H . . 3.110 2.368 1.755 2.683 . 0 0 "[ . 1 . 2]" 1
995 1 62 ILE H 1 62 ILE HB . . 3.150 2.401 2.288 2.668 . 0 0 "[ . 1 . 2]" 1
996 1 62 ILE H 1 62 ILE MD . . 4.400 3.533 3.092 3.694 . 0 0 "[ . 1 . 2]" 1
997 1 62 ILE H 1 62 ILE HG12 . . 3.880 2.325 2.123 2.495 . 0 0 "[ . 1 . 2]" 1
998 1 62 ILE H 1 62 ILE HG13 . . 3.720 3.640 3.481 3.758 0.038 9 0 "[ . 1 . 2]" 1
999 1 62 ILE H 1 62 ILE MG . . 3.850 3.788 3.728 3.893 0.043 17 0 "[ . 1 . 2]" 1
1000 1 62 ILE H 1 63 THR H . . 3.290 2.894 2.722 3.063 . 0 0 "[ . 1 . 2]" 1
1001 1 62 ILE HA 1 62 ILE MD . . 3.220 2.125 2.042 2.266 . 0 0 "[ . 1 . 2]" 1
1002 1 62 ILE HA 1 62 ILE HG12 . . 3.590 2.949 2.788 3.197 . 0 0 "[ . 1 . 2]" 1
1003 1 62 ILE HA 1 62 ILE HG13 . . 3.740 3.734 3.683 3.777 0.037 18 0 "[ . 1 . 2]" 1
1004 1 62 ILE HA 1 62 ILE MG . . 3.420 2.612 2.485 2.704 . 0 0 "[ . 1 . 2]" 1
1005 1 62 ILE HA 1 65 LYS H . . 4.410 3.892 3.648 4.099 . 0 0 "[ . 1 . 2]" 1
1006 1 62 ILE HA 1 65 LYS HB2 . . 3.870 3.525 2.954 3.859 . 0 0 "[ . 1 . 2]" 1
1007 1 62 ILE HA 1 65 LYS HB3 . . 3.480 2.949 2.566 3.194 . 0 0 "[ . 1 . 2]" 1
1008 1 62 ILE HB 1 62 ILE MD . . 3.570 3.299 3.271 3.312 . 0 0 "[ . 1 . 2]" 1
1009 1 62 ILE HB 1 63 THR H . . 3.590 3.124 2.856 3.450 . 0 0 "[ . 1 . 2]" 1
1010 1 62 ILE MD 1 62 ILE MG . . 2.400 2.113 2.052 2.177 . 0 0 "[ . 1 . 2]" 1
1011 1 62 ILE MD 1 65 LYS HB2 . . 5.500 4.389 3.847 4.936 . 0 0 "[ . 1 . 2]" 1
1012 1 62 ILE MD 1 65 LYS HB3 . . 4.330 4.138 3.873 4.384 0.054 19 0 "[ . 1 . 2]" 1
1013 1 62 ILE MD 1 65 LYS QD . . 4.380 3.441 2.254 4.465 0.085 3 0 "[ . 1 . 2]" 1
1014 1 62 ILE MD 1 65 LYS QE . . 3.930 3.380 2.168 4.045 0.115 9 0 "[ . 1 . 2]" 1
1015 1 62 ILE HG13 1 62 ILE MG . . 3.610 2.328 2.267 2.459 . 0 0 "[ . 1 . 2]" 1
1016 1 62 ILE MG 1 63 THR H . . 3.760 3.594 3.304 3.832 0.072 5 0 "[ . 1 . 2]" 1
1017 1 62 ILE MG 1 63 THR HA . . 4.350 3.553 3.252 3.859 . 0 0 "[ . 1 . 2]" 1
1018 1 62 ILE MG 1 63 THR HG1 . . 4.530 4.190 3.757 4.616 0.086 16 0 "[ . 1 . 2]" 1
1019 1 63 THR H 1 63 THR HB . . 3.020 2.609 2.464 2.777 . 0 0 "[ . 1 . 2]" 1
1020 1 63 THR H 1 63 THR HG1 . . 3.100 2.612 2.275 3.157 0.057 10 0 "[ . 1 . 2]" 1
1021 1 63 THR H 1 63 THR MG . . 4.510 3.824 3.753 3.876 . 0 0 "[ . 1 . 2]" 1
1022 1 63 THR H 1 64 VAL H . . 3.240 2.526 2.343 2.704 . 0 0 "[ . 1 . 2]" 1
1023 1 63 THR H 1 64 VAL HB . . 5.500 4.294 4.038 4.590 . 0 0 "[ . 1 . 2]" 1
1024 1 63 THR H 1 65 LYS H . . 3.710 3.758 3.560 3.789 0.079 6 0 "[ . 1 . 2]" 1
1025 1 63 THR H 1 90 VAL QG . . 4.210 3.601 3.327 3.802 . 0 0 "[ . 1 . 2]" 1
1026 1 63 THR HA 1 63 THR MG . . 3.440 2.318 2.214 2.426 . 0 0 "[ . 1 . 2]" 1
1027 1 63 THR HA 1 67 HIS HD2 . . 5.500 4.517 3.791 4.992 . 0 0 "[ . 1 . 2]" 1
1028 1 63 THR HA 1 90 VAL QG . . 5.500 4.279 4.195 4.387 . 0 0 "[ . 1 . 2]" 1
1029 1 63 THR HB 1 64 VAL H . . 3.290 2.434 2.118 2.886 . 0 0 "[ . 1 . 2]" 1
1030 1 63 THR HB 1 64 VAL HA . . 4.620 4.287 4.102 4.491 . 0 0 "[ . 1 . 2]" 1
1031 1 63 THR HB 1 90 VAL HB . . 4.450 4.512 4.418 4.534 0.084 14 0 "[ . 1 . 2]" 1
1032 1 63 THR HB 1 90 VAL QG . . 3.210 2.000 1.953 2.064 . 0 0 "[ . 1 . 2]" 1
1033 1 63 THR HG1 1 64 VAL H . . 5.180 4.053 3.797 4.561 . 0 0 "[ . 1 . 2]" 1
1034 1 63 THR HG1 1 90 VAL QG . . 4.220 2.960 2.742 3.137 . 0 0 "[ . 1 . 2]" 1
1035 1 63 THR MG 1 64 VAL H . . 4.320 3.456 3.145 3.924 . 0 0 "[ . 1 . 2]" 1
1036 1 63 THR MG 1 64 VAL HA . . 4.450 3.736 3.444 4.063 . 0 0 "[ . 1 . 2]" 1
1037 1 63 THR MG 1 64 VAL HB . . 5.500 4.817 4.311 5.273 . 0 0 "[ . 1 . 2]" 1
1038 1 63 THR MG 1 67 HIS HD2 . . 5.120 2.985 2.265 3.506 . 0 0 "[ . 1 . 2]" 1
1039 1 63 THR MG 1 90 VAL QG . . 2.950 2.308 1.973 2.626 . 0 0 "[ . 1 . 2]" 1
1040 1 64 VAL H 1 64 VAL HB . . 2.920 2.095 1.938 2.260 . 0 0 "[ . 1 . 2]" 1
1041 1 64 VAL H 1 64 VAL MG1 . . 4.020 3.161 2.780 3.641 . 0 0 "[ . 1 . 2]" 1
1042 1 64 VAL H 1 64 VAL MG2 . . 4.390 3.188 2.429 3.701 . 0 0 "[ . 1 . 2]" 1
1043 1 64 VAL H 1 65 LYS H . . 3.450 2.830 2.610 3.104 . 0 0 "[ . 1 . 2]" 1
1044 1 64 VAL H 1 90 VAL QG . . 3.700 2.763 2.611 2.934 . 0 0 "[ . 1 . 2]" 1
1045 1 64 VAL HA 1 64 VAL MG1 . . 3.300 3.071 2.709 3.261 . 0 0 "[ . 1 . 2]" 1
1046 1 64 VAL HA 1 64 VAL MG2 . . 3.000 2.190 2.129 2.286 . 0 0 "[ . 1 . 2]" 1
1047 1 64 VAL HA 1 66 GLN H . . 4.250 4.200 3.934 4.325 0.075 2 0 "[ . 1 . 2]" 1
1048 1 64 VAL HA 1 67 HIS H . . 4.530 3.295 3.070 3.530 . 0 0 "[ . 1 . 2]" 1
1049 1 64 VAL HA 1 67 HIS HB2 . . 2.630 2.570 2.239 2.708 0.078 20 0 "[ . 1 . 2]" 1
1050 1 64 VAL HA 1 67 HIS HD2 . . 5.410 3.594 2.321 4.396 . 0 0 "[ . 1 . 2]" 1
1051 1 64 VAL HA 1 68 THR H . . 4.690 4.268 3.910 4.768 0.078 6 0 "[ . 1 . 2]" 1
1052 1 64 VAL HA 1 90 VAL QG . . 4.400 3.360 3.123 3.788 . 0 0 "[ . 1 . 2]" 1
1053 1 64 VAL HB 1 65 LYS H . . 3.630 3.425 2.826 3.694 0.064 10 0 "[ . 1 . 2]" 1
1054 1 64 VAL HB 1 90 VAL QG . . 3.420 3.118 2.762 3.391 . 0 0 "[ . 1 . 2]" 1
1055 1 64 VAL MG1 1 65 LYS H . . 4.310 2.519 2.135 3.230 . 0 0 "[ . 1 . 2]" 1
1056 1 64 VAL MG2 1 65 LYS H . . 4.210 4.171 4.013 4.284 0.074 6 0 "[ . 1 . 2]" 1
1057 1 65 LYS H 1 65 LYS HB2 . . 3.410 2.511 2.350 2.609 . 0 0 "[ . 1 . 2]" 1
1058 1 65 LYS H 1 65 LYS HB3 . . 3.060 2.494 2.351 2.749 . 0 0 "[ . 1 . 2]" 1
1059 1 65 LYS H 1 65 LYS QD . . 5.200 4.484 4.070 4.874 . 0 0 "[ . 1 . 2]" 1
1060 1 65 LYS H 1 65 LYS HG2 . . 5.500 4.485 4.364 4.614 . 0 0 "[ . 1 . 2]" 1
1061 1 65 LYS H 1 65 LYS HG3 . . 5.500 4.475 4.347 4.595 . 0 0 "[ . 1 . 2]" 1
1062 1 65 LYS H 1 66 GLN H . . 3.280 3.011 2.785 3.159 . 0 0 "[ . 1 . 2]" 1
1063 1 65 LYS H 1 67 HIS H . . 5.030 4.471 4.141 4.637 . 0 0 "[ . 1 . 2]" 1
1064 1 65 LYS HA 1 65 LYS QD . . 4.430 3.983 3.441 4.265 . 0 0 "[ . 1 . 2]" 1
1065 1 65 LYS HA 1 65 LYS QE . . 4.950 4.628 3.658 5.031 0.081 3 0 "[ . 1 . 2]" 1
1066 1 65 LYS HA 1 65 LYS HG2 . . 3.060 3.081 2.466 3.471 0.411 8 0 "[ . 1 . 2]" 1
1067 1 65 LYS HA 1 68 THR HB . . 3.400 2.611 2.183 3.186 . 0 0 "[ . 1 . 2]" 1
1068 1 65 LYS HA 1 68 THR MG . . 5.480 2.650 2.222 2.974 . 0 0 "[ . 1 . 2]" 1
1069 1 65 LYS HB2 1 65 LYS QD . . 2.990 2.598 2.258 3.112 0.122 3 0 "[ . 1 . 2]" 1
1070 1 65 LYS HB2 1 65 LYS QE . . 4.090 3.379 2.131 4.101 0.011 11 0 "[ . 1 . 2]" 1
1071 1 65 LYS HB2 1 66 GLN H . . 4.340 4.060 3.919 4.250 . 0 0 "[ . 1 . 2]" 1
1072 1 65 LYS HB3 1 65 LYS QD . . 3.070 2.579 2.024 3.065 . 0 0 "[ . 1 . 2]" 1
1073 1 65 LYS HB3 1 65 LYS QE . . 3.660 2.995 1.914 4.055 0.395 16 0 "[ . 1 . 2]" 1
1074 1 65 LYS HB3 1 66 GLN H . . 3.880 2.756 2.504 3.089 . 0 0 "[ . 1 . 2]" 1
1075 1 65 LYS QD 1 65 LYS HG2 . . 2.400 2.345 2.105 2.489 0.089 8 0 "[ . 1 . 2]" 1
1076 1 65 LYS QD 1 65 LYS HG3 . . 2.440 2.302 2.156 2.501 0.061 3 0 "[ . 1 . 2]" 1
1077 1 65 LYS QD 1 69 VAL QG . . 5.230 3.224 2.161 4.114 . 0 0 "[ . 1 . 2]" 1
1078 1 65 LYS QE 1 65 LYS HG2 . . 3.330 2.563 2.150 3.406 0.076 17 0 "[ . 1 . 2]" 1
1079 1 65 LYS QE 1 69 VAL QG . . 4.700 3.378 2.263 4.306 . 0 0 "[ . 1 . 2]" 1
1080 1 65 LYS HG2 1 68 THR H . . 5.500 5.225 4.605 5.665 0.165 10 0 "[ . 1 . 2]" 1
1081 1 65 LYS HG2 1 69 VAL QG . . 4.550 2.519 1.927 3.125 . 0 0 "[ . 1 . 2]" 1
1082 1 65 LYS HG3 1 69 VAL QG . . 5.390 2.849 2.205 3.929 . 0 0 "[ . 1 . 2]" 1
1083 1 66 GLN H 1 66 GLN HB2 . . 3.560 2.219 1.865 2.519 . 0 0 "[ . 1 . 2]" 1
1084 1 66 GLN H 1 66 GLN HB3 . . 3.730 3.464 3.054 3.652 . 0 0 "[ . 1 . 2]" 1
1085 1 66 GLN H 1 66 GLN HG2 . . 3.500 3.100 2.334 3.588 0.088 2 0 "[ . 1 . 2]" 1
