NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556216 |
2m0a   |
18587 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m0a
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 689
_Distance_constraint_stats_list.Viol_count 1164
_Distance_constraint_stats_list.Viol_total 3888.742
_Distance_constraint_stats_list.Viol_max 1.950
_Distance_constraint_stats_list.Viol_rms 0.0782
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0128
_Distance_constraint_stats_list.Viol_average_violations_only 0.1591
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 2 LYS 14.265 1.950 21 3 "[* . 1- . 2+]"
1 3 LYS 0.217 0.163 16 0 "[ . 1 . 2 ]"
1 4 VAL 9.733 1.950 21 2 "[* . 1 . 2+]"
1 5 GLU 3.286 0.979 1 2 "[+ . 1 . 2-]"
1 6 PHE 7.461 1.256 21 2 "[- . 1 . 2+]"
1 7 ASN 0.754 0.289 1 0 "[ . 1 . 2 ]"
1 8 ASP 1.345 0.312 10 0 "[ . 1 . 2 ]"
1 9 LYS 4.346 1.595 1 1 "[+ . 1 . 2 ]"
1 10 PRO 6.083 1.595 1 2 "[+ . 1 - 2 ]"
1 11 LYS 0.902 0.248 19 0 "[ . 1 . 2 ]"
1 12 VAL 0.254 0.214 21 0 "[ . 1 . 2 ]"
1 13 ARG 0.342 0.214 21 0 "[ . 1 . 2 ]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 ILE 10.738 0.772 20 4 "[ . * * +-]"
1 16 PRO 9.274 0.772 20 3 "[ . * . +-]"
1 17 SER 0.018 0.018 17 0 "[ . 1 . 2 ]"
1 18 THR 2.533 0.374 18 0 "[ . 1 . 2 ]"
1 19 ARG 0.590 0.265 21 0 "[ . 1 . 2 ]"
1 20 LYS 4.744 0.967 10 2 "[ . - + . 2 ]"
1 21 ILE 8.131 0.967 10 2 "[ . - + . 2 ]"
1 22 LYS 1.671 0.282 20 0 "[ . 1 . 2 ]"
1 23 ILE 6.645 0.333 14 0 "[ . 1 . 2 ]"
1 24 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 25 PHE 1.069 0.170 19 0 "[ . 1 . 2 ]"
1 26 ALA 0.769 0.259 3 0 "[ . 1 . 2 ]"
1 27 LEU 5.082 1.413 17 3 "[ .- 1 .*+ 2 ]"
1 28 ASP 1.148 0.156 17 0 "[ . 1 . 2 ]"
1 29 ALA 0.037 0.037 8 0 "[ . 1 . 2 ]"
1 30 THR 7.259 0.765 10 6 "[ .*** +* .- 2 ]"
1 31 PHE 12.493 1.413 17 7 "[ .*** ** .-+ 2 ]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 VAL 8.243 0.800 21 10 "[*** * ** * * .- 2+]"
1 35 LEU 7.612 0.800 21 10 "[*** * ** * * .- 2+]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 LYS 0.378 0.097 15 0 "[ . 1 . 2 ]"
1 38 ALA 0.674 0.124 1 0 "[ . 1 . 2 ]"
1 39 CYS 3.960 0.280 15 0 "[ . 1 . 2 ]"
1 40 SER 0.698 0.124 1 0 "[ . 1 . 2 ]"
1 41 GLU 0.676 0.154 15 0 "[ . 1 . 2 ]"
1 42 PHE 0.206 0.082 4 0 "[ . 1 . 2 ]"
1 43 GLU 0.839 0.234 2 0 "[ . 1 . 2 ]"
1 44 VAL 3.186 0.410 1 0 "[ . 1 . 2 ]"
1 45 ASP 1.503 0.230 16 0 "[ . 1 . 2 ]"
1 46 LYS 0.804 0.312 16 0 "[ . 1 . 2 ]"
1 47 ASP 0.570 0.110 1 0 "[ . 1 . 2 ]"
1 48 VAL 0.916 0.225 14 0 "[ . 1 . 2 ]"
1 49 THR 2.012 0.384 2 0 "[ . 1 . 2 ]"
1 50 LEU 2.823 0.274 4 0 "[ . 1 . 2 ]"
1 51 ASP 2.764 0.685 13 2 "[ . 1 + . -2 ]"
1 52 GLU 2.708 0.685 13 2 "[ . 1 + . -2 ]"
1 53 LEU 3.566 0.446 10 0 "[ . 1 . 2 ]"
1 54 LEU 3.276 0.446 10 0 "[ . 1 . 2 ]"
1 55 ASP 1.070 0.273 7 0 "[ . 1 . 2 ]"
1 56 VAL 4.822 0.513 21 1 "[ . 1 . 2+]"
1 57 VAL 6.096 0.513 21 1 "[ . 1 . 2+]"
1 58 LEU 2.644 0.220 14 0 "[ . 1 . 2 ]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 ALA 3.443 0.280 15 0 "[ . 1 . 2 ]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 GLU 1.945 0.340 16 0 "[ . 1 . 2 ]"
1 63 SER 1.757 0.340 16 0 "[ . 1 . 2 ]"
1 64 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 LEU 0.457 0.087 9 0 "[ . 1 . 2 ]"
1 66 SER 0.457 0.087 9 0 "[ . 1 . 2 ]"
1 68 CYS 3.377 0.372 16 0 "[ . 1 . 2 ]"
1 69 LYS 1.581 0.303 5 0 "[ . 1 . 2 ]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 71 HIS 1.617 0.314 6 0 "[ . 1 . 2 ]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 ILE 3.464 0.478 17 0 "[ . 1 . 2 ]"
1 75 GLY 2.554 0.350 17 0 "[ . 1 . 2 ]"
1 76 THR 1.221 0.495 5 0 "[ . 1 . 2 ]"
1 77 LYS 9.946 0.495 5 0 "[ . 1 . 2 ]"
1 78 VAL 12.794 0.911 11 10 "[ ***-** 1+ * **2 ]"
1 79 CYS 9.314 0.911 11 10 "[ ***-** 1+ * **2 ]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 81 LEU 2.430 0.356 10 0 "[ . 1 . 2 ]"
1 83 ASP 0.512 0.154 13 0 "[ . 1 . 2 ]"
1 84 ARG 4.546 0.356 10 0 "[ . 1 . 2 ]"
1 85 LEU 1.102 0.188 8 0 "[ . 1 . 2 ]"
1 86 ALA 1.678 0.290 2 0 "[ . 1 . 2 ]"
1 87 GLY 0.547 0.184 19 0 "[ . 1 . 2 ]"
1 88 ASP 2.342 0.290 2 0 "[ . 1 . 2 ]"
1 89 TYR 26.122 1.659 4 10 "[ - +. *1 ****** * ]"
1 90 VAL 7.793 0.987 9 3 "[ . +1 *. - 2 ]"
1 91 TYR 10.758 1.659 4 6 "[ - +. 1 * .** * ]"
1 92 LEU 6.578 0.382 14 0 "[ . 1 . 2 ]"
1 93 PHE 2.188 0.245 16 0 "[ . 1 . 2 ]"
1 94 ASP 0.722 0.110 15 0 "[ . 1 . 2 ]"
1 95 GLU 0.678 0.116 17 0 "[ . 1 . 2 ]"
1 96 GLY 0.107 0.049 11 0 "[ . 1 . 2 ]"
1 97 GLY 0.646 0.081 3 0 "[ . 1 . 2 ]"
1 98 ASP 0.919 0.089 15 0 "[ . 1 . 2 ]"
1 99 GLU 0.352 0.084 15 0 "[ . 1 . 2 ]"
1 100 VAL 1.764 0.195 14 0 "[ . 1 . 2 ]"
1 101 ILE 2.342 0.384 2 0 "[ . 1 . 2 ]"
1 102 ALA 2.027 0.238 6 0 "[ . 1 . 2 ]"
1 103 PRO 0.796 0.112 7 0 "[ . 1 . 2 ]"
1 104 ARG 2.164 0.142 14 0 "[ . 1 . 2 ]"
1 105 MET 4.335 0.318 17 0 "[ . 1 . 2 ]"
1 106 TYR 7.977 0.906 15 3 "[ . * 1 + - ]"
1 107 CYS 2.225 0.318 17 0 "[ . 1 . 2 ]"
1 108 SER 4.119 0.382 14 0 "[ . 1 . 2 ]"
1 109 PHE 0.052 0.052 13 0 "[ . 1 . 2 ]"
1 110 SER 6.059 0.906 15 3 "[ . * 1 + - ]"
1 111 ALA 4.284 0.237 7 0 "[ . 1 . 2 ]"
1 112 PRO 0.917 0.199 9 0 "[ . 1 . 2 ]"
1 113 ASP 1.343 0.192 18 0 "[ . 1 . 2 ]"
1 114 ASP 2.819 0.199 9 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 92 LEU HA 1 107 CYS HA 4.330 . 4.760 2.319 2.232 2.469 . 0 0 "[ . 1 . 2 ]" 1
2 1 90 VAL HB 1 108 SER HA 4.910 . 5.400 3.787 2.313 5.437 0.037 16 0 "[ . 1 . 2 ]" 1
3 1 26 ALA HA 1 27 LEU HA 5.050 . 5.560 4.392 4.323 4.453 . 0 0 "[ . 1 . 2 ]" 1
4 1 93 PHE HB3 1 99 GLU HA 5.130 . 5.640 3.893 2.351 5.037 . 0 0 "[ . 1 . 2 ]" 1
5 1 93 PHE HB2 1 99 GLU HA 5.130 . 5.640 4.744 3.254 5.716 0.076 14 0 "[ . 1 . 2 ]" 1
6 1 93 PHE HA 1 99 GLU HA 4.440 . 4.880 2.730 2.260 3.604 . 0 0 "[ . 1 . 2 ]" 1
7 1 41 GLU HA 1 42 PHE HA 5.210 . 5.730 4.447 4.416 4.499 . 0 0 "[ . 1 . 2 ]" 1
8 1 20 LYS HA 1 21 ILE HA 5.500 . 6.050 4.422 4.372 4.471 . 0 0 "[ . 1 . 2 ]" 1
9 1 18 THR HA 1 45 ASP HA 4.070 . 4.480 3.026 1.822 3.834 . 0 0 "[ . 1 . 2 ]" 1
10 1 38 ALA HA 1 39 CYS HA 5.040 . 5.540 4.598 4.491 4.875 . 0 0 "[ . 1 . 2 ]" 1
11 1 60 ALA HA 1 61 VAL HA 5.370 . 5.910 4.778 4.717 4.807 . 0 0 "[ . 1 . 2 ]" 1
12 1 80 ALA HA 1 83 ASP HB3 4.210 . 4.630 3.661 2.466 4.451 . 0 0 "[ . 1 . 2 ]" 1
13 1 80 ALA HA 1 83 ASP HB2 4.210 . 4.630 3.031 2.485 3.734 . 0 0 "[ . 1 . 2 ]" 1
14 1 9 LYS HA 1 9 LYS HG3 3.790 . 4.170 3.233 2.154 4.231 0.061 4 0 "[ . 1 . 2 ]" 1
15 1 104 ARG HA 1 104 ARG HD3 4.250 . 4.680 4.503 3.823 4.822 0.142 14 0 "[ . 1 . 2 ]" 1
16 1 88 ASP HA 1 89 TYR HA 5.360 . 5.900 4.618 4.411 5.366 . 0 0 "[ . 1 . 2 ]" 1
17 1 15 ILE HG12 1 16 PRO HD2 5.500 . 6.050 4.849 3.809 5.556 . 0 0 "[ . 1 . 2 ]" 1
18 1 15 ILE HG12 1 16 PRO HD3 5.500 . 6.050 5.274 4.516 5.927 . 0 0 "[ . 1 . 2 ]" 1
19 1 9 LYS HA 1 10 PRO HD3 3.150 . 3.470 2.274 1.953 2.476 . 0 0 "[ . 1 . 2 ]" 1
20 1 9 LYS HA 1 10 PRO HD2 3.150 . 3.470 2.425 2.254 2.744 . 0 0 "[ . 1 . 2 ]" 1
21 1 93 PHE HB3 1 97 GLY HA2 5.380 . 5.920 3.498 2.336 4.598 . 0 0 "[ . 1 . 2 ]" 1
22 1 93 PHE HB2 1 97 GLY HA2 5.380 . 5.920 3.439 2.589 4.332 . 0 0 "[ . 1 . 2 ]" 1
23 1 93 PHE HB2 1 97 GLY HA3 5.380 . 5.920 5.090 4.101 5.961 0.041 20 0 "[ . 1 . 2 ]" 1
24 1 93 PHE HB3 1 97 GLY HA3 5.380 . 5.920 5.049 3.770 5.980 0.060 10 0 "[ . 1 . 2 ]" 1
25 1 97 GLY HA3 1 112 PRO HB2 5.030 . 5.530 4.389 3.124 5.429 . 0 0 "[ . 1 . 2 ]" 1
26 1 92 LEU HB3 1 107 CYS HA 5.500 . 6.050 4.322 2.228 4.920 . 0 0 "[ . 1 . 2 ]" 1
27 1 92 LEU HB2 1 107 CYS HA 5.500 . 6.050 3.064 2.149 3.599 . 0 0 "[ . 1 . 2 ]" 1
28 1 104 ARG HA 1 104 ARG HD2 4.250 . 4.680 4.230 2.294 4.769 0.089 19 0 "[ . 1 . 2 ]" 1
29 1 103 PRO HB3 1 104 ARG HD2 5.010 . 5.510 4.750 3.948 5.610 0.100 19 0 "[ . 1 . 2 ]" 1
30 1 103 PRO HB3 1 104 ARG HD3 5.010 . 5.510 5.380 4.102 5.622 0.112 7 0 "[ . 1 . 2 ]" 1
31 1 103 PRO HB2 1 104 ARG HD3 5.010 . 5.510 3.802 2.337 4.436 . 0 0 "[ . 1 . 2 ]" 1
32 1 103 PRO HB2 1 104 ARG HD2 5.010 . 5.510 3.321 2.299 4.599 . 0 0 "[ . 1 . 2 ]" 1
33 1 98 ASP HB2 1 100 VAL HB 4.560 . 5.020 4.467 3.756 5.109 0.089 15 0 "[ . 1 . 2 ]" 1
34 1 15 ILE HB 1 16 PRO HD2 4.780 . 5.260 2.990 1.852 5.030 . 0 0 "[ . 1 . 2 ]" 1
35 1 15 ILE HB 1 16 PRO HD3 4.780 . 5.260 3.882 3.040 4.967 . 0 0 "[ . 1 . 2 ]" 1
36 1 98 ASP HB3 1 100 VAL HB 4.560 . 5.020 3.760 3.340 5.049 0.029 11 0 "[ . 1 . 2 ]" 1
37 1 5 GLU HA 1 6 PHE HB3 5.500 . 6.050 5.651 4.667 6.396 0.346 21 0 "[ . 1 . 2 ]" 1
38 1 5 GLU HA 1 6 PHE HB2 5.500 . 6.050 4.611 3.992 5.673 . 0 0 "[ . 1 . 2 ]" 1
39 1 52 GLU HA 1 55 ASP HB2 4.510 . 4.960 3.089 2.338 3.951 . 0 0 "[ . 1 . 2 ]" 1
40 1 34 VAL HA 1 37 LYS HB3 4.300 . 4.730 3.862 2.812 4.767 0.037 8 0 "[ . 1 . 2 ]" 1
41 1 31 PHE HA 1 34 VAL HB 4.320 . 4.750 2.625 1.991 4.733 . 0 0 "[ . 1 . 2 ]" 1
42 1 97 GLY HA2 1 112 PRO HB2 5.030 . 5.530 4.169 3.276 5.332 . 0 0 "[ . 1 . 2 ]" 1
43 1 97 GLY HA3 1 112 PRO HB3 5.030 . 5.530 3.687 2.333 5.502 . 0 0 "[ . 1 . 2 ]" 1
44 1 97 GLY HA2 1 112 PRO HB3 5.030 . 5.530 2.988 2.255 4.240 . 0 0 "[ . 1 . 2 ]" 1
