NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
607406 |
2n8k   |
25853 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n8k
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 1349
_Distance_constraint_stats_list.Viol_count 809
_Distance_constraint_stats_list.Viol_total 155.255
_Distance_constraint_stats_list.Viol_max 0.197
_Distance_constraint_stats_list.Viol_rms 0.0032
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0096
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 VAL 0.007 0.004 10 0 "[ . 1 . 2]"
1 3 THR 0.002 0.001 12 0 "[ . 1 . 2]"
1 4 CYS 0.001 0.001 13 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 19 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.288 0.166 13 0 "[ . 1 . 2]"
1 8 GLN 0.057 0.030 13 0 "[ . 1 . 2]"
1 9 CYS 0.027 0.007 10 0 "[ . 1 . 2]"
1 10 LYS 0.320 0.139 9 0 "[ . 1 . 2]"
1 11 PRO 0.250 0.139 9 0 "[ . 1 . 2]"
1 12 ASN 0.028 0.005 4 0 "[ . 1 . 2]"
1 13 SER 0.125 0.019 13 0 "[ . 1 . 2]"
1 14 CYS 0.275 0.019 13 0 "[ . 1 . 2]"
1 15 CYS 0.053 0.008 9 0 "[ . 1 . 2]"
1 16 VAL 0.090 0.027 5 0 "[ . 1 . 2]"
1 17 GLN 0.067 0.024 5 0 "[ . 1 . 2]"
1 18 ASN 0.022 0.005 5 0 "[ . 1 . 2]"
1 19 SER 0.002 0.002 3 0 "[ . 1 . 2]"
1 20 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LYS 0.003 0.003 4 0 "[ . 1 . 2]"
1 23 GLY 0.054 0.012 12 0 "[ . 1 . 2]"
1 24 LYS 0.053 0.012 12 0 "[ . 1 . 2]"
1 25 ASP 0.035 0.026 12 0 "[ . 1 . 2]"
1 26 SER 0.037 0.026 12 0 "[ . 1 . 2]"
1 27 PRO 0.075 0.009 15 0 "[ . 1 . 2]"
1 28 ARG 0.049 0.009 15 0 "[ . 1 . 2]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 HIS 0.247 0.022 6 0 "[ . 1 . 2]"
1 31 PRO 0.067 0.013 10 0 "[ . 1 . 2]"
1 32 LEU 0.275 0.014 7 0 "[ . 1 . 2]"
1 33 GLY 0.068 0.014 7 0 "[ . 1 . 2]"
1 34 LYS 0.105 0.020 2 0 "[ . 1 . 2]"
1 35 LEU 0.401 0.047 2 0 "[ . 1 . 2]"
1 36 ASN 0.233 0.047 2 0 "[ . 1 . 2]"
1 37 ASN 0.187 0.041 2 0 "[ . 1 . 2]"
1 38 PRO 0.047 0.015 7 0 "[ . 1 . 2]"
1 39 CYS 0.138 0.012 10 0 "[ . 1 . 2]"
1 40 GLU 0.103 0.008 2 0 "[ . 1 . 2]"
1 41 VAL 0.943 0.034 5 0 "[ . 1 . 2]"
1 42 GLU 1.126 0.064 18 0 "[ . 1 . 2]"
1 43 PRO 0.194 0.064 18 0 "[ . 1 . 2]"
1 44 ASN 0.752 0.065 2 0 "[ . 1 . 2]"
1 45 GLU 0.248 0.059 11 0 "[ . 1 . 2]"
1 46 ASN 0.905 0.059 11 0 "[ . 1 . 2]"
1 47 GLY 0.739 0.052 11 0 "[ . 1 . 2]"
1 48 ILE 1.049 0.065 2 0 "[ . 1 . 2]"
1 49 TYR 0.070 0.014 5 0 "[ . 1 . 2]"
1 50 SER 0.382 0.026 13 0 "[ . 1 . 2]"
1 51 GLN 0.008 0.005 5 0 "[ . 1 . 2]"
1 52 HIS 0.506 0.027 5 0 "[ . 1 . 2]"
1 53 CYS 0.357 0.022 6 0 "[ . 1 . 2]"
1 54 PRO 0.199 0.012 13 0 "[ . 1 . 2]"
1 55 CYS 0.003 0.002 6 0 "[ . 1 . 2]"
1 56 GLY 0.200 0.021 2 0 "[ . 1 . 2]"
1 57 GLU 0.198 0.019 6 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.366 0.021 2 0 "[ . 1 . 2]"
1 60 SER 0.066 0.024 2 0 "[ . 1 . 2]"
1 61 CYS 0.018 0.007 2 0 "[ . 1 . 2]"
1 62 THR 0.111 0.007 12 0 "[ . 1 . 2]"
1 63 LYS 0.074 0.010 4 0 "[ . 1 . 2]"
1 64 VAL 0.023 0.010 6 0 "[ . 1 . 2]"
1 65 GLY 0.066 0.010 4 0 "[ . 1 . 2]"
1 66 GLU 0.106 0.053 16 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASN 0.246 0.197 19 0 "[ . 1 . 2]"
1 69 LYS 0.105 0.052 16 0 "[ . 1 . 2]"
1 70 LEU 0.169 0.053 16 0 "[ . 1 . 2]"
1 71 ARG 0.290 0.053 16 0 "[ . 1 . 2]"
1 72 CYS 0.384 0.043 10 0 "[ . 1 . 2]"
1 73 GLN 0.464 0.043 10 0 "[ . 1 . 2]"
1 74 GLU 0.014 0.006 2 0 "[ . 1 . 2]"
1 75 GLU 0.201 0.141 2 0 "[ . 1 . 2]"
1 76 SER 0.001 0.001 19 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 45 GLU HA 1 45 GLU QB . . 2.640 2.199 2.176 2.285 . 0 0 "[ . 1 . 2]" 1
2 1 57 GLU HA 1 57 GLU QB . . 2.760 2.178 2.177 2.180 . 0 0 "[ . 1 . 2]" 1
3 1 2 VAL HA 1 3 THR HB . . 4.740 4.685 4.582 4.740 0.000 2 0 "[ . 1 . 2]" 1
4 1 2 VAL HA 1 3 THR HA . . 4.510 4.427 4.409 4.463 . 0 0 "[ . 1 . 2]" 1
5 1 2 VAL HB 1 3 THR H . . 4.110 4.035 3.867 4.110 0.000 13 0 "[ . 1 . 2]" 1
6 1 41 VAL MG2 1 42 GLU QG . . 4.540 4.563 4.556 4.574 0.034 5 0 "[ . 1 . 2]" 1
7 1 41 VAL MG2 1 61 CYS HB3 . . 4.740 3.162 2.855 3.443 . 0 0 "[ . 1 . 2]" 1
8 1 41 VAL MG2 1 61 CYS HB2 . . 4.740 3.890 3.371 4.161 . 0 0 "[ . 1 . 2]" 1
9 1 41 VAL HA 1 41 VAL MG2 . . 3.180 2.373 2.328 2.411 . 0 0 "[ . 1 . 2]" 1
10 1 41 VAL MG2 1 42 GLU H . . 4.090 3.563 3.526 3.596 . 0 0 "[ . 1 . 2]" 1
11 1 35 LEU H 1 35 LEU MD1 . . 4.400 4.165 4.108 4.208 . 0 0 "[ . 1 . 2]" 1
12 1 35 LEU MD1 1 73 GLN HA . . 3.080 2.040 1.959 2.118 . 0 0 "[ . 1 . 2]" 1
13 1 35 LEU HA 1 35 LEU MD1 . . 2.930 2.092 2.028 2.297 . 0 0 "[ . 1 . 2]" 1
14 1 35 LEU MD1 1 72 CYS HB2 . . 4.480 4.318 4.180 4.466 . 0 0 "[ . 1 . 2]" 1
15 1 35 LEU MD1 1 74 GLU QG . . 3.170 2.517 2.062 3.047 . 0 0 "[ . 1 . 2]" 1
16 1 35 LEU HB3 1 35 LEU MD1 . . 3.530 3.183 3.178 3.191 . 0 0 "[ . 1 . 2]" 1
17 1 35 LEU HB2 1 35 LEU MD1 . . 3.530 2.347 2.226 2.394 . 0 0 "[ . 1 . 2]" 1