1086 1 66 GLN H 1 66 GLN HG3 . . 3.730 3.563 2.477 3.821 0.091 3 0 "[ . 1 . 2]" 1
1087 1 66 GLN H 1 67 HIS H . . 3.120 2.656 2.526 2.811 . 0 0 "[ . 1 . 2]" 1
1088 1 66 GLN H 1 67 HIS HD2 . . 4.290 4.273 3.877 4.368 0.078 7 0 "[ . 1 . 2]" 1
1089 1 66 GLN H 1 68 THR HB . . 5.140 4.853 4.253 5.210 0.070 14 0 "[ . 1 . 2]" 1
1090 1 66 GLN H 1 68 THR MG . . 5.200 5.195 4.925 5.319 0.119 9 0 "[ . 1 . 2]" 1
1091 1 66 GLN HA 1 66 GLN HG3 . . 3.760 3.586 3.024 3.815 0.055 17 0 "[ . 1 . 2]" 1
1092 1 66 GLN HA 1 68 THR H . . 4.100 3.969 3.479 4.180 0.080 13 0 "[ . 1 . 2]" 1
1093 1 66 GLN HA 1 69 VAL H . . 3.650 3.191 2.927 3.703 0.053 14 0 "[ . 1 . 2]" 1
1094 1 66 GLN HA 1 69 VAL HB . . 4.600 4.175 2.490 4.698 0.098 18 0 "[ . 1 . 2]" 1
1095 1 66 GLN HA 1 69 VAL QG . . 4.140 2.364 1.868 3.739 . 0 0 "[ . 1 . 2]" 1
1096 1 66 GLN HA 1 70 THR H . . 3.410 3.447 3.096 3.499 0.089 15 0 "[ . 1 . 2]" 1
1097 1 66 GLN HB2 1 67 HIS H . . 3.120 2.791 2.202 3.325 0.205 6 0 "[ . 1 . 2]" 1
1098 1 66 GLN HB3 1 66 GLN HE21 . . 4.310 2.948 1.855 4.368 0.058 1 0 "[ . 1 . 2]" 1
1099 1 66 GLN HB3 1 66 GLN HG3 . . 2.400 2.672 2.396 3.044 0.644 4 3 "[ - +. * 1 . 2]" 1
1100 1 66 GLN HB3 1 67 HIS H . . 3.820 3.257 2.657 3.906 0.086 14 0 "[ . 1 . 2]" 1
1101 1 66 GLN HE21 1 66 GLN HG2 . . 3.610 3.277 2.228 3.658 0.048 19 0 "[ . 1 . 2]" 1
1102 1 67 HIS H 1 67 HIS HB2 . . 3.680 2.329 2.201 2.592 . 0 0 "[ . 1 . 2]" 1
1103 1 67 HIS H 1 67 HIS HB3 . . 3.640 3.556 3.472 3.688 0.048 14 0 "[ . 1 . 2]" 1
1104 1 67 HIS H 1 67 HIS HD2 . . 4.360 2.550 2.295 3.108 . 0 0 "[ . 1 . 2]" 1
1105 1 67 HIS H 1 68 THR H . . 2.860 2.688 2.527 2.921 0.061 2 0 "[ . 1 . 2]" 1
1106 1 67 HIS H 1 69 VAL H . . 5.500 4.340 4.174 4.486 . 0 0 "[ . 1 . 2]" 1
1107 1 67 HIS HA 1 67 HIS HD2 . . 4.480 3.771 3.229 4.534 0.054 14 0 "[ . 1 . 2]" 1
1108 1 67 HIS HA 1 70 THR H . . 4.540 4.164 3.834 4.602 0.062 14 0 "[ . 1 . 2]" 1
1109 1 67 HIS HA 1 70 THR HB . . 4.220 3.142 2.621 3.774 . 0 0 "[ . 1 . 2]" 1
1110 1 67 HIS HA 1 70 THR MG . . 4.700 4.083 3.417 4.752 0.052 9 0 "[ . 1 . 2]" 1
1111 1 67 HIS HA 1 71 THR H . . 5.140 4.974 4.495 5.209 0.069 19 0 "[ . 1 . 2]" 1
1112 1 67 HIS HB2 1 68 THR H . . 3.920 3.236 2.733 3.895 . 0 0 "[ . 1 . 2]" 1
1113 1 67 HIS HB3 1 68 THR H . . 4.370 3.860 3.359 4.430 0.060 4 0 "[ . 1 . 2]" 1
1114 1 68 THR H 1 68 THR HB . . 3.190 2.202 1.992 2.668 . 0 0 "[ . 1 . 2]" 1
1115 1 68 THR H 1 68 THR MG . . 3.620 3.296 3.009 3.551 . 0 0 "[ . 1 . 2]" 1
1116 1 68 THR H 1 69 VAL H . . 4.620 2.508 1.854 3.024 . 0 0 "[ . 1 . 2]" 1
1117 1 68 THR H 1 69 VAL QG . . 4.710 3.851 3.389 4.088 . 0 0 "[ . 1 . 2]" 1
1118 1 68 THR HA 1 68 THR MG . . 3.590 2.992 2.737 3.146 . 0 0 "[ . 1 . 2]" 1
1119 1 68 THR HA 1 71 THR H . . 3.720 3.770 3.527 3.807 0.087 9 0 "[ . 1 . 2]" 1
1120 1 68 THR HA 1 78 PHE QD . . 4.130 3.589 2.817 4.120 . 0 0 "[ . 1 . 2]" 1
1121 1 68 THR HB 1 69 VAL H . . 3.510 3.307 2.693 3.591 0.081 5 0 "[ . 1 . 2]" 1
1122 1 68 THR HB 1 78 PHE QD . . 5.280 5.148 4.327 5.372 0.092 13 0 "[ . 1 . 2]" 1
1123 1 68 THR MG 1 69 VAL H . . 3.680 2.704 2.440 3.122 . 0 0 "[ . 1 . 2]" 1
1124 1 68 THR MG 1 78 PHE QD . . 5.500 3.942 3.042 5.010 . 0 0 "[ . 1 . 2]" 1
1125 1 69 VAL H 1 69 VAL HB . . 3.530 3.126 2.007 3.609 0.079 13 0 "[ . 1 . 2]" 1
1126 1 69 VAL H 1 69 VAL QG . . 3.330 2.227 1.834 2.846 . 0 0 "[ . 1 . 2]" 1
1127 1 69 VAL H 1 70 THR H . . 3.640 2.514 2.376 2.684 . 0 0 "[ . 1 . 2]" 1
1128 1 69 VAL H 1 70 THR MG . . 5.500 5.597 5.509 5.613 0.113 12 0 "[ . 1 . 2]" 1
1129 1 69 VAL HA 1 69 VAL QG . . 3.140 2.222 2.129 2.348 . 0 0 "[ . 1 . 2]" 1
1130 1 69 VAL HA 1 71 THR H . . 3.650 3.675 3.484 3.726 0.076 20 0 "[ . 1 . 2]" 1
1131 1 69 VAL HA 1 72 THR H . . 4.480 3.188 3.006 3.467 . 0 0 "[ . 1 . 2]" 1
1132 1 69 VAL HA 1 72 THR HA . . 4.930 4.978 4.782 5.020 0.090 15 0 "[ . 1 . 2]" 1
1133 1 69 VAL HA 1 72 THR HB . . 3.410 2.271 2.029 2.551 . 0 0 "[ . 1 . 2]" 1
1134 1 69 VAL HA 1 72 THR MG . . 4.300 3.601 3.163 3.858 . 0 0 "[ . 1 . 2]" 1
1135 1 69 VAL QG 1 70 THR H . . 3.860 2.272 2.000 2.634 . 0 0 "[ . 1 . 2]" 1
1136 1 69 VAL QG 1 70 THR HA . . 3.900 3.478 3.047 3.836 . 0 0 "[ . 1 . 2]" 1
1137 1 69 VAL QG 1 70 THR HB . . 4.170 4.038 3.609 4.194 0.024 8 0 "[ . 1 . 2]" 1
1138 1 69 VAL QG 1 70 THR MG . . 4.930 4.449 4.200 4.734 . 0 0 "[ . 1 . 2]" 1
1139 1 69 VAL QG 1 71 THR H . . 5.500 4.232 4.132 4.447 . 0 0 "[ . 1 . 2]" 1
1140 1 70 THR H 1 70 THR HB . . 3.380 2.318 2.180 2.553 . 0 0 "[ . 1 . 2]" 1
1141 1 70 THR H 1 70 THR MG . . 3.770 3.662 3.580 3.713 . 0 0 "[ . 1 . 2]" 1
1142 1 70 THR HA 1 70 THR MG . . 2.910 2.530 2.393 2.707 . 0 0 "[ . 1 . 2]" 1
1143 1 70 THR HB 1 71 THR H . . 3.710 3.215 2.876 3.439 . 0 0 "[ . 1 . 2]" 1
1144 1 70 THR MG 1 71 THR H . . 4.060 3.817 3.399 4.132 0.072 8 0 "[ . 1 . 2]" 1
1145 1 71 THR H 1 71 THR HA . . 2.930 2.962 2.929 2.999 0.069 10 0 "[ . 1 . 2]" 1
1146 1 71 THR H 1 71 THR HB . . 3.710 3.361 2.860 3.588 . 0 0 "[ . 1 . 2]" 1
1147 1 71 THR H 1 71 THR MG . . 3.740 3.302 2.655 3.861 0.121 20 0 "[ . 1 . 2]" 1
1148 1 71 THR H 1 72 THR H . . 2.400 2.152 1.978 2.339 . 0 0 "[ . 1 . 2]" 1
1149 1 71 THR H 1 72 THR HA . . 5.180 4.791 4.697 4.896 . 0 0 "[ . 1 . 2]" 1
1150 1 71 THR H 1 72 THR HB . . 4.190 4.054 3.651 4.266 0.076 9 0 "[ . 1 . 2]" 1
1151 1 71 THR H 1 73 THR H . . 3.760 3.626 3.387 3.757 . 0 0 "[ . 1 . 2]" 1
1152 1 71 THR HA 1 71 THR MG . . 2.550 2.205 2.062 2.378 . 0 0 "[ . 1 . 2]" 1
1153 1 71 THR HA 1 74 LYS HB2 . . 5.020 3.157 2.591 4.456 . 0 0 "[ . 1 . 2]" 1
1154 1 71 THR HA 1 74 LYS HG3 . . 5.500 2.918 2.226 3.829 . 0 0 "[ . 1 . 2]" 1
1155 1 71 THR HA 1 75 GLY H . . 5.190 4.565 4.254 5.074 . 0 0 "[ . 1 . 2]" 1
1156 1 71 THR HA 1 76 GLU H . . 4.930 4.201 3.882 4.990 0.060 1 0 "[ . 1 . 2]" 1
1157 1 71 THR HA 1 76 GLU QB . . 4.320 3.224 2.661 4.325 0.005 1 0 "[ . 1 . 2]" 1
1158 1 71 THR HB 1 72 THR H . . 3.410 3.276 2.957 3.481 0.071 10 0 "[ . 1 . 2]" 1
1159 1 71 THR HB 1 76 GLU QB . . 3.360 2.167 1.898 3.433 0.073 1 0 "[ . 1 . 2]" 1
1160 1 71 THR HB 1 76 GLU QG . . 4.050 3.474 2.364 4.136 0.086 18 0 "[ . 1 . 2]" 1
1161 1 71 THR HB 1 78 PHE QD . . 5.500 4.598 3.358 5.412 . 0 0 "[ . 1 . 2]" 1
1162 1 71 THR HB 1 78 PHE QE . . 5.500 2.717 2.073 3.579 . 0 0 "[ . 1 . 2]" 1
1163 1 71 THR MG 1 76 GLU QB . . 3.070 2.718 1.961 3.200 0.130 11 0 "[ . 1 . 2]" 1
1164 1 71 THR MG 1 76 GLU QG . . 4.280 3.523 2.423 4.366 0.086 15 0 "[ . 1 . 2]" 1
1165 1 72 THR H 1 72 THR HB . . 3.290 2.342 2.123 2.535 . 0 0 "[ . 1 . 2]" 1
1166 1 72 THR H 1 73 THR H . . 4.150 2.854 2.664 2.994 . 0 0 "[ . 1 . 2]" 1
1167 1 72 THR HA 1 72 THR MG . . 2.940 2.540 2.365 2.651 . 0 0 "[ . 1 . 2]" 1
1168 1 72 THR HA 1 75 GLY H . . 5.040 2.862 2.627 3.450 . 0 0 "[ . 1 . 2]" 1
1169 1 72 THR HA 1 76 GLU H . . 5.500 3.090 2.657 3.390 . 0 0 "[ . 1 . 2]" 1
1170 1 72 THR HA 1 76 GLU QB . . 3.770 3.744 3.401 3.863 0.093 2 0 "[ . 1 . 2]" 1
1171 1 72 THR HA 1 76 GLU QG . . 5.270 5.197 4.733 5.367 0.097 3 0 "[ . 1 . 2]" 1
1172 1 72 THR HB 1 73 THR H . . 3.230 2.895 2.595 3.093 . 0 0 "[ . 1 . 2]" 1
1173 1 72 THR MG 1 73 THR H . . 3.410 3.486 3.378 3.523 0.113 15 0 "[ . 1 . 2]" 1
1174 1 72 THR MG 1 76 GLU H . . 5.500 4.989 4.592 5.285 . 0 0 "[ . 1 . 2]" 1
1175 1 72 THR MG 1 77 ASN H . . 5.500 4.624 3.997 5.126 . 0 0 "[ . 1 . 2]" 1
1176 1 72 THR MG 1 77 ASN HA . . 5.500 3.184 2.528 3.843 . 0 0 "[ . 1 . 2]" 1
1177 1 72 THR MG 1 78 PHE H . . 5.500 4.810 4.200 5.560 0.060 10 0 "[ . 1 . 2]" 1