45 1 50 LEU HA 1 50 LEU HG 4.200 . 4.620 3.646 3.544 4.267 . 0 0 "[ . 1 . 2 ]" 1
46 1 50 LEU HG 1 51 ASP HA 5.040 . 5.540 3.986 3.158 5.435 . 0 0 "[ . 1 . 2 ]" 1
47 1 15 ILE HG13 1 16 PRO HD3 5.500 . 6.050 5.413 4.594 6.009 . 0 0 "[ . 1 . 2 ]" 1
48 1 15 ILE HG13 1 16 PRO HD2 5.500 . 6.050 4.836 3.158 5.998 . 0 0 "[ . 1 . 2 ]" 1
49 1 92 LEU HA 1 92 LEU HG 4.020 . 4.420 2.478 2.254 3.602 . 0 0 "[ . 1 . 2 ]" 1
50 1 77 LYS HA 1 77 LYS HG2 4.140 . 4.550 3.490 2.334 4.211 . 0 0 "[ . 1 . 2 ]" 1
51 1 77 LYS HA 1 77 LYS HG3 4.140 . 4.550 3.109 2.399 3.823 . 0 0 "[ . 1 . 2 ]" 1
52 1 9 LYS HA 1 9 LYS HG2 3.790 . 4.170 3.486 2.333 4.222 0.052 21 0 "[ . 1 . 2 ]" 1
53 1 90 VAL HA 1 109 PHE HA 4.660 . 5.130 2.473 2.191 3.283 . 0 0 "[ . 1 . 2 ]" 1
54 1 92 LEU HG 1 107 CYS HA 4.840 . 5.320 3.306 2.515 4.658 . 0 0 "[ . 1 . 2 ]" 1
55 1 53 LEU HA 1 57 VAL HB 4.680 . 5.150 4.724 4.083 5.255 0.105 16 0 "[ . 1 . 2 ]" 1
56 1 15 ILE HA 1 15 ILE HG13 4.230 . 4.650 3.708 3.129 4.248 . 0 0 "[ . 1 . 2 ]" 1
57 1 15 ILE HA 1 15 ILE HG12 4.230 . 4.650 3.396 2.399 4.230 . 0 0 "[ . 1 . 2 ]" 1
58 1 15 ILE HA 1 16 PRO HD2 3.460 . 3.810 2.564 2.185 3.004 . 0 0 "[ . 1 . 2 ]" 1
59 1 15 ILE HA 1 16 PRO HD3 3.460 . 3.810 2.257 2.012 2.505 . 0 0 "[ . 1 . 2 ]" 1
60 1 52 GLU HA 1 55 ASP HB3 4.510 . 4.960 3.396 2.405 4.519 . 0 0 "[ . 1 . 2 ]" 1
61 1 69 LYS HA 1 78 VAL HB 4.390 . 4.830 4.093 2.843 4.819 . 0 0 "[ . 1 . 2 ]" 1
62 1 81 LEU HA 1 84 ARG HA 5.070 . 5.580 5.494 5.251 5.803 0.223 19 0 "[ . 1 . 2 ]" 1
63 1 34 VAL HA 1 37 LYS HB2 4.300 . 4.730 3.322 2.632 4.474 . 0 0 "[ . 1 . 2 ]" 1
64 1 55 ASP HA 1 56 VAL HA 4.660 . 5.130 4.755 4.699 4.802 . 0 0 "[ . 1 . 2 ]" 1
65 1 28 ASP HB3 1 29 ALA H 4.870 . 5.360 2.853 1.965 4.645 . 0 0 "[ . 1 . 2 ]" 1
66 1 28 ASP HB2 1 29 ALA H 4.870 . 5.360 3.522 1.932 3.979 . 0 0 "[ . 1 . 2 ]" 1
67 1 29 ALA H 1 30 THR H 4.370 . 4.810 2.880 2.376 4.481 . 0 0 "[ . 1 . 2 ]" 1
68 1 22 LYS H 1 22 LYS HB2 4.090 . 4.500 2.857 2.469 3.829 . 0 0 "[ . 1 . 2 ]" 1
69 1 22 LYS H 1 22 LYS HB3 4.090 . 4.500 3.255 2.563 3.876 . 0 0 "[ . 1 . 2 ]" 1
70 1 110 SER HA 1 111 ALA H 3.190 . 3.510 2.284 2.118 2.556 . 0 0 "[ . 1 . 2 ]" 1
71 1 12 VAL HA 1 13 ARG H 3.470 . 3.820 3.222 2.452 3.577 . 0 0 "[ . 1 . 2 ]" 1
72 1 25 PHE H 1 26 ALA H 4.920 . 5.410 4.372 3.761 4.602 . 0 0 "[ . 1 . 2 ]" 1
73 1 113 ASP HA 1 114 ASP H 3.030 . 3.330 3.169 2.511 3.522 0.192 18 0 "[ . 1 . 2 ]" 1
74 1 98 ASP HA 1 99 GLU H 3.470 . 3.820 2.193 2.141 2.449 . 0 0 "[ . 1 . 2 ]" 1
75 1 13 ARG HA 1 14 LYS H 3.210 . 3.530 2.346 2.035 2.676 . 0 0 "[ . 1 . 2 ]" 1
76 1 4 VAL HA 1 5 GLU H 3.040 . 3.340 2.870 2.151 3.522 0.182 2 0 "[ . 1 . 2 ]" 1
77 1 14 LYS HA 1 15 ILE H 3.210 . 3.530 2.232 2.134 2.547 . 0 0 "[ . 1 . 2 ]" 1
78 1 15 ILE H 1 15 ILE HB 3.570 . 3.930 3.306 2.588 3.944 0.014 1 0 "[ . 1 . 2 ]" 1
79 1 15 ILE H 1 15 ILE HG12 4.200 . 4.620 2.234 1.801 3.544 . 0 0 "[ . 1 . 2 ]" 1
80 1 15 ILE H 1 15 ILE HG13 4.200 . 4.620 2.706 1.727 4.126 0.073 18 0 "[ . 1 . 2 ]" 1
81 1 89 TYR HB3 1 90 VAL H 4.190 . 4.610 3.317 1.898 4.364 . 0 0 "[ . 1 . 2 ]" 1
82 1 89 TYR HB2 1 90 VAL H 4.190 . 4.610 2.646 1.725 4.636 0.075 21 0 "[ . 1 . 2 ]" 1
83 1 90 VAL H 1 90 VAL HB 3.890 . 4.280 3.347 2.478 3.892 . 0 0 "[ . 1 . 2 ]" 1
84 1 90 VAL HB 1 91 TYR H 4.840 . 5.320 3.351 2.347 4.206 . 0 0 "[ . 1 . 2 ]" 1
85 1 31 PHE H 1 32 ASP H 3.780 . 4.160 2.615 2.467 3.011 . 0 0 "[ . 1 . 2 ]" 1
86 1 34 VAL H 1 35 LEU H 4.070 . 4.480 2.728 2.656 2.879 . 0 0 "[ . 1 . 2 ]" 1
87 1 33 SER H 1 34 VAL H 4.210 . 4.630 2.614 2.444 2.725 . 0 0 "[ . 1 . 2 ]" 1
88 1 34 VAL H 1 34 VAL HB 3.740 . 4.110 2.556 2.409 3.608 . 0 0 "[ . 1 . 2 ]" 1
89 1 88 ASP H 1 89 TYR H 4.330 . 4.760 3.933 2.505 4.507 . 0 0 "[ . 1 . 2 ]" 1
90 1 86 ALA H 1 88 ASP H 4.360 . 4.800 4.643 3.900 4.904 0.104 20 0 "[ . 1 . 2 ]" 1
91 1 84 ARG HA 1 88 ASP H 4.130 . 4.540 3.698 2.228 4.644 0.104 3 0 "[ . 1 . 2 ]" 1
92 1 50 LEU H 1 51 ASP H 4.000 . 4.400 2.779 1.772 3.061 0.028 12 0 "[ . 1 . 2 ]" 1
93 1 50 LEU H 1 50 LEU HB2 3.730 . 4.100 3.644 3.543 4.069 . 0 0 "[ . 1 . 2 ]" 1
94 1 50 LEU H 1 50 LEU HB3 3.730 . 4.100 2.736 2.400 3.716 . 0 0 "[ . 1 . 2 ]" 1
95 1 61 VAL H 1 62 GLU H 4.230 . 4.650 2.676 2.584 2.765 . 0 0 "[ . 1 . 2 ]" 1
96 1 60 ALA H 1 61 VAL H 4.000 . 4.400 2.751 2.616 2.853 . 0 0 "[ . 1 . 2 ]" 1
97 1 77 LYS HG2 1 78 VAL H 4.820 . 5.300 3.578 2.053 4.730 . 0 0 "[ . 1 . 2 ]" 1
98 1 77 LYS HG3 1 78 VAL H 4.820 . 5.300 3.511 1.814 4.757 . 0 0 "[ . 1 . 2 ]" 1
99 1 84 ARG H 1 85 LEU H 3.780 . 4.160 2.613 2.542 2.738 . 0 0 "[ . 1 . 2 ]" 1
100 1 83 ASP HB2 1 84 ARG H 4.090 . 4.500 3.128 2.419 3.855 . 0 0 "[ . 1 . 2 ]" 1
101 1 83 ASP HB3 1 84 ARG H 4.090 . 4.500 3.048 2.448 3.538 . 0 0 "[ . 1 . 2 ]" 1
102 1 84 ARG H 1 84 ARG HB2 3.770 . 4.150 2.394 2.148 3.594 . 0 0 "[ . 1 . 2 ]" 1
103 1 84 ARG H 1 84 ARG HB3 3.770 . 4.150 3.508 2.470 3.590 . 0 0 "[ . 1 . 2 ]" 1
104 1 76 THR H 1 77 LYS H 4.010 . 4.410 2.919 2.371 3.437 . 0 0 "[ . 1 . 2 ]" 1
105 1 77 LYS H 1 77 LYS HG2 4.320 . 4.750 3.576 1.873 4.637 . 0 0 "[ . 1 . 2 ]" 1
106 1 77 LYS H 1 77 LYS HG3 4.320 . 4.750 3.765 1.805 4.460 . 0 0 "[ . 1 . 2 ]" 1
107 1 11 LYS H 1 12 VAL H 4.000 . 4.400 3.490 2.347 4.413 0.013 2 0 "[ . 1 . 2 ]" 1
108 1 10 PRO HA 1 11 LYS H 2.990 . 3.290 2.648 2.156 3.538 0.248 19 0 "[ . 1 . 2 ]" 1
109 1 18 THR HA 1 46 LYS H 4.330 . 4.760 3.801 2.321 4.822 0.062 13 0 "[ . 1 . 2 ]" 1
110 1 44 VAL HB 1 45 ASP H 4.050 . 4.460 3.698 1.831 4.303 . 0 0 "[ . 1 . 2 ]" 1
111 1 5 GLU HA 1 6 PHE H 3.030 . 3.330 2.658 2.138 3.383 0.053 11 0 "[ . 1 . 2 ]" 1
112 1 70 GLU H 1 71 HIS H 4.020 . 4.420 2.590 2.486 3.040 . 0 0 "[ . 1 . 2 ]" 1
113 1 71 HIS H 1 72 ASP H 4.690 . 5.160 4.343 3.843 4.608 . 0 0 "[ . 1 . 2 ]" 1
114 1 71 HIS H 1 74 ILE HB 4.560 . 5.020 4.382 3.534 5.034 0.014 20 0 "[ . 1 . 2 ]" 1
115 1 48 VAL H 1 49 THR H 4.460 . 4.910 4.410 4.185 4.593 . 0 0 "[ . 1 . 2 ]" 1
116 1 47 ASP H 1 48 VAL H 3.610 . 3.970 2.557 1.690 4.037 0.110 1 0 "[ . 1 . 2 ]" 1
117 1 48 VAL H 1 48 VAL HB 3.530 . 3.880 3.052 2.471 3.884 0.004 14 0 "[ . 1 . 2 ]" 1
118 1 11 LYS HA 1 12 VAL H 3.560 . 3.920 3.237 2.160 3.575 . 0 0 "[ . 1 . 2 ]" 1
119 1 12 VAL H 1 12 VAL HB 4.140 . 4.550 3.226 2.452 3.835 . 0 0 "[ . 1 . 2 ]" 1
120 1 100 VAL H 1 100 VAL HB 4.160 . 4.580 2.979 2.697 3.376 . 0 0 "[ . 1 . 2 ]" 1
121 1 93 PHE HA 1 100 VAL H 4.690 . 5.160 3.368 2.727 3.829 . 0 0 "[ . 1 . 2 ]" 1
122 1 100 VAL H 1 101 ILE H 4.490 . 4.940 4.288 4.155 4.418 . 0 0 "[ . 1 . 2 ]" 1
123 1 109 PHE H 1 110 SER H 3.760 . 4.140 2.763 2.435 3.403 . 0 0 "[ . 1 . 2 ]" 1
124 1 101 ILE H 1 101 ILE HB 3.750 . 4.130 2.523 2.294 2.741 . 0 0 "[ . 1 . 2 ]" 1
125 1 100 VAL HB 1 101 ILE H 4.170 . 4.590 4.127 3.626 4.237 . 0 0 "[ . 1 . 2 ]" 1
126 1 20 LYS H 1 21 ILE H 4.640 . 5.100 4.420 4.190 4.583 . 0 0 "[ . 1 . 2 ]" 1
127 1 94 ASP H 1 98 ASP H 4.650 . 5.120 4.073 3.101 4.908 . 0 0 "[ . 1 . 2 ]" 1
128 1 98 ASP H 1 98 ASP HB3 3.820 . 4.200 3.319 2.614 3.837 . 0 0 "[ . 1 . 2 ]" 1
129 1 98 ASP H 1 98 ASP HB2 3.820 . 4.200 2.433 2.241 2.762 . 0 0 "[ . 1 . 2 ]" 1
130 1 92 LEU HG 1 108 SER H 5.050 . 5.560 5.144 4.557 5.760 0.200 17 0 "[ . 1 . 2 ]" 1
131 1 27 LEU H 1 28 ASP H 3.760 . 4.140 2.635 2.231 3.514 . 0 0 "[ . 1 . 2 ]" 1
132 1 26 ALA HA 1 28 ASP H 4.550 . 5.010 4.123 3.622 4.987 . 0 0 "[ . 1 . 2 ]" 1
133 1 27 LEU HB2 1 28 ASP H 4.260 . 4.690 2.849 1.809 4.276 . 0 0 "[ . 1 . 2 ]" 1
134 1 27 LEU HB3 1 28 ASP H 4.260 . 4.690 3.580 2.304 4.512 . 0 0 "[ . 1 . 2 ]" 1
135 1 18 THR HB 1 19 ARG H 4.770 . 5.250 2.743 2.055 3.834 . 0 0 "[ . 1 . 2 ]" 1
136 1 57 VAL H 1 58 LEU H 4.130 . 4.540 2.761 2.644 2.832 . 0 0 "[ . 1 . 2 ]" 1
137 1 54 LEU HA 1 58 LEU H 4.370 . 4.810 3.762 3.538 3.896 . 0 0 "[ . 1 . 2 ]" 1
138 1 89 TYR H 1 90 VAL H 4.430 . 4.870 3.787 2.345 4.621 . 0 0 "[ . 1 . 2 ]" 1
139 1 88 ASP HA 1 89 TYR H 3.380 . 3.720 2.493 2.139 3.572 . 0 0 "[ . 1 . 2 ]" 1
140 1 89 TYR H 1 89 TYR HB3 3.480 . 3.830 3.174 2.522 3.875 0.045 20 0 "[ . 1 . 2 ]" 1
141 1 89 TYR H 1 89 TYR HB2 3.480 . 3.830 3.510 2.350 3.969 0.139 2 0 "[ . 1 . 2 ]" 1
142 1 38 ALA H 1 39 CYS H 3.670 . 4.040 2.784 2.302 3.213 . 0 0 "[ . 1 . 2 ]" 1
143 1 37 LYS H 1 38 ALA H 3.650 . 4.020 2.576 2.350 2.741 . 0 0 "[ . 1 . 2 ]" 1
144 1 35 LEU HA 1 38 ALA H 4.590 . 5.050 3.427 3.165 3.726 . 0 0 "[ . 1 . 2 ]" 1
145 1 40 SER H 1 41 GLU H 3.340 . 3.670 2.586 1.957 3.702 0.032 10 0 "[ . 1 . 2 ]" 1
146 1 51 ASP H 1 52 GLU H 3.920 . 4.310 2.768 2.641 2.914 . 0 0 "[ . 1 . 2 ]" 1
147 1 52 GLU H 1 52 GLU HB2 3.930 . 4.320 2.423 2.120 2.640 . 0 0 "[ . 1 . 2 ]" 1
148 1 52 GLU H 1 52 GLU HB3 3.930 . 4.320 3.139 2.434 3.592 . 0 0 "[ . 1 . 2 ]" 1
149 1 56 VAL H 1 57 VAL H 4.080 . 4.490 2.652 2.537 2.807 . 0 0 "[ . 1 . 2 ]" 1
150 1 46 LYS H 1 47 ASP H 4.120 . 4.530 3.360 2.239 4.631 0.101 16 0 "[ . 1 . 2 ]" 1
151 1 34 VAL HA 1 37 LYS H 4.500 . 4.950 3.646 3.515 3.816 . 0 0 "[ . 1 . 2 ]" 1