18 1 35 LEU MD1 1 59 LEU MD2 . . 2.840 2.113 1.824 2.305 . 0 0 "[ . 1 . 2]" 1
19 1 10 LYS HG2 1 11 PRO HD3 . . 4.800 3.536 2.891 4.672 . 0 0 "[ . 1 . 2]" 1
20 1 10 LYS HA 1 11 PRO HD3 . . 3.000 2.350 2.348 2.353 . 0 0 "[ . 1 . 2]" 1
21 1 3 THR HB 1 4 CYS H . . 4.390 4.271 4.142 4.334 . 0 0 "[ . 1 . 2]" 1
22 1 2 VAL HA 1 2 VAL MG1 . . 3.350 2.706 2.269 3.204 . 0 0 "[ . 1 . 2]" 1
23 1 3 THR MG 1 8 GLN HA . . 3.700 3.062 2.830 3.421 . 0 0 "[ . 1 . 2]" 1
24 1 2 VAL MG1 1 3 THR H . . 4.420 2.917 2.019 3.906 . 0 0 "[ . 1 . 2]" 1
25 1 3 THR H 1 3 THR MG . . 4.750 3.961 3.922 4.018 . 0 0 "[ . 1 . 2]" 1
26 1 3 THR MG 1 4 CYS H . . 3.960 2.901 2.475 3.134 . 0 0 "[ . 1 . 2]" 1
27 1 3 THR HA 1 3 THR MG . . 3.250 2.244 2.159 2.326 . 0 0 "[ . 1 . 2]" 1
28 1 7 LYS QB 1 7 LYS QD . . 3.050 2.126 1.963 2.393 . 0 0 "[ . 1 . 2]" 1
29 1 28 ARG HA 1 28 ARG QD . . 4.100 3.521 1.978 4.105 0.005 15 0 "[ . 1 . 2]" 1
30 1 28 ARG HB2 1 28 ARG QD . . 3.860 2.464 1.980 3.214 . 0 0 "[ . 1 . 2]" 1
31 1 7 LYS HA 1 7 LYS QG . . 3.810 2.395 2.095 3.352 . 0 0 "[ . 1 . 2]" 1
32 1 7 LYS QE 1 7 LYS QG . . 3.310 2.153 2.054 2.461 . 0 0 "[ . 1 . 2]" 1
33 1 7 LYS QB 1 7 LYS QE . . 3.940 3.030 2.200 3.721 . 0 0 "[ . 1 . 2]" 1
34 1 7 LYS HA 1 7 LYS QD . . 4.110 3.374 2.275 4.276 0.166 13 0 "[ . 1 . 2]" 1
35 1 10 LYS HA 1 11 PRO HD2 . . 3.270 2.512 2.508 2.517 . 0 0 "[ . 1 . 2]" 1
36 1 3 THR HA 1 8 GLN HA . . 3.720 2.224 1.999 2.653 . 0 0 "[ . 1 . 2]" 1
37 1 7 LYS HA 1 8 GLN QB . . 4.500 4.189 4.133 4.260 . 0 0 "[ . 1 . 2]" 1
38 1 42 GLU QG 1 43 PRO HD3 . . 4.340 3.805 3.639 4.404 0.064 18 0 "[ . 1 . 2]" 1
39 1 42 GLU HA 1 42 GLU QG . . 3.600 2.403 2.260 3.318 . 0 0 "[ . 1 . 2]" 1
40 1 8 GLN HA 1 8 GLN HG3 . . 3.850 2.406 2.318 2.480 . 0 0 "[ . 1 . 2]" 1
41 1 2 VAL HB 1 9 CYS HB3 . . 5.070 4.436 3.488 5.074 0.004 10 0 "[ . 1 . 2]" 1
42 1 9 CYS HB3 1 13 SER HB2 . . 4.850 4.129 3.444 4.843 . 0 0 "[ . 1 . 2]" 1
43 1 14 CYS HA 1 32 LEU MD2 . . 4.850 4.643 4.514 4.732 . 0 0 "[ . 1 . 2]" 1
44 1 14 CYS HB3 1 15 CYS H . . 4.080 3.831 3.824 3.838 . 0 0 "[ . 1 . 2]" 1
45 1 14 CYS HB3 1 32 LEU MD2 . . 3.630 3.111 3.071 3.134 . 0 0 "[ . 1 . 2]" 1
46 1 10 LYS HB2 1 11 PRO HD2 . . 3.780 3.609 3.554 3.651 . 0 0 "[ . 1 . 2]" 1
47 1 10 LYS HA 1 10 LYS HG3 . . 4.220 2.770 2.254 3.657 . 0 0 "[ . 1 . 2]" 1
48 1 10 LYS HA 1 10 LYS HG2 . . 4.220 2.586 2.163 3.593 . 0 0 "[ . 1 . 2]" 1
49 1 10 LYS HA 1 10 LYS QD . . 4.180 3.585 1.949 3.992 . 0 0 "[ . 1 . 2]" 1
50 1 11 PRO HA 1 12 ASN H . . 3.420 2.446 2.363 2.504 . 0 0 "[ . 1 . 2]" 1
51 1 11 PRO HA 1 13 SER H . . 4.110 3.317 3.188 3.470 . 0 0 "[ . 1 . 2]" 1
52 1 12 ASN HA 1 32 LEU MD1 . . 3.180 2.040 1.934 2.257 . 0 0 "[ . 1 . 2]" 1
53 1 12 ASN HB2 1 32 LEU MD1 . . 4.250 3.553 3.495 3.720 . 0 0 "[ . 1 . 2]" 1
54 1 12 ASN HB3 1 32 LEU MD1 . . 3.740 2.100 2.000 2.286 . 0 0 "[ . 1 . 2]" 1
55 1 12 ASN HA 1 32 LEU HG . . 4.310 2.971 2.749 3.160 . 0 0 "[ . 1 . 2]" 1
56 1 12 ASN HB2 1 13 SER H . . 4.250 4.113 4.014 4.242 . 0 0 "[ . 1 . 2]" 1
57 1 13 SER HB2 1 14 CYS H . . 4.410 3.899 3.222 4.413 0.003 10 0 "[ . 1 . 2]" 1
58 1 13 SER HA 1 31 PRO HA . . 3.520 2.931 2.731 3.026 . 0 0 "[ . 1 . 2]" 1
59 1 14 CYS HB2 1 49 TYR QD . . 4.060 2.976 2.801 3.258 . 0 0 "[ . 1 . 2]" 1
60 1 14 CYS HB3 1 49 TYR QD . . 4.710 4.363 4.232 4.656 . 0 0 "[ . 1 . 2]" 1
61 1 59 LEU MD1 1 72 CYS HB3 . . 3.520 1.982 1.977 2.008 . 0 0 "[ . 1 . 2]" 1
62 1 55 CYS HB3 1 59 LEU MD1 . . 3.720 3.389 3.313 3.476 . 0 0 "[ . 1 . 2]" 1
63 1 55 CYS HB3 1 59 LEU HB3 . . 3.860 3.417 3.298 3.485 . 0 0 "[ . 1 . 2]" 1
64 1 55 CYS HB2 1 59 LEU HB3 . . 4.810 4.687 4.524 4.754 . 0 0 "[ . 1 . 2]" 1
65 1 55 CYS HB3 1 59 LEU HB2 . . 3.640 1.998 1.994 2.004 . 0 0 "[ . 1 . 2]" 1
66 1 55 CYS HB2 1 59 LEU HB2 . . 3.760 3.598 3.579 3.621 . 0 0 "[ . 1 . 2]" 1
67 1 32 LEU HA 1 53 CYS HB3 . . 3.850 2.133 2.068 2.289 . 0 0 "[ . 1 . 2]" 1
68 1 32 LEU HA 1 53 CYS HB2 . . 3.770 2.277 2.132 2.359 . 0 0 "[ . 1 . 2]" 1
69 1 53 CYS H 1 53 CYS HB3 . . 4.100 3.590 3.555 3.656 . 0 0 "[ . 1 . 2]" 1
70 1 53 CYS HA 1 54 PRO HD2 . . 3.550 2.498 2.474 2.509 . 0 0 "[ . 1 . 2]" 1
71 1 53 CYS HB3 1 54 PRO HD2 . . 3.770 1.991 1.980 1.997 . 0 0 "[ . 1 . 2]" 1
72 1 32 LEU MD2 1 53 CYS HB2 . . 3.650 3.481 3.290 3.577 . 0 0 "[ . 1 . 2]" 1
73 1 32 LEU MD2 1 53 CYS HA . . 4.770 4.472 4.361 4.532 . 0 0 "[ . 1 . 2]" 1
74 1 39 CYS HB3 1 40 GLU H . . 3.950 3.821 3.776 3.927 . 0 0 "[ . 1 . 2]" 1
75 1 13 SER HA 1 32 LEU MD2 . . 4.100 3.965 3.904 4.070 . 0 0 "[ . 1 . 2]" 1
76 1 13 SER HA 1 32 LEU HG . . 4.090 3.156 3.015 3.262 . 0 0 "[ . 1 . 2]" 1
77 1 17 GLN HA 1 17 GLN HG3 . . 3.880 3.067 2.306 3.651 . 0 0 "[ . 1 . 2]" 1
78 1 17 GLN HA 1 48 ILE MG . . 4.030 3.288 2.980 3.495 . 0 0 "[ . 1 . 2]" 1