1178 1 73 THR H 1 73 THR HB . . 3.040 2.236 2.024 2.495 . 0 0 "[ . 1 . 2]" 1
1179 1 73 THR H 1 73 THR MG . . 3.310 2.509 2.162 2.854 . 0 0 "[ . 1 . 2]" 1
1180 1 73 THR H 1 74 LYS H . . 3.080 2.756 2.594 2.999 . 0 0 "[ . 1 . 2]" 1
1181 1 73 THR H 1 74 LYS HG3 . . 5.500 4.391 4.143 4.712 . 0 0 "[ . 1 . 2]" 1
1182 1 73 THR HB 1 74 LYS H . . 3.950 3.954 3.692 4.037 0.087 8 0 "[ . 1 . 2]" 1
1183 1 73 THR MG 1 74 LYS H . . 4.330 2.496 2.160 2.884 . 0 0 "[ . 1 . 2]" 1
1184 1 73 THR MG 1 74 LYS HG2 . . 3.080 2.936 2.417 3.168 0.088 17 0 "[ . 1 . 2]" 1
1185 1 74 LYS H 1 74 LYS HB2 . . 3.460 2.547 2.332 2.708 . 0 0 "[ . 1 . 2]" 1
1186 1 74 LYS H 1 74 LYS HB3 . . 3.540 3.600 3.524 3.626 0.086 12 0 "[ . 1 . 2]" 1
1187 1 74 LYS H 1 74 LYS QD . . 5.500 4.011 3.732 4.276 . 0 0 "[ . 1 . 2]" 1
1188 1 74 LYS H 1 74 LYS HG2 . . 3.960 3.322 2.955 3.574 . 0 0 "[ . 1 . 2]" 1
1189 1 74 LYS H 1 74 LYS HG3 . . 4.320 2.415 2.031 2.737 . 0 0 "[ . 1 . 2]" 1
1190 1 74 LYS H 1 75 GLY H . . 3.160 2.366 2.149 2.593 . 0 0 "[ . 1 . 2]" 1
1191 1 74 LYS HA 1 74 LYS QD . . 4.180 4.163 4.044 4.243 0.063 15 0 "[ . 1 . 2]" 1
1192 1 74 LYS HA 1 74 LYS QE . . 3.800 3.652 3.249 3.881 0.081 1 0 "[ . 1 . 2]" 1
1193 1 74 LYS HA 1 74 LYS HG2 . . 3.430 2.579 2.426 2.751 . 0 0 "[ . 1 . 2]" 1
1194 1 74 LYS HA 1 74 LYS HG3 . . 4.200 3.362 3.163 3.535 . 0 0 "[ . 1 . 2]" 1
1195 1 74 LYS HA 1 75 GLY H . . 3.450 3.519 3.438 3.541 0.091 14 0 "[ . 1 . 2]" 1
1196 1 74 LYS HB2 1 74 LYS QD . . 2.400 2.387 2.239 2.490 0.090 1 0 "[ . 1 . 2]" 1
1197 1 74 LYS HB2 1 74 LYS QE . . 4.180 3.490 3.236 3.909 . 0 0 "[ . 1 . 2]" 1
1198 1 74 LYS HB2 1 74 LYS HG2 . . 3.020 3.052 3.036 3.064 0.044 9 0 "[ . 1 . 2]" 1
1199 1 74 LYS HB2 1 75 GLY H . . 4.380 2.949 2.444 3.303 . 0 0 "[ . 1 . 2]" 1
1200 1 74 LYS HB2 1 76 GLU H . . 3.900 2.930 2.369 3.309 . 0 0 "[ . 1 . 2]" 1
1201 1 74 LYS HB3 1 74 LYS QD . . 2.400 2.478 2.311 2.507 0.107 9 0 "[ . 1 . 2]" 1
1202 1 74 LYS HB3 1 74 LYS QE . . 4.570 2.288 2.019 2.884 . 0 0 "[ . 1 . 2]" 1
1203 1 74 LYS HB3 1 74 LYS HG2 . . 2.940 2.587 2.528 2.630 . 0 0 "[ . 1 . 2]" 1
1204 1 74 LYS HB3 1 75 GLY H . . 3.970 3.954 3.643 4.060 0.090 2 0 "[ . 1 . 2]" 1
1205 1 74 LYS QD 1 74 LYS HG3 . . 2.400 2.179 2.156 2.213 . 0 0 "[ . 1 . 2]" 1
1206 1 74 LYS QE 1 74 LYS HG2 . . 3.770 2.309 2.123 2.662 . 0 0 "[ . 1 . 2]" 1
1207 1 74 LYS QE 1 74 LYS HG3 . . 3.650 3.316 3.215 3.522 . 0 0 "[ . 1 . 2]" 1
1208 1 74 LYS HG2 1 75 GLY H . . 5.500 4.984 4.601 5.168 . 0 0 "[ . 1 . 2]" 1
1209 1 74 LYS HG3 1 75 GLY H . . 5.500 4.342 3.859 4.739 . 0 0 "[ . 1 . 2]" 1
1210 1 75 GLY H 1 76 GLU H . . 3.080 2.027 1.880 2.199 . 0 0 "[ . 1 . 2]" 1
1211 1 75 GLY H 1 76 GLU HA . . 5.500 4.677 4.460 4.882 . 0 0 "[ . 1 . 2]" 1
1212 1 75 GLY H 1 76 GLU QG . . 5.500 5.147 4.273 5.583 0.083 16 0 "[ . 1 . 2]" 1
1213 1 75 GLY H 1 77 ASN HA . . 5.500 5.586 5.575 5.596 0.096 3 0 "[ . 1 . 2]" 1
1214 1 75 GLY HA2 1 76 GLU H . . 3.610 3.345 2.923 3.482 . 0 0 "[ . 1 . 2]" 1
1215 1 75 GLY HA2 1 77 ASN H . . 4.350 4.086 3.028 4.429 0.079 13 0 "[ . 1 . 2]" 1
1216 1 76 GLU H 1 76 GLU QB . . 2.960 2.135 1.975 2.306 . 0 0 "[ . 1 . 2]" 1
1217 1 76 GLU H 1 76 GLU QG . . 3.760 3.423 2.570 3.862 0.102 11 0 "[ . 1 . 2]" 1
1218 1 76 GLU H 1 77 ASN H . . 3.670 3.568 2.400 3.764 0.094 3 0 "[ . 1 . 2]" 1
1219 1 76 GLU HA 1 76 GLU QG . . 3.560 2.330 2.072 2.822 . 0 0 "[ . 1 . 2]" 1
1220 1 76 GLU HA 1 77 ASN H . . 2.790 2.301 2.091 2.898 0.108 11 0 "[ . 1 . 2]" 1
1221 1 76 GLU QB 1 77 ASN H . . 4.560 3.757 3.129 3.952 . 0 0 "[ . 1 . 2]" 1
1222 1 76 GLU QB 1 77 ASN HD21 . . 4.740 4.813 4.579 4.841 0.101 14 0 "[ . 1 . 2]" 1
1223 1 76 GLU QB 1 78 PHE QD . . 5.370 4.634 3.674 5.460 0.090 13 0 "[ . 1 . 2]" 1
1224 1 76 GLU QB 1 78 PHE QE . . 4.900 3.476 2.371 4.803 . 0 0 "[ . 1 . 2]" 1
1225 1 76 GLU QG 1 77 ASN H . . 4.330 4.012 3.435 4.405 0.075 19 0 "[ . 1 . 2]" 1
1226 1 76 GLU QG 1 78 PHE QD . . 5.500 5.113 3.639 5.619 0.119 17 0 "[ . 1 . 2]" 1
1227 1 76 GLU QG 1 78 PHE QE . . 5.010 4.198 2.348 4.938 . 0 0 "[ . 1 . 2]" 1
1228 1 77 ASN H 1 77 ASN QB . . 3.600 2.646 2.282 3.436 . 0 0 "[ . 1 . 2]" 1
1229 1 77 ASN H 1 77 ASN HD21 . . 4.350 2.421 2.005 3.643 . 0 0 "[ . 1 . 2]" 1
1230 1 77 ASN H 1 78 PHE QD . . 5.500 4.904 4.454 5.246 . 0 0 "[ . 1 . 2]" 1
1231 1 77 ASN H 1 78 PHE QE . . 5.500 5.484 5.247 5.599 0.099 13 0 "[ . 1 . 2]" 1
1232 1 77 ASN HA 1 78 PHE H . . 3.110 2.656 2.226 2.959 . 0 0 "[ . 1 . 2]" 1
1233 1 77 ASN HA 1 78 PHE QB . . 4.970 4.256 3.921 4.501 . 0 0 "[ . 1 . 2]" 1
1234 1 77 ASN QB 1 78 PHE H . . 3.560 2.313 1.887 2.905 . 0 0 "[ . 1 . 2]" 1
1235 1 77 ASN QB 1 78 PHE QB . . 4.870 4.472 4.233 4.575 . 0 0 "[ . 1 . 2]" 1
1236 1 77 ASN QB 1 78 PHE QD . . 5.500 4.508 4.238 4.902 . 0 0 "[ . 1 . 2]" 1
1237 1 78 PHE H 1 78 PHE QB . . 3.140 2.554 2.224 2.795 . 0 0 "[ . 1 . 2]" 1
1238 1 78 PHE H 1 78 PHE QD . . 3.860 3.254 1.898 3.865 0.005 4 0 "[ . 1 . 2]" 1
1239 1 78 PHE H 1 79 THR H . . 4.960 4.378 4.116 4.661 . 0 0 "[ . 1 . 2]" 1
1240 1 78 PHE HA 1 78 PHE QD . . 3.160 2.930 2.117 3.195 0.035 20 0 "[ . 1 . 2]" 1
1241 1 78 PHE HA 1 78 PHE QE . . 5.380 4.507 4.275 4.757 . 0 0 "[ . 1 . 2]" 1
1242 1 78 PHE HA 1 79 THR H . . 3.010 2.279 2.112 2.627 . 0 0 "[ . 1 . 2]" 1
1243 1 78 PHE HA 1 79 THR MG . . 5.180 3.689 2.974 4.408 . 0 0 "[ . 1 . 2]" 1
1244 1 78 PHE HA 1 82 ASP HB2 . . 4.880 3.910 2.486 4.797 . 0 0 "[ . 1 . 2]" 1
1245 1 78 PHE HA 1 82 ASP HB3 . . 5.320 3.964 3.009 5.146 . 0 0 "[ . 1 . 2]" 1
1246 1 78 PHE QB 1 79 THR H . . 3.950 2.830 2.089 3.339 . 0 0 "[ . 1 . 2]" 1
1247 1 78 PHE QB 1 83 VAL QG . . 3.900 2.163 1.971 2.475 . 0 0 "[ . 1 . 2]" 1
1248 1 78 PHE QD 1 79 THR H . . 4.200 3.869 3.104 4.292 0.092 19 0 "[ . 1 . 2]" 1
1249 1 78 PHE QD 1 82 ASP HB2 . . 4.160 3.603 2.475 4.650 0.490 7 0 "[ . 1 . 2]" 1
1250 1 78 PHE QD 1 82 ASP HB3 . . 5.010 2.694 2.191 3.764 . 0 0 "[ . 1 . 2]" 1
1251 1 78 PHE QE 1 86 ILE MD . . 5.500 2.513 2.031 4.494 . 0 0 "[ . 1 . 2]" 1
1252 1 79 THR H 1 79 THR HB . . 3.850 3.587 3.440 3.897 0.047 17 0 "[ . 1 . 2]" 1
1253 1 79 THR H 1 79 THR MG . . 3.260 2.600 2.123 3.332 0.072 4 0 "[ . 1 . 2]" 1
1254 1 79 THR H 1 82 ASP HB2 . . 3.390 2.730 1.845 3.452 0.062 8 0 "[ . 1 . 2]" 1
1255 1 79 THR H 1 82 ASP HB3 . . 4.220 3.402 2.320 4.288 0.068 10 0 "[ . 1 . 2]" 1
1256 1 79 THR HA 1 79 THR MG . . 3.190 2.344 2.150 2.496 . 0 0 "[ . 1 . 2]" 1
1257 1 79 THR HA 1 80 GLU H . . 3.080 2.558 2.319 2.932 . 0 0 "[ . 1 . 2]" 1
1258 1 79 THR HB 1 80 GLU H . . 2.880 2.289 1.950 2.848 . 0 0 "[ . 1 . 2]" 1
1259 1 79 THR HB 1 81 THR H . . 3.000 2.736 2.420 3.046 0.046 17 0 "[ . 1 . 2]" 1
1260 1 79 THR MG 1 80 GLU H . . 3.580 3.579 3.269 3.684 0.104 18 0 "[ . 1 . 2]" 1
1261 1 79 THR MG 1 81 THR H . . 4.220 4.184 3.860 4.337 0.117 4 0 "[ . 1 . 2]" 1
1262 1 79 THR MG 1 82 ASP H . . 5.430 4.204 3.716 4.680 . 0 0 "[ . 1 . 2]" 1
1263 1 80 GLU H 1 80 GLU HB2 . . 3.650 3.622 3.541 3.718 0.068 8 0 "[ . 1 . 2]" 1
1264 1 80 GLU H 1 80 GLU HB3 . . 3.160 2.582 2.344 3.111 . 0 0 "[ . 1 . 2]" 1
1265 1 80 GLU H 1 80 GLU HG2 . . 4.290 2.328 1.871 2.861 . 0 0 "[ . 1 . 2]" 1
1266 1 80 GLU H 1 80 GLU HG3 . . 4.060 3.401 2.779 3.869 . 0 0 "[ . 1 . 2]" 1
1267 1 80 GLU H 1 81 THR H . . 4.040 2.717 2.070 3.121 . 0 0 "[ . 1 . 2]" 1
1268 1 80 GLU HA 1 81 THR H . . 3.600 3.552 3.294 3.648 0.048 4 0 "[ . 1 . 2]" 1
1269 1 80 GLU HA 1 82 ASP H . . 5.500 4.705 4.307 4.981 . 0 0 "[ . 1 . 2]" 1