152 1 36 SER H 1 37 LYS H 3.960 . 4.360 2.717 2.620 2.818 . 0 0 "[ . 1 . 2 ]" 1
153 1 37 LYS H 1 39 CYS H 4.650 . 5.120 4.503 3.822 5.217 0.097 15 0 "[ . 1 . 2 ]" 1
154 1 63 SER H 1 64 THR H 3.980 . 4.380 2.737 2.615 2.840 . 0 0 "[ . 1 . 2 ]" 1
155 1 78 VAL HB 1 79 CYS H 4.160 . 4.580 3.050 2.382 3.868 . 0 0 "[ . 1 . 2 ]" 1
156 1 108 SER HA 1 110 SER H 4.350 . 4.790 4.341 3.966 4.653 . 0 0 "[ . 1 . 2 ]" 1
157 1 17 SER H 1 18 THR H 3.910 . 4.300 2.558 2.072 2.915 . 0 0 "[ . 1 . 2 ]" 1
158 1 16 PRO HA 1 17 SER H 3.230 . 3.550 2.384 2.174 3.490 . 0 0 "[ . 1 . 2 ]" 1
159 1 16 PRO HB2 1 17 SER H 4.320 . 4.750 3.264 1.843 4.087 . 0 0 "[ . 1 . 2 ]" 1
160 1 16 PRO HB3 1 17 SER H 4.320 . 4.750 3.369 2.371 4.276 . 0 0 "[ . 1 . 2 ]" 1
161 1 65 LEU H 1 66 SER H 4.060 . 4.470 3.718 2.266 4.258 . 0 0 "[ . 1 . 2 ]" 1
162 1 65 LEU HG 1 66 SER H 4.440 . 4.880 4.292 2.406 4.967 0.087 9 0 "[ . 1 . 2 ]" 1
163 1 94 ASP HB2 1 95 GLU H 4.380 . 4.820 2.559 1.789 3.703 0.011 20 0 "[ . 1 . 2 ]" 1
164 1 94 ASP HB3 1 95 GLU H 4.380 . 4.820 3.350 2.345 3.723 . 0 0 "[ . 1 . 2 ]" 1
165 1 35 LEU HA 1 39 CYS H 4.600 . 5.060 3.710 2.669 5.166 0.106 11 0 "[ . 1 . 2 ]" 1
166 1 30 THR H 1 31 PHE H 3.640 . 4.000 2.829 2.713 3.146 . 0 0 "[ . 1 . 2 ]" 1
167 1 30 THR H 1 30 THR HB 3.800 . 4.180 2.845 2.361 3.518 . 0 0 "[ . 1 . 2 ]" 1
168 1 86 ALA H 1 87 GLY H 3.760 . 4.140 2.613 2.167 2.812 . 0 0 "[ . 1 . 2 ]" 1
169 1 85 LEU H 1 86 ALA H 3.950 . 4.350 2.601 2.439 2.745 . 0 0 "[ . 1 . 2 ]" 1
170 1 58 LEU HB2 1 59 ASP H 4.370 . 4.810 3.697 3.526 3.877 . 0 0 "[ . 1 . 2 ]" 1
171 1 58 LEU HB3 1 59 ASP H 4.370 . 4.810 2.300 2.147 2.602 . 0 0 "[ . 1 . 2 ]" 1
172 1 93 PHE H 1 106 TYR H 4.630 . 5.090 3.238 2.940 3.810 . 0 0 "[ . 1 . 2 ]" 1
173 1 76 THR H 1 76 THR HB 3.590 . 3.950 3.465 2.572 4.010 0.060 20 0 "[ . 1 . 2 ]" 1
174 1 49 THR H 1 52 GLU H 4.460 . 4.910 3.524 2.923 4.456 . 0 0 "[ . 1 . 2 ]" 1
175 1 102 ALA HA 1 104 ARG H 4.550 . 5.010 4.449 4.128 4.597 . 0 0 "[ . 1 . 2 ]" 1
176 1 103 PRO HB2 1 104 ARG H 4.370 . 4.810 2.649 2.393 3.473 . 0 0 "[ . 1 . 2 ]" 1
177 1 103 PRO HB3 1 104 ARG H 4.370 . 4.810 3.983 3.810 4.279 . 0 0 "[ . 1 . 2 ]" 1
178 1 71 HIS HA 1 75 GLY H 4.370 . 4.810 4.806 4.334 5.124 0.314 6 0 "[ . 1 . 2 ]" 1
179 1 74 ILE HB 1 75 GLY H 4.690 . 5.160 3.144 2.117 3.947 . 0 0 "[ . 1 . 2 ]" 1
180 1 18 THR H 1 19 ARG H 4.940 . 5.430 4.508 4.319 4.588 . 0 0 "[ . 1 . 2 ]" 1
181 1 17 SER HA 1 18 THR H 3.410 . 3.750 3.282 2.999 3.545 . 0 0 "[ . 1 . 2 ]" 1
182 1 97 GLY H 1 98 ASP H 3.910 . 4.300 2.082 1.719 2.584 0.081 3 0 "[ . 1 . 2 ]" 1
183 1 97 GLY H 1 98 ASP HB2 4.700 . 5.170 4.123 3.558 5.181 0.011 6 0 "[ . 1 . 2 ]" 1
184 1 97 GLY H 1 98 ASP HB3 4.700 . 5.170 5.108 4.828 5.246 0.076 1 0 "[ . 1 . 2 ]" 1
185 1 39 CYS H 1 40 SER H 3.780 . 4.160 3.245 1.768 4.068 0.032 18 0 "[ . 1 . 2 ]" 1
186 1 94 ASP HB3 1 96 GLY H 4.990 . 5.490 4.214 2.739 5.539 0.049 11 0 "[ . 1 . 2 ]" 1
187 1 94 ASP HB2 1 96 GLY H 4.990 . 5.490 4.103 2.650 4.976 . 0 0 "[ . 1 . 2 ]" 1
188 1 95 GLU H 1 96 GLY H 4.370 . 4.810 3.147 2.616 3.807 . 0 0 "[ . 1 . 2 ]" 1
189 1 87 GLY H 1 88 ASP H 3.450 . 3.790 2.539 1.772 3.368 0.028 12 0 "[ . 1 . 2 ]" 1
190 1 84 ARG HA 1 87 GLY H 4.330 . 4.760 3.727 3.140 4.536 . 0 0 "[ . 1 . 2 ]" 1
191 1 21 ILE H 1 42 PHE H 4.580 . 5.040 3.323 2.548 4.113 . 0 0 "[ . 1 . 2 ]" 1
192 1 113 ASP H 1 114 ASP H 3.410 . 3.750 2.680 2.133 3.260 . 0 0 "[ . 1 . 2 ]" 1
193 1 99 GLU H 1 100 VAL H 5.060 . 5.570 4.114 4.046 4.172 . 0 0 "[ . 1 . 2 ]" 1
194 1 4 VAL H 1 5 GLU H 4.360 . 4.800 3.441 1.744 4.655 0.056 1 0 "[ . 1 . 2 ]" 1
195 1 91 TYR H 1 109 PHE HA 4.940 . 5.430 2.792 2.227 3.259 . 0 0 "[ . 1 . 2 ]" 1
196 1 90 VAL H 1 91 TYR H 4.910 . 5.400 4.432 3.928 4.635 . 0 0 "[ . 1 . 2 ]" 1
197 1 60 ALA H 1 62 GLU H 4.680 . 5.150 4.142 3.957 4.272 . 0 0 "[ . 1 . 2 ]" 1
198 1 23 ILE H 1 24 THR H 4.930 . 5.420 4.377 4.002 4.569 . 0 0 "[ . 1 . 2 ]" 1
199 1 81 LEU H 1 84 ARG H 5.190 . 5.710 4.719 4.612 4.819 . 0 0 "[ . 1 . 2 ]" 1
200 1 84 ARG H 1 86 ALA H 4.770 . 5.250 3.998 3.742 4.329 . 0 0 "[ . 1 . 2 ]" 1
201 1 57 VAL H 1 59 ASP H 5.010 . 5.510 4.356 4.015 4.505 . 0 0 "[ . 1 . 2 ]" 1
202 1 77 LYS H 1 78 VAL H 4.010 . 4.410 2.710 2.588 2.922 . 0 0 "[ . 1 . 2 ]" 1
203 1 3 LYS H 1 4 VAL H 4.780 . 5.260 2.904 1.637 4.642 0.163 16 0 "[ . 1 . 2 ]" 1
204 1 19 ARG H 1 46 LYS H 5.130 . 5.640 4.836 3.578 5.693 0.053 19 0 "[ . 1 . 2 ]" 1
205 1 71 HIS H 1 75 GLY H 4.920 . 5.410 4.495 3.983 5.349 . 0 0 "[ . 1 . 2 ]" 1
206 1 94 ASP H 1 100 VAL H 4.930 . 5.420 3.158 2.689 3.568 . 0 0 "[ . 1 . 2 ]" 1
207 1 98 ASP H 1 99 GLU H 4.730 . 5.200 4.487 4.315 4.622 . 0 0 "[ . 1 . 2 ]" 1
208 1 7 ASN H 1 8 ASP H 3.900 . 4.290 3.422 1.911 4.503 0.213 1 0 "[ . 1 . 2 ]" 1
209 1 20 LYS H 1 44 VAL H 4.940 . 5.430 4.757 4.561 5.068 . 0 0 "[ . 1 . 2 ]" 1
210 1 35 LEU H 1 36 SER H 3.870 . 4.260 2.673 2.614 2.802 . 0 0 "[ . 1 . 2 ]" 1
211 1 28 ASP H 1 29 ALA H 5.060 . 5.570 3.855 1.763 4.582 0.037 8 0 "[ . 1 . 2 ]" 1
212 1 19 ARG H 1 44 VAL H 4.550 . 5.010 3.677 2.837 4.246 . 0 0 "[ . 1 . 2 ]" 1
213 1 21 ILE H 1 44 VAL H 5.030 . 5.530 4.088 3.592 5.048 . 0 0 "[ . 1 . 2 ]" 1
214 1 110 SER H 1 111 ALA H 4.520 . 4.970 4.526 4.099 4.650 . 0 0 "[ . 1 . 2 ]" 1
215 1 49 THR H 1 51 ASP H 5.140 . 5.650 4.550 3.694 5.111 . 0 0 "[ . 1 . 2 ]" 1
216 1 61 VAL H 1 63 SER H 5.020 . 5.520 4.164 4.025 4.446 . 0 0 "[ . 1 . 2 ]" 1
217 1 38 ALA H 1 40 SER H 4.750 . 5.220 4.925 3.863 5.344 0.124 1 0 "[ . 1 . 2 ]" 1
218 1 96 GLY H 1 98 ASP H 4.310 . 4.740 4.107 3.147 4.768 0.028 3 0 "[ . 1 . 2 ]" 1
219 1 102 ALA H 1 104 ARG H 4.920 . 5.410 4.704 4.466 4.988 . 0 0 "[ . 1 . 2 ]" 1
220 1 111 ALA HA 1 113 ASP H 4.160 . 4.580 4.486 4.106 4.592 0.012 4 0 "[ . 1 . 2 ]" 1
221 1 51 ASP HA 1 54 LEU H 5.220 . 5.740 3.641 3.473 3.920 . 0 0 "[ . 1 . 2 ]" 1
222 1 53 LEU HA 1 57 VAL H 4.730 . 5.200 3.645 3.303 3.959 . 0 0 "[ . 1 . 2 ]" 1
223 1 71 HIS HA 1 71 HIS HD2 3.990 . 4.390 3.864 2.411 4.468 0.078 21 0 "[ . 1 . 2 ]" 1
224 1 106 TYR HA 1 106 TYR QD 3.830 . 4.210 2.547 2.285 3.704 . 0 0 "[ . 1 . 2 ]" 1
225 1 26 ALA MB 1 27 LEU HA 5.500 . 6.050 4.343 3.993 4.528 . 0 0 "[ . 1 . 2 ]" 1
226 1 111 ALA MB 1 114 ASP HA 3.950 . 4.350 3.814 2.747 4.431 0.081 5 0 "[ . 1 . 2 ]" 1
227 1 2 LYS HA 1 2 LYS QE 3.530 . 3.880 4.008 3.760 4.401 0.521 11 1 "[ . 1+ . 2 ]" 1
228 1 1 GLY QA 1 2 LYS HA 4.290 . 4.720 4.070 3.953 4.237 . 0 0 "[ . 1 . 2 ]" 1
229 1 48 VAL QG 1 52 GLU HB2 4.790 . 5.270 2.764 1.943 3.922 . 0 0 "[ . 1 . 2 ]" 1
230 1 48 VAL QG 1 52 GLU HB3 4.790 . 5.270 2.522 1.944 4.700 . 0 0 "[ . 1 . 2 ]" 1
231 1 27 LEU HA 1 31 PHE QD 5.470 . 6.020 5.416 4.535 6.518 0.498 17 0 "[ . 1 . 2 ]" 1
232 1 40 SER QB 1 41 GLU HA 5.170 . 5.690 4.726 4.197 5.110 . 0 0 "[ . 1 . 2 ]" 1
233 1 20 LYS QE 1 43 GLU HA 5.120 . 5.630 4.264 2.961 5.718 0.088 16 0 "[ . 1 . 2 ]" 1
234 1 22 LYS QE 1 41 GLU HA 4.660 . 5.130 4.395 3.043 5.284 0.154 15 0 "[ . 1 . 2 ]" 1
235 1 20 LYS HA 1 20 LYS QE 5.390 . 5.930 4.459 3.881 4.878 . 0 0 "[ . 1 . 2 ]" 1
236 1 20 LYS HA 1 43 GLU QB 4.130 . 4.540 4.057 2.368 4.547 0.007 4 0 "[ . 1 . 2 ]" 1
237 1 20 LYS HA 1 44 VAL MG1 5.360 . 5.900 4.671 2.572 5.996 0.096 1 0 "[ . 1 . 2 ]" 1
238 1 20 LYS HA 1 44 VAL MG2 5.360 . 5.900 3.631 2.277 5.937 0.037 17 0 "[ . 1 . 2 ]" 1
239 1 18 THR MG 1 45 ASP HA 3.280 . 3.610 3.285 2.133 3.840 0.230 16 0 "[ . 1 . 2 ]" 1
240 1 13 ARG HA 1 13 ARG QD 3.920 . 4.310 3.936 2.165 4.438 0.128 5 0 "[ . 1 . 2 ]" 1
241 1 12 VAL QG 1 13 ARG HA 4.750 . 5.220 3.699 3.066 4.487 . 0 0 "[ . 1 . 2 ]" 1
242 1 38 ALA MB 1 39 CYS HA 5.130 . 5.640 4.134 3.678 4.968 . 0 0 "[ . 1 . 2 ]" 1
243 1 28 ASP HA 1 31 PHE QD 5.160 . 5.680 5.005 2.266 5.831 0.151 6 0 "[ . 1 . 2 ]" 1
244 1 93 PHE HA 1 99 GLU QG 4.880 . 5.370 3.886 2.970 5.397 0.027 13 0 "[ . 1 . 2 ]" 1
245 1 50 LEU MD1 1 93 PHE HA 5.140 . 5.650 4.965 3.644 5.754 0.104 2 0 "[ . 1 . 2 ]" 1
246 1 9 LYS HA 1 10 PRO QG 4.050 . 4.460 4.021 3.930 4.097 . 0 0 "[ . 1 . 2 ]" 1
247 1 9 LYS HA 1 9 LYS QE 5.250 . 5.780 4.946 3.711 5.682 . 0 0 "[ . 1 . 2 ]" 1
248 1 22 LYS HA 1 22 LYS QG 3.650 . 4.020 2.379 2.125 3.312 . 0 0 "[ . 1 . 2 ]" 1
249 1 92 LEU HA 1 107 CYS QB 5.290 . 5.820 3.808 3.437 4.074 . 0 0 "[ . 1 . 2 ]" 1
250 1 85 LEU QD 1 86 ALA HA 5.070 . 5.580 3.808 2.700 5.057 . 0 0 "[ . 1 . 2 ]" 1
251 1 94 ASP HA 1 102 ALA MB 4.490 . 4.940 3.973 3.249 4.609 . 0 0 "[ . 1 . 2 ]" 1
252 1 15 ILE MG 1 16 PRO HD3 3.670 . 4.040 3.371 2.589 4.212 0.172 15 0 "[ . 1 . 2 ]" 1
253 1 15 ILE MG 1 16 PRO HD2 3.670 . 4.040 2.700 2.080 3.555 . 0 0 "[ . 1 . 2 ]" 1
254 1 106 TYR QE 1 111 ALA HA 5.250 . 5.780 5.069 4.219 5.837 0.057 10 0 "[ . 1 . 2 ]" 1
255 1 86 ALA MB 1 87 GLY HA2 5.120 . 5.630 4.326 3.763 4.619 . 0 0 "[ . 1 . 2 ]" 1
256 1 86 ALA MB 1 87 GLY HA3 5.120 . 5.630 3.919 3.756 4.179 . 0 0 "[ . 1 . 2 ]" 1