79 1 17 GLN HB2 1 48 ILE MG . . 3.740 2.148 1.895 2.427 . 0 0 "[ . 1 . 2]" 1
80 1 17 GLN HA 1 27 PRO HA . . 3.940 2.262 2.035 2.471 . 0 0 "[ . 1 . 2]" 1
81 1 24 LYS HA 1 24 LYS QG . . 3.440 2.382 2.203 3.321 . 0 0 "[ . 1 . 2]" 1
82 1 26 SER H 1 26 SER HB3 . . 4.100 3.216 2.606 3.890 . 0 0 "[ . 1 . 2]" 1
83 1 27 PRO HB3 1 28 ARG H . . 4.210 3.483 3.471 3.501 . 0 0 "[ . 1 . 2]" 1
84 1 27 PRO HB2 1 48 ILE MD . . 4.500 3.998 3.593 4.245 . 0 0 "[ . 1 . 2]" 1
85 1 27 PRO HB3 1 48 ILE MD . . 4.500 3.106 2.675 3.665 . 0 0 "[ . 1 . 2]" 1
86 1 26 SER HA 1 27 PRO HD2 . . 3.310 1.967 1.966 1.968 . 0 0 "[ . 1 . 2]" 1
87 1 26 SER HA 1 27 PRO HD3 . . 3.310 2.721 2.720 2.722 . 0 0 "[ . 1 . 2]" 1
88 1 10 LYS QD 1 11 PRO HD2 . . 4.220 3.238 1.902 4.218 . 0 0 "[ . 1 . 2]" 1
89 1 28 ARG HB3 1 28 ARG QD . . 3.860 2.612 1.988 3.299 . 0 0 "[ . 1 . 2]" 1
90 1 15 CYS HA 1 29 CYS HA . . 4.210 3.272 2.767 3.815 . 0 0 "[ . 1 . 2]" 1
91 1 32 LEU HB3 1 32 LEU MD1 . . 3.450 2.387 2.367 2.427 . 0 0 "[ . 1 . 2]" 1
92 1 32 LEU MD2 1 54 PRO HG2 . . 3.260 2.661 2.505 2.875 . 0 0 "[ . 1 . 2]" 1
93 1 32 LEU MD1 1 54 PRO HG2 . . 5.170 4.844 4.647 5.059 . 0 0 "[ . 1 . 2]" 1
94 1 32 LEU MD2 1 53 CYS HB3 . . 3.390 2.275 2.130 2.404 . 0 0 "[ . 1 . 2]" 1
95 1 14 CYS HB2 1 32 LEU MD2 . . 4.550 4.554 4.536 4.561 0.011 10 0 "[ . 1 . 2]" 1
96 1 32 LEU MD2 1 54 PRO HD2 . . 3.510 2.852 2.701 2.991 . 0 0 "[ . 1 . 2]" 1
97 1 32 LEU HA 1 32 LEU MD2 . . 3.100 2.007 1.976 2.050 . 0 0 "[ . 1 . 2]" 1
98 1 12 ASN HA 1 32 LEU MD2 . . 4.080 3.754 3.564 3.966 . 0 0 "[ . 1 . 2]" 1
99 1 33 GLY HA3 1 53 CYS HB2 . . 5.370 4.180 4.034 4.301 . 0 0 "[ . 1 . 2]" 1
100 1 40 GLU HG3 1 41 VAL H . . 4.260 2.333 2.068 3.118 . 0 0 "[ . 1 . 2]" 1
101 1 41 VAL H 1 41 VAL HB . . 3.670 2.664 2.621 2.691 . 0 0 "[ . 1 . 2]" 1
102 1 16 VAL HB 1 51 GLN HA . . 4.130 3.361 3.201 3.604 . 0 0 "[ . 1 . 2]" 1
103 1 16 VAL HB 1 17 GLN H . . 3.870 2.980 2.313 3.351 . 0 0 "[ . 1 . 2]" 1
104 1 2 VAL MG2 1 9 CYS HB2 . . 4.550 3.765 2.225 4.495 . 0 0 "[ . 1 . 2]" 1
105 1 2 VAL HA 1 2 VAL MG2 . . 3.350 2.335 2.194 2.448 . 0 0 "[ . 1 . 2]" 1
106 1 2 VAL MG2 1 3 THR H . . 4.420 3.148 1.953 4.082 . 0 0 "[ . 1 . 2]" 1
107 1 14 CYS HB2 1 15 CYS H . . 3.890 2.413 2.406 2.420 . 0 0 "[ . 1 . 2]" 1
108 1 22 LYS HA 1 22 LYS HG3 . . 4.240 3.027 2.240 3.953 . 0 0 "[ . 1 . 2]" 1
109 1 22 LYS HA 1 22 LYS HG2 . . 4.240 3.168 2.427 3.724 . 0 0 "[ . 1 . 2]" 1
110 1 22 LYS QE 1 22 LYS HG2 . . 3.860 2.684 2.227 3.500 . 0 0 "[ . 1 . 2]" 1
111 1 22 LYS QE 1 22 LYS HG3 . . 3.860 2.797 2.134 3.458 . 0 0 "[ . 1 . 2]" 1
112 1 34 LYS HB3 1 35 LEU H . . 3.760 3.572 3.524 3.614 . 0 0 "[ . 1 . 2]" 1
113 1 34 LYS HA 1 59 LEU MD1 . . 3.130 2.186 1.990 2.287 . 0 0 "[ . 1 . 2]" 1
114 1 34 LYS HA 1 34 LYS HG2 . . 3.830 3.815 3.779 3.833 0.003 4 0 "[ . 1 . 2]" 1
115 1 34 LYS HA 1 34 LYS HG3 . . 3.720 3.682 3.673 3.708 . 0 0 "[ . 1 . 2]" 1
116 1 34 LYS HA 1 34 LYS QD . . 4.410 4.363 4.247 4.417 0.007 16 0 "[ . 1 . 2]" 1
117 1 34 LYS HB2 1 34 LYS QD . . 3.620 2.384 2.209 2.726 . 0 0 "[ . 1 . 2]" 1
118 1 34 LYS QE 1 34 LYS HG2 . . 3.560 2.536 1.977 3.257 . 0 0 "[ . 1 . 2]" 1
119 1 34 LYS HB3 1 34 LYS QD . . 3.400 2.616 2.287 2.854 . 0 0 "[ . 1 . 2]" 1
120 1 34 LYS HB3 1 34 LYS QE . . 3.620 2.802 2.106 3.620 0.000 16 0 "[ . 1 . 2]" 1
121 1 35 LEU HA 1 59 LEU MD2 . . 3.580 1.968 1.940 2.067 . 0 0 "[ . 1 . 2]" 1
122 1 35 LEU HB2 1 35 LEU MD2 . . 3.230 2.391 2.273 2.491 . 0 0 "[ . 1 . 2]" 1
123 1 35 LEU HB3 1 35 LEU MD2 . . 3.230 2.281 2.144 2.416 . 0 0 "[ . 1 . 2]" 1
124 1 35 LEU HB3 1 59 LEU MD1 . . 4.350 4.282 4.161 4.352 0.002 14 0 "[ . 1 . 2]" 1
125 1 35 LEU HA 1 72 CYS HB2 . . 4.140 3.286 3.180 3.425 . 0 0 "[ . 1 . 2]" 1
126 1 59 LEU H 1 59 LEU MD2 . . 4.040 3.965 3.897 4.040 0.000 1 0 "[ . 1 . 2]" 1
127 1 59 LEU HA 1 59 LEU MD1 . . 4.010 3.951 3.932 3.968 . 0 0 "[ . 1 . 2]" 1
128 1 59 LEU HA 1 59 LEU MD2 . . 3.070 2.359 2.304 2.396 . 0 0 "[ . 1 . 2]" 1
129 1 35 LEU HA 1 59 LEU MD1 . . 4.060 2.700 2.637 2.810 . 0 0 "[ . 1 . 2]" 1
130 1 59 LEU MD1 1 72 CYS HB2 . . 3.800 3.026 2.971 3.098 . 0 0 "[ . 1 . 2]" 1
131 1 59 LEU MD2 1 72 CYS HB3 . . 3.830 2.330 2.193 2.523 . 0 0 "[ . 1 . 2]" 1
132 1 59 LEU HB2 1 59 LEU MD1 . . 3.400 2.144 2.099 2.183 . 0 0 "[ . 1 . 2]" 1
133 1 59 LEU HB2 1 59 LEU MD2 . . 3.500 3.148 3.138 3.156 . 0 0 "[ . 1 . 2]" 1
134 1 35 LEU HB2 1 59 LEU MD1 . . 4.350 3.445 3.285 3.570 . 0 0 "[ . 1 . 2]" 1
135 1 35 LEU MD1 1 59 LEU MD1 . . 3.890 3.793 3.542 3.893 0.003 9 0 "[ . 1 . 2]" 1
136 1 59 LEU HB3 1 59 LEU MD2 . . 3.360 2.233 2.217 2.245 . 0 0 "[ . 1 . 2]" 1
137 1 35 LEU HA 1 36 ASN HA . . 4.480 4.423 4.406 4.450 . 0 0 "[ . 1 . 2]" 1
138 1 35 LEU HG 1 36 ASN HB3 . . 4.390 4.208 4.102 4.314 . 0 0 "[ . 1 . 2]" 1
139 1 35 LEU HG 1 36 ASN HB2 . . 4.390 2.971 2.606 3.725 . 0 0 "[ . 1 . 2]" 1