1270 1 80 GLU HA 1 83 VAL H . . 4.050 3.911 3.540 4.128 0.078 8 0 "[ . 1 . 2]" 1
1271 1 80 GLU HA 1 83 VAL QG . . 3.760 2.277 1.979 3.223 . 0 0 "[ . 1 . 2]" 1
1272 1 80 GLU HB2 1 80 GLU HG2 . . 3.000 3.032 3.009 3.054 0.054 19 0 "[ . 1 . 2]" 1
1273 1 80 GLU HB2 1 81 THR H . . 4.490 4.115 3.803 4.447 . 0 0 "[ . 1 . 2]" 1
1274 1 80 GLU HB3 1 80 GLU HG3 . . 2.930 3.043 2.991 3.063 0.133 4 0 "[ . 1 . 2]" 1
1275 1 80 GLU HB3 1 81 THR H . . 4.570 4.208 4.031 4.500 . 0 0 "[ . 1 . 2]" 1
1276 1 80 GLU HG2 1 81 THR H . . 3.940 2.975 2.055 3.837 . 0 0 "[ . 1 . 2]" 1
1277 1 80 GLU HG3 1 81 THR H . . 3.820 2.855 2.211 3.699 . 0 0 "[ . 1 . 2]" 1
1278 1 81 THR H 1 81 THR HB . . 3.200 2.613 2.325 2.825 . 0 0 "[ . 1 . 2]" 1
1279 1 81 THR H 1 81 THR MG . . 4.240 3.793 3.641 3.899 . 0 0 "[ . 1 . 2]" 1
1280 1 81 THR H 1 82 ASP H . . 3.340 2.481 2.109 2.775 . 0 0 "[ . 1 . 2]" 1
1281 1 81 THR H 1 83 VAL H . . 5.170 3.991 3.414 4.398 . 0 0 "[ . 1 . 2]" 1
1282 1 81 THR HA 1 81 THR MG . . 3.210 2.335 2.162 2.463 . 0 0 "[ . 1 . 2]" 1
1283 1 81 THR HA 1 84 LYS H . . 3.950 3.362 2.932 3.631 . 0 0 "[ . 1 . 2]" 1
1284 1 81 THR HA 1 84 LYS HB2 . . 3.520 2.483 2.116 2.710 . 0 0 "[ . 1 . 2]" 1
1285 1 81 THR HA 1 84 LYS QD . . 4.280 2.984 2.562 3.341 . 0 0 "[ . 1 . 2]" 1
1286 1 81 THR HB 1 82 ASP H . . 3.700 2.778 2.407 3.306 . 0 0 "[ . 1 . 2]" 1
1287 1 81 THR MG 1 82 ASP H . . 4.650 3.770 3.440 4.044 . 0 0 "[ . 1 . 2]" 1
1288 1 81 THR MG 1 82 ASP HA . . 4.320 3.834 3.495 4.329 0.009 19 0 "[ . 1 . 2]" 1
1289 1 81 THR MG 1 84 LYS QD . . 4.210 4.153 3.400 4.322 0.112 2 0 "[ . 1 . 2]" 1
1290 1 81 THR MG 1 85 MET H . . 5.500 4.106 3.906 4.362 . 0 0 "[ . 1 . 2]" 1
1291 1 81 THR MG 1 85 MET HB2 . . 5.500 4.815 4.464 5.275 . 0 0 "[ . 1 . 2]" 1
1292 1 81 THR MG 1 85 MET ME . . 3.110 3.180 2.891 3.240 0.130 10 0 "[ . 1 . 2]" 1
1293 1 81 THR MG 1 85 MET HG2 . . 4.860 3.061 2.872 3.525 . 0 0 "[ . 1 . 2]" 1
1294 1 81 THR MG 1 85 MET HG3 . . 4.070 3.057 2.582 3.791 . 0 0 "[ . 1 . 2]" 1
1295 1 82 ASP H 1 82 ASP HB2 . . 3.370 2.317 2.146 2.636 . 0 0 "[ . 1 . 2]" 1
1296 1 82 ASP H 1 82 ASP HB3 . . 3.920 3.256 2.649 3.686 . 0 0 "[ . 1 . 2]" 1
1297 1 82 ASP H 1 83 VAL H . . 3.490 2.672 2.516 2.829 . 0 0 "[ . 1 . 2]" 1
1298 1 82 ASP H 1 83 VAL HA . . 5.500 5.332 5.219 5.423 . 0 0 "[ . 1 . 2]" 1
1299 1 82 ASP H 1 83 VAL QG . . 4.690 3.765 3.398 4.482 . 0 0 "[ . 1 . 2]" 1
1300 1 82 ASP H 1 84 LYS H . . 5.290 4.267 4.102 4.419 . 0 0 "[ . 1 . 2]" 1
1301 1 82 ASP HA 1 85 MET H . . 4.700 3.448 3.127 4.076 . 0 0 "[ . 1 . 2]" 1
1302 1 82 ASP HA 1 85 MET HB2 . . 4.210 3.028 2.506 3.641 . 0 0 "[ . 1 . 2]" 1
1303 1 82 ASP HA 1 85 MET HB3 . . 5.160 4.522 4.024 5.235 0.075 6 0 "[ . 1 . 2]" 1
1304 1 82 ASP HB2 1 83 VAL H . . 3.710 3.301 2.794 3.785 0.075 2 0 "[ . 1 . 2]" 1
1305 1 82 ASP HB2 1 86 ILE MD . . 5.390 5.036 4.542 5.477 0.087 4 0 "[ . 1 . 2]" 1
1306 1 82 ASP HB3 1 83 VAL H . . 4.390 3.273 2.558 4.017 . 0 0 "[ . 1 . 2]" 1
1307 1 82 ASP HB3 1 86 ILE MD . . 5.210 3.898 3.264 4.451 . 0 0 "[ . 1 . 2]" 1
1308 1 83 VAL H 1 83 VAL QG . . 3.030 2.046 1.804 2.635 . 0 0 "[ . 1 . 2]" 1
1309 1 83 VAL H 1 84 LYS H . . 3.450 2.665 2.487 2.876 . 0 0 "[ . 1 . 2]" 1
1310 1 83 VAL H 1 85 MET H . . 3.980 4.058 4.049 4.065 0.085 6 0 "[ . 1 . 2]" 1
1311 1 83 VAL H 1 86 ILE MD . . 5.500 4.599 4.133 5.167 . 0 0 "[ . 1 . 2]" 1
1312 1 83 VAL HA 1 83 VAL QG . . 3.170 2.228 2.140 2.317 . 0 0 "[ . 1 . 2]" 1
1313 1 83 VAL HA 1 86 ILE MD . . 4.210 2.664 2.236 3.234 . 0 0 "[ . 1 . 2]" 1
1314 1 83 VAL HA 1 86 ILE QG . . 4.270 3.842 3.007 4.337 0.067 9 0 "[ . 1 . 2]" 1
1315 1 83 VAL HB 1 84 LYS H . . 4.150 3.419 2.541 3.683 . 0 0 "[ . 1 . 2]" 1
1316 1 83 VAL HB 1 84 LYS HB2 . . 5.410 5.407 4.670 5.500 0.090 12 0 "[ . 1 . 2]" 1
1317 1 83 VAL QG 1 84 LYS H . . 4.010 2.123 1.950 2.653 . 0 0 "[ . 1 . 2]" 1
1318 1 83 VAL QG 1 84 LYS HA . . 3.750 3.383 3.006 3.701 . 0 0 "[ . 1 . 2]" 1
1319 1 83 VAL QG 1 84 LYS HB2 . . 5.500 3.539 3.071 4.134 . 0 0 "[ . 1 . 2]" 1
1320 1 83 VAL QG 1 84 LYS QD . . 3.900 3.830 3.634 3.976 0.076 15 0 "[ . 1 . 2]" 1
1321 1 83 VAL QG 1 84 LYS QE . . 5.230 2.901 2.087 3.452 . 0 0 "[ . 1 . 2]" 1
1322 1 83 VAL QG 1 86 ILE MD . . 5.090 3.496 3.097 3.996 . 0 0 "[ . 1 . 2]" 1
1323 1 84 LYS H 1 84 LYS HB2 . . 3.000 2.176 1.985 2.422 . 0 0 "[ . 1 . 2]" 1
1324 1 84 LYS H 1 84 LYS HB3 . . 3.570 3.478 3.173 3.578 0.008 10 0 "[ . 1 . 2]" 1
1325 1 84 LYS H 1 84 LYS QD . . 3.810 3.663 3.248 3.896 0.086 20 0 "[ . 1 . 2]" 1
1326 1 84 LYS H 1 84 LYS HG2 . . 4.570 3.876 3.371 4.592 0.022 15 0 "[ . 1 . 2]" 1
1327 1 84 LYS H 1 84 LYS HG3 . . 4.130 2.665 2.144 4.022 . 0 0 "[ . 1 . 2]" 1
1328 1 84 LYS H 1 85 MET H . . 3.410 2.849 2.645 2.956 . 0 0 "[ . 1 . 2]" 1
1329 1 84 LYS HA 1 84 LYS HB3 . . 2.780 2.664 2.547 2.868 0.088 15 0 "[ . 1 . 2]" 1
1330 1 84 LYS HA 1 84 LYS QD . . 4.160 3.983 3.797 4.025 . 0 0 "[ . 1 . 2]" 1
1331 1 84 LYS HA 1 84 LYS HG2 . . 3.190 2.580 2.309 3.254 0.064 1 0 "[ . 1 . 2]" 1
1332 1 84 LYS HA 1 84 LYS HG3 . . 3.240 2.548 2.070 2.867 . 0 0 "[ . 1 . 2]" 1
1333 1 84 LYS HA 1 87 GLU H . . 4.030 3.178 2.708 3.541 . 0 0 "[ . 1 . 2]" 1
1334 1 84 LYS HA 1 87 GLU HB3 . . 4.370 3.744 3.396 4.163 . 0 0 "[ . 1 . 2]" 1
1335 1 84 LYS HA 1 87 GLU HG3 . . 3.560 2.758 2.187 3.629 0.069 1 0 "[ . 1 . 2]" 1
1336 1 84 LYS HB2 1 84 LYS QD . . 2.410 2.302 2.170 2.482 0.072 10 0 "[ . 1 . 2]" 1
1337 1 84 LYS HB2 1 84 LYS QE . . 5.000 3.541 2.370 3.962 . 0 0 "[ . 1 . 2]" 1
1338 1 84 LYS HB2 1 84 LYS HG3 . . 3.050 2.588 2.446 2.927 . 0 0 "[ . 1 . 2]" 1
1339 1 84 LYS HB2 1 85 MET H . . 4.690 3.122 2.912 3.464 . 0 0 "[ . 1 . 2]" 1
1340 1 84 LYS HB3 1 84 LYS QD . . 2.940 2.665 2.545 3.000 0.060 1 0 "[ . 1 . 2]" 1
1341 1 84 LYS HB3 1 84 LYS QE . . 4.170 4.078 3.698 4.259 0.089 14 0 "[ . 1 . 2]" 1
1342 1 84 LYS HB3 1 85 MET H . . 3.720 3.653 2.954 3.788 0.068 18 0 "[ . 1 . 2]" 1
1343 1 84 LYS QD 1 84 LYS HG2 . . 2.400 2.278 2.150 2.375 . 0 0 "[ . 1 . 2]" 1
1344 1 84 LYS QE 1 84 LYS HG2 . . 3.410 2.748 2.304 3.484 0.074 1 0 "[ . 1 . 2]" 1
1345 1 84 LYS QE 1 84 LYS HG3 . . 2.670 2.207 2.032 2.708 0.038 1 0 "[ . 1 . 2]" 1
1346 1 85 MET H 1 85 MET HB2 . . 3.430 2.466 2.400 2.537 . 0 0 "[ . 1 . 2]" 1
1347 1 85 MET H 1 85 MET HB3 . . 3.530 3.598 3.580 3.606 0.076 11 0 "[ . 1 . 2]" 1
1348 1 85 MET H 1 85 MET ME . . 4.450 4.200 3.640 4.549 0.099 6 0 "[ . 1 . 2]" 1
1349 1 85 MET H 1 85 MET HG2 . . 3.510 2.599 2.297 3.035 . 0 0 "[ . 1 . 2]" 1
1350 1 85 MET H 1 85 MET HG3 . . 3.440 2.963 2.488 3.292 . 0 0 "[ . 1 . 2]" 1
1351 1 85 MET H 1 86 ILE H . . 3.610 2.696 2.573 2.805 . 0 0 "[ . 1 . 2]" 1
1352 1 85 MET HA 1 85 MET HG2 . . 2.830 2.494 2.128 2.640 . 0 0 "[ . 1 . 2]" 1
1353 1 85 MET HA 1 85 MET HG3 . . 3.940 3.667 3.292 3.771 . 0 0 "[ . 1 . 2]" 1
1354 1 85 MET HB2 1 85 MET ME . . 4.250 4.064 3.908 4.280 0.030 20 0 "[ . 1 . 2]" 1
1355 1 85 MET HB2 1 85 MET HG2 . . 2.900 2.838 2.687 2.974 0.074 6 0 "[ . 1 . 2]" 1
1356 1 85 MET HB2 1 86 ILE H . . 3.670 2.480 2.211 2.803 . 0 0 "[ . 1 . 2]" 1
1357 1 85 MET HB2 1 86 ILE HA . . 4.410 4.409 4.269 4.487 0.077 6 0 "[ . 1 . 2]" 1
1358 1 85 MET HB2 1 87 GLU H . . 5.500 4.869 4.686 5.143 . 0 0 "[ . 1 . 2]" 1
1359 1 85 MET HB3 1 85 MET ME . . 3.850 3.242 2.808 3.720 . 0 0 "[ . 1 . 2]" 1
1360 1 85 MET ME 1 85 MET HG2 . . 3.220 2.199 2.048 2.273 . 0 0 "[ . 1 . 2]" 1