257 1 28 ASP HB2 1 31 PHE QD 5.000 . 5.500 3.218 2.320 5.531 0.031 10 0 "[ . 1 . 2 ]" 1
258 1 28 ASP HB3 1 31 PHE QD 5.000 . 5.500 3.858 2.315 5.504 0.004 7 0 "[ . 1 . 2 ]" 1
259 1 28 ASP HB3 1 30 THR MG 5.500 . 6.050 4.307 2.173 5.636 . 0 0 "[ . 1 . 2 ]" 1
260 1 28 ASP HB2 1 30 THR MG 5.500 . 6.050 4.622 2.212 6.106 0.056 2 0 "[ . 1 . 2 ]" 1
261 1 19 ARG HA 1 19 ARG QD 4.770 . 5.250 4.132 3.904 4.497 . 0 0 "[ . 1 . 2 ]" 1
262 1 20 LYS QB 1 20 LYS QE 3.960 . 4.360 3.244 2.113 3.639 . 0 0 "[ . 1 . 2 ]" 1
263 1 95 GLU QG 1 104 ARG HD2 5.140 . 5.650 5.169 3.122 5.766 0.116 17 0 "[ . 1 . 2 ]" 1
264 1 50 LEU HB2 1 53 LEU QD 4.290 . 4.720 4.267 3.581 4.635 . 0 0 "[ . 1 . 2 ]" 1
265 1 50 LEU HB3 1 53 LEU QD 4.290 . 4.720 4.234 3.717 4.852 0.132 4 0 "[ . 1 . 2 ]" 1
266 1 20 LYS QD 1 43 GLU QB 5.410 . 5.950 4.511 3.729 4.962 . 0 0 "[ . 1 . 2 ]" 1
267 1 20 LYS QD 1 21 ILE MG 5.500 . 6.050 6.092 5.638 7.017 0.967 10 2 "[ . - + . 2 ]" 1
268 1 92 LEU QD 1 105 MET QB 5.190 . 5.710 2.252 1.844 3.117 . 0 0 "[ . 1 . 2 ]" 1
269 1 50 LEU MD1 1 99 GLU QG 4.260 . 4.690 3.579 2.682 4.551 . 0 0 "[ . 1 . 2 ]" 1
270 1 98 ASP HA 1 99 GLU QG 5.440 . 5.980 3.942 3.337 4.814 . 0 0 "[ . 1 . 2 ]" 1
271 1 95 GLU QG 1 104 ARG HB2 4.030 . 4.430 3.172 2.126 3.934 . 0 0 "[ . 1 . 2 ]" 1
272 1 95 GLU QG 1 104 ARG HD3 5.140 . 5.650 4.316 2.648 5.587 . 0 0 "[ . 1 . 2 ]" 1
273 1 95 GLU QG 1 104 ARG HA 5.350 . 5.890 5.210 4.577 5.944 0.054 2 0 "[ . 1 . 2 ]" 1
274 1 22 LYS QG 1 41 GLU QG 4.210 . 4.630 3.298 2.016 4.652 0.022 14 0 "[ . 1 . 2 ]" 1
275 1 70 GLU HA 1 70 GLU QG 3.270 . 3.600 2.529 2.273 3.308 . 0 0 "[ . 1 . 2 ]" 1
276 1 58 LEU HG 1 62 GLU QG 5.020 . 5.520 4.517 2.342 5.586 0.066 13 0 "[ . 1 . 2 ]" 1
277 1 92 LEU QD 1 100 VAL HB 5.170 . 5.690 5.670 5.244 5.885 0.195 14 0 "[ . 1 . 2 ]" 1
278 1 100 VAL HB 1 102 ALA MB 4.970 . 5.470 4.773 3.997 5.603 0.133 12 0 "[ . 1 . 2 ]" 1
279 1 2 LYS QE 1 6 PHE QD 4.690 . 5.160 4.452 2.301 6.416 1.256 21 1 "[ . 1 . 2+]" 1
280 1 22 LYS HA 1 22 LYS QE 4.400 . 4.840 4.404 3.827 4.794 . 0 0 "[ . 1 . 2 ]" 1
281 1 22 LYS QE 1 41 GLU QG 4.350 . 4.790 3.488 1.864 4.873 0.083 6 0 "[ . 1 . 2 ]" 1
282 1 22 LYS QE 1 22 LYS QG 2.980 . 3.280 2.214 2.116 2.891 . 0 0 "[ . 1 . 2 ]" 1
283 1 20 LYS QB 1 21 ILE HA 5.330 . 5.860 4.254 4.089 4.505 . 0 0 "[ . 1 . 2 ]" 1
284 1 19 ARG HA 1 20 LYS QB 5.340 . 5.870 4.285 3.879 4.590 . 0 0 "[ . 1 . 2 ]" 1
285 1 20 LYS QB 1 43 GLU QB 4.490 . 4.940 4.521 2.414 5.174 0.234 2 0 "[ . 1 . 2 ]" 1
286 1 68 CYS QB 1 77 LYS QB 4.980 . 5.480 3.185 2.243 4.586 . 0 0 "[ . 1 . 2 ]" 1
287 1 31 PHE QD 1 34 VAL HB 4.610 . 5.070 4.012 3.436 5.214 0.144 19 0 "[ . 1 . 2 ]" 1
288 1 34 VAL HB 1 35 LEU QD 4.610 . 5.070 4.017 2.420 5.185 0.115 2 0 "[ . 1 . 2 ]" 1
289 1 9 LYS HB2 1 9 LYS QE 4.800 . 5.280 3.457 2.144 4.207 . 0 0 "[ . 1 . 2 ]" 1
290 1 9 LYS HB3 1 9 LYS QE 4.800 . 5.280 3.869 2.877 4.547 . 0 0 "[ . 1 . 2 ]" 1
291 1 75 GLY QA 1 78 VAL HB 4.280 . 4.710 4.208 3.336 5.060 0.350 17 0 "[ . 1 . 2 ]" 1
292 1 2 LYS HA 1 2 LYS QD 3.310 . 3.640 3.079 1.827 4.434 0.794 21 1 "[ . 1 . 2+]" 1
293 1 2 LYS QD 1 6 PHE QD 5.230 . 5.750 4.454 2.308 5.785 0.035 10 0 "[ . 1 . 2 ]" 1
294 1 10 PRO QG 1 15 ILE MG 4.340 . 4.770 3.646 2.375 4.924 0.154 1 0 "[ . 1 . 2 ]" 1
295 1 15 ILE MG 1 16 PRO QG 4.630 . 5.090 4.199 3.583 4.975 . 0 0 "[ . 1 . 2 ]" 1
296 1 68 CYS QB 1 77 LYS HG2 3.970 . 4.370 3.365 2.154 4.353 . 0 0 "[ . 1 . 2 ]" 1
297 1 68 CYS QB 1 77 LYS HG3 3.970 . 4.370 3.651 2.237 4.660 0.290 9 0 "[ . 1 . 2 ]" 1
298 1 50 LEU MD2 1 99 GLU QG 4.260 . 4.690 3.537 2.237 4.369 . 0 0 "[ . 1 . 2 ]" 1
299 1 50 LEU MD2 1 93 PHE HA 5.140 . 5.650 4.791 3.715 5.788 0.138 10 0 "[ . 1 . 2 ]" 1
300 1 92 LEU QD 1 105 MET ME 4.130 . 4.540 2.578 1.973 3.914 . 0 0 "[ . 1 . 2 ]" 1
301 1 92 LEU QD 1 107 CYS QB 3.470 . 3.820 2.253 1.805 2.927 . 0 0 "[ . 1 . 2 ]" 1
302 1 92 LEU QD 1 100 VAL HA 5.460 . 6.010 4.686 4.199 5.301 . 0 0 "[ . 1 . 2 ]" 1
303 1 92 LEU HA 1 92 LEU QD 3.580 . 3.940 3.010 2.791 3.350 . 0 0 "[ . 1 . 2 ]" 1
304 1 69 LYS HA 1 78 VAL MG1 4.250 . 4.680 4.117 3.067 4.843 0.163 18 0 "[ . 1 . 2 ]" 1
305 1 81 LEU HA 1 84 ARG QG 3.480 . 3.830 3.703 2.161 3.964 0.134 20 0 "[ . 1 . 2 ]" 1
306 1 84 ARG QG 1 89 TYR HA 4.550 . 5.010 3.593 2.309 5.246 0.236 20 0 "[ . 1 . 2 ]" 1
307 1 81 LEU H 1 84 ARG QG 4.710 . 5.180 5.116 4.308 5.536 0.356 10 0 "[ . 1 . 2 ]" 1
308 1 48 VAL QG 1 49 THR MG 4.120 . 4.530 3.964 2.595 4.385 . 0 0 "[ . 1 . 2 ]" 1
309 1 95 GLU QG 1 104 ARG HB3 4.030 . 4.430 3.528 2.906 4.488 0.058 14 0 "[ . 1 . 2 ]" 1
310 1 100 VAL HA 1 100 VAL MG2 3.540 . 3.890 2.241 1.975 2.316 . 0 0 "[ . 1 . 2 ]" 1
311 1 18 THR HA 1 18 THR MG 3.180 . 3.500 2.646 2.304 3.186 . 0 0 "[ . 1 . 2 ]" 1
312 1 91 TYR QD 1 109 PHE HA 4.750 . 5.220 3.323 2.355 4.018 . 0 0 "[ . 1 . 2 ]" 1
313 1 92 LEU QD 1 107 CYS HA 3.600 . 3.960 3.349 2.945 3.606 . 0 0 "[ . 1 . 2 ]" 1
314 1 105 MET ME 1 107 CYS HA 5.210 . 5.730 5.655 4.963 6.048 0.318 17 0 "[ . 1 . 2 ]" 1
315 1 105 MET ME 1 106 TYR HA 5.270 . 5.800 5.171 4.119 5.815 0.015 15 0 "[ . 1 . 2 ]" 1
316 1 83 ASP HA 1 86 ALA MB 3.800 . 4.180 2.800 2.269 3.831 . 0 0 "[ . 1 . 2 ]" 1
317 1 53 LEU HA 1 57 VAL QG 4.130 . 4.540 3.716 2.902 4.361 . 0 0 "[ . 1 . 2 ]" 1
318 1 48 VAL QG 1 53 LEU HA 4.160 . 4.580 3.919 2.828 4.805 0.225 14 0 "[ . 1 . 2 ]" 1
319 1 35 LEU HA 1 38 ALA MB 3.740 . 4.110 2.545 2.199 2.961 . 0 0 "[ . 1 . 2 ]" 1
320 1 51 ASP HA 1 54 LEU QB 4.580 . 5.040 3.034 2.622 4.499 . 0 0 "[ . 1 . 2 ]" 1
321 1 85 LEU HA 1 85 LEU QD 3.570 . 3.930 2.410 1.961 3.052 . 0 0 "[ . 1 . 2 ]" 1
322 1 6 PHE HA 1 6 PHE QD 3.850 . 4.230 2.629 2.022 2.984 . 0 0 "[ . 1 . 2 ]" 1
323 1 106 TYR QE 1 110 SER HA 4.590 . 5.050 5.242 4.845 5.956 0.906 15 3 "[ . * 1 + - ]" 1
324 1 91 TYR QD 1 110 SER HA 4.870 . 5.360 4.722 3.311 5.534 0.174 17 0 "[ . 1 . 2 ]" 1
325 1 110 SER HA 1 111 ALA MB 4.700 . 5.170 3.888 3.808 3.991 . 0 0 "[ . 1 . 2 ]" 1
326 1 37 LYS HA 1 37 LYS QG 3.710 . 4.080 2.353 2.152 2.958 . 0 0 "[ . 1 . 2 ]" 1
327 1 21 ILE MD 1 23 ILE HA 4.360 . 4.800 4.859 4.331 5.113 0.313 7 0 "[ . 1 . 2 ]" 1
328 1 23 ILE HA 1 105 MET ME 4.290 . 4.720 4.640 3.085 5.023 0.303 13 0 "[ . 1 . 2 ]" 1
329 1 54 LEU HA 1 54 LEU QD 3.030 . 3.330 2.315 1.965 3.403 0.073 13 0 "[ . 1 . 2 ]" 1
330 1 15 ILE HA 1 15 ILE MG 3.300 . 3.630 2.236 2.175 2.418 . 0 0 "[ . 1 . 2 ]" 1
331 1 10 PRO QG 1 15 ILE HA 4.080 . 4.490 4.131 2.495 5.109 0.619 15 1 "[ . 1 + 2 ]" 1
332 1 30 THR MG 1 31 PHE HA 4.500 . 4.950 3.971 3.074 5.184 0.234 15 0 "[ . 1 . 2 ]" 1
333 1 31 PHE HA 1 34 VAL MG1 4.670 . 5.140 3.733 3.287 4.105 . 0 0 "[ . 1 . 2 ]" 1
334 1 31 PHE HA 1 34 VAL MG2 4.670 . 5.140 3.080 2.004 3.548 . 0 0 "[ . 1 . 2 ]" 1
335 1 95 GLU HA 1 95 GLU QG 3.630 . 3.990 2.450 2.238 3.293 . 0 0 "[ . 1 . 2 ]" 1
336 1 50 LEU HA 1 53 LEU QD 3.910 . 4.300 2.997 2.255 3.584 . 0 0 "[ . 1 . 2 ]" 1
337 1 68 CYS QB 1 77 LYS HA 4.970 . 5.470 5.389 4.669 5.842 0.372 16 0 "[ . 1 . 2 ]" 1
338 1 89 TYR HA 1 89 TYR QD 4.110 . 4.520 3.393 2.331 3.702 . 0 0 "[ . 1 . 2 ]" 1
339 1 49 THR HA 1 49 THR MG 3.470 . 3.820 2.442 2.247 3.146 . 0 0 "[ . 1 . 2 ]" 1
340 1 69 LYS HA 1 78 VAL MG2 4.250 . 4.680 3.646 2.109 4.822 0.142 12 0 "[ . 1 . 2 ]" 1
341 1 69 LYS HA 1 75 GLY QA 4.220 . 4.640 2.934 2.306 3.845 . 0 0 "[ . 1 . 2 ]" 1
342 1 101 ILE HA 1 102 ALA MB 4.360 . 4.800 3.877 3.844 3.956 . 0 0 "[ . 1 . 2 ]" 1
343 1 90 VAL HA 1 90 VAL MG2 3.570 . 3.930 2.864 2.234 3.194 . 0 0 "[ . 1 . 2 ]" 1
344 1 74 ILE HA 1 74 ILE MG 3.410 . 3.750 2.262 2.197 2.363 . 0 0 "[ . 1 . 2 ]" 1
345 1 90 VAL HA 1 90 VAL MG1 3.570 . 3.930 2.384 2.144 3.195 . 0 0 "[ . 1 . 2 ]" 1
346 1 90 VAL HA 1 109 PHE QD 4.870 . 5.360 4.174 2.581 5.412 0.052 13 0 "[ . 1 . 2 ]" 1
347 1 15 ILE MG 1 16 PRO HA 4.830 . 5.310 5.164 4.244 5.785 0.475 1 0 "[ . 1 . 2 ]" 1
348 1 102 ALA MB 1 103 PRO HA 4.700 . 5.170 4.406 4.335 4.515 . 0 0 "[ . 1 . 2 ]" 1
349 1 34 VAL HA 1 34 VAL MG1 3.400 . 3.740 2.372 2.323 2.419 . 0 0 "[ . 1 . 2 ]" 1
350 1 60 ALA MB 1 61 VAL HA 3.810 . 4.190 3.775 3.724 3.835 . 0 0 "[ . 1 . 2 ]" 1
351 1 77 LYS QD 1 78 VAL HA 4.590 . 5.050 4.771 2.665 5.264 0.214 13 0 "[ . 1 . 2 ]" 1
352 1 57 VAL HA 1 57 VAL QG 3.080 . 3.390 2.161 2.001 2.271 . 0 0 "[ . 1 . 2 ]" 1
353 1 76 THR HA 1 76 THR MG 2.980 . 3.280 2.364 2.127 3.150 . 0 0 "[ . 1 . 2 ]" 1
354 1 30 THR HA 1 30 THR MG 3.180 . 3.500 2.564 2.157 3.197 . 0 0 "[ . 1 . 2 ]" 1
355 1 100 VAL HA 1 100 VAL MG1 3.540 . 3.890 2.708 2.292 3.195 . 0 0 "[ . 1 . 2 ]" 1
356 1 34 VAL HA 1 34 VAL MG2 3.400 . 3.740 2.441 2.312 3.177 . 0 0 "[ . 1 . 2 ]" 1
357 1 39 CYS HA 1 60 ALA MB 4.300 . 4.730 4.652 3.666 5.010 0.280 15 0 "[ . 1 . 2 ]" 1
358 1 39 CYS HB2 1 60 ALA MB 3.900 . 4.290 3.709 3.127 4.452 0.162 9 0 "[ . 1 . 2 ]" 1
359 1 39 CYS HB3 1 60 ALA MB 3.900 . 4.290 4.098 2.861 4.527 0.237 6 0 "[ . 1 . 2 ]" 1
360 1 60 ALA MB 1 61 VAL QG 3.600 . 3.960 2.964 2.661 3.373 . 0 0 "[ . 1 . 2 ]" 1