140 1 35 LEU HG 1 36 ASN HA . . 4.340 3.943 3.683 4.120 . 0 0 "[ . 1 . 2]" 1
141 1 36 ASN HA 1 71 ARG HB2 . . 4.660 4.650 4.527 4.671 0.011 10 0 "[ . 1 . 2]" 1
142 1 36 ASN HA 1 71 ARG HB3 . . 4.660 3.468 3.088 3.942 . 0 0 "[ . 1 . 2]" 1
143 1 35 LEU MD1 1 36 ASN HA . . 3.980 3.448 3.200 3.982 0.002 2 0 "[ . 1 . 2]" 1
144 1 35 LEU MD1 1 36 ASN HB2 . . 5.310 4.017 3.584 4.923 . 0 0 "[ . 1 . 2]" 1
145 1 38 PRO HB2 1 39 CYS H . . 4.150 3.593 3.171 3.760 . 0 0 "[ . 1 . 2]" 1
146 1 38 PRO HB3 1 39 CYS H . . 4.150 4.044 3.767 4.158 0.008 12 0 "[ . 1 . 2]" 1
147 1 40 GLU HB2 1 41 VAL H . . 4.230 4.036 3.887 4.236 0.006 8 0 "[ . 1 . 2]" 1
148 1 40 GLU HB3 1 41 VAL H . . 4.230 3.830 3.345 4.065 . 0 0 "[ . 1 . 2]" 1
149 1 40 GLU HB3 1 49 TYR QD . . 3.920 2.979 2.585 3.527 . 0 0 "[ . 1 . 2]" 1
150 1 40 GLU HA 1 40 GLU HG2 . . 3.800 3.491 2.955 3.802 0.002 11 0 "[ . 1 . 2]" 1
151 1 70 LEU HA 1 70 LEU MD1 . . 4.090 2.233 2.024 3.098 . 0 0 "[ . 1 . 2]" 1
152 1 70 LEU HB3 1 70 LEU MD1 . . 3.350 3.188 3.145 3.197 . 0 0 "[ . 1 . 2]" 1
153 1 70 LEU HB2 1 70 LEU MD1 . . 3.350 2.366 2.124 2.466 . 0 0 "[ . 1 . 2]" 1
154 1 41 VAL MG1 1 42 GLU H . . 4.090 3.081 2.921 3.264 . 0 0 "[ . 1 . 2]" 1
155 1 41 VAL H 1 41 VAL MG1 . . 3.850 3.760 3.754 3.764 . 0 0 "[ . 1 . 2]" 1
156 1 41 VAL HA 1 41 VAL MG1 . . 3.180 2.338 2.207 2.394 . 0 0 "[ . 1 . 2]" 1
157 1 41 VAL MG1 1 61 CYS HB3 . . 4.740 4.556 4.057 4.747 0.007 2 0 "[ . 1 . 2]" 1
158 1 41 VAL MG1 1 61 CYS HB2 . . 4.740 4.456 4.098 4.674 . 0 0 "[ . 1 . 2]" 1
159 1 41 VAL MG1 1 42 GLU QG . . 4.540 2.176 1.962 3.366 . 0 0 "[ . 1 . 2]" 1
160 1 42 GLU HA 1 43 PRO HD2 . . 3.140 2.446 2.408 2.453 . 0 0 "[ . 1 . 2]" 1
161 1 42 GLU H 1 42 GLU HB2 . . 3.990 2.817 2.672 3.925 . 0 0 "[ . 1 . 2]" 1
162 1 43 PRO HA 1 49 TYR HA . . 3.720 3.590 3.431 3.720 0.000 3 0 "[ . 1 . 2]" 1
163 1 43 PRO QG 1 47 GLY HA2 . . 3.950 2.050 1.990 2.088 . 0 0 "[ . 1 . 2]" 1
164 1 42 GLU HA 1 43 PRO QG . . 4.040 4.030 4.006 4.035 . 0 0 "[ . 1 . 2]" 1
165 1 42 GLU HA 1 43 PRO HD3 . . 3.080 2.316 2.301 2.320 . 0 0 "[ . 1 . 2]" 1
166 1 45 GLU HA 1 47 GLY H . . 4.480 4.313 4.274 4.368 . 0 0 "[ . 1 . 2]" 1
167 1 60 SER H 1 75 GLU QG . . 5.420 5.324 5.175 5.444 0.024 2 0 "[ . 1 . 2]" 1
168 1 45 GLU HA 1 45 GLU HG2 . . 3.850 3.507 2.627 3.796 . 0 0 "[ . 1 . 2]" 1
169 1 45 GLU HA 1 45 GLU HG3 . . 3.850 3.759 3.685 3.850 . 0 0 "[ . 1 . 2]" 1
170 1 46 ASN HB2 1 48 ILE MD . . 4.310 3.371 2.985 3.981 . 0 0 "[ . 1 . 2]" 1
171 1 46 ASN H 1 46 ASN HB2 . . 3.890 2.351 2.254 2.485 . 0 0 "[ . 1 . 2]" 1
172 1 43 PRO QG 1 47 GLY HA3 . . 3.950 3.324 3.295 3.340 . 0 0 "[ . 1 . 2]" 1
173 1 43 PRO HB2 1 47 GLY HA3 . . 4.250 3.648 3.548 3.793 . 0 0 "[ . 1 . 2]" 1
174 1 43 PRO HB2 1 47 GLY HA2 . . 4.250 2.096 1.995 2.285 . 0 0 "[ . 1 . 2]" 1
175 1 48 ILE HA 1 48 ILE MD . . 3.970 3.688 2.009 3.871 . 0 0 "[ . 1 . 2]" 1
176 1 48 ILE MD 1 48 ILE MG . . 3.020 2.045 1.933 2.117 . 0 0 "[ . 1 . 2]" 1
177 1 17 GLN HG2 1 48 ILE MG . . 4.440 3.442 2.009 4.410 . 0 0 "[ . 1 . 2]" 1
178 1 48 ILE MG 1 49 TYR HB2 . . 4.310 3.903 3.858 3.970 . 0 0 "[ . 1 . 2]" 1
179 1 48 ILE HA 1 48 ILE MG . . 3.340 2.290 2.190 2.343 . 0 0 "[ . 1 . 2]" 1
180 1 16 VAL HA 1 48 ILE MG . . 3.910 2.285 2.023 2.489 . 0 0 "[ . 1 . 2]" 1
181 1 44 ASN HD22 1 48 ILE MG . . 4.360 3.672 3.286 3.829 . 0 0 "[ . 1 . 2]" 1
182 1 17 GLN HE21 1 48 ILE MG . . 4.900 4.217 2.905 4.874 . 0 0 "[ . 1 . 2]" 1
183 1 17 GLN H 1 48 ILE MG . . 3.810 2.279 1.898 2.783 . 0 0 "[ . 1 . 2]" 1
184 1 48 ILE HB 1 48 ILE MD . . 3.550 2.432 2.300 3.229 . 0 0 "[ . 1 . 2]" 1
185 1 17 GLN HG2 1 48 ILE MD . . 5.500 3.736 2.438 5.513 0.013 5 0 "[ . 1 . 2]" 1
186 1 46 ASN HB3 1 48 ILE MD . . 4.310 3.042 2.791 3.471 . 0 0 "[ . 1 . 2]" 1
187 1 15 CYS HB2 1 48 ILE MD . . 4.710 3.917 1.978 4.311 . 0 0 "[ . 1 . 2]" 1
188 1 15 CYS HB3 1 48 ILE MD . . 4.280 3.813 2.775 4.223 . 0 0 "[ . 1 . 2]" 1
189 1 44 ASN HD21 1 48 ILE MD . . 4.740 4.056 3.794 4.644 . 0 0 "[ . 1 . 2]" 1
190 1 49 TYR HA 1 49 TYR QD . . 3.810 3.064 3.014 3.106 . 0 0 "[ . 1 . 2]" 1
191 1 50 SER HB2 1 52 HIS H . . 4.370 4.301 4.187 4.365 . 0 0 "[ . 1 . 2]" 1
192 1 50 SER HB3 1 52 HIS H . . 4.370 4.302 4.229 4.359 . 0 0 "[ . 1 . 2]" 1
193 1 51 GLN HA 1 51 GLN HG2 . . 3.990 2.796 2.161 3.604 . 0 0 "[ . 1 . 2]" 1
194 1 51 GLN HA 1 51 GLN HG3 . . 3.990 2.786 2.163 3.779 . 0 0 "[ . 1 . 2]" 1
195 1 54 PRO HB3 1 55 CYS H . . 3.670 3.460 3.455 3.511 . 0 0 "[ . 1 . 2]" 1
196 1 32 LEU MD2 1 54 PRO HB3 . . 5.170 4.804 4.673 4.969 . 0 0 "[ . 1 . 2]" 1
197 1 32 LEU MD2 1 54 PRO HB2 . . 4.270 3.896 3.758 4.079 . 0 0 "[ . 1 . 2]" 1
198 1 32 LEU MD2 1 54 PRO HG3 . . 4.260 4.024 3.859 4.242 . 0 0 "[ . 1 . 2]" 1
199 1 53 CYS HB2 1 54 PRO HD2 . . 4.060 3.591 3.584 3.598 . 0 0 "[ . 1 . 2]" 1