1361 1 85 MET ME 1 85 MET HG3 . . 3.340 3.178 2.874 3.291 . 0 0 "[ . 1 . 2]" 1
1362 1 86 ILE H 1 86 ILE MD . . 5.300 3.345 3.161 3.508 . 0 0 "[ . 1 . 2]" 1
1363 1 86 ILE H 1 86 ILE QG . . 4.100 2.136 2.061 2.234 . 0 0 "[ . 1 . 2]" 1
1364 1 86 ILE H 1 87 GLU H . . 3.550 2.564 2.363 2.721 . 0 0 "[ . 1 . 2]" 1
1365 1 86 ILE HA 1 87 GLU HG2 . . 5.500 5.613 5.513 6.449 0.949 14 1 "[ . 1 +. 2]" 1
1366 1 86 ILE HA 1 88 ARG H . . 5.500 4.542 4.307 4.786 . 0 0 "[ . 1 . 2]" 1
1367 1 86 ILE HA 1 90 VAL H . . 5.500 4.148 3.953 4.384 . 0 0 "[ . 1 . 2]" 1
1368 1 86 ILE HB 1 87 GLU H . . 3.630 2.650 2.433 2.984 . 0 0 "[ . 1 . 2]" 1
1369 1 86 ILE MD 1 86 ILE MG . . 3.690 2.134 2.077 2.180 . 0 0 "[ . 1 . 2]" 1
1370 1 86 ILE QG 1 87 GLU H . . 4.450 4.055 3.832 4.203 . 0 0 "[ . 1 . 2]" 1
1371 1 86 ILE MG 1 87 GLU H . . 5.440 3.584 3.380 3.971 . 0 0 "[ . 1 . 2]" 1
1372 1 86 ILE MG 1 90 VAL QG . . 3.640 2.091 1.913 2.290 . 0 0 "[ . 1 . 2]" 1
1373 1 87 GLU H 1 87 GLU HG2 . . 5.500 2.654 2.236 3.345 . 0 0 "[ . 1 . 2]" 1
1374 1 87 GLU H 1 87 GLU HG3 . . 5.140 2.935 2.176 3.472 . 0 0 "[ . 1 . 2]" 1
1375 1 87 GLU H 1 88 ARG H . . 3.550 2.864 2.508 2.972 . 0 0 "[ . 1 . 2]" 1
1376 1 87 GLU H 1 89 VAL H . . 4.060 4.137 4.125 4.154 0.094 15 0 "[ . 1 . 2]" 1
1377 1 87 GLU H 1 90 VAL QG . . 5.500 4.405 3.833 4.604 . 0 0 "[ . 1 . 2]" 1
1378 1 87 GLU HA 1 87 GLU HG3 . . 4.100 3.617 2.959 3.903 . 0 0 "[ . 1 . 2]" 1
1379 1 87 GLU HA 1 90 VAL H . . 3.260 3.227 2.565 3.334 0.074 19 0 "[ . 1 . 2]" 1
1380 1 87 GLU HB2 1 87 GLU HG3 . . 2.400 2.284 2.203 2.487 0.087 14 0 "[ . 1 . 2]" 1
1381 1 87 GLU HB2 1 88 ARG H . . 3.110 2.744 2.247 3.176 0.066 18 0 "[ . 1 . 2]" 1
1382 1 88 ARG H 1 88 ARG HB2 . . 3.160 2.104 1.977 2.162 . 0 0 "[ . 1 . 2]" 1
1383 1 88 ARG H 1 88 ARG HB3 . . 3.350 3.381 3.193 3.434 0.084 11 0 "[ . 1 . 2]" 1
1384 1 88 ARG H 1 88 ARG HD2 . . 4.940 3.134 2.231 5.135 0.195 17 0 "[ . 1 . 2]" 1
1385 1 88 ARG H 1 88 ARG HD3 . . 5.100 4.010 3.145 4.924 . 0 0 "[ . 1 . 2]" 1
1386 1 88 ARG H 1 88 ARG HE . . 5.330 4.757 3.621 5.387 0.057 7 0 "[ . 1 . 2]" 1
1387 1 88 ARG H 1 88 ARG QG . . 4.150 3.449 2.533 3.804 . 0 0 "[ . 1 . 2]" 1
1388 1 88 ARG H 1 89 VAL H . . 3.360 2.766 2.599 2.973 . 0 0 "[ . 1 . 2]" 1
1389 1 88 ARG H 1 90 VAL H . . 4.710 4.341 4.173 4.506 . 0 0 "[ . 1 . 2]" 1
1390 1 88 ARG HA 1 88 ARG HD2 . . 3.440 3.083 2.341 4.438 0.998 19 5 "[ .** 1- . * +2]" 1
1391 1 88 ARG HA 1 88 ARG HD3 . . 4.370 3.755 2.743 4.285 . 0 0 "[ . 1 . 2]" 1
1392 1 88 ARG HA 1 88 ARG HE . . 4.480 3.336 2.292 4.301 . 0 0 "[ . 1 . 2]" 1
1393 1 88 ARG HA 1 88 ARG QG . . 3.600 2.283 2.055 2.609 . 0 0 "[ . 1 . 2]" 1
1394 1 88 ARG HA 1 91 GLU H . . 4.120 3.734 3.370 4.059 . 0 0 "[ . 1 . 2]" 1
1395 1 88 ARG HA 1 91 GLU QB . . 2.900 2.718 2.135 2.994 0.094 3 0 "[ . 1 . 2]" 1
1396 1 88 ARG HA 1 91 GLU QG . . 5.010 4.340 3.845 5.009 . 0 0 "[ . 1 . 2]" 1
1397 1 88 ARG HA 1 92 GLN H . . 4.960 4.209 3.939 4.417 . 0 0 "[ . 1 . 2]" 1
1398 1 88 ARG HB2 1 89 VAL H . . 3.990 3.147 2.749 3.369 . 0 0 "[ . 1 . 2]" 1
1399 1 88 ARG HB3 1 88 ARG HD2 . . 3.990 3.403 2.786 3.684 . 0 0 "[ . 1 . 2]" 1
1400 1 88 ARG HB3 1 88 ARG HE . . 5.500 4.518 4.157 4.934 . 0 0 "[ . 1 . 2]" 1
1401 1 88 ARG HB3 1 89 VAL H . . 3.570 3.325 2.976 3.480 . 0 0 "[ . 1 . 2]" 1
1402 1 88 ARG HB3 1 89 VAL HB . . 5.500 4.717 4.014 5.235 . 0 0 "[ . 1 . 2]" 1
1403 1 88 ARG HD2 1 88 ARG HH21 . . 3.990 4.440 4.292 4.586 0.596 18 8 "[ * **- 1 * *+*2]" 1
1404 1 88 ARG HD3 1 88 ARG HH11 . . 4.470 2.321 1.937 3.236 . 0 0 "[ . 1 . 2]" 1
1405 1 88 ARG HD3 1 88 ARG HH21 . . 4.050 4.453 4.204 4.538 0.488 10 0 "[ . 1 . 2]" 1
1406 1 88 ARG QG 1 88 ARG HH11 . . 5.030 3.636 2.378 4.070 . 0 0 "[ . 1 . 2]" 1
1407 1 88 ARG QG 1 88 ARG HH21 . . 5.040 4.049 3.670 4.324 . 0 0 "[ . 1 . 2]" 1
1408 1 88 ARG QG 1 89 VAL H . . 5.190 4.552 4.220 4.700 . 0 0 "[ . 1 . 2]" 1
1409 1 89 VAL H 1 89 VAL HB . . 3.200 2.259 2.092 3.312 0.112 15 0 "[ . 1 . 2]" 1
1410 1 89 VAL H 1 89 VAL QG . . 3.750 2.838 1.927 2.989 . 0 0 "[ . 1 . 2]" 1
1411 1 89 VAL H 1 90 VAL H . . 3.100 2.332 2.224 2.421 . 0 0 "[ . 1 . 2]" 1
1412 1 89 VAL H 1 90 VAL HA . . 5.500 5.000 4.888 5.087 . 0 0 "[ . 1 . 2]" 1
1413 1 89 VAL H 1 90 VAL HB . . 5.500 4.448 4.290 4.789 . 0 0 "[ . 1 . 2]" 1
1414 1 89 VAL H 1 90 VAL QG . . 3.910 3.830 3.635 3.918 0.008 18 0 "[ . 1 . 2]" 1
1415 1 89 VAL H 1 91 GLU H . . 3.650 3.728 3.718 3.742 0.092 15 0 "[ . 1 . 2]" 1
1416 1 89 VAL HA 1 91 GLU H . . 4.590 4.363 4.144 4.567 . 0 0 "[ . 1 . 2]" 1
1417 1 89 VAL HA 1 92 GLN H . . 4.050 3.481 3.224 3.611 . 0 0 "[ . 1 . 2]" 1
1418 1 89 VAL HA 1 92 GLN HB2 . . 3.890 2.715 2.486 3.038 . 0 0 "[ . 1 . 2]" 1
1419 1 89 VAL HA 1 92 GLN HB3 . . 3.960 4.013 3.890 4.044 0.084 10 0 "[ . 1 . 2]" 1
1420 1 89 VAL HA 1 93 MET H . . 4.990 3.967 3.757 4.307 . 0 0 "[ . 1 . 2]" 1
1421 1 89 VAL HB 1 90 VAL H . . 3.460 3.008 2.813 3.537 0.077 15 0 "[ . 1 . 2]" 1
1422 1 89 VAL HB 1 90 VAL QG . . 4.750 3.636 3.332 4.157 . 0 0 "[ . 1 . 2]" 1
1423 1 89 VAL QG 1 90 VAL H . . 3.500 2.672 2.136 2.934 . 0 0 "[ . 1 . 2]" 1
1424 1 89 VAL QG 1 90 VAL HA . . 3.980 3.166 3.009 3.585 . 0 0 "[ . 1 . 2]" 1
1425 1 89 VAL QG 1 90 VAL HB . . 5.130 4.278 3.908 4.519 . 0 0 "[ . 1 . 2]" 1
1426 1 89 VAL QG 1 90 VAL QG . . 2.400 2.427 2.099 2.500 0.100 4 0 "[ . 1 . 2]" 1
1427 1 89 VAL QG 1 91 GLU H . . 5.500 4.492 4.257 4.654 . 0 0 "[ . 1 . 2]" 1
1428 1 89 VAL QG 1 93 MET H . . 5.160 3.927 3.753 4.567 . 0 0 "[ . 1 . 2]" 1
1429 1 89 VAL QG 1 93 MET ME . . 3.250 2.347 2.010 3.252 0.002 15 0 "[ . 1 . 2]" 1
1430 1 89 VAL QG 1 93 MET HG3 . . 4.720 2.813 2.352 3.983 . 0 0 "[ . 1 . 2]" 1
1431 1 90 VAL H 1 90 VAL HB . . 2.940 2.446 2.316 2.784 . 0 0 "[ . 1 . 2]" 1
1432 1 90 VAL H 1 90 VAL QG . . 4.090 2.155 1.957 2.264 . 0 0 "[ . 1 . 2]" 1
1433 1 90 VAL H 1 91 GLU H . . 3.280 2.728 2.615 2.939 . 0 0 "[ . 1 . 2]" 1
1434 1 90 VAL H 1 91 GLU QB . . 5.500 4.446 4.180 4.712 . 0 0 "[ . 1 . 2]" 1
1435 1 90 VAL H 1 93 MET ME . . 4.750 4.347 3.958 4.822 0.072 19 0 "[ . 1 . 2]" 1
1436 1 90 VAL HA 1 90 VAL QG . . 2.970 2.166 2.103 2.235 . 0 0 "[ . 1 . 2]" 1
1437 1 90 VAL HA 1 92 GLN H . . 5.500 4.634 4.365 4.780 . 0 0 "[ . 1 . 2]" 1
1438 1 90 VAL HA 1 93 MET H . . 4.020 3.320 3.126 3.553 . 0 0 "[ . 1 . 2]" 1
1439 1 90 VAL HA 1 93 MET QB . . 3.620 2.422 2.251 2.688 . 0 0 "[ . 1 . 2]" 1
1440 1 90 VAL HA 1 93 MET ME . . 3.260 2.756 2.479 3.321 0.061 15 0 "[ . 1 . 2]" 1
1441 1 90 VAL HA 1 94 CYS H . . 4.180 3.571 3.351 3.800 . 0 0 "[ . 1 . 2]" 1
1442 1 90 VAL HB 1 91 GLU H . . 2.880 2.940 2.922 2.964 0.084 17 0 "[ . 1 . 2]" 1
1443 1 90 VAL QG 1 91 GLU H . . 4.300 3.447 3.386 3.538 . 0 0 "[ . 1 . 2]" 1
1444 1 90 VAL QG 1 93 MET H . . 5.500 4.421 4.266 4.609 . 0 0 "[ . 1 . 2]" 1
1445 1 90 VAL QG 1 93 MET ME . . 3.560 2.758 2.422 3.410 . 0 0 "[ . 1 . 2]" 1
1446 1 90 VAL QG 1 94 CYS H . . 4.480 3.741 3.636 3.997 . 0 0 "[ . 1 . 2]" 1
1447 1 90 VAL QG 1 94 CYS HB3 . . 5.500 4.264 3.877 4.855 . 0 0 "[ . 1 . 2]" 1
1448 1 91 GLU H 1 91 GLU QB . . 3.120 2.180 1.947 2.433 . 0 0 "[ . 1 . 2]" 1
1449 1 91 GLU H 1 91 GLU QG . . 3.610 3.292 2.643 3.722 0.112 3 0 "[ . 1 . 2]" 1
1450 1 91 GLU H 1 92 GLN H . . 3.430 2.876 2.791 3.003 . 0 0 "[ . 1 . 2]" 1
1451 1 91 GLU HA 1 91 GLU QB . . 2.660 2.504 2.430 2.581 . 0 0 "[ . 1 . 2]" 1
1452 1 91 GLU HA 1 91 GLU QG . . 3.320 2.265 2.161 2.407 . 0 0 "[ . 1 . 2]" 1
1453 1 91 GLU HA 1 94 CYS H . . 3.910 3.649 3.434 3.835 . 0 0 "[ . 1 . 2]" 1