361 1 29 ALA MB 1 30 THR HA 4.480 . 4.930 3.781 3.683 3.883 . 0 0 "[ . 1 . 2 ]" 1
362 1 29 ALA MB 1 30 THR MG 4.710 . 5.180 3.998 2.408 4.995 . 0 0 "[ . 1 . 2 ]" 1
363 1 25 PHE QD 1 26 ALA MB 4.500 . 4.950 4.691 4.169 5.120 0.170 19 0 "[ . 1 . 2 ]" 1
364 1 21 ILE MD 1 21 ILE MG 3.590 . 3.950 2.436 1.808 3.280 . 0 0 "[ . 1 . 2 ]" 1
365 1 105 MET ME 1 107 CYS QB 3.640 . 4.000 3.651 3.032 4.132 0.132 15 0 "[ . 1 . 2 ]" 1
366 1 101 ILE MG 1 105 MET ME 3.740 . 4.110 3.977 3.287 4.269 0.159 13 0 "[ . 1 . 2 ]" 1
367 1 21 ILE MD 1 105 MET ME 3.320 . 3.650 2.460 1.817 3.502 . 0 0 "[ . 1 . 2 ]" 1
368 1 21 ILE HA 1 23 ILE MD 3.680 . 4.050 3.745 2.873 4.383 0.333 14 0 "[ . 1 . 2 ]" 1
369 1 74 ILE HB 1 74 ILE MD 3.410 . 3.750 2.504 2.239 3.226 . 0 0 "[ . 1 . 2 ]" 1
370 1 74 ILE HA 1 74 ILE MD 3.960 . 4.360 3.440 2.097 3.935 . 0 0 "[ . 1 . 2 ]" 1
371 1 15 ILE HB 1 15 ILE MD 3.190 . 3.510 2.635 2.251 3.241 . 0 0 "[ . 1 . 2 ]" 1
372 1 50 LEU HA 1 101 ILE MD 3.300 . 3.630 2.765 2.266 3.790 0.160 12 0 "[ . 1 . 2 ]" 1
373 1 49 THR HB 1 101 ILE MD 3.860 . 4.250 4.214 3.345 4.634 0.384 2 0 "[ . 1 . 2 ]" 1
374 1 15 ILE HA 1 15 ILE MD 3.790 . 4.170 3.539 2.066 4.145 . 0 0 "[ . 1 . 2 ]" 1
375 1 15 ILE MD 1 16 PRO HD2 4.460 . 4.910 4.287 3.579 5.178 0.268 20 0 "[ . 1 . 2 ]" 1
376 1 15 ILE MD 1 16 PRO HD3 4.460 . 4.910 4.955 3.675 5.682 0.772 20 3 "[ . * . +-]" 1
377 1 53 LEU QD 1 54 LEU HA 4.110 . 4.520 4.210 2.366 4.966 0.446 10 0 "[ . 1 . 2 ]" 1
378 1 92 LEU QD 1 102 ALA H 3.620 . 3.980 3.960 3.608 4.218 0.238 6 0 "[ . 1 . 2 ]" 1
379 1 29 ALA H 1 29 ALA MB 3.430 . 3.770 2.387 2.201 2.977 . 0 0 "[ . 1 . 2 ]" 1
380 1 21 ILE MG 1 22 LYS H 4.000 . 4.400 3.710 2.340 4.166 . 0 0 "[ . 1 . 2 ]" 1
381 1 106 TYR QE 1 111 ALA H 4.840 . 5.320 5.398 5.020 5.557 0.237 7 0 "[ . 1 . 2 ]" 1
382 1 111 ALA H 1 111 ALA MB 3.110 . 3.420 2.214 2.059 2.314 . 0 0 "[ . 1 . 2 ]" 1
383 1 20 LYS QB 1 21 ILE H 3.890 . 4.280 3.059 2.756 3.733 . 0 0 "[ . 1 . 2 ]" 1
384 1 12 VAL QG 1 13 ARG H 4.030 . 4.430 2.760 1.586 3.737 0.214 21 0 "[ . 1 . 2 ]" 1
385 1 25 PHE H 1 25 PHE QD 4.440 . 4.880 4.016 3.111 4.452 . 0 0 "[ . 1 . 2 ]" 1
386 1 112 PRO QD 1 114 ASP H 4.440 . 4.880 4.467 3.930 5.079 0.199 9 0 "[ . 1 . 2 ]" 1
387 1 111 ALA MB 1 114 ASP H 4.390 . 4.830 3.200 2.240 4.372 . 0 0 "[ . 1 . 2 ]" 1
388 1 99 GLU H 1 99 GLU QG 3.480 . 3.830 2.458 1.757 3.350 0.043 15 0 "[ . 1 . 2 ]" 1
389 1 15 ILE H 1 15 ILE MG 4.360 . 4.800 3.083 2.365 3.866 . 0 0 "[ . 1 . 2 ]" 1
390 1 26 ALA MB 1 27 LEU H 4.220 . 4.640 3.044 2.652 3.431 . 0 0 "[ . 1 . 2 ]" 1
391 1 90 VAL H 1 90 VAL MG1 4.450 . 4.890 2.994 1.913 3.958 . 0 0 "[ . 1 . 2 ]" 1
392 1 90 VAL H 1 90 VAL MG2 4.450 . 4.890 2.325 1.795 3.793 0.005 8 0 "[ . 1 . 2 ]" 1
393 1 90 VAL MG1 1 91 TYR H 4.190 . 4.610 3.343 2.232 3.965 . 0 0 "[ . 1 . 2 ]" 1
394 1 90 VAL MG2 1 91 TYR H 4.190 . 4.610 3.697 1.861 4.410 . 0 0 "[ . 1 . 2 ]" 1
395 1 3 LYS H 1 3 LYS QB 3.400 . 3.740 2.657 2.253 3.437 . 0 0 "[ . 1 . 2 ]" 1
396 1 14 LYS H 1 14 LYS QG 4.620 . 5.080 2.523 1.858 4.167 . 0 0 "[ . 1 . 2 ]" 1
397 1 60 ALA H 1 61 VAL QG 4.180 . 4.600 4.053 3.467 4.290 . 0 0 "[ . 1 . 2 ]" 1
398 1 34 VAL H 1 34 VAL MG1 3.980 . 4.380 3.573 1.950 3.757 . 0 0 "[ . 1 . 2 ]" 1
399 1 34 VAL H 1 34 VAL MG2 3.980 . 4.380 2.120 1.917 2.207 . 0 0 "[ . 1 . 2 ]" 1
400 1 34 VAL H 1 35 LEU QD 4.460 . 4.910 4.928 3.854 5.710 0.800 21 10 "[*** * ** * * .- 2+]" 1
401 1 88 ASP H 1 88 ASP QB 3.350 . 3.690 2.598 2.121 3.439 . 0 0 "[ . 1 . 2 ]" 1
402 1 86 ALA MB 1 88 ASP H 4.480 . 4.930 3.974 2.816 5.220 0.290 2 0 "[ . 1 . 2 ]" 1
403 1 49 THR MG 1 50 LEU H 3.810 . 4.190 3.802 2.646 4.238 0.048 15 0 "[ . 1 . 2 ]" 1
404 1 60 ALA MB 1 61 VAL H 3.810 . 4.190 2.366 2.177 2.610 . 0 0 "[ . 1 . 2 ]" 1
405 1 56 VAL QG 1 57 VAL H 3.710 . 4.080 2.720 1.703 3.273 0.097 6 0 "[ . 1 . 2 ]" 1
406 1 80 ALA MB 1 84 ARG H 4.440 . 4.880 4.488 4.241 4.797 . 0 0 "[ . 1 . 2 ]" 1
407 1 84 ARG H 1 84 ARG QG 4.140 . 4.550 2.553 2.098 3.561 . 0 0 "[ . 1 . 2 ]" 1
408 1 77 LYS H 1 77 LYS QB 3.740 . 4.110 2.330 2.039 2.927 . 0 0 "[ . 1 . 2 ]" 1
409 1 76 THR MG 1 77 LYS H 4.630 . 5.090 3.826 2.694 4.291 . 0 0 "[ . 1 . 2 ]" 1
410 1 8 ASP QB 1 9 LYS H 3.880 . 4.270 2.723 1.757 4.025 0.043 7 0 "[ . 1 . 2 ]" 1
411 1 18 THR MG 1 46 LYS H 4.540 . 4.990 4.240 2.756 5.302 0.312 16 0 "[ . 1 . 2 ]" 1
412 1 71 HIS H 1 75 GLY QA 4.280 . 4.710 4.078 2.802 4.795 0.085 5 0 "[ . 1 . 2 ]" 1
413 1 48 VAL H 1 48 VAL QG 3.470 . 3.820 2.183 1.759 2.896 0.041 18 0 "[ . 1 . 2 ]" 1
414 1 12 VAL H 1 12 VAL QG 4.040 . 4.440 2.042 1.773 2.631 0.027 7 0 "[ . 1 . 2 ]" 1
415 1 99 GLU QG 1 100 VAL H 4.300 . 4.730 4.350 4.285 4.438 . 0 0 "[ . 1 . 2 ]" 1
416 1 8 ASP H 1 8 ASP QB 3.370 . 3.710 2.794 2.286 3.504 . 0 0 "[ . 1 . 2 ]" 1
417 1 20 LYS H 1 20 LYS QB 3.380 . 3.720 2.546 2.365 3.151 . 0 0 "[ . 1 . 2 ]" 1
418 1 107 CYS QB 1 108 SER H 4.420 . 4.860 3.688 3.195 3.906 . 0 0 "[ . 1 . 2 ]" 1
419 1 90 VAL MG1 1 108 SER H 4.650 . 5.120 3.909 2.305 5.066 . 0 0 "[ . 1 . 2 ]" 1
420 1 92 LEU QD 1 108 SER H 4.260 . 4.690 4.842 4.497 5.072 0.382 14 0 "[ . 1 . 2 ]" 1
421 1 90 VAL MG2 1 108 SER H 4.650 . 5.120 4.334 2.755 5.125 0.005 6 0 "[ . 1 . 2 ]" 1
422 1 94 ASP H 1 102 ALA MB 4.960 . 5.460 5.265 4.668 5.570 0.110 15 0 "[ . 1 . 2 ]" 1
423 1 89 TYR H 1 89 TYR QE 4.500 . 4.950 4.529 3.291 6.502 1.552 4 6 "[ +. 1 * *-* * ]" 1
424 1 38 ALA H 1 38 ALA MB 3.320 . 3.650 2.230 2.123 2.315 . 0 0 "[ . 1 . 2 ]" 1
425 1 41 GLU H 1 41 GLU QG 4.400 . 4.840 3.285 1.808 4.340 . 0 0 "[ . 1 . 2 ]" 1
426 1 56 VAL H 1 57 VAL QG 3.440 . 3.780 3.981 3.654 4.293 0.513 21 1 "[ . 1 . 2+]" 1
427 1 92 LEU QD 1 107 CYS H 4.860 . 5.350 4.055 3.104 4.528 . 0 0 "[ . 1 . 2 ]" 1
428 1 68 CYS QB 1 69 LYS H 4.610 . 5.070 2.878 1.793 3.521 0.007 5 0 "[ . 1 . 2 ]" 1
429 1 62 GLU H 1 62 GLU QB 3.330 . 3.660 2.306 2.238 2.505 . 0 0 "[ . 1 . 2 ]" 1
430 1 61 VAL QG 1 62 GLU H 4.440 . 4.880 2.814 1.857 3.174 . 0 0 "[ . 1 . 2 ]" 1
431 1 85 LEU H 1 85 LEU QD 3.520 . 3.870 3.588 2.103 3.756 . 0 0 "[ . 1 . 2 ]" 1
432 1 43 GLU QB 1 44 VAL H 3.890 . 4.280 3.195 2.248 3.893 . 0 0 "[ . 1 . 2 ]" 1
433 1 20 LYS QB 1 44 VAL H 4.450 . 4.890 4.677 3.959 5.300 0.410 1 0 "[ . 1 . 2 ]" 1
434 1 44 VAL H 1 44 VAL MG2 4.000 . 4.400 2.668 1.858 3.882 . 0 0 "[ . 1 . 2 ]" 1
435 1 44 VAL H 1 44 VAL MG1 4.000 . 4.400 3.317 1.961 3.920 . 0 0 "[ . 1 . 2 ]" 1
436 1 18 THR MG 1 19 ARG H 4.730 . 5.200 3.746 2.269 4.206 . 0 0 "[ . 1 . 2 ]" 1
437 1 17 SER H 1 18 THR MG 4.780 . 5.260 3.340 2.562 4.065 . 0 0 "[ . 1 . 2 ]" 1
438 1 95 GLU H 1 95 GLU QG 4.070 . 4.480 2.611 1.803 4.072 . 0 0 "[ . 1 . 2 ]" 1
439 1 62 GLU QB 1 63 SER H 3.740 . 4.110 2.495 2.285 2.652 . 0 0 "[ . 1 . 2 ]" 1
440 1 30 THR H 1 30 THR MG 4.050 . 4.460 2.830 1.719 3.745 0.081 18 0 "[ . 1 . 2 ]" 1
441 1 86 ALA H 1 86 ALA MB 3.140 . 3.450 2.230 2.171 2.356 . 0 0 "[ . 1 . 2 ]" 1
442 1 85 LEU QD 1 86 ALA H 3.960 . 4.360 3.739 2.784 4.248 . 0 0 "[ . 1 . 2 ]" 1
443 1 57 VAL QG 1 59 ASP H 4.670 . 5.140 4.394 3.982 4.806 . 0 0 "[ . 1 . 2 ]" 1
444 1 92 LEU QD 1 93 PHE H 4.060 . 4.470 2.823 2.383 3.245 . 0 0 "[ . 1 . 2 ]" 1
445 1 93 PHE H 1 107 CYS QB 4.600 . 5.060 4.971 4.673 5.305 0.245 16 0 "[ . 1 . 2 ]" 1
446 1 76 THR H 1 76 THR MG 3.770 . 4.150 2.998 1.740 3.930 0.060 6 0 "[ . 1 . 2 ]" 1
447 1 76 THR H 1 77 LYS QB 4.680 . 5.150 4.799 4.145 5.645 0.495 5 0 "[ . 1 . 2 ]" 1
448 1 48 VAL QG 1 49 THR H 4.460 . 4.910 2.637 1.726 3.614 0.074 5 0 "[ . 1 . 2 ]" 1
449 1 49 THR H 1 49 THR MG 4.180 . 4.600 2.391 1.765 3.879 0.035 15 0 "[ . 1 . 2 ]" 1
450 1 30 THR MG 1 31 PHE H 4.230 . 4.650 2.947 1.748 3.464 0.052 16 0 "[ . 1 . 2 ]" 1
451 1 35 LEU QB 1 36 SER H 4.660 . 5.130 2.570 2.329 2.711 . 0 0 "[ . 1 . 2 ]" 1
452 1 35 LEU QD 1 36 SER H 4.720 . 5.190 3.828 3.070 4.102 . 0 0 "[ . 1 . 2 ]" 1
453 1 18 THR H 1 18 THR MG 3.780 . 4.160 2.158 1.790 2.849 0.010 13 0 "[ . 1 . 2 ]" 1
454 1 95 GLU QB 1 96 GLY H 4.220 . 4.640 3.421 2.116 4.039 . 0 0 "[ . 1 . 2 ]" 1
455 1 95 GLU QG 1 96 GLY H 4.680 . 5.150 4.334 3.882 4.605 . 0 0 "[ . 1 . 2 ]" 1
456 1 87 GLY H 1 88 ASP QB 4.610 . 5.070 4.431 3.462 5.254 0.184 19 0 "[ . 1 . 2 ]" 1
457 1 86 ALA MB 1 87 GLY H 3.580 . 3.940 2.661 2.283 3.287 . 0 0 "[ . 1 . 2 ]" 1
458 1 89 TYR QE 1 90 VAL H 5.070 . 5.580 4.868 3.548 5.883 0.303 7 0 "[ . 1 . 2 ]" 1
459 1 31 PHE QD 1 32 ASP H 5.060 . 5.570 4.285 3.704 4.836 . 0 0 "[ . 1 . 2 ]" 1
460 1 68 CYS QB 1 78 VAL H 4.950 . 5.440 3.456 2.638 4.348 . 0 0 "[ . 1 . 2 ]" 1
461 1 6 PHE H 1 6 PHE QE 5.130 . 5.640 5.081 3.991 6.102 0.462 16 0 "[ . 1 . 2 ]" 1
462 1 30 THR H 1 31 PHE QD 5.150 . 5.670 5.064 4.151 6.435 0.765 10 6 "[ .*** +* .- 2 ]" 1
463 1 112 PRO QD 1 113 ASP H 3.030 . 3.330 2.831 2.682 2.976 . 0 0 "[ . 1 . 2 ]" 1
464 1 112 PRO QG 1 113 ASP H 3.580 . 3.940 3.653 2.569 3.840 . 0 0 "[ . 1 . 2 ]" 1
465 1 25 PHE QD 1 106 TYR QD 4.090 . 4.500 4.355 2.993 4.598 0.098 19 0 "[ . 1 . 2 ]" 1