200 1 53 CYS HA 1 54 PRO HD3 . . 3.490 2.342 2.330 2.347 . 0 0 "[ . 1 . 2]" 1
201 1 53 CYS HB3 1 54 PRO HD3 . . 3.930 3.440 3.433 3.445 . 0 0 "[ . 1 . 2]" 1
202 1 53 CYS HB2 1 54 PRO HD3 . . 4.880 4.682 4.677 4.688 . 0 0 "[ . 1 . 2]" 1
203 1 32 LEU MD2 1 54 PRO HD3 . . 4.440 4.259 4.128 4.387 . 0 0 "[ . 1 . 2]" 1
204 1 56 GLY HA2 1 57 GLU H . . 3.450 3.087 3.068 3.114 . 0 0 "[ . 1 . 2]" 1
205 1 56 GLY HA2 1 57 GLU QB . . 5.340 5.020 4.999 5.050 . 0 0 "[ . 1 . 2]" 1
206 1 56 GLY HA3 1 57 GLU QB . . 4.720 4.553 4.528 4.585 . 0 0 "[ . 1 . 2]" 1
207 1 32 LEU HB3 1 56 GLY HA2 . . 5.020 4.934 4.894 5.022 0.002 5 0 "[ . 1 . 2]" 1
208 1 32 LEU HB3 1 56 GLY HA3 . . 4.500 3.503 3.466 3.580 . 0 0 "[ . 1 . 2]" 1
209 1 32 LEU HB2 1 56 GLY HA3 . . 4.410 4.411 4.399 4.416 0.006 1 0 "[ . 1 . 2]" 1
210 1 32 LEU MD2 1 56 GLY HA2 . . 4.320 3.643 3.458 3.840 . 0 0 "[ . 1 . 2]" 1
211 1 32 LEU MD1 1 56 GLY HA2 . . 3.410 3.326 3.301 3.371 . 0 0 "[ . 1 . 2]" 1
212 1 32 LEU MD1 1 56 GLY HA3 . . 3.490 1.943 1.899 1.974 . 0 0 "[ . 1 . 2]" 1
213 1 57 GLU QB 1 58 GLY H . . 4.170 4.036 4.029 4.052 . 0 0 "[ . 1 . 2]" 1
214 1 57 GLU QB 1 59 LEU H . . 4.800 4.784 4.730 4.805 0.005 7 0 "[ . 1 . 2]" 1
215 1 57 GLU HA 1 58 GLY HA3 . . 4.400 4.386 4.357 4.396 . 0 0 "[ . 1 . 2]" 1
216 1 57 GLU HA 1 57 GLU HG2 . . 3.950 3.812 3.701 3.837 . 0 0 "[ . 1 . 2]" 1
217 1 57 GLU QB 1 59 LEU MD1 . . 4.690 3.639 3.623 3.666 . 0 0 "[ . 1 . 2]" 1
218 1 57 GLU QB 1 58 GLY HA3 . . 4.840 4.739 4.730 4.748 . 0 0 "[ . 1 . 2]" 1
219 1 59 LEU HB2 1 72 CYS HB3 . . 4.540 3.405 3.267 3.615 . 0 0 "[ . 1 . 2]" 1
220 1 59 LEU HB3 1 72 CYS HB3 . . 4.060 2.523 2.371 2.702 . 0 0 "[ . 1 . 2]" 1
221 1 60 SER HB2 1 61 CYS H . . 4.590 4.494 4.401 4.543 . 0 0 "[ . 1 . 2]" 1
222 1 60 SER HB3 1 62 THR MG . . 4.640 4.541 4.408 4.633 . 0 0 "[ . 1 . 2]" 1
223 1 62 THR HB 1 73 GLN HB2 . . 3.870 3.866 3.831 3.876 0.006 4 0 "[ . 1 . 2]" 1
224 1 62 THR HB 1 73 GLN HB3 . . 4.330 3.224 3.003 3.374 . 0 0 "[ . 1 . 2]" 1
225 1 62 THR HB 1 63 LYS H . . 4.220 4.129 4.022 4.171 . 0 0 "[ . 1 . 2]" 1
226 1 62 THR MG 1 73 GLN HB3 . . 3.720 2.373 2.185 2.637 . 0 0 "[ . 1 . 2]" 1
227 1 62 THR MG 1 73 GLN HB2 . . 3.360 1.999 1.924 2.149 . 0 0 "[ . 1 . 2]" 1
228 1 62 THR HA 1 62 THR MG . . 3.210 3.203 3.196 3.205 . 0 0 "[ . 1 . 2]" 1
229 1 62 THR MG 1 73 GLN HE21 . . 4.350 3.256 3.066 3.369 . 0 0 "[ . 1 . 2]" 1
230 1 62 THR MG 1 64 VAL H . . 4.720 4.356 4.220 4.490 . 0 0 "[ . 1 . 2]" 1
231 1 63 LYS QE 1 63 LYS HG2 . . 3.650 2.249 2.018 3.260 . 0 0 "[ . 1 . 2]" 1
232 1 63 LYS QE 1 63 LYS HG3 . . 3.650 2.735 2.101 3.241 . 0 0 "[ . 1 . 2]" 1
233 1 63 LYS QE 1 68 ASN HA . . 3.890 3.199 1.996 3.838 . 0 0 "[ . 1 . 2]" 1
234 1 64 VAL H 1 64 VAL MG1 . . 3.710 2.842 2.569 3.035 . 0 0 "[ . 1 . 2]" 1
235 1 64 VAL MG2 1 71 ARG H . . 4.290 3.525 3.018 4.279 . 0 0 "[ . 1 . 2]" 1
236 1 64 VAL H 1 64 VAL MG2 . . 3.710 2.133 1.995 2.266 . 0 0 "[ . 1 . 2]" 1
237 1 64 VAL MG1 1 70 LEU HA . . 5.050 4.225 3.808 4.843 . 0 0 "[ . 1 . 2]" 1
238 1 64 VAL HA 1 64 VAL MG1 . . 3.530 2.322 2.170 2.429 . 0 0 "[ . 1 . 2]" 1
239 1 63 LYS HA 1 64 VAL MG1 . . 5.140 3.762 3.593 3.995 . 0 0 "[ . 1 . 2]" 1
240 1 63 LYS HA 1 64 VAL MG2 . . 5.140 3.750 3.636 3.882 . 0 0 "[ . 1 . 2]" 1
241 1 64 VAL MG2 1 70 LEU HA . . 5.050 3.659 2.928 4.323 . 0 0 "[ . 1 . 2]" 1
242 1 64 VAL HA 1 64 VAL MG2 . . 3.530 3.197 3.182 3.203 . 0 0 "[ . 1 . 2]" 1
243 1 64 VAL MG1 1 71 ARG HB2 . . 4.610 2.548 2.109 3.180 . 0 0 "[ . 1 . 2]" 1
244 1 65 GLY HA3 1 69 LYS HB3 . . 3.800 2.253 2.044 2.508 . 0 0 "[ . 1 . 2]" 1
245 1 65 GLY HA2 1 69 LYS HB3 . . 4.330 3.687 3.619 3.957 . 0 0 "[ . 1 . 2]" 1
246 1 66 GLU H 1 66 GLU HB3 . . 3.910 3.587 3.359 3.892 . 0 0 "[ . 1 . 2]" 1
247 1 66 GLU HB3 1 67 PRO HA . . 3.890 2.632 1.950 2.766 . 0 0 "[ . 1 . 2]" 1
248 1 66 GLU HB2 1 67 PRO HA . . 3.890 2.069 1.950 2.729 . 0 0 "[ . 1 . 2]" 1
249 1 65 GLY H 1 69 LYS HB3 . . 4.220 2.475 1.949 2.762 . 0 0 "[ . 1 . 2]" 1
250 1 65 GLY H 1 69 LYS HB2 . . 4.590 4.158 3.683 4.444 . 0 0 "[ . 1 . 2]" 1
251 1 69 LYS HA 1 69 LYS HG2 . . 3.870 3.239 2.423 3.789 . 0 0 "[ . 1 . 2]" 1
252 1 69 LYS HA 1 69 LYS HG3 . . 3.870 2.517 2.261 2.995 . 0 0 "[ . 1 . 2]" 1
253 1 70 LEU H 1 70 LEU HG . . 4.630 4.359 3.688 4.601 . 0 0 "[ . 1 . 2]" 1
254 1 70 LEU HB3 1 70 LEU MD2 . . 3.350 2.343 2.202 2.411 . 0 0 "[ . 1 . 2]" 1
255 1 70 LEU HB2 1 70 LEU MD2 . . 3.350 2.302 2.216 2.575 . 0 0 "[ . 1 . 2]" 1
256 1 70 LEU HA 1 70 LEU MD2 . . 4.090 3.782 3.613 3.816 . 0 0 "[ . 1 . 2]" 1
257 1 70 LEU MD2 1 71 ARG H . . 5.070 4.483 4.005 4.735 . 0 0 "[ . 1 . 2]" 1
258 1 64 VAL MG2 1 71 ARG HB2 . . 4.610 2.381 1.905 3.200 . 0 0 "[ . 1 . 2]" 1
259 1 64 VAL MG2 1 71 ARG HB3 . . 4.610 3.497 2.721 4.316 . 0 0 "[ . 1 . 2]" 1