1454 1 91 GLU QB 1 91 GLU QG . . 2.400 2.090 2.047 2.121 . 0 0 "[ . 1 . 2]" 1
1455 1 91 GLU QB 1 92 GLN H . . 3.340 2.336 2.136 2.486 . 0 0 "[ . 1 . 2]" 1
1456 1 91 GLU QB 1 95 ILE MD . . 3.770 3.076 2.299 3.871 0.101 9 0 "[ . 1 . 2]" 1
1457 1 91 GLU QG 1 94 CYS HB3 . . 4.520 4.508 4.007 5.426 0.906 20 2 "[ - . 1 . +]" 1
1458 1 91 GLU QG 1 95 ILE MD . . 3.410 3.051 2.244 3.527 0.117 18 0 "[ . 1 . 2]" 1
1459 1 92 GLN H 1 92 GLN HB2 . . 3.100 2.079 1.909 2.226 . 0 0 "[ . 1 . 2]" 1
1460 1 92 GLN H 1 92 GLN HB3 . . 3.420 3.378 3.109 3.486 0.066 15 0 "[ . 1 . 2]" 1
1461 1 92 GLN H 1 92 GLN HG2 . . 3.640 3.154 2.654 3.574 . 0 0 "[ . 1 . 2]" 1
1462 1 92 GLN H 1 92 GLN HG3 . . 3.880 3.749 3.311 3.963 0.083 19 0 "[ . 1 . 2]" 1
1463 1 92 GLN H 1 93 MET H . . 3.420 2.865 2.713 2.964 . 0 0 "[ . 1 . 2]" 1
1464 1 92 GLN H 1 93 MET HG3 . . 5.240 4.931 4.667 5.198 . 0 0 "[ . 1 . 2]" 1
1465 1 92 GLN H 1 95 ILE MD . . 4.630 3.780 3.547 4.006 . 0 0 "[ . 1 . 2]" 1
1466 1 92 GLN HA 1 92 GLN HB3 . . 2.940 2.775 2.666 2.919 . 0 0 "[ . 1 . 2]" 1
1467 1 92 GLN HA 1 92 GLN HE21 . . 4.850 2.417 1.926 3.165 . 0 0 "[ . 1 . 2]" 1
1468 1 92 GLN HA 1 92 GLN HE22 . . 5.500 3.708 3.201 4.180 . 0 0 "[ . 1 . 2]" 1
1469 1 92 GLN HA 1 92 GLN HG2 . . 3.200 2.425 2.219 3.029 . 0 0 "[ . 1 . 2]" 1
1470 1 92 GLN HA 1 92 GLN HG3 . . 4.090 3.582 3.504 3.698 . 0 0 "[ . 1 . 2]" 1
1471 1 92 GLN HA 1 94 CYS H . . 4.960 4.577 4.320 4.752 . 0 0 "[ . 1 . 2]" 1
1472 1 92 GLN HA 1 95 ILE H . . 4.090 3.598 3.464 3.852 . 0 0 "[ . 1 . 2]" 1
1473 1 92 GLN HA 1 95 ILE HB . . 3.610 2.859 2.758 2.995 . 0 0 "[ . 1 . 2]" 1
1474 1 92 GLN HA 1 95 ILE MD . . 3.270 2.178 2.018 2.401 . 0 0 "[ . 1 . 2]" 1
1475 1 92 GLN HA 1 95 ILE MG . . 4.090 4.154 4.028 4.188 0.098 20 0 "[ . 1 . 2]" 1
1476 1 92 GLN HB2 1 92 GLN HE21 . . 4.200 4.112 3.616 4.284 0.084 2 0 "[ . 1 . 2]" 1
1477 1 92 GLN HB2 1 92 GLN HE22 . . 5.340 5.064 4.654 5.248 . 0 0 "[ . 1 . 2]" 1
1478 1 92 GLN HB2 1 92 GLN HG2 . . 2.940 2.632 2.405 2.792 . 0 0 "[ . 1 . 2]" 1
1479 1 92 GLN HB2 1 92 GLN HG3 . . 2.620 2.295 2.227 2.531 . 0 0 "[ . 1 . 2]" 1
1480 1 92 GLN HB2 1 93 MET H . . 4.160 2.926 2.710 3.199 . 0 0 "[ . 1 . 2]" 1
1481 1 92 GLN HB3 1 92 GLN HG2 . . 2.980 3.021 2.988 3.039 0.059 20 0 "[ . 1 . 2]" 1
1482 1 92 GLN HB3 1 92 GLN HG3 . . 2.770 2.599 2.367 2.752 . 0 0 "[ . 1 . 2]" 1
1483 1 92 GLN HB3 1 93 MET H . . 4.230 3.057 2.712 3.293 . 0 0 "[ . 1 . 2]" 1
1484 1 92 GLN HB3 1 95 ILE MD . . 4.780 4.693 4.475 4.847 0.067 15 0 "[ . 1 . 2]" 1
1485 1 92 GLN HE21 1 92 GLN HG2 . . 3.590 2.665 2.139 3.649 0.059 12 0 "[ . 1 . 2]" 1
1486 1 92 GLN HE21 1 95 ILE MD . . 4.420 3.284 2.388 4.500 0.080 6 0 "[ . 1 . 2]" 1
1487 1 92 GLN HE22 1 95 ILE MD . . 4.780 4.305 2.975 4.873 0.093 8 0 "[ . 1 . 2]" 1
1488 1 92 GLN HG2 1 95 ILE MD . . 5.200 3.498 3.115 3.840 . 0 0 "[ . 1 . 2]" 1
1489 1 92 GLN HG3 1 93 MET H . . 5.500 5.060 4.887 5.244 . 0 0 "[ . 1 . 2]" 1
1490 1 92 GLN HG3 1 95 ILE MD . . 5.500 4.882 4.541 5.159 . 0 0 "[ . 1 . 2]" 1
1491 1 93 MET H 1 93 MET QB . . 3.030 2.378 2.201 2.491 . 0 0 "[ . 1 . 2]" 1
1492 1 93 MET H 1 93 MET ME . . 4.000 4.017 3.847 4.100 0.100 19 0 "[ . 1 . 2]" 1
1493 1 93 MET H 1 93 MET HG2 . . 3.800 3.405 3.142 3.865 0.065 5 0 "[ . 1 . 2]" 1
1494 1 93 MET H 1 93 MET HG3 . . 3.570 2.516 2.302 2.709 . 0 0 "[ . 1 . 2]" 1
1495 1 93 MET H 1 94 CYS H . . 3.390 2.736 2.557 2.812 . 0 0 "[ . 1 . 2]" 1
1496 1 93 MET H 1 94 CYS HA . . 5.500 5.351 5.196 5.445 . 0 0 "[ . 1 . 2]" 1
1497 1 93 MET H 1 94 CYS HB3 . . 5.500 5.246 4.724 6.238 0.738 10 5 "[ *-. + . **]" 1
1498 1 93 MET H 1 95 ILE H . . 4.590 4.285 4.189 4.428 . 0 0 "[ . 1 . 2]" 1
1499 1 93 MET HA 1 93 MET ME . . 4.400 4.396 4.137 4.491 0.091 2 0 "[ . 1 . 2]" 1
1500 1 93 MET HA 1 93 MET HG2 . . 3.350 2.341 2.200 2.719 . 0 0 "[ . 1 . 2]" 1
1501 1 93 MET HA 1 96 THR H . . 3.790 3.360 3.108 3.553 . 0 0 "[ . 1 . 2]" 1
1502 1 93 MET HA 1 96 THR HB . . 2.590 2.482 2.246 2.659 0.069 3 0 "[ . 1 . 2]" 1
1503 1 93 MET HA 1 96 THR MG . . 4.290 3.846 3.627 4.048 . 0 0 "[ . 1 . 2]" 1
1504 1 93 MET HA 1 97 GLN H . . 5.500 3.928 3.764 4.125 . 0 0 "[ . 1 . 2]" 1
1505 1 93 MET QB 1 93 MET ME . . 3.180 2.146 2.027 2.258 . 0 0 "[ . 1 . 2]" 1
1506 1 93 MET QB 1 94 CYS H . . 3.610 2.722 2.571 2.886 . 0 0 "[ . 1 . 2]" 1
1507 1 93 MET QB 1 95 ILE H . . 5.500 4.882 4.764 5.082 . 0 0 "[ . 1 . 2]" 1
1508 1 93 MET ME 1 93 MET HG3 . . 4.020 2.733 2.445 3.411 . 0 0 "[ . 1 . 2]" 1
1509 1 94 CYS H 1 94 CYS HB2 . . 3.740 2.470 1.904 2.652 . 0 0 "[ . 1 . 2]" 1
1510 1 94 CYS H 1 94 CYS HB3 . . 3.130 2.796 2.386 3.546 0.416 10 0 "[ . 1 . 2]" 1
1511 1 94 CYS H 1 95 ILE H . . 3.560 2.790 2.687 2.896 . 0 0 "[ . 1 . 2]" 1
1512 1 94 CYS H 1 95 ILE HB . . 5.500 4.877 4.690 5.035 . 0 0 "[ . 1 . 2]" 1
1513 1 94 CYS H 1 95 ILE HG13 . . 5.160 4.698 4.480 4.997 . 0 0 "[ . 1 . 2]" 1
1514 1 94 CYS HA 1 97 GLN H . . 3.950 3.487 3.271 3.617 . 0 0 "[ . 1 . 2]" 1
1515 1 94 CYS HA 1 97 GLN HB2 . . 4.550 3.232 2.357 3.797 . 0 0 "[ . 1 . 2]" 1
1516 1 94 CYS HA 1 97 GLN HB3 . . 4.280 2.999 2.691 4.287 0.007 4 0 "[ . 1 . 2]" 1
1517 1 94 CYS HA 1 98 TYR H . . 5.180 4.084 3.874 4.264 . 0 0 "[ . 1 . 2]" 1
1518 1 94 CYS HB2 1 95 ILE H . . 4.530 3.533 2.599 4.046 . 0 0 "[ . 1 . 2]" 1
1519 1 94 CYS HB3 1 95 ILE H . . 3.660 2.737 2.358 3.373 . 0 0 "[ . 1 . 2]" 1
1520 1 95 ILE H 1 95 ILE HB . . 3.070 2.427 2.319 2.535 . 0 0 "[ . 1 . 2]" 1
1521 1 95 ILE H 1 95 ILE MD . . 3.820 3.046 2.916 3.171 . 0 0 "[ . 1 . 2]" 1
1522 1 95 ILE H 1 95 ILE HG12 . . 4.100 3.719 3.639 3.834 . 0 0 "[ . 1 . 2]" 1
1523 1 95 ILE H 1 95 ILE HG13 . . 3.110 2.295 2.201 2.464 . 0 0 "[ . 1 . 2]" 1
1524 1 95 ILE H 1 95 ILE MG . . 3.800 3.761 3.736 3.804 0.004 20 0 "[ . 1 . 2]" 1
1525 1 95 ILE HA 1 95 ILE MD . . 4.120 3.889 3.853 3.932 . 0 0 "[ . 1 . 2]" 1
1526 1 95 ILE HA 1 95 ILE HG12 . . 3.480 2.860 2.749 3.001 . 0 0 "[ . 1 . 2]" 1
1527 1 95 ILE HA 1 95 ILE HG13 . . 3.430 2.709 2.621 2.804 . 0 0 "[ . 1 . 2]" 1
1528 1 95 ILE HA 1 95 ILE MG . . 3.180 2.477 2.376 2.547 . 0 0 "[ . 1 . 2]" 1
1529 1 95 ILE HA 1 98 TYR H . . 4.310 3.343 3.092 3.589 . 0 0 "[ . 1 . 2]" 1
1530 1 95 ILE HA 1 98 TYR HB2 . . 4.610 4.486 4.135 4.682 0.072 13 0 "[ . 1 . 2]" 1
1531 1 95 ILE HA 1 98 TYR HB3 . . 4.030 2.806 2.477 3.057 . 0 0 "[ . 1 . 2]" 1
1532 1 95 ILE HB 1 95 ILE MD . . 2.760 2.177 2.119 2.234 . 0 0 "[ . 1 . 2]" 1
1533 1 95 ILE HB 1 96 THR H . . 4.000 2.514 2.413 2.665 . 0 0 "[ . 1 . 2]" 1
1534 1 95 ILE MD 1 96 THR H . . 4.090 4.189 4.178 4.201 0.111 10 0 "[ . 1 . 2]" 1
1535 1 95 ILE HG12 1 95 ILE MG . . 2.400 2.237 2.159 2.321 . 0 0 "[ . 1 . 2]" 1
1536 1 95 ILE MG 1 96 THR H . . 4.360 3.276 3.001 3.476 . 0 0 "[ . 1 . 2]" 1
1537 1 95 ILE MG 1 96 THR HA . . 4.450 3.547 3.323 3.740 . 0 0 "[ . 1 . 2]" 1
1538 1 95 ILE MG 1 98 TYR QD . . 4.190 2.790 2.372 3.098 . 0 0 "[ . 1 . 2]" 1
1539 1 95 ILE MG 1 98 TYR QE . . 3.510 3.005 2.634 3.547 0.037 16 0 "[ . 1 . 2]" 1
1540 1 95 ILE MG 1 99 GLN HE21 . . 4.270 3.231 2.068 4.367 0.097 20 0 "[ . 1 . 2]" 1
1541 1 95 ILE MG 1 99 GLN HE22 . . 4.400 4.005 2.867 4.494 0.094 13 0 "[ . 1 . 2]" 1
1542 1 95 ILE MG 1 99 GLN HG2 . . 4.130 3.767 2.985 4.152 0.022 6 0 "[ . 1 . 2]" 1
1543 1 95 ILE MG 1 99 GLN HG3 . . 4.160 2.677 2.316 2.989 . 0 0 "[ . 1 . 2]" 1
1544 1 96 THR H 1 96 THR HB . . 3.440 2.587 2.424 2.750 . 0 0 "[ . 1 . 2]" 1