466 1 25 PHE QE 1 106 TYR QD 4.330 . 4.760 4.048 2.748 4.800 0.040 17 0 "[ . 1 . 2 ]" 1
467 1 90 VAL HA 1 91 TYR QE 4.320 . 4.750 4.627 3.428 4.889 0.139 20 0 "[ . 1 . 2 ]" 1
468 1 30 THR MG 1 31 PHE QD 3.880 . 4.270 3.965 3.081 4.516 0.246 8 0 "[ . 1 . 2 ]" 1
469 1 42 PHE QD 1 56 VAL QG 3.670 . 4.040 3.478 2.651 4.099 0.059 19 0 "[ . 1 . 2 ]" 1
470 1 39 CYS HG 1 42 PHE QD 4.370 . 4.810 3.866 2.004 4.892 0.082 4 0 "[ . 1 . 2 ]" 1
471 1 42 PHE HA 1 42 PHE QD 4.190 . 4.610 2.635 2.242 3.145 . 0 0 "[ . 1 . 2 ]" 1
472 1 31 PHE HA 1 31 PHE QD 3.980 . 4.380 2.490 2.306 3.089 . 0 0 "[ . 1 . 2 ]" 1
473 1 89 TYR QD 1 90 VAL HA 3.500 . 3.850 3.863 2.722 4.837 0.987 9 3 "[ . +1 *. - 2 ]" 1
474 1 89 TYR QD 1 91 TYR HA 4.680 . 5.150 4.730 3.240 6.809 1.659 4 6 "[ - +. 1 * .** * ]" 1
475 1 89 TYR QD 1 91 TYR QD 4.260 . 4.690 4.371 2.748 4.830 0.140 4 0 "[ . 1 . 2 ]" 1
476 1 89 TYR QE 1 91 TYR QE 4.340 . 4.770 3.640 2.311 4.844 0.074 17 0 "[ . 1 . 2 ]" 1
477 1 91 TYR HA 1 91 TYR QD 4.270 . 4.700 2.558 2.245 3.573 . 0 0 "[ . 1 . 2 ]" 1
478 1 91 TYR QD 1 111 ALA HA 3.640 . 4.000 3.972 3.544 4.154 0.154 4 0 "[ . 1 . 2 ]" 1
479 1 91 TYR QD 1 111 ALA MB 3.950 . 4.350 4.105 3.315 4.405 0.055 12 0 "[ . 1 . 2 ]" 1
480 1 91 TYR QE 1 111 ALA MB 4.530 . 4.980 4.681 2.952 5.043 0.063 5 0 "[ . 1 . 2 ]" 1
481 1 109 PHE HA 1 109 PHE QD 4.180 . 4.600 3.154 2.324 3.711 . 0 0 "[ . 1 . 2 ]" 1
482 1 6 PHE HA 1 6 PHE QE 4.390 . 4.830 4.390 4.179 4.643 . 0 0 "[ . 1 . 2 ]" 1
483 1 2 LYS HA 1 2 LYS QB 2.590 . 2.850 2.444 2.164 2.551 . 0 0 "[ . 1 . 2 ]" 1
484 1 2 LYS HA 1 2 LYS QG 3.190 . 3.510 2.405 2.175 3.155 . 0 0 "[ . 1 . 2 ]" 1
485 1 2 LYS QB 1 2 LYS QE 3.790 . 4.170 3.136 2.004 3.804 . 0 0 "[ . 1 . 2 ]" 1
486 1 2 LYS QB 1 4 VAL QG 3.920 . 4.310 3.339 2.215 5.531 1.221 21 1 "[ . 1 . 2+]" 1
487 1 2 LYS QB 1 6 PHE QB 5.180 . 5.700 5.267 3.905 6.279 0.579 1 1 "[+ . 1 . 2 ]" 1
488 1 2 LYS QB 1 6 PHE QD 5.180 . 5.700 4.523 3.127 6.014 0.314 1 0 "[ . 1 . 2 ]" 1
489 1 2 LYS QD 1 2 LYS QG 2.310 . 2.540 2.075 2.003 2.114 . 0 0 "[ . 1 . 2 ]" 1
490 1 2 LYS QE 1 2 LYS QG 2.570 . 2.830 2.224 2.088 2.446 . 0 0 "[ . 1 . 2 ]" 1
491 1 2 LYS QD 1 4 VAL QG 3.610 . 3.970 3.440 1.983 5.920 1.950 21 2 "[- . 1 . 2+]" 1
492 1 4 VAL HA 1 5 GLU QG 4.540 . 4.990 4.055 2.953 5.969 0.979 1 2 "[+ . 1 . 2-]" 1
493 1 4 VAL QG 1 5 GLU H 4.150 . 4.570 2.907 1.726 3.715 0.074 2 0 "[ . 1 . 2 ]" 1
494 1 4 VAL QG 1 5 GLU QB 4.520 . 4.970 3.970 2.374 4.863 . 0 0 "[ . 1 . 2 ]" 1
495 1 4 VAL QG 1 6 PHE HA 4.810 . 5.290 4.404 2.984 6.298 1.008 21 2 "[- . 1 . 2+]" 1
496 1 4 VAL QG 1 6 PHE QB 5.280 . 5.810 4.316 2.037 5.921 0.111 2 0 "[ . 1 . 2 ]" 1
497 1 5 GLU HA 1 5 GLU QG 3.630 . 3.990 2.682 2.246 3.525 . 0 0 "[ . 1 . 2 ]" 1
498 1 6 PHE H 1 6 PHE QB 3.330 . 3.660 2.567 2.067 3.245 . 0 0 "[ . 1 . 2 ]" 1
499 1 6 PHE QB 1 7 ASN QB 4.300 . 4.730 4.109 3.265 5.019 0.289 1 0 "[ . 1 . 2 ]" 1
500 1 8 ASP QB 1 9 LYS QB 4.680 . 5.150 4.405 3.547 5.195 0.045 19 0 "[ . 1 . 2 ]" 1
501 1 8 ASP QB 1 9 LYS QG 4.800 . 5.280 4.170 2.413 5.592 0.312 10 0 "[ . 1 . 2 ]" 1
502 1 9 LYS H 1 9 LYS QB 3.100 . 3.410 2.641 2.089 3.088 . 0 0 "[ . 1 . 2 ]" 1
503 1 9 LYS HA 1 10 PRO QB 5.110 . 5.620 4.693 4.564 5.210 . 0 0 "[ . 1 . 2 ]" 1
504 1 9 LYS QB 1 9 LYS QE 4.060 . 4.470 3.162 2.089 3.840 . 0 0 "[ . 1 . 2 ]" 1
505 1 9 LYS QB 1 10 PRO QD 3.150 . 3.470 2.497 2.171 3.589 0.119 11 0 "[ . 1 . 2 ]" 1
506 1 9 LYS QG 1 10 PRO HA 4.700 . 5.170 5.073 4.347 6.765 1.595 1 1 "[+ . 1 . 2 ]" 1
507 1 9 LYS QG 1 10 PRO QD 3.930 . 4.320 3.360 2.122 4.318 . 0 0 "[ . 1 . 2 ]" 1
508 1 10 PRO QB 1 11 LYS H 3.880 . 4.270 2.952 1.821 4.024 . 0 0 "[ . 1 . 2 ]" 1
509 1 13 ARG HA 1 13 ARG QG 3.420 . 3.760 2.510 2.270 3.533 . 0 0 "[ . 1 . 2 ]" 1
510 1 13 ARG QB 1 13 ARG QD 3.040 . 3.340 2.249 2.122 2.400 . 0 0 "[ . 1 . 2 ]" 1
511 1 15 ILE H 1 15 ILE QG 3.690 . 4.060 1.960 1.717 2.773 0.083 3 0 "[ . 1 . 2 ]" 1
512 1 15 ILE HB 1 16 PRO QD 4.150 . 4.570 2.830 1.836 4.363 . 0 0 "[ . 1 . 2 ]" 1
513 1 15 ILE MG 1 16 PRO QD 3.200 . 3.520 2.582 2.057 3.376 . 0 0 "[ . 1 . 2 ]" 1
514 1 15 ILE QG 1 16 PRO QD 4.130 . 4.540 3.946 2.944 4.456 . 0 0 "[ . 1 . 2 ]" 1
515 1 16 PRO QB 1 17 SER H 3.730 . 4.100 2.862 1.782 3.611 0.018 17 0 "[ . 1 . 2 ]" 1
516 1 16 PRO QB 1 18 THR H 4.210 . 4.630 2.625 2.152 3.704 . 0 0 "[ . 1 . 2 ]" 1
517 1 16 PRO QB 1 18 THR MG 3.130 . 3.440 3.016 2.226 3.814 0.374 18 0 "[ . 1 . 2 ]" 1
518 1 18 THR HA 1 45 ASP QB 5.020 . 5.520 4.240 2.777 5.466 . 0 0 "[ . 1 . 2 ]" 1
519 1 18 THR HB 1 45 ASP QB 4.720 . 5.190 3.659 2.112 4.796 . 0 0 "[ . 1 . 2 ]" 1
520 1 19 ARG QB 1 19 ARG QD 3.300 . 3.630 2.210 2.110 2.335 . 0 0 "[ . 1 . 2 ]" 1
521 1 19 ARG QB 1 20 LYS H 3.720 . 4.090 2.688 2.093 3.545 . 0 0 "[ . 1 . 2 ]" 1
522 1 19 ARG QB 1 44 VAL QG 4.100 . 4.510 3.245 2.133 4.640 0.130 7 0 "[ . 1 . 2 ]" 1
523 1 19 ARG QD 1 44 VAL QG 4.160 . 4.580 3.812 2.731 4.845 0.265 21 0 "[ . 1 . 2 ]" 1
524 1 20 LYS H 1 20 LYS QG 3.850 . 4.230 2.932 2.154 4.109 . 0 0 "[ . 1 . 2 ]" 1
525 1 20 LYS QG 1 43 GLU QB 3.800 . 4.180 3.213 2.539 4.233 0.053 16 0 "[ . 1 . 2 ]" 1
526 1 21 ILE QG 1 21 ILE MG 3.150 . 3.470 2.206 2.097 2.448 . 0 0 "[ . 1 . 2 ]" 1
527 1 21 ILE QG 1 44 VAL QG 3.440 . 3.780 3.153 2.006 4.021 0.241 1 0 "[ . 1 . 2 ]" 1
528 1 21 ILE QG 1 105 MET ME 3.540 . 3.890 3.581 2.265 4.011 0.121 17 0 "[ . 1 . 2 ]" 1
529 1 22 LYS H 1 22 LYS QB 3.540 . 3.890 2.597 2.360 2.990 . 0 0 "[ . 1 . 2 ]" 1
530 1 22 LYS QB 1 22 LYS QE 3.790 . 4.170 3.219 2.048 3.658 . 0 0 "[ . 1 . 2 ]" 1
531 1 22 LYS QB 1 23 ILE MD 3.750 . 4.130 3.495 2.257 4.412 0.282 20 0 "[ . 1 . 2 ]" 1
532 1 22 LYS QB 1 41 GLU QG 5.340 . 5.870 3.964 2.227 5.950 0.080 17 0 "[ . 1 . 2 ]" 1
533 1 26 ALA HA 1 27 LEU QB 5.340 . 5.870 4.387 4.132 4.683 . 0 0 "[ . 1 . 2 ]" 1
534 1 26 ALA HA 1 27 LEU QD 3.630 . 3.990 3.474 2.759 4.249 0.259 3 0 "[ . 1 . 2 ]" 1
535 1 27 LEU H 1 28 ASP QB 4.670 . 5.140 4.745 3.432 5.204 0.064 12 0 "[ . 1 . 2 ]" 1
536 1 27 LEU HA 1 27 LEU QD 3.440 . 3.780 2.255 1.947 3.339 . 0 0 "[ . 1 . 2 ]" 1
537 1 27 LEU HA 1 31 PHE QB 5.340 . 5.870 5.311 4.302 7.283 1.413 17 3 "[ .- 1 .*+ 2 ]" 1
538 1 27 LEU QB 1 28 ASP H 3.700 . 4.070 2.706 1.790 3.887 0.010 20 0 "[ . 1 . 2 ]" 1
539 1 27 LEU QB 1 28 ASP HA 4.940 . 5.430 4.322 3.904 4.662 . 0 0 "[ . 1 . 2 ]" 1
540 1 27 LEU QB 1 28 ASP QB 4.700 . 5.170 3.607 3.197 5.049 . 0 0 "[ . 1 . 2 ]" 1
541 1 27 LEU QB 1 31 PHE QD 5.340 . 5.870 3.266 2.089 6.191 0.321 17 0 "[ . 1 . 2 ]" 1
542 1 27 LEU QD 1 28 ASP H 4.640 . 5.100 3.834 3.479 4.507 . 0 0 "[ . 1 . 2 ]" 1
543 1 28 ASP QB 1 29 ALA H 4.200 . 4.620 2.637 1.867 3.734 . 0 0 "[ . 1 . 2 ]" 1
544 1 28 ASP QB 1 30 THR H 4.720 . 5.190 3.117 2.322 5.346 0.156 17 0 "[ . 1 . 2 ]" 1
545 1 31 PHE HA 1 34 VAL QG 4.010 . 4.410 2.911 1.993 3.244 . 0 0 "[ . 1 . 2 ]" 1
546 1 31 PHE QB 1 35 LEU QD 4.740 . 5.210 3.510 2.256 5.038 . 0 0 "[ . 1 . 2 ]" 1
547 1 31 PHE QD 1 34 VAL QG 3.850 . 4.230 3.544 2.593 3.903 . 0 0 "[ . 1 . 2 ]" 1
548 1 31 PHE QE 1 34 VAL QG 4.190 . 4.610 4.302 3.532 4.796 0.186 17 0 "[ . 1 . 2 ]" 1
549 1 33 SER H 1 33 SER QB 3.490 . 3.840 2.436 2.203 2.593 . 0 0 "[ . 1 . 2 ]" 1
550 1 33 SER QB 1 34 VAL H 3.940 . 4.330 2.957 2.443 3.494 . 0 0 "[ . 1 . 2 ]" 1
551 1 34 VAL H 1 34 VAL QG 3.260 . 3.590 2.090 1.740 2.192 0.060 6 0 "[ . 1 . 2 ]" 1
552 1 34 VAL HA 1 37 LYS QB 3.760 . 4.140 2.905 2.608 3.156 . 0 0 "[ . 1 . 2 ]" 1
553 1 34 VAL QG 1 35 LEU HA 4.350 . 4.790 3.276 3.070 3.457 . 0 0 "[ . 1 . 2 ]" 1
554 1 34 VAL QG 1 38 ALA H 4.340 . 4.770 4.030 3.822 4.611 . 0 0 "[ . 1 . 2 ]" 1
555 1 34 VAL QG 1 38 ALA MB 3.590 . 3.950 3.142 2.557 3.989 0.039 19 0 "[ . 1 . 2 ]" 1
556 1 36 SER H 1 36 SER QB 3.350 . 3.690 2.347 2.200 2.540 . 0 0 "[ . 1 . 2 ]" 1
557 1 37 LYS QB 1 38 ALA HA 5.040 . 5.540 4.003 3.785 4.237 . 0 0 "[ . 1 . 2 ]" 1
558 1 38 ALA MB 1 39 CYS QB 4.720 . 5.190 3.416 3.140 4.163 . 0 0 "[ . 1 . 2 ]" 1
559 1 39 CYS QB 1 60 ALA MB 3.420 . 3.760 3.345 2.794 3.840 0.080 3 0 "[ . 1 . 2 ]" 1
560 1 41 GLU H 1 41 GLU QB 3.320 . 3.650 2.858 2.452 3.397 . 0 0 "[ . 1 . 2 ]" 1
561 1 43 GLU H 1 44 VAL QG 4.560 . 5.020 4.203 3.287 5.098 0.078 12 0 "[ . 1 . 2 ]" 1
562 1 43 GLU HA 1 44 VAL QG 4.820 . 5.300 3.329 3.016 3.713 . 0 0 "[ . 1 . 2 ]" 1
563 1 44 VAL H 1 44 VAL QG 3.470 . 3.820 2.375 1.837 2.951 . 0 0 "[ . 1 . 2 ]" 1
564 1 44 VAL HB 1 45 ASP QB 5.340 . 5.870 5.405 4.055 6.003 0.133 12 0 "[ . 1 . 2 ]" 1
565 1 44 VAL QG 1 45 ASP H 3.960 . 4.360 2.764 1.766 3.606 0.034 16 0 "[ . 1 . 2 ]" 1
566 1 45 ASP H 1 45 ASP QB 3.490 . 3.840 2.614 2.225 3.297 . 0 0 "[ . 1 . 2 ]" 1
567 1 45 ASP HA 1 46 LYS QB 4.860 . 5.350 4.496 4.126 4.809 . 0 0 "[ . 1 . 2 ]" 1
568 1 45 ASP QB 1 46 LYS H 4.280 . 4.710 2.718 2.204 3.518 . 0 0 "[ . 1 . 2 ]" 1
569 1 46 LYS H 1 46 LYS QB 3.470 . 3.820 2.386 2.169 2.578 . 0 0 "[ . 1 . 2 ]" 1
570 1 47 ASP H 1 47 ASP QB 3.520 . 3.870 2.752 2.310 3.511 . 0 0 "[ . 1 . 2 ]" 1