260 1 64 VAL MG1 1 71 ARG HB3 . . 4.610 3.457 1.938 4.598 . 0 0 "[ . 1 . 2]" 1
261 1 73 GLN HB2 1 74 GLU H . . 4.550 4.326 4.207 4.389 . 0 0 "[ . 1 . 2]" 1
262 1 73 GLN HB3 1 74 GLU H . . 4.200 4.065 3.969 4.137 . 0 0 "[ . 1 . 2]" 1
263 1 74 GLU HA 1 74 GLU QG . . 3.340 2.854 2.262 3.341 0.001 11 0 "[ . 1 . 2]" 1
264 1 35 LEU MD1 1 74 GLU HA . . 4.240 4.014 3.458 4.244 0.004 10 0 "[ . 1 . 2]" 1
265 1 59 LEU MD2 1 74 GLU HA . . 2.960 2.376 2.313 2.484 . 0 0 "[ . 1 . 2]" 1
266 1 59 LEU MD2 1 74 GLU HB2 . . 4.360 4.002 3.735 4.224 . 0 0 "[ . 1 . 2]" 1
267 1 59 LEU MD2 1 74 GLU HB3 . . 4.360 3.483 2.706 4.280 . 0 0 "[ . 1 . 2]" 1
268 1 59 LEU HA 1 74 GLU HA . . 3.420 2.230 1.998 2.518 . 0 0 "[ . 1 . 2]" 1
269 1 60 SER H 1 74 GLU HA . . 4.190 3.964 3.802 4.164 . 0 0 "[ . 1 . 2]" 1
270 1 74 GLU QG 1 75 GLU H . . 4.590 4.296 4.052 4.519 . 0 0 "[ . 1 . 2]" 1
271 1 57 GLU HA 1 57 GLU HG3 . . 3.950 3.683 3.667 3.794 . 0 0 "[ . 1 . 2]" 1
272 1 60 SER HB2 1 75 GLU HA . . 3.890 3.527 3.337 3.651 . 0 0 "[ . 1 . 2]" 1
273 1 60 SER HB2 1 75 GLU QG . . 3.970 2.759 2.539 3.000 . 0 0 "[ . 1 . 2]" 1
274 1 75 GLU HA 1 75 GLU QG . . 3.420 2.285 2.160 2.935 . 0 0 "[ . 1 . 2]" 1
275 1 17 GLN H 1 17 GLN HG3 . . 4.870 4.449 4.157 4.794 . 0 0 "[ . 1 . 2]" 1
276 1 30 HIS HA 1 31 PRO QG . . 4.360 3.959 3.952 3.964 . 0 0 "[ . 1 . 2]" 1
277 1 30 HIS HA 1 31 PRO HD2 . . 3.120 2.331 2.319 2.340 . 0 0 "[ . 1 . 2]" 1
278 1 30 HIS HA 1 31 PRO HD3 . . 3.530 2.275 2.272 2.278 . 0 0 "[ . 1 . 2]" 1
279 1 16 VAL MG2 1 30 HIS HB2 . . 3.720 2.153 2.030 2.258 . 0 0 "[ . 1 . 2]" 1
280 1 16 VAL MG2 1 30 HIS HB3 . . 3.720 3.589 3.471 3.723 0.003 2 0 "[ . 1 . 2]" 1
281 1 16 VAL MG2 1 49 TYR HB2 . . 4.740 4.663 4.479 4.743 0.003 6 0 "[ . 1 . 2]" 1
282 1 16 VAL MG1 1 30 HIS HB2 . . 3.720 2.232 1.982 2.705 . 0 0 "[ . 1 . 2]" 1
283 1 16 VAL MG1 1 30 HIS HB3 . . 3.720 3.042 2.891 3.311 . 0 0 "[ . 1 . 2]" 1
284 1 16 VAL MG1 1 49 TYR HB2 . . 4.740 2.043 1.919 2.253 . 0 0 "[ . 1 . 2]" 1
285 1 16 VAL MG2 1 51 GLN HA . . 4.330 3.789 3.623 3.944 . 0 0 "[ . 1 . 2]" 1
286 1 16 VAL MG1 1 51 GLN HA . . 4.330 2.947 2.755 3.203 . 0 0 "[ . 1 . 2]" 1
287 1 16 VAL MG1 1 30 HIS HA . . 5.330 4.809 4.601 5.235 . 0 0 "[ . 1 . 2]" 1
288 1 16 VAL MG1 1 30 HIS HD2 . . 4.400 3.924 3.733 4.115 . 0 0 "[ . 1 . 2]" 1
289 1 16 VAL MG1 1 17 GLN H . . 4.280 3.711 3.459 3.879 . 0 0 "[ . 1 . 2]" 1
290 1 16 VAL H 1 16 VAL MG1 . . 3.800 3.154 3.085 3.228 . 0 0 "[ . 1 . 2]" 1
291 1 16 VAL H 1 16 VAL MG2 . . 3.800 2.078 1.954 2.197 . 0 0 "[ . 1 . 2]" 1
292 1 16 VAL MG2 1 17 GLN H . . 4.280 3.965 3.579 4.142 . 0 0 "[ . 1 . 2]" 1
293 1 37 ASN HA 1 38 PRO HD2 . . 3.430 2.493 2.489 2.496 . 0 0 "[ . 1 . 2]" 1
294 1 37 ASN HA 1 38 PRO HD3 . . 3.430 2.340 2.337 2.341 . 0 0 "[ . 1 . 2]" 1
295 1 37 ASN HB2 1 38 PRO HD2 . . 4.900 3.527 2.194 3.683 . 0 0 "[ . 1 . 2]" 1
296 1 37 ASN HB2 1 38 PRO HD3 . . 4.900 4.585 3.400 4.723 . 0 0 "[ . 1 . 2]" 1
297 1 35 LEU HA 1 35 LEU MD2 . . 4.020 3.917 3.862 3.951 . 0 0 "[ . 1 . 2]" 1
298 1 35 LEU H 1 35 LEU MD2 . . 4.280 4.197 4.151 4.244 . 0 0 "[ . 1 . 2]" 1
299 1 35 LEU MD2 1 36 ASN H . . 4.450 4.097 3.925 4.208 . 0 0 "[ . 1 . 2]" 1
300 1 35 LEU MD2 1 74 GLU QG . . 4.180 2.703 2.083 3.670 . 0 0 "[ . 1 . 2]" 1
301 1 40 GLU HA 1 40 GLU HG3 . . 3.800 2.576 2.225 3.043 . 0 0 "[ . 1 . 2]" 1
302 1 15 CYS HB2 1 48 ILE MG . . 4.080 2.825 2.453 3.380 . 0 0 "[ . 1 . 2]" 1
303 1 15 CYS HB2 1 16 VAL H . . 4.460 4.079 3.990 4.196 . 0 0 "[ . 1 . 2]" 1
304 1 15 CYS HB3 1 16 VAL H . . 4.270 3.277 3.147 3.468 . 0 0 "[ . 1 . 2]" 1
305 1 15 CYS HB3 1 48 ILE MG . . 4.070 3.081 2.832 3.572 . 0 0 "[ . 1 . 2]" 1
306 1 2 VAL MG2 1 9 CYS H . . 4.810 4.278 3.340 4.758 . 0 0 "[ . 1 . 2]" 1
307 1 2 VAL MG1 1 9 CYS HB2 . . 4.550 2.389 1.920 3.084 . 0 0 "[ . 1 . 2]" 1
308 1 3 THR HB 1 8 GLN HG2 . . 5.330 5.003 4.333 5.330 0.000 1 0 "[ . 1 . 2]" 1
309 1 3 THR MG 1 8 GLN HG2 . . 4.020 3.617 3.161 3.948 . 0 0 "[ . 1 . 2]" 1
310 1 3 THR MG 1 4 CYS HA . . 4.400 3.786 3.548 3.963 . 0 0 "[ . 1 . 2]" 1
311 1 3 THR HA 1 4 CYS QB . . 4.950 4.470 4.213 4.603 . 0 0 "[ . 1 . 2]" 1
312 1 15 CYS HB2 1 48 ILE HB . . 5.500 5.105 4.903 5.440 . 0 0 "[ . 1 . 2]" 1
313 1 5 GLY HA3 1 26 SER HA . . 5.370 4.328 3.474 5.151 . 0 0 "[ . 1 . 2]" 1
314 1 4 CYS HA 1 5 GLY HA3 . . 4.690 4.474 4.405 4.554 . 0 0 "[ . 1 . 2]" 1
315 1 4 CYS HA 1 5 GLY HA2 . . 4.690 4.431 4.388 4.506 . 0 0 "[ . 1 . 2]" 1
316 1 5 GLY HA2 1 26 SER HA . . 5.370 4.450 3.441 5.227 . 0 0 "[ . 1 . 2]" 1
317 1 3 THR HA 1 9 CYS HB2 . . 4.900 4.544 4.103 4.810 . 0 0 "[ . 1 . 2]" 1
318 1 10 LYS QD 1 11 PRO HD3 . . 4.830 4.435 2.510 4.811 . 0 0 "[ . 1 . 2]" 1
319 1 14 CYS HB2 1 54 PRO HG2 . . 4.710 4.363 4.157 4.517 . 0 0 "[ . 1 . 2]" 1