1545 1 96 THR H 1 96 THR MG . . 3.780 3.772 3.705 3.830 0.050 10 0 "[ . 1 . 2]" 1
1546 1 96 THR H 1 97 GLN H . . 3.510 2.888 2.577 3.153 . 0 0 "[ . 1 . 2]" 1
1547 1 96 THR H 1 97 GLN HA . . 5.500 5.471 5.229 5.562 0.062 4 0 "[ . 1 . 2]" 1
1548 1 96 THR H 1 97 GLN HB3 . . 5.500 5.348 5.005 6.416 0.916 4 1 "[ +. 1 . 2]" 1
1549 1 96 THR H 1 98 TYR H . . 4.450 4.359 4.087 4.496 0.046 2 0 "[ . 1 . 2]" 1
1550 1 96 THR HA 1 96 THR MG . . 3.260 2.428 2.376 2.496 . 0 0 "[ . 1 . 2]" 1
1551 1 96 THR HA 1 99 GLN H . . 5.500 3.426 3.089 3.704 . 0 0 "[ . 1 . 2]" 1
1552 1 96 THR HA 1 99 GLN HB2 . . 3.770 2.483 2.360 2.653 . 0 0 "[ . 1 . 2]" 1
1553 1 96 THR HA 1 99 GLN HB3 . . 3.880 3.955 3.920 3.968 0.088 4 0 "[ . 1 . 2]" 1
1554 1 96 THR HA 1 99 GLN HG3 . . 5.500 3.281 2.381 3.799 . 0 0 "[ . 1 . 2]" 1
1555 1 96 THR HB 1 97 GLN H . . 3.310 2.782 2.473 3.109 . 0 0 "[ . 1 . 2]" 1
1556 1 96 THR MG 1 97 GLN H . . 4.290 3.713 3.547 3.971 . 0 0 "[ . 1 . 2]" 1
1557 1 96 THR MG 1 97 GLN HA . . 4.980 3.849 3.660 4.118 . 0 0 "[ . 1 . 2]" 1
1558 1 97 GLN H 1 97 GLN HB2 . . 3.220 2.326 2.037 2.528 . 0 0 "[ . 1 . 2]" 1
1559 1 97 GLN H 1 97 GLN HB3 . . 3.410 2.713 2.458 3.321 . 0 0 "[ . 1 . 2]" 1
1560 1 97 GLN H 1 97 GLN HG2 . . 4.900 4.342 2.487 4.610 . 0 0 "[ . 1 . 2]" 1
1561 1 97 GLN H 1 97 GLN HG3 . . 5.080 4.415 3.702 4.694 . 0 0 "[ . 1 . 2]" 1
1562 1 97 GLN H 1 98 TYR H . . 3.500 2.692 2.532 2.905 . 0 0 "[ . 1 . 2]" 1
1563 1 97 GLN H 1 99 GLN H . . 4.560 3.921 3.687 4.079 . 0 0 "[ . 1 . 2]" 1
1564 1 97 GLN HA 1 97 GLN HE21 . . 4.480 3.658 2.173 4.565 0.085 1 0 "[ . 1 . 2]" 1
1565 1 97 GLN HA 1 97 GLN HE22 . . 4.260 3.898 3.240 4.541 0.281 6 0 "[ . 1 . 2]" 1
1566 1 97 GLN HA 1 97 GLN HG3 . . 3.570 3.142 2.460 3.698 0.128 4 0 "[ . 1 . 2]" 1
1567 1 97 GLN HB2 1 98 TYR H . . 4.060 3.690 2.487 3.992 . 0 0 "[ . 1 . 2]" 1
1568 1 97 GLN HB3 1 97 GLN HG2 . . 3.000 2.559 2.313 3.052 0.052 10 0 "[ . 1 . 2]" 1
1569 1 97 GLN HB3 1 98 TYR H . . 3.220 2.659 2.375 3.288 0.068 4 0 "[ . 1 . 2]" 1
1570 1 97 GLN HB3 1 98 TYR HA . . 4.100 4.112 3.834 4.181 0.081 16 0 "[ . 1 . 2]" 1
1571 1 97 GLN HE22 1 97 GLN HG3 . . 4.070 3.650 3.495 4.112 0.042 10 0 "[ . 1 . 2]" 1
1572 1 98 TYR H 1 98 TYR HB2 . . 3.430 3.134 2.980 3.259 . 0 0 "[ . 1 . 2]" 1
1573 1 98 TYR H 1 98 TYR HB3 . . 3.570 2.017 1.924 2.088 . 0 0 "[ . 1 . 2]" 1
1574 1 98 TYR H 1 98 TYR QD . . 4.360 3.381 3.323 3.455 . 0 0 "[ . 1 . 2]" 1
1575 1 98 TYR H 1 98 TYR QE . . 5.460 5.555 5.524 5.567 0.107 5 0 "[ . 1 . 2]" 1
1576 1 98 TYR H 1 99 GLN H . . 3.600 2.574 2.411 2.702 . 0 0 "[ . 1 . 2]" 1
1577 1 98 TYR H 1 99 GLN HB2 . . 4.850 4.490 4.285 4.631 . 0 0 "[ . 1 . 2]" 1
1578 1 98 TYR HA 1 98 TYR QD . . 3.580 3.384 3.151 3.554 . 0 0 "[ . 1 . 2]" 1
1579 1 98 TYR HB2 1 99 GLN H . . 4.690 4.466 4.317 4.584 . 0 0 "[ . 1 . 2]" 1
1580 1 98 TYR HB3 1 99 GLN H . . 4.050 3.515 3.249 3.762 . 0 0 "[ . 1 . 2]" 1
1581 1 98 TYR QD 1 99 GLN H . . 3.830 3.062 2.633 3.532 . 0 0 "[ . 1 . 2]" 1
1582 1 98 TYR QD 1 99 GLN HA . . 5.500 3.737 3.098 4.216 . 0 0 "[ . 1 . 2]" 1
1583 1 98 TYR QD 1 99 GLN HG2 . . 5.240 3.872 3.010 4.970 . 0 0 "[ . 1 . 2]" 1
1584 1 98 TYR QD 1 99 GLN HG3 . . 5.030 3.199 2.537 4.305 . 0 0 "[ . 1 . 2]" 1
1585 1 98 TYR QD 1 102 TYR HB2 . . 4.530 3.588 3.387 3.846 . 0 0 "[ . 1 . 2]" 1
1586 1 98 TYR QE 1 99 GLN HA . . 4.770 4.135 3.512 4.827 0.057 12 0 "[ . 1 . 2]" 1
1587 1 98 TYR QE 1 99 GLN HG2 . . 5.500 3.749 2.990 5.038 . 0 0 "[ . 1 . 2]" 1
1588 1 98 TYR QE 1 99 GLN HG3 . . 5.500 3.791 3.129 4.977 . 0 0 "[ . 1 . 2]" 1
1589 1 98 TYR QE 1 102 TYR HB2 . . 5.320 2.956 2.665 3.182 . 0 0 "[ . 1 . 2]" 1
1590 1 98 TYR QE 1 102 TYR HB3 . . 4.880 4.143 3.939 4.407 . 0 0 "[ . 1 . 2]" 1
1591 1 98 TYR QE 1 102 TYR QD . . 3.660 3.344 2.874 3.672 0.012 15 0 "[ . 1 . 2]" 1
1592 1 99 GLN H 1 99 GLN HB2 . . 3.800 2.175 1.998 2.264 . 0 0 "[ . 1 . 2]" 1
1593 1 99 GLN H 1 99 GLN HB3 . . 3.440 3.459 3.336 3.504 0.064 3 0 "[ . 1 . 2]" 1
1594 1 99 GLN H 1 99 GLN HG2 . . 3.720 3.639 2.992 3.800 0.080 19 0 "[ . 1 . 2]" 1
1595 1 99 GLN H 1 99 GLN HG3 . . 3.430 2.929 2.645 3.482 0.052 13 0 "[ . 1 . 2]" 1
1596 1 99 GLN H 1 100 LYS H . . 2.800 2.840 2.736 2.873 0.073 7 0 "[ . 1 . 2]" 1
1597 1 99 GLN H 1 100 LYS HA . . 5.500 5.378 5.280 5.427 . 0 0 "[ . 1 . 2]" 1
1598 1 99 GLN H 1 100 LYS QG . . 4.140 4.091 3.916 4.131 . 0 0 "[ . 1 . 2]" 1
1599 1 99 GLN H 1 101 GLU H . . 4.340 4.254 4.127 4.404 0.064 8 0 "[ . 1 . 2]" 1
1600 1 99 GLN H 1 102 TYR HB2 . . 5.500 4.889 4.569 5.340 . 0 0 "[ . 1 . 2]" 1
1601 1 99 GLN HA 1 99 GLN HG2 . . 3.600 2.207 2.046 2.389 . 0 0 "[ . 1 . 2]" 1
1602 1 99 GLN HA 1 99 GLN HG3 . . 3.920 2.968 2.665 3.505 . 0 0 "[ . 1 . 2]" 1
1603 1 99 GLN HA 1 102 TYR H . . 5.500 3.011 2.725 3.497 . 0 0 "[ . 1 . 2]" 1
1604 1 99 GLN HA 1 102 TYR HA . . 4.820 4.777 4.430 4.904 0.084 3 0 "[ . 1 . 2]" 1
1605 1 99 GLN HA 1 102 TYR QD . . 5.500 3.200 2.535 3.632 . 0 0 "[ . 1 . 2]" 1
1606 1 99 GLN HA 1 103 GLU H . . 4.560 3.556 3.107 4.132 . 0 0 "[ . 1 . 2]" 1
1607 1 99 GLN HB2 1 99 GLN HE21 . . 4.450 4.184 2.645 4.533 0.083 17 0 "[ . 1 . 2]" 1
1608 1 99 GLN HB3 1 99 GLN HG2 . . 2.880 2.621 2.422 2.964 0.084 13 0 "[ . 1 . 2]" 1
1609 1 99 GLN HB3 1 102 TYR QD . . 4.470 4.288 3.750 4.552 0.082 12 0 "[ . 1 . 2]" 1
1610 1 99 GLN HG2 1 102 TYR QD . . 3.150 2.942 2.375 3.231 0.081 13 0 "[ . 1 . 2]" 1
1611 1 99 GLN HG3 1 102 TYR QD . . 4.620 4.464 3.973 4.699 0.079 1 0 "[ . 1 . 2]" 1
1612 1 100 LYS H 1 100 LYS HB2 . . 4.200 2.462 2.382 2.614 . 0 0 "[ . 1 . 2]" 1
1613 1 100 LYS H 1 100 LYS QG . . 4.380 2.340 2.171 2.532 . 0 0 "[ . 1 . 2]" 1
1614 1 100 LYS H 1 101 GLU H . . 3.390 2.297 2.067 2.489 . 0 0 "[ . 1 . 2]" 1
1615 1 100 LYS H 1 101 GLU HG2 . . 3.670 3.563 2.920 3.749 0.079 20 0 "[ . 1 . 2]" 1
1616 1 100 LYS H 1 101 GLU HG3 . . 4.340 4.415 4.277 4.435 0.095 7 0 "[ . 1 . 2]" 1
1617 1 100 LYS HB2 1 101 GLU H . . 3.600 3.150 2.716 3.463 . 0 0 "[ . 1 . 2]" 1
1618 1 100 LYS HB3 1 101 GLU H . . 4.680 4.095 3.799 4.292 . 0 0 "[ . 1 . 2]" 1
1619 1 101 GLU H 1 101 GLU HB2 . . 3.890 2.609 2.334 3.667 . 0 0 "[ . 1 . 2]" 1
1620 1 101 GLU H 1 101 GLU HB3 . . 3.790 3.555 3.277 3.660 . 0 0 "[ . 1 . 2]" 1
1621 1 101 GLU H 1 101 GLU HG2 . . 3.300 2.431 1.970 2.753 . 0 0 "[ . 1 . 2]" 1
1622 1 101 GLU H 1 101 GLU HG3 . . 3.440 3.219 2.555 3.506 0.066 11 0 "[ . 1 . 2]" 1
1623 1 101 GLU H 1 102 TYR H . . 3.690 2.047 1.829 2.351 . 0 0 "[ . 1 . 2]" 1
1624 1 101 GLU H 1 102 TYR HA . . 5.500 4.760 4.605 5.022 . 0 0 "[ . 1 . 2]" 1
1625 1 101 GLU H 1 102 TYR HB2 . . 4.850 4.296 4.044 4.668 . 0 0 "[ . 1 . 2]" 1
1626 1 101 GLU H 1 102 TYR HB3 . . 4.310 3.969 3.612 4.364 0.054 20 0 "[ . 1 . 2]" 1
1627 1 101 GLU H 1 103 GLU H . . 4.250 3.735 3.413 4.072 . 0 0 "[ . 1 . 2]" 1
1628 1 101 GLU HA 1 101 GLU HG2 . . 3.700 3.018 2.644 3.687 . 0 0 "[ . 1 . 2]" 1
1629 1 101 GLU HA 1 103 GLU H . . 5.500 4.466 4.207 4.832 . 0 0 "[ . 1 . 2]" 1
1630 1 101 GLU HA 1 104 ALA H . . 3.630 3.595 3.342 3.710 0.080 10 0 "[ . 1 . 2]" 1
1631 1 101 GLU HA 1 104 ALA MB . . 3.380 2.797 2.412 3.291 . 0 0 "[ . 1 . 2]" 1
1632 1 101 GLU HB2 1 102 TYR H . . 4.240 2.691 2.257 3.727 . 0 0 "[ . 1 . 2]" 1
1633 1 101 GLU HB3 1 101 GLU HG3 . . 2.880 2.753 2.559 3.029 0.149 3 0 "[ . 1 . 2]" 1
1634 1 101 GLU HB3 1 102 TYR H . . 4.230 3.810 3.606 4.219 . 0 0 "[ . 1 . 2]" 1
1635 1 102 TYR H 1 102 TYR HB3 . . 3.360 2.362 2.244 2.482 . 0 0 "[ . 1 . 2]" 1