571 1 47 ASP QB 1 48 VAL H 3.770 . 4.150 3.480 2.518 4.039 . 0 0 "[ . 1 . 2 ]" 1
572 1 49 THR H 1 52 GLU QB 4.160 . 4.580 2.890 1.968 4.411 . 0 0 "[ . 1 . 2 ]" 1
573 1 49 THR HB 1 50 LEU QB 5.310 . 5.840 4.794 3.967 6.047 0.207 15 0 "[ . 1 . 2 ]" 1
574 1 50 LEU H 1 50 LEU QB 3.270 . 3.600 2.651 2.365 3.443 . 0 0 "[ . 1 . 2 ]" 1
575 1 50 LEU QB 1 50 LEU QD 2.520 . 2.770 1.913 1.876 2.033 . 0 0 "[ . 1 . 2 ]" 1
576 1 50 LEU QB 1 51 ASP HA 5.190 . 5.710 4.250 3.999 4.581 . 0 0 "[ . 1 . 2 ]" 1
577 1 50 LEU QB 1 53 LEU QD 3.480 . 3.830 3.760 3.398 4.104 0.274 4 0 "[ . 1 . 2 ]" 1
578 1 50 LEU QB 1 92 LEU HA 4.940 . 5.430 5.223 4.773 5.628 0.198 5 0 "[ . 1 . 2 ]" 1
579 1 50 LEU QB 1 92 LEU QB 4.030 . 4.430 2.640 2.121 3.934 . 0 0 "[ . 1 . 2 ]" 1
580 1 50 LEU HG 1 99 GLU QB 5.030 . 5.530 4.303 3.021 5.505 . 0 0 "[ . 1 . 2 ]" 1
581 1 50 LEU QD 1 51 ASP HA 3.680 . 4.050 3.331 2.312 3.827 . 0 0 "[ . 1 . 2 ]" 1
582 1 50 LEU QD 1 51 ASP QB 4.200 . 4.620 3.640 2.428 4.224 . 0 0 "[ . 1 . 2 ]" 1
583 1 50 LEU QD 1 92 LEU HA 4.800 . 5.280 4.696 4.105 5.238 . 0 0 "[ . 1 . 2 ]" 1
584 1 50 LEU QD 1 92 LEU QB 3.490 . 3.840 2.834 2.039 3.989 0.149 5 0 "[ . 1 . 2 ]" 1
585 1 50 LEU QD 1 93 PHE HA 4.410 . 4.850 4.210 3.607 4.689 . 0 0 "[ . 1 . 2 ]" 1
586 1 50 LEU QD 1 93 PHE QB 5.120 . 5.630 4.978 4.155 5.789 0.159 12 0 "[ . 1 . 2 ]" 1
587 1 50 LEU QD 1 99 GLU HA 4.360 . 4.800 3.222 2.746 3.738 . 0 0 "[ . 1 . 2 ]" 1
588 1 50 LEU QD 1 99 GLU QG 3.630 . 3.990 3.041 2.225 3.718 . 0 0 "[ . 1 . 2 ]" 1
589 1 51 ASP QB 1 52 GLU QB 3.780 . 4.160 4.150 3.752 4.845 0.685 13 2 "[ . 1 + . -2 ]" 1
590 1 52 GLU H 1 52 GLU QB 3.250 . 3.580 2.298 2.101 2.395 . 0 0 "[ . 1 . 2 ]" 1
591 1 52 GLU HA 1 55 ASP QB 3.830 . 4.210 2.619 2.321 3.011 . 0 0 "[ . 1 . 2 ]" 1
592 1 52 GLU QB 1 53 LEU H 3.850 . 4.230 2.650 2.479 2.853 . 0 0 "[ . 1 . 2 ]" 1
593 1 52 GLU QB 1 55 ASP QB 4.290 . 4.720 4.302 3.953 4.675 . 0 0 "[ . 1 . 2 ]" 1
594 1 52 GLU QG 1 55 ASP QB 4.750 . 5.220 3.997 3.355 5.084 . 0 0 "[ . 1 . 2 ]" 1
595 1 54 LEU HA 1 58 LEU QB 3.870 . 4.260 4.261 3.928 4.480 0.220 14 0 "[ . 1 . 2 ]" 1
596 1 55 ASP QB 1 57 VAL QG 4.940 . 5.430 5.280 4.879 5.703 0.273 7 0 "[ . 1 . 2 ]" 1
597 1 58 LEU H 1 58 LEU QB 3.370 . 3.710 2.241 2.221 2.263 . 0 0 "[ . 1 . 2 ]" 1
598 1 58 LEU H 1 58 LEU QD 3.600 . 3.960 3.664 3.553 3.720 . 0 0 "[ . 1 . 2 ]" 1
599 1 58 LEU QB 1 59 ASP H 3.670 . 4.040 2.277 2.130 2.565 . 0 0 "[ . 1 . 2 ]" 1
600 1 58 LEU QD 1 59 ASP H 3.650 . 4.020 3.601 2.583 3.943 . 0 0 "[ . 1 . 2 ]" 1
601 1 58 LEU QD 1 62 GLU QB 4.030 . 4.430 3.410 2.204 4.462 0.032 17 0 "[ . 1 . 2 ]" 1
602 1 58 LEU QD 1 85 LEU HA 3.340 . 3.670 3.616 2.365 3.858 0.188 8 0 "[ . 1 . 2 ]" 1
603 1 62 GLU QG 1 63 SER QB 4.530 . 4.980 4.841 4.457 5.320 0.340 16 0 "[ . 1 . 2 ]" 1
604 1 68 CYS QB 1 78 VAL QG 4.220 . 4.640 2.664 1.993 3.609 . 0 0 "[ . 1 . 2 ]" 1
605 1 69 LYS H 1 78 VAL QG 4.300 . 4.730 3.217 2.294 4.352 . 0 0 "[ . 1 . 2 ]" 1
606 1 69 LYS HA 1 78 VAL QG 3.650 . 4.020 3.125 2.102 3.876 . 0 0 "[ . 1 . 2 ]" 1
607 1 69 LYS QB 1 75 GLY QA 4.570 . 5.030 4.579 3.844 5.333 0.303 5 0 "[ . 1 . 2 ]" 1
608 1 71 HIS HA 1 74 ILE QG 5.140 . 5.650 5.165 4.324 5.715 0.065 7 0 "[ . 1 . 2 ]" 1
609 1 74 ILE HA 1 77 LYS QG 4.530 . 4.980 4.992 4.205 5.458 0.478 17 0 "[ . 1 . 2 ]" 1
610 1 74 ILE HB 1 77 LYS QG 5.270 . 5.800 5.170 3.608 6.001 0.201 9 0 "[ . 1 . 2 ]" 1
611 1 74 ILE MG 1 77 LYS QG 4.780 . 5.260 3.125 2.258 4.482 . 0 0 "[ . 1 . 2 ]" 1
612 1 74 ILE QG 1 75 GLY H 4.520 . 4.970 4.009 3.740 4.262 . 0 0 "[ . 1 . 2 ]" 1
613 1 77 LYS H 1 77 LYS QG 3.630 . 3.990 3.163 1.655 4.044 0.145 15 0 "[ . 1 . 2 ]" 1
614 1 77 LYS H 1 78 VAL QG 4.660 . 5.130 4.034 3.548 4.517 . 0 0 "[ . 1 . 2 ]" 1
615 1 77 LYS HA 1 77 LYS QG 3.640 . 4.000 2.876 2.184 3.391 . 0 0 "[ . 1 . 2 ]" 1
616 1 77 LYS QG 1 78 VAL H 4.080 . 4.490 2.984 1.809 3.950 . 0 0 "[ . 1 . 2 ]" 1
617 1 77 LYS QG 1 78 VAL HA 4.530 . 4.980 3.556 2.933 4.706 . 0 0 "[ . 1 . 2 ]" 1
618 1 77 LYS QG 1 78 VAL HB 4.790 . 5.270 4.578 3.336 5.571 0.301 17 0 "[ . 1 . 2 ]" 1
619 1 78 VAL H 1 78 VAL QG 3.590 . 3.950 2.207 1.856 2.660 . 0 0 "[ . 1 . 2 ]" 1
620 1 78 VAL QG 1 79 CYS H 4.040 . 4.440 2.501 1.684 3.167 0.116 13 0 "[ . 1 . 2 ]" 1
621 1 78 VAL QG 1 79 CYS QB 3.200 . 3.520 3.783 2.650 4.431 0.911 11 10 "[ ***-** 1+ * **2 ]" 1
622 1 79 CYS QB 1 80 ALA H 3.510 . 3.860 2.490 2.335 2.697 . 0 0 "[ . 1 . 2 ]" 1
623 1 80 ALA HA 1 83 ASP QB 3.680 . 4.050 2.679 2.402 2.948 . 0 0 "[ . 1 . 2 ]" 1
624 1 83 ASP QB 1 84 ARG QG 4.030 . 4.430 3.496 2.871 4.584 0.154 13 0 "[ . 1 . 2 ]" 1
625 1 84 ARG H 1 84 ARG QB 3.310 . 3.640 2.310 2.128 2.441 . 0 0 "[ . 1 . 2 ]" 1
626 1 84 ARG HA 1 89 TYR QB 4.510 . 4.960 4.033 2.943 5.179 0.219 19 0 "[ . 1 . 2 ]" 1
627 1 84 ARG QB 1 89 TYR QB 3.900 . 4.290 3.794 2.474 4.506 0.216 15 0 "[ . 1 . 2 ]" 1
628 1 85 LEU H 1 85 LEU QB 3.400 . 3.740 2.228 2.132 2.269 . 0 0 "[ . 1 . 2 ]" 1
629 1 85 LEU QB 1 86 ALA H 4.010 . 4.410 2.779 2.433 3.231 . 0 0 "[ . 1 . 2 ]" 1
630 1 87 GLY QA 1 88 ASP HA 4.760 . 5.240 4.100 3.959 4.388 . 0 0 "[ . 1 . 2 ]" 1
631 1 89 TYR H 1 89 TYR QB 2.960 . 3.260 2.901 2.270 3.454 0.194 2 0 "[ . 1 . 2 ]" 1
632 1 89 TYR HA 1 90 VAL QG 4.800 . 5.280 3.575 2.996 4.938 . 0 0 "[ . 1 . 2 ]" 1
633 1 89 TYR QB 1 90 VAL QG 5.280 . 5.810 3.031 2.276 4.338 . 0 0 "[ . 1 . 2 ]" 1
634 1 89 TYR QD 1 90 VAL QG 4.460 . 4.910 3.351 2.277 4.261 . 0 0 "[ . 1 . 2 ]" 1
635 1 90 VAL H 1 90 VAL QG 3.390 . 3.730 2.103 1.734 2.998 0.066 7 0 "[ . 1 . 2 ]" 1
636 1 90 VAL HA 1 90 VAL QG 3.080 . 3.390 2.196 2.057 2.322 . 0 0 "[ . 1 . 2 ]" 1
637 1 90 VAL QG 1 91 TYR H 3.660 . 4.030 2.950 1.857 3.533 . 0 0 "[ . 1 . 2 ]" 1
638 1 90 VAL QG 1 108 SER H 3.960 . 4.360 3.362 2.301 4.433 0.073 12 0 "[ . 1 . 2 ]" 1
639 1 90 VAL QG 1 108 SER HA 5.440 . 5.980 2.641 2.083 3.671 . 0 0 "[ . 1 . 2 ]" 1
640 1 90 VAL QG 1 109 PHE HA 4.820 . 5.300 2.987 2.610 3.513 . 0 0 "[ . 1 . 2 ]" 1
641 1 93 PHE HA 1 99 GLU QB 4.960 . 5.460 4.496 3.410 5.475 0.015 11 0 "[ . 1 . 2 ]" 1
642 1 93 PHE QB 1 94 ASP H 4.130 . 4.540 2.646 2.359 2.845 . 0 0 "[ . 1 . 2 ]" 1
643 1 93 PHE QB 1 97 GLY QA 4.160 . 4.580 2.788 2.277 3.333 . 0 0 "[ . 1 . 2 ]" 1
644 1 93 PHE QB 1 99 GLU HA 4.500 . 4.950 3.699 2.299 4.717 . 0 0 "[ . 1 . 2 ]" 1
645 1 93 PHE QB 1 99 GLU QG 4.690 . 5.160 3.849 2.240 5.244 0.084 15 0 "[ . 1 . 2 ]" 1
646 1 93 PHE QB 1 112 PRO QB 3.770 . 4.150 3.839 2.938 4.246 0.096 18 0 "[ . 1 . 2 ]" 1
647 1 94 ASP H 1 100 VAL QG 4.610 . 5.070 4.277 3.152 5.085 0.015 18 0 "[ . 1 . 2 ]" 1
648 1 94 ASP QB 1 96 GLY H 4.110 . 4.520 3.516 2.398 4.510 . 0 0 "[ . 1 . 2 ]" 1
649 1 94 ASP QB 1 96 GLY QA 5.340 . 5.870 4.457 3.529 5.094 . 0 0 "[ . 1 . 2 ]" 1
650 1 94 ASP QB 1 100 VAL HB 5.290 . 5.820 3.976 2.567 5.858 0.038 16 0 "[ . 1 . 2 ]" 1
651 1 94 ASP QB 1 100 VAL QG 5.130 . 5.640 3.196 2.015 4.025 . 0 0 "[ . 1 . 2 ]" 1
652 1 94 ASP QB 1 102 ALA MB 4.170 . 4.590 2.909 2.309 3.588 . 0 0 "[ . 1 . 2 ]" 1
653 1 95 GLU QB 1 104 ARG QD 5.040 . 5.540 4.727 3.254 5.615 0.075 18 0 "[ . 1 . 2 ]" 1
654 1 95 GLU QG 1 104 ARG QD 4.510 . 4.960 4.074 2.512 4.979 0.019 15 0 "[ . 1 . 2 ]" 1
655 1 97 GLY QA 1 98 ASP HA 5.290 . 5.820 4.067 4.028 4.105 . 0 0 "[ . 1 . 2 ]" 1
656 1 97 GLY QA 1 112 PRO QB 3.870 . 4.260 2.714 2.053 3.604 . 0 0 "[ . 1 . 2 ]" 1
657 1 98 ASP H 1 98 ASP QB 3.310 . 3.640 2.333 2.217 2.703 . 0 0 "[ . 1 . 2 ]" 1
658 1 98 ASP QB 1 99 GLU H 4.140 . 4.550 3.281 2.279 3.908 . 0 0 "[ . 1 . 2 ]" 1
659 1 98 ASP QB 1 100 VAL H 4.910 . 5.400 4.217 4.025 4.526 . 0 0 "[ . 1 . 2 ]" 1
660 1 98 ASP QB 1 100 VAL QG 3.300 . 3.630 2.800 2.351 3.225 . 0 0 "[ . 1 . 2 ]" 1
661 1 99 GLU H 1 99 GLU QB 3.470 . 3.820 2.413 2.279 2.668 . 0 0 "[ . 1 . 2 ]" 1
662 1 100 VAL H 1 100 VAL QG 3.570 . 3.930 2.754 2.185 3.210 . 0 0 "[ . 1 . 2 ]" 1
663 1 100 VAL HA 1 100 VAL QG 2.920 . 3.210 2.108 1.933 2.252 . 0 0 "[ . 1 . 2 ]" 1
664 1 100 VAL QG 1 101 ILE H 3.690 . 4.060 2.293 1.804 2.517 . 0 0 "[ . 1 . 2 ]" 1
665 1 100 VAL QG 1 102 ALA MB 3.710 . 4.080 3.004 2.607 3.550 . 0 0 "[ . 1 . 2 ]" 1
666 1 101 ILE H 1 101 ILE QG 4.100 . 4.510 2.519 1.809 3.397 . 0 0 "[ . 1 . 2 ]" 1
667 1 102 ALA HA 1 103 PRO QB 5.120 . 5.630 4.889 4.709 4.966 . 0 0 "[ . 1 . 2 ]" 1
668 1 102 ALA MB 1 103 PRO QB 4.580 . 5.040 3.960 3.858 4.415 . 0 0 "[ . 1 . 2 ]" 1
669 1 103 PRO QB 1 104 ARG H 3.690 . 4.060 2.610 2.369 3.330 . 0 0 "[ . 1 . 2 ]" 1
670 1 103 PRO QB 1 104 ARG HA 4.340 . 4.770 4.134 3.983 4.333 . 0 0 "[ . 1 . 2 ]" 1
671 1 103 PRO QB 1 104 ARG QG 4.780 . 5.260 2.796 2.362 4.050 . 0 0 "[ . 1 . 2 ]" 1
672 1 103 PRO QB 1 104 ARG QD 3.650 . 4.020 2.901 2.266 3.772 . 0 0 "[ . 1 . 2 ]" 1
673 1 104 ARG HA 1 104 ARG QG 3.630 . 3.990 2.515 2.284 3.406 . 0 0 "[ . 1 . 2 ]" 1
674 1 104 ARG QB 1 104 ARG QD 2.990 . 3.290 2.224 2.002 2.637 . 0 0 "[ . 1 . 2 ]" 1
675 1 106 TYR H 1 106 TYR QB 3.700 . 4.070 2.483 2.292 3.053 . 0 0 "[ . 1 . 2 ]" 1