320 1 14 CYS HB3 1 54 PRO HG2 . . 4.680 3.385 3.195 3.485 . 0 0 "[ . 1 . 2]" 1
321 1 15 CYS HA 1 16 VAL MG1 . . 4.610 4.037 3.938 4.108 . 0 0 "[ . 1 . 2]" 1
322 1 15 CYS HA 1 16 VAL MG2 . . 4.610 3.509 3.405 3.627 . 0 0 "[ . 1 . 2]" 1
323 1 10 LYS QE 1 10 LYS HG2 . . 3.900 2.842 2.042 3.453 . 0 0 "[ . 1 . 2]" 1
324 1 10 LYS QE 1 10 LYS HG3 . . 3.900 2.525 1.995 3.286 . 0 0 "[ . 1 . 2]" 1
325 1 34 LYS HB2 1 34 LYS QE . . 4.780 3.058 2.261 4.052 . 0 0 "[ . 1 . 2]" 1
326 1 62 THR MG 1 73 GLN HG3 . . 4.130 3.695 3.458 3.964 . 0 0 "[ . 1 . 2]" 1
327 1 73 GLN HA 1 73 GLN HG2 . . 3.940 3.645 3.635 3.654 . 0 0 "[ . 1 . 2]" 1
328 1 62 THR HB 1 73 GLN HG2 . . 4.690 4.567 4.415 4.697 0.007 12 0 "[ . 1 . 2]" 1
329 1 73 GLN H 1 73 GLN HG2 . . 5.180 5.087 5.011 5.135 . 0 0 "[ . 1 . 2]" 1
330 1 73 GLN HG2 1 74 GLU H . . 4.710 4.520 4.267 4.619 . 0 0 "[ . 1 . 2]" 1
331 1 62 THR MG 1 73 GLN HG2 . . 4.330 2.591 2.422 2.803 . 0 0 "[ . 1 . 2]" 1
332 1 73 GLN HB2 1 73 GLN HG2 . . 2.690 2.366 2.344 2.398 . 0 0 "[ . 1 . 2]" 1
333 1 40 GLU HA 1 42 GLU H . . 4.860 4.760 4.617 4.842 . 0 0 "[ . 1 . 2]" 1
334 1 73 GLN H 1 73 GLN HG3 . . 4.870 4.679 4.604 4.745 . 0 0 "[ . 1 . 2]" 1
335 1 1 SER HA 1 2 VAL HB . . 4.950 4.675 4.518 4.927 . 0 0 "[ . 1 . 2]" 1
336 1 7 LYS QD 1 8 GLN H . . 4.830 3.858 2.589 4.860 0.030 13 0 "[ . 1 . 2]" 1
337 1 10 LYS H 1 10 LYS QD . . 5.000 3.948 1.981 4.786 . 0 0 "[ . 1 . 2]" 1
338 1 14 CYS HA 1 49 TYR QD . . 5.390 5.122 4.873 5.357 . 0 0 "[ . 1 . 2]" 1
339 1 17 GLN HA 1 28 ARG H . . 4.780 3.697 3.375 3.953 . 0 0 "[ . 1 . 2]" 1
340 1 17 GLN HB2 1 50 SER HA . . 5.380 4.690 3.626 5.381 0.001 19 0 "[ . 1 . 2]" 1
341 1 16 VAL HB 1 48 ILE MG . . 4.940 4.210 3.944 4.416 . 0 0 "[ . 1 . 2]" 1
342 1 35 LEU MD1 1 73 GLN HB2 . . 4.770 3.862 3.771 3.948 . 0 0 "[ . 1 . 2]" 1
343 1 19 SER HB2 1 25 ASP HA . . 4.860 3.914 2.356 4.819 . 0 0 "[ . 1 . 2]" 1
344 1 19 SER HB3 1 25 ASP HA . . 4.860 3.620 2.062 4.778 . 0 0 "[ . 1 . 2]" 1
345 1 23 GLY HA3 1 24 LYS QG . . 4.630 4.122 3.885 4.420 . 0 0 "[ . 1 . 2]" 1
346 1 15 CYS HB3 1 27 PRO HB2 . . 4.770 3.125 2.269 3.673 . 0 0 "[ . 1 . 2]" 1
347 1 15 CYS HB3 1 27 PRO HB3 . . 4.770 4.010 3.013 4.769 . 0 0 "[ . 1 . 2]" 1
348 1 4 CYS QB 1 27 PRO HB3 . . 4.780 4.238 3.691 4.719 . 0 0 "[ . 1 . 2]" 1
349 1 28 ARG H 1 28 ARG HG3 . . 4.980 4.331 2.511 4.875 . 0 0 "[ . 1 . 2]" 1
350 1 30 HIS HB2 1 31 PRO HD2 . . 4.810 3.908 3.896 3.921 . 0 0 "[ . 1 . 2]" 1
351 1 34 LYS HB2 1 59 LEU MD1 . . 4.600 3.795 3.695 3.888 . 0 0 "[ . 1 . 2]" 1
352 1 32 LEU HB3 1 33 GLY HA3 . . 4.610 4.532 4.409 4.588 . 0 0 "[ . 1 . 2]" 1
353 1 33 GLY HA2 1 34 LYS HB3 . . 4.620 4.307 4.266 4.350 . 0 0 "[ . 1 . 2]" 1
354 1 32 LEU MD2 1 33 GLY HA2 . . 5.500 5.270 5.188 5.353 . 0 0 "[ . 1 . 2]" 1
355 1 32 LEU HA 1 32 LEU MD1 . . 4.700 3.847 3.837 3.855 . 0 0 "[ . 1 . 2]" 1
356 1 31 PRO HA 1 32 LEU MD2 . . 5.460 5.164 5.097 5.242 . 0 0 "[ . 1 . 2]" 1
357 1 31 PRO HA 1 32 LEU HG . . 4.620 4.292 4.242 4.349 . 0 0 "[ . 1 . 2]" 1
358 1 13 SER H 1 32 LEU MD1 . . 4.400 4.191 3.985 4.278 . 0 0 "[ . 1 . 2]" 1
359 1 32 LEU HB2 1 56 GLY H . . 4.650 4.500 4.364 4.594 . 0 0 "[ . 1 . 2]" 1
360 1 33 GLY HA3 1 56 GLY H . . 5.500 5.214 5.034 5.355 . 0 0 "[ . 1 . 2]" 1
361 1 34 LYS QD 1 35 LEU H . . 4.180 3.709 3.442 4.184 0.004 16 0 "[ . 1 . 2]" 1
362 1 34 LYS HG3 1 35 LEU MD1 . . 5.500 5.468 5.302 5.509 0.009 2 0 "[ . 1 . 2]" 1
363 1 34 LYS HG3 1 59 LEU MD1 . . 4.560 4.461 4.401 4.509 . 0 0 "[ . 1 . 2]" 1
364 1 34 LYS HG2 1 59 LEU MD1 . . 5.100 4.954 4.817 5.048 . 0 0 "[ . 1 . 2]" 1
365 1 35 LEU MD1 1 36 ASN HB3 . . 5.310 4.646 4.297 5.238 . 0 0 "[ . 1 . 2]" 1
366 1 35 LEU MD2 1 59 LEU MD2 . . 4.420 3.316 3.164 3.433 . 0 0 "[ . 1 . 2]" 1
367 1 33 GLY HA2 1 37 ASN HB2 . . 4.950 4.647 4.504 4.821 . 0 0 "[ . 1 . 2]" 1
368 1 33 GLY HA3 1 37 ASN HB2 . . 5.190 4.686 4.493 5.195 0.005 6 0 "[ . 1 . 2]" 1
369 1 37 ASN HB3 1 38 PRO HD2 . . 4.900 2.451 2.219 3.661 . 0 0 "[ . 1 . 2]" 1
370 1 33 GLY HA2 1 37 ASN HB3 . . 4.950 4.178 3.934 4.641 . 0 0 "[ . 1 . 2]" 1
371 1 33 GLY HA3 1 37 ASN HB3 . . 5.190 4.172 3.888 4.683 . 0 0 "[ . 1 . 2]" 1
372 1 34 LYS HA 1 35 LEU HB3 . . 5.110 4.970 4.891 5.130 0.020 2 0 "[ . 1 . 2]" 1
373 1 34 LYS HA 1 35 LEU HB2 . . 5.110 4.819 4.669 4.887 . 0 0 "[ . 1 . 2]" 1
374 1 35 LEU H 1 35 LEU HG . . 4.910 4.345 4.283 4.467 . 0 0 "[ . 1 . 2]" 1
375 1 35 LEU MD1 1 36 ASN HD21 . . 4.550 3.588 1.912 4.201 . 0 0 "[ . 1 . 2]" 1
376 1 35 LEU MD1 1 73 GLN HE21 . . 4.650 2.965 2.752 3.082 . 0 0 "[ . 1 . 2]" 1
377 1 35 LEU MD1 1 36 ASN HD22 . . 4.660 3.334 2.722 3.660 . 0 0 "[ . 1 . 2]" 1
378 1 35 LEU MD1 1 72 CYS HA . . 4.870 4.760 4.550 4.868 . 0 0 "[ . 1 . 2]" 1
379 1 35 LEU HA 1 72 CYS HB3 . . 4.440 2.496 2.402 2.591 . 0 0 "[ . 1 . 2]" 1