1636 1 102 TYR H 1 102 TYR QD . . 4.210 4.140 4.087 4.193 . 0 0 "[ . 1 . 2]" 1
1637 1 102 TYR H 1 103 GLU H . . 3.760 2.765 2.621 2.949 . 0 0 "[ . 1 . 2]" 1
1638 1 102 TYR H 1 103 GLU QB . . 4.730 4.795 4.510 4.822 0.092 19 0 "[ . 1 . 2]" 1
1639 1 102 TYR H 1 103 GLU QG . . 5.500 4.288 3.664 4.800 . 0 0 "[ . 1 . 2]" 1
1640 1 102 TYR HA 1 102 TYR QD . . 3.090 2.446 2.327 2.574 . 0 0 "[ . 1 . 2]" 1
1641 1 102 TYR HA 1 104 ALA H . . 5.100 3.927 3.686 4.149 . 0 0 "[ . 1 . 2]" 1
1642 1 102 TYR HA 1 105 TYR H . . 3.960 3.228 3.066 3.483 . 0 0 "[ . 1 . 2]" 1
1643 1 102 TYR HA 1 105 TYR HB2 . . 3.710 3.735 3.597 3.787 0.077 19 0 "[ . 1 . 2]" 1
1644 1 102 TYR HA 1 105 TYR HB3 . . 4.210 2.221 2.098 2.333 . 0 0 "[ . 1 . 2]" 1
1645 1 102 TYR HA 1 105 TYR QD . . 3.440 2.470 2.292 2.717 . 0 0 "[ . 1 . 2]" 1
1646 1 102 TYR HA 1 105 TYR QE . . 4.420 4.432 4.229 4.520 0.100 15 0 "[ . 1 . 2]" 1
1647 1 102 TYR HA 1 106 ALA H . . 3.790 3.675 3.423 3.860 0.070 3 0 "[ . 1 . 2]" 1
1648 1 102 TYR HB2 1 103 GLU H . . 4.100 3.834 3.729 3.970 . 0 0 "[ . 1 . 2]" 1
1649 1 102 TYR HB3 1 103 GLU H . . 3.470 2.434 2.244 2.671 . 0 0 "[ . 1 . 2]" 1
1650 1 102 TYR QD 1 103 GLU H . . 4.060 3.578 3.143 3.998 . 0 0 "[ . 1 . 2]" 1
1651 1 102 TYR QD 1 103 GLU HA . . 3.910 3.905 3.358 4.006 0.096 15 0 "[ . 1 . 2]" 1
1652 1 102 TYR QD 1 103 GLU QB . . 4.580 4.005 3.322 4.547 . 0 0 "[ . 1 . 2]" 1
1653 1 102 TYR QD 1 104 ALA H . . 5.500 5.310 4.911 5.588 0.088 1 0 "[ . 1 . 2]" 1
1654 1 102 TYR QD 1 105 TYR HB2 . . 5.080 5.144 5.030 5.173 0.093 15 0 "[ . 1 . 2]" 1
1655 1 102 TYR QD 1 105 TYR HB3 . . 3.790 3.834 3.568 3.873 0.083 9 0 "[ . 1 . 2]" 1
1656 1 102 TYR QD 1 106 ALA H . . 5.180 4.243 3.363 4.712 . 0 0 "[ . 1 . 2]" 1
1657 1 103 GLU H 1 103 GLU QB . . 2.980 2.352 2.242 2.467 . 0 0 "[ . 1 . 2]" 1
1658 1 103 GLU H 1 103 GLU QG . . 3.920 2.323 2.068 2.728 . 0 0 "[ . 1 . 2]" 1
1659 1 103 GLU H 1 104 ALA H . . 3.350 2.698 2.571 2.794 . 0 0 "[ . 1 . 2]" 1
1660 1 103 GLU H 1 104 ALA MB . . 4.310 4.318 4.116 4.393 0.083 15 0 "[ . 1 . 2]" 1
1661 1 103 GLU HA 1 103 GLU QB . . 2.730 2.221 2.118 2.461 . 0 0 "[ . 1 . 2]" 1
1662 1 103 GLU HA 1 106 ALA H . . 4.070 3.888 3.599 4.138 0.068 2 0 "[ . 1 . 2]" 1
1663 1 103 GLU QB 1 104 ALA H . . 4.240 3.607 3.098 3.895 . 0 0 "[ . 1 . 2]" 1
1664 1 103 GLU QB 1 104 ALA MB . . 4.490 4.420 3.894 4.611 0.121 19 0 "[ . 1 . 2]" 1
1665 1 103 GLU QB 1 105 TYR H . . 5.500 5.126 4.745 5.351 . 0 0 "[ . 1 . 2]" 1
1666 1 103 GLU QG 1 104 ALA H . . 4.550 3.090 2.160 4.413 . 0 0 "[ . 1 . 2]" 1
1667 1 104 ALA H 1 104 ALA MB . . 2.770 2.295 2.175 2.405 . 0 0 "[ . 1 . 2]" 1
1668 1 104 ALA H 1 105 TYR H . . 3.180 2.177 1.956 2.379 . 0 0 "[ . 1 . 2]" 1
1669 1 104 ALA H 1 105 TYR HB2 . . 5.150 4.854 4.506 5.212 0.062 9 0 "[ . 1 . 2]" 1
1670 1 104 ALA H 1 105 TYR HB3 . . 5.500 3.758 3.433 4.036 . 0 0 "[ . 1 . 2]" 1
1671 1 104 ALA H 1 105 TYR QD . . 5.160 4.968 4.700 5.188 0.028 20 0 "[ . 1 . 2]" 1
1672 1 104 ALA H 1 106 ALA H . . 3.900 3.911 3.616 3.974 0.074 8 0 "[ . 1 . 2]" 1
1673 1 104 ALA HA 1 106 ALA H . . 5.320 4.710 3.968 5.152 . 0 0 "[ . 1 . 2]" 1
1674 1 104 ALA MB 1 105 TYR H . . 3.260 2.858 2.584 3.325 0.065 12 0 "[ . 1 . 2]" 1
1675 1 104 ALA MB 1 105 TYR HA . . 4.090 4.007 3.777 4.189 0.099 16 0 "[ . 1 . 2]" 1
1676 1 105 TYR H 1 105 TYR HB2 . . 3.190 2.946 2.679 3.245 0.055 12 0 "[ . 1 . 2]" 1
1677 1 105 TYR H 1 105 TYR HB3 . . 3.300 1.970 1.844 2.185 . 0 0 "[ . 1 . 2]" 1
1678 1 105 TYR H 1 105 TYR QD . . 3.400 3.494 3.459 3.513 0.113 14 0 "[ . 1 . 2]" 1
1679 1 105 TYR H 1 106 ALA H . . 3.210 2.495 2.135 2.704 . 0 0 "[ . 1 . 2]" 1
1680 1 105 TYR H 1 106 ALA HA . . 4.950 4.934 4.496 5.030 0.080 8 0 "[ . 1 . 2]" 1
1681 1 105 TYR HA 1 105 TYR HB2 . . 2.890 2.284 2.200 2.361 . 0 0 "[ . 1 . 2]" 1
1682 1 105 TYR HA 1 105 TYR HB3 . . 3.050 2.971 2.939 3.007 . 0 0 "[ . 1 . 2]" 1
1683 1 105 TYR HA 1 105 TYR QD . . 3.160 3.181 2.921 3.250 0.090 10 0 "[ . 1 . 2]" 1
1684 1 105 TYR HB2 1 106 ALA H . . 4.230 4.005 3.802 4.247 0.017 1 0 "[ . 1 . 2]" 1
1685 1 105 TYR HB3 1 106 ALA H . . 3.550 2.795 2.588 3.107 . 0 0 "[ . 1 . 2]" 1
1686 1 105 TYR HB3 1 106 ALA HA . . 5.400 5.006 4.429 5.448 0.048 13 0 "[ . 1 . 2]" 1
1687 1 105 TYR QD 1 106 ALA H . . 3.620 2.430 2.076 2.807 . 0 0 "[ . 1 . 2]" 1
1688 1 105 TYR QD 1 106 ALA HA . . 4.810 3.852 2.776 4.606 . 0 0 "[ . 1 . 2]" 1
1689 1 105 TYR QD 1 106 ALA MB . . 5.130 2.957 2.319 3.844 . 0 0 "[ . 1 . 2]" 1
1690 1 105 TYR QE 1 106 ALA H . . 5.500 4.371 4.033 4.856 . 0 0 "[ . 1 . 2]" 1
1691 1 106 ALA H 1 106 ALA MB . . 2.810 2.560 2.186 2.912 0.102 13 0 "[ . 1 . 2]" 1
1692 1 106 ALA H 1 107 GLN H . . 3.580 3.262 2.970 3.653 0.073 2 0 "[ . 1 . 2]" 1
1693 1 106 ALA HA 1 107 GLN QB . . 5.500 4.716 4.169 5.242 . 0 0 "[ . 1 . 2]" 1
1694 1 106 ALA MB 1 107 GLN H . . 4.460 3.169 1.955 3.845 . 0 0 "[ . 1 . 2]" 1
1695 1 107 GLN H 1 107 GLN QB . . 3.140 2.400 2.104 2.903 . 0 0 "[ . 1 . 2]" 1
1696 1 107 GLN H 1 107 GLN QG . . 3.230 3.004 1.828 3.336 0.106 6 0 "[ . 1 . 2]" 1
1697 1 107 GLN H 1 108 ARG H . . 2.400 2.305 1.951 2.479 0.079 17 0 "[ . 1 . 2]" 1
1698 1 107 GLN H 1 109 GLY H . . 3.890 3.626 3.068 3.971 0.081 2 0 "[ . 1 . 2]" 1
1699 1 107 GLN H 1 109 GLY QA . . 5.500 4.973 4.086 5.579 0.079 13 0 "[ . 1 . 2]" 1
1700 1 107 GLN HA 1 107 GLN QG . . 3.310 2.752 2.173 3.394 0.084 12 0 "[ . 1 . 2]" 1
1701 1 107 GLN HA 1 108 ARG QB . . 5.500 4.710 4.437 5.133 . 0 0 "[ . 1 . 2]" 1
1702 1 107 GLN HA 1 108 ARG QG . . 5.500 5.032 4.507 5.325 . 0 0 "[ . 1 . 2]" 1
1703 1 107 GLN HA 1 109 GLY H . . 5.500 5.366 5.026 5.584 0.084 1 0 "[ . 1 . 2]" 1
1704 1 107 GLN QB 1 107 GLN HE21 . . 3.990 3.023 2.029 3.798 . 0 0 "[ . 1 . 2]" 1
1705 1 107 GLN QB 1 107 GLN QG . . 2.460 2.079 1.969 2.120 . 0 0 "[ . 1 . 2]" 1
1706 1 107 GLN QB 1 108 ARG H . . 4.160 2.730 2.057 3.244 . 0 0 "[ . 1 . 2]" 1
1707 1 107 GLN QB 1 109 GLY H . . 4.810 4.153 3.155 4.684 . 0 0 "[ . 1 . 2]" 1
1708 1 107 GLN QG 1 108 ARG H . . 4.760 3.410 2.264 4.412 . 0 0 "[ . 1 . 2]" 1
1709 1 107 GLN QG 1 108 ARG HE . . 5.500 4.767 2.196 5.605 0.105 15 0 "[ . 1 . 2]" 1
1710 1 108 ARG H 1 108 ARG QB . . 3.620 3.083 2.195 3.381 . 0 0 "[ . 1 . 2]" 1
1711 1 108 ARG H 1 108 ARG QD . . 5.310 4.126 3.296 4.811 . 0 0 "[ . 1 . 2]" 1
1712 1 108 ARG H 1 108 ARG HE . . 5.500 4.788 3.632 5.573 0.073 12 0 "[ . 1 . 2]" 1
1713 1 108 ARG H 1 108 ARG QG . . 3.520 2.464 2.091 3.452 . 0 0 "[ . 1 . 2]" 1
1714 1 108 ARG H 1 109 GLY H . . 3.240 1.926 1.703 2.268 . 0 0 "[ . 1 . 2]" 1
1715 1 108 ARG H 1 109 GLY QA . . 4.100 3.858 3.555 4.047 . 0 0 "[ . 1 . 2]" 1
1716 1 108 ARG HA 1 108 ARG QG . . 3.850 3.344 2.029 3.540 . 0 0 "[ . 1 . 2]" 1
1717 1 108 ARG HA 1 110 ALA H . . 5.380 4.886 3.645 5.460 0.080 11 0 "[ . 1 . 2]" 1
1718 1 108 ARG QB 1 108 ARG QG . . 2.400 2.078 1.954 2.120 . 0 0 "[ . 1 . 2]" 1
1719 1 108 ARG QB 1 109 GLY H . . 4.090 3.491 2.404 3.748 . 0 0 "[ . 1 . 2]" 1
1720 1 108 ARG QG 1 110 ALA H . . 3.510 2.478 1.729 3.510 . 0 0 "[ . 1 . 2]" 1
1721 1 109 GLY H 1 110 ALA H . . 3.000 2.380 1.708 3.084 0.084 3 0 "[ . 1 . 2]" 1
1722 1 109 GLY H 1 110 ALA MB . . 3.350 3.409 3.194 3.475 0.125 1 0 "[ . 1 . 2]" 1
1723 1 110 ALA H 1 110 ALA MB . . 3.370 2.506 2.088 2.959 . 0 0 "[ . 1 . 2]" 1
1724 1 110 ALA MB 1 111 SER H . . 3.860 2.857 1.878 3.784 . 0 0 "[ . 1 . 2]" 1
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