676 1 108 SER HA 1 109 PHE QB 4.340 . 4.770 4.409 4.112 4.700 . 0 0 "[ . 1 . 2 ]" 1
677 1 109 PHE H 1 109 PHE QB 3.620 . 3.980 2.427 2.159 2.743 . 0 0 "[ . 1 . 2 ]" 1
678 1 110 SER QB 1 111 ALA H 3.710 . 4.080 2.895 2.080 3.453 . 0 0 "[ . 1 . 2 ]" 1
679 1 110 SER QB 1 111 ALA HA 5.180 . 5.700 4.463 4.163 4.726 . 0 0 "[ . 1 . 2 ]" 1
680 1 110 SER QB 1 111 ALA MB 4.200 . 4.620 4.405 3.935 4.817 0.197 20 0 "[ . 1 . 2 ]" 1
681 1 110 SER QB 1 114 ASP HA 4.920 . 5.410 3.918 2.428 5.545 0.135 8 0 "[ . 1 . 2 ]" 1
682 1 110 SER QB 1 114 ASP QB 4.120 . 4.530 3.279 2.238 4.721 0.191 16 0 "[ . 1 . 2 ]" 1
683 1 111 ALA MB 1 113 ASP QB 5.270 . 5.800 3.869 2.927 4.613 . 0 0 "[ . 1 . 2 ]" 1
684 1 112 PRO QB 1 113 ASP H 3.630 . 3.990 2.604 2.382 3.412 . 0 0 "[ . 1 . 2 ]" 1
685 1 112 PRO QB 1 113 ASP HA 5.340 . 5.870 3.961 3.796 4.556 . 0 0 "[ . 1 . 2 ]" 1
686 1 112 PRO QB 1 113 ASP QB 5.080 . 5.590 3.791 3.433 4.422 . 0 0 "[ . 1 . 2 ]" 1
687 1 112 PRO QG 1 113 ASP QB 5.230 . 5.750 5.003 3.358 5.410 . 0 0 "[ . 1 . 2 ]" 1
688 1 113 ASP H 1 113 ASP QB 3.230 . 3.550 2.555 2.215 2.893 . 0 0 "[ . 1 . 2 ]" 1
689 1 114 ASP H 1 114 ASP QB 2.960 . 3.260 2.713 2.240 3.279 0.019 15 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 593
_Distance_constraint_stats_list.Viol_total 1099.792
_Distance_constraint_stats_list.Viol_max 0.491
_Distance_constraint_stats_list.Viol_rms 0.0630
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0390
_Distance_constraint_stats_list.Viol_average_violations_only 0.0883
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 19 ARG 4.013 0.317 7 0 "[ . 1 . 2 ]"
1 21 ILE 4.936 0.259 13 0 "[ . 1 . 2 ]"
1 29 ALA 2.744 0.298 1 0 "[ . 1 . 2 ]"
1 30 THR 3.393 0.237 4 0 "[ . 1 . 2 ]"
1 31 PHE 3.484 0.491 1 0 "[ . 1 . 2 ]"
1 32 ASP 0.936 0.161 1 0 "[ . 1 . 2 ]"
1 33 SER 3.542 0.298 1 0 "[ . 1 . 2 ]"
1 34 VAL 3.864 0.237 4 0 "[ . 1 . 2 ]"
1 35 LEU 3.484 0.491 1 0 "[ . 1 . 2 ]"
1 36 SER 0.936 0.161 1 0 "[ . 1 . 2 ]"
1 37 LYS 0.798 0.144 8 0 "[ . 1 . 2 ]"
1 38 ALA 0.471 0.123 4 0 "[ . 1 . 2 ]"
1 42 PHE 4.936 0.259 13 0 "[ . 1 . 2 ]"
1 44 VAL 4.013 0.317 7 0 "[ . 1 . 2 ]"
1 50 LEU 0.663 0.180 17 0 "[ . 1 . 2 ]"
1 51 ASP 4.190 0.264 10 0 "[ . 1 . 2 ]"
1 52 GLU 0.133 0.075 16 0 "[ . 1 . 2 ]"
1 53 LEU 0.116 0.076 8 0 "[ . 1 . 2 ]"
1 54 LEU 3.110 0.232 15 0 "[ . 1 . 2 ]"
1 55 ASP 5.099 0.264 10 0 "[ . 1 . 2 ]"
1 56 VAL 0.367 0.124 16 0 "[ . 1 . 2 ]"
1 57 VAL 2.408 0.154 16 0 "[ . 1 . 2 ]"
1 58 LEU 2.481 0.232 15 0 "[ . 1 . 2 ]"
1 59 ASP 1.144 0.140 20 0 "[ . 1 . 2 ]"
1 60 ALA 1.606 0.124 16 0 "[ . 1 . 2 ]"
1 61 VAL 3.320 0.314 3 0 "[ . 1 . 2 ]"
1 62 GLU 0.034 0.030 11 0 "[ . 1 . 2 ]"
1 63 SER 0.235 0.097 3 0 "[ . 1 . 2 ]"
1 64 THR 1.372 0.121 3 0 "[ . 1 . 2 ]"
1 65 LEU 1.028 0.314 3 0 "[ . 1 . 2 ]"
1 76 THR 2.836 0.221 16 0 "[ . 1 . 2 ]"
1 77 LYS 0.309 0.115 6 0 "[ . 1 . 2 ]"
1 78 VAL 2.124 0.204 13 0 "[ . 1 . 2 ]"
1 79 CYS 2.036 0.220 20 0 "[ . 1 . 2 ]"
1 80 ALA 3.344 0.221 16 0 "[ . 1 . 2 ]"
1 81 LEU 0.477 0.115 6 0 "[ . 1 . 2 ]"
1 82 LEU 4.114 0.244 20 0 "[ . 1 . 2 ]"
1 83 ASP 2.036 0.220 20 0 "[ . 1 . 2 ]"
1 84 ARG 0.508 0.109 11 0 "[ . 1 . 2 ]"
1 85 LEU 0.168 0.094 15 0 "[ . 1 . 2 ]"
1 86 ALA 1.990 0.244 20 0 "[ . 1 . 2 ]"
1 91 TYR 3.773 0.288 5 0 "[ . 1 . 2 ]"
1 93 PHE 4.202 0.283 7 0 "[ . 1 . 2 ]"
1 106 TYR 4.202 0.283 7 0 "[ . 1 . 2 ]"
1 108 SER 3.773 0.288 5 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 29 ALA O 1 33 SER N 3.000 . 3.000 3.024 2.854 3.247 0.247 1 0 "[ . 1 . 2 ]" 2
2 1 29 ALA O 1 33 SER H 2.000 . 2.000 2.078 1.920 2.298 0.298 1 0 "[ . 1 . 2 ]" 2
3 1 30 THR O 1 34 VAL N 3.000 . 3.000 3.012 2.629 3.199 0.199 4 0 "[ . 1 . 2 ]" 2
4 1 30 THR O 1 34 VAL H 2.000 . 2.000 2.062 1.664 2.237 0.237 4 0 "[ . 1 . 2 ]" 2
5 1 31 PHE O 1 35 LEU N 3.000 . 3.000 2.924 2.661 3.262 0.262 1 0 "[ . 1 . 2 ]" 2
6 1 31 PHE O 1 35 LEU H 2.000 . 2.000 2.020 1.731 2.491 0.491 1 0 "[ . 1 . 2 ]" 2
7 1 32 ASP O 1 36 SER N 3.000 . 3.000 2.923 2.747 3.075 0.075 1 0 "[ . 1 . 2 ]" 2
8 1 32 ASP O 1 36 SER H 2.000 . 2.000 2.003 1.810 2.161 0.161 1 0 "[ . 1 . 2 ]" 2
9 1 33 SER O 1 37 LYS N 3.000 . 3.000 2.912 2.720 3.064 0.064 8 0 "[ . 1 . 2 ]" 2
10 1 33 SER O 1 37 LYS H 2.000 . 2.000 1.987 1.769 2.144 0.144 8 0 "[ . 1 . 2 ]" 2
11 1 34 VAL O 1 38 ALA N 3.000 . 3.000 2.828 2.598 3.039 0.039 4 0 "[ . 1 . 2 ]" 2
12 1 34 VAL O 1 38 ALA H 2.000 . 2.000 1.960 1.757 2.123 0.123 4 0 "[ . 1 . 2 ]" 2
13 1 50 LEU O 1 54 LEU N 3.000 . 3.000 2.855 2.653 3.095 0.095 17 0 "[ . 1 . 2 ]" 2
14 1 50 LEU O 1 54 LEU H 2.000 . 2.000 1.928 1.693 2.180 0.180 17 0 "[ . 1 . 2 ]" 2
15 1 51 ASP O 1 55 ASP N 3.000 . 3.000 3.058 2.905 3.212 0.212 10 0 "[ . 1 . 2 ]" 2
16 1 51 ASP O 1 55 ASP H 2.000 . 2.000 2.131 2.005 2.264 0.264 10 0 "[ . 1 . 2 ]" 2
17 1 52 GLU O 1 56 VAL N 3.000 . 3.000 2.801 2.671 3.025 0.025 16 0 "[ . 1 . 2 ]" 2
18 1 52 GLU O 1 56 VAL H 2.000 . 2.000 1.867 1.747 2.075 0.075 16 0 "[ . 1 . 2 ]" 2
19 1 53 LEU O 1 57 VAL N 3.000 . 3.000 2.763 2.639 2.994 . 0 0 "[ . 1 . 2 ]" 2
20 1 53 LEU O 1 57 VAL H 2.000 . 2.000 1.831 1.689 2.076 0.076 8 0 "[ . 1 . 2 ]" 2
21 1 54 LEU O 1 58 LEU N 3.000 . 3.000 2.970 2.755 3.142 0.142 15 0 "[ . 1 . 2 ]" 2
22 1 54 LEU O 1 58 LEU H 2.000 . 2.000 2.041 1.802 2.232 0.232 15 0 "[ . 1 . 2 ]" 2
23 1 55 ASP O 1 59 ASP N 3.000 . 3.000 2.943 2.742 3.046 0.046 6 0 "[ . 1 . 2 ]" 2
24 1 55 ASP O 1 59 ASP H 2.000 . 2.000 2.011 1.833 2.140 0.140 20 0 "[ . 1 . 2 ]" 2
25 1 56 VAL O 1 60 ALA N 3.000 . 3.000 2.760 2.596 3.054 0.054 16 0 "[ . 1 . 2 ]" 2
26 1 56 VAL O 1 60 ALA H 2.000 . 2.000 1.873 1.774 2.124 0.124 16 0 "[ . 1 . 2 ]" 2
27 1 57 VAL O 1 61 VAL N 3.000 . 3.000 3.012 2.760 3.096 0.096 14 0 "[ . 1 . 2 ]" 2
28 1 57 VAL O 1 61 VAL H 2.000 . 2.000 2.075 1.873 2.154 0.154 16 0 "[ . 1 . 2 ]" 2
29 1 58 LEU O 1 62 GLU N 3.000 . 3.000 2.853 2.673 2.973 . 0 0 "[ . 1 . 2 ]" 2
30 1 58 LEU O 1 62 GLU H 2.000 . 2.000 1.901 1.756 2.030 0.030 11 0 "[ . 1 . 2 ]" 2
31 1 59 ASP O 1 63 SER N 3.000 . 3.000 2.784 2.657 3.071 0.071 3 0 "[ . 1 . 2 ]" 2
32 1 59 ASP O 1 63 SER H 2.000 . 2.000 1.864 1.749 2.097 0.097 3 0 "[ . 1 . 2 ]" 2
33 1 60 ALA O 1 64 THR N 3.000 . 3.000 2.963 2.741 3.073 0.073 14 0 "[ . 1 . 2 ]" 2
34 1 60 ALA O 1 64 THR H 2.000 . 2.000 2.021 1.830 2.121 0.121 3 0 "[ . 1 . 2 ]" 2
35 1 61 VAL O 1 65 LEU N 3.000 . 3.000 2.796 2.546 3.076 0.076 6 0 "[ . 1 . 2 ]" 2
36 1 61 VAL O 1 65 LEU H 2.000 . 2.000 1.950 1.761 2.314 0.314 3 0 "[ . 1 . 2 ]" 2
37 1 76 THR O 1 80 ALA N 3.000 . 3.000 3.014 2.737 3.207 0.207 16 0 "[ . 1 . 2 ]" 2
38 1 76 THR O 1 80 ALA H 2.000 . 2.000 2.059 1.779 2.221 0.221 16 0 "[ . 1 . 2 ]" 2
39 1 77 LYS O 1 81 LEU N 3.000 . 3.000 2.758 2.621 3.059 0.059 11 0 "[ . 1 . 2 ]" 2
40 1 77 LYS O 1 81 LEU H 2.000 . 2.000 1.839 1.665 2.115 0.115 6 0 "[ . 1 . 2 ]" 2
41 1 78 VAL O 1 82 LEU N 3.000 . 3.000 2.968 2.745 3.166 0.166 18 0 "[ . 1 . 2 ]" 2
42 1 78 VAL O 1 82 LEU H 2.000 . 2.000 2.045 1.813 2.204 0.204 13 0 "[ . 1 . 2 ]" 2
43 1 79 CYS O 1 83 ASP N 3.000 . 3.000 2.985 2.737 3.183 0.183 20 0 "[ . 1 . 2 ]" 2
44 1 79 CYS O 1 83 ASP H 2.000 . 2.000 2.049 1.818 2.220 0.220 20 0 "[ . 1 . 2 ]" 2
45 1 80 ALA O 1 84 ARG N 3.000 . 3.000 2.875 2.649 3.052 0.052 11 0 "[ . 1 . 2 ]" 2
46 1 80 ALA O 1 84 ARG H 2.000 . 2.000 1.932 1.685 2.109 0.109 11 0 "[ . 1 . 2 ]" 2
47 1 81 LEU O 1 85 LEU N 3.000 . 3.000 2.786 2.629 3.067 0.067 15 0 "[ . 1 . 2 ]" 2
48 1 81 LEU O 1 85 LEU H 2.000 . 2.000 1.870 1.722 2.094 0.094 15 0 "[ . 1 . 2 ]" 2
49 1 82 LEU O 1 86 ALA N 3.000 . 3.000 2.889 2.659 3.053 0.053 13 0 "[ . 1 . 2 ]" 2
50 1 82 LEU O 1 86 ALA H 2.000 . 2.000 2.079 1.846 2.244 0.244 20 0 "[ . 1 . 2 ]" 2
51 1 19 ARG N 1 44 VAL O 3.000 . 3.000 2.966 2.667 3.226 0.226 16 0 "[ . 1 . 2 ]" 2
52 1 19 ARG H 1 44 VAL O 2.000 . 2.000 2.087 1.696 2.317 0.317 7 0 "[ . 1 . 2 ]" 2
53 1 19 ARG O 1 44 VAL N 3.000 . 3.000 2.820 2.627 3.007 0.007 9 0 "[ . 1 . 2 ]" 2
54 1 19 ARG O 1 44 VAL H 2.000 . 2.000 1.974 1.648 2.170 0.170 3 0 "[ . 1 . 2 ]" 2
55 1 21 ILE N 1 42 PHE O 3.000 . 3.000 2.918 2.712 3.067 0.067 15 0 "[ . 1 . 2 ]" 2
56 1 21 ILE H 1 42 PHE O 2.000 . 2.000 1.974 1.745 2.138 0.138 16 0 "[ . 1 . 2 ]" 2
57 1 21 ILE O 1 42 PHE N 3.000 . 3.000 3.030 2.721 3.145 0.145 2 0 "[ . 1 . 2 ]" 2
58 1 21 ILE O 1 42 PHE H 2.000 . 2.000 2.121 1.773 2.259 0.259 13 0 "[ . 1 . 2 ]" 2
59 1 91 TYR O 1 108 SER N 3.000 . 3.000 2.956 2.706 3.123 0.123 4 0 "[ . 1 . 2 ]" 2
60 1 91 TYR O 1 108 SER H 2.000 . 2.000 2.005 1.733 2.145 0.145 4 0 "[ . 1 . 2 ]" 2
61 1 91 TYR N 1 108 SER O 3.000 . 3.000 2.890 2.634 3.042 0.042 2 0 "[ . 1 . 2 ]" 2
62 1 91 TYR H 1 108 SER O 2.000 . 2.000 2.107 1.960 2.288 0.288 5 0 "[ . 1 . 2 ]" 2
63 1 93 PHE N 1 106 TYR O 3.000 . 3.000 3.071 2.976 3.213 0.213 7 0 "[ . 1 . 2 ]" 2
64 1 93 PHE H 1 106 TYR O 2.000 . 2.000 2.128 2.011 2.283 0.283 7 0 "[ . 1 . 2 ]" 2
stop_
save_
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