380 1 34 LYS HB2 1 35 LEU HA . . 4.910 4.722 4.667 4.768 . 0 0 "[ . 1 . 2]" 1
381 1 36 ASN HA 1 72 CYS HB3 . . 5.490 5.325 5.130 5.500 0.010 2 0 "[ . 1 . 2]" 1
382 1 41 VAL MG1 1 42 GLU HA . . 5.500 3.978 3.858 4.164 . 0 0 "[ . 1 . 2]" 1
383 1 37 ASN HB3 1 38 PRO HD3 . . 4.900 3.800 3.625 4.671 . 0 0 "[ . 1 . 2]" 1
384 1 44 ASN HB2 1 45 GLU QB . . 4.770 4.621 4.295 4.771 0.001 6 0 "[ . 1 . 2]" 1
385 1 44 ASN HB2 1 45 GLU HA . . 5.120 4.687 4.668 4.697 . 0 0 "[ . 1 . 2]" 1
386 1 44 ASN HB3 1 45 GLU HA . . 5.120 4.881 4.866 4.909 . 0 0 "[ . 1 . 2]" 1
387 1 44 ASN HA 1 45 GLU HA . . 4.610 4.325 4.324 4.327 . 0 0 "[ . 1 . 2]" 1
388 1 45 GLU HA 1 46 ASN HA . . 4.850 4.625 4.608 4.660 . 0 0 "[ . 1 . 2]" 1
389 1 48 ILE MD 1 49 TYR H . . 4.840 4.711 3.675 4.848 0.008 9 0 "[ . 1 . 2]" 1
390 1 17 GLN H 1 48 ILE MD . . 5.460 4.681 4.169 5.317 . 0 0 "[ . 1 . 2]" 1
391 1 17 GLN H 1 50 SER HA . . 4.590 3.349 2.962 3.926 . 0 0 "[ . 1 . 2]" 1
392 1 44 ASN HD22 1 48 ILE MD . . 4.980 4.704 4.559 5.045 0.065 2 0 "[ . 1 . 2]" 1
393 1 14 CYS HB2 1 54 PRO HD2 . . 4.600 3.345 3.097 3.510 . 0 0 "[ . 1 . 2]" 1
394 1 14 CYS HB2 1 54 PRO HD3 . . 4.980 3.763 3.442 3.930 . 0 0 "[ . 1 . 2]" 1
395 1 32 LEU HA 1 54 PRO HD2 . . 4.820 3.907 3.834 4.107 . 0 0 "[ . 1 . 2]" 1
396 1 39 CYS HB3 1 54 PRO HA . . 4.960 3.966 3.763 4.097 . 0 0 "[ . 1 . 2]" 1
397 1 51 GLN H 1 51 GLN HG3 . . 4.880 3.848 2.854 4.643 . 0 0 "[ . 1 . 2]" 1
398 1 49 TYR QD 1 53 CYS HA . . 4.660 3.768 3.651 3.840 . 0 0 "[ . 1 . 2]" 1
399 1 49 TYR QD 1 54 PRO HD3 . . 4.550 3.284 3.244 3.326 . 0 0 "[ . 1 . 2]" 1
400 1 40 GLU H 1 54 PRO HA . . 4.650 2.898 2.812 3.010 . 0 0 "[ . 1 . 2]" 1
401 1 53 CYS H 1 54 PRO HD2 . . 4.900 4.775 4.767 4.790 . 0 0 "[ . 1 . 2]" 1
402 1 55 CYS HB2 1 59 LEU H . . 4.790 4.550 4.407 4.691 . 0 0 "[ . 1 . 2]" 1
403 1 54 PRO HA 1 55 CYS HB2 . . 4.930 4.813 4.765 4.847 . 0 0 "[ . 1 . 2]" 1
404 1 55 CYS HB3 1 56 GLY HA2 . . 4.730 4.356 4.326 4.405 . 0 0 "[ . 1 . 2]" 1
405 1 55 CYS HB3 1 56 GLY HA3 . . 5.480 5.217 5.155 5.264 . 0 0 "[ . 1 . 2]" 1
406 1 60 SER HB3 1 62 THR HB . . 4.740 3.760 3.693 3.804 . 0 0 "[ . 1 . 2]" 1
407 1 60 SER HB2 1 62 THR HB . . 5.500 5.488 5.450 5.506 0.006 2 0 "[ . 1 . 2]" 1
408 1 59 LEU HA 1 60 SER HB3 . . 5.120 4.969 4.831 5.033 . 0 0 "[ . 1 . 2]" 1
409 1 59 LEU HA 1 60 SER HB2 . . 4.440 3.964 3.928 4.069 . 0 0 "[ . 1 . 2]" 1
410 1 61 CYS HB2 1 72 CYS HA . . 5.500 5.244 4.809 5.498 . 0 0 "[ . 1 . 2]" 1
411 1 61 CYS HB3 1 72 CYS HA . . 5.500 5.459 5.292 5.506 0.006 2 0 "[ . 1 . 2]" 1
412 1 61 CYS HA 1 62 THR HA . . 4.940 4.394 4.387 4.400 . 0 0 "[ . 1 . 2]" 1
413 1 62 THR HA 1 63 LYS HA . . 5.270 4.340 4.332 4.349 . 0 0 "[ . 1 . 2]" 1
414 1 61 CYS HA 1 62 THR HB . . 4.880 4.651 4.608 4.690 . 0 0 "[ . 1 . 2]" 1
415 1 59 LEU MD2 1 73 GLN HA . . 4.290 3.080 2.939 3.206 . 0 0 "[ . 1 . 2]" 1
416 1 36 ASN H 1 59 LEU MD1 . . 4.550 4.460 4.324 4.550 0.000 1 0 "[ . 1 . 2]" 1
417 1 63 LYS HD2 1 68 ASN HA . . 5.050 3.142 2.014 5.025 . 0 0 "[ . 1 . 2]" 1
418 1 69 LYS HB2 1 70 LEU H . . 4.690 4.611 4.550 4.639 . 0 0 "[ . 1 . 2]" 1
419 1 69 LYS HB3 1 70 LEU H . . 4.920 4.445 4.304 4.497 . 0 0 "[ . 1 . 2]" 1
420 1 70 LEU HB3 1 71 ARG H . . 4.810 3.173 2.605 3.653 . 0 0 "[ . 1 . 2]" 1
421 1 69 LYS H 1 69 LYS HG2 . . 4.760 4.493 4.417 4.698 . 0 0 "[ . 1 . 2]" 1
422 1 39 CYS H 1 71 ARG HA . . 4.920 2.818 2.449 3.102 . 0 0 "[ . 1 . 2]" 1
423 1 59 LEU MD2 1 74 GLU QG . . 4.020 2.991 1.891 4.008 . 0 0 "[ . 1 . 2]" 1
424 1 59 LEU HA 1 75 GLU HB2 . . 5.260 3.979 3.599 4.133 . 0 0 "[ . 1 . 2]" 1
425 1 59 LEU HA 1 75 GLU HB3 . . 5.260 5.160 4.495 5.262 0.002 19 0 "[ . 1 . 2]" 1
426 1 72 CYS HA 1 73 GLN HB3 . . 4.740 4.699 4.605 4.783 0.043 10 0 "[ . 1 . 2]" 1
427 1 7 LYS HA 1 7 LYS QE . . 4.820 3.950 2.064 4.864 0.044 13 0 "[ . 1 . 2]" 1
428 1 3 THR HA 1 8 GLN QB . . 4.790 4.299 4.041 4.717 . 0 0 "[ . 1 . 2]" 1
429 1 3 THR MG 1 8 GLN QB . . 4.590 4.118 3.745 4.355 . 0 0 "[ . 1 . 2]" 1
430 1 10 LYS HA 1 10 LYS QE . . 4.830 4.300 3.025 4.716 . 0 0 "[ . 1 . 2]" 1
431 1 10 LYS HB3 1 11 PRO HD2 . . 3.780 2.080 1.937 2.272 . 0 0 "[ . 1 . 2]" 1
432 1 11 PRO HA 1 12 ASN HB2 . . 5.010 4.859 4.680 4.987 . 0 0 "[ . 1 . 2]" 1
433 1 11 PRO HB2 1 12 ASN HA . . 4.830 4.276 4.163 4.421 . 0 0 "[ . 1 . 2]" 1
434 1 9 CYS HB3 1 13 SER HB3 . . 4.850 4.528 3.738 4.843 . 0 0 "[ . 1 . 2]" 1
435 1 13 SER HA 1 31 PRO HB3 . . 5.500 5.204 5.004 5.311 . 0 0 "[ . 1 . 2]" 1
436 1 13 SER HA 1 31 PRO HB2 . . 5.500 5.459 5.265 5.513 0.013 10 0 "[ . 1 . 2]" 1
437 1 15 CYS HB2 1 48 ILE HA . . 4.840 2.882 2.798 2.950 . 0 0 "[ . 1 . 2]" 1
438 1 16 VAL MG2 1 30 HIS HA . . 5.330 4.106 3.956 4.301 . 0 0 "[ . 1 . 2]" 1
439 1 22 LYS HA 1 22 LYS QD . . 4.440 3.278 1.989 4.425 . 0 0 "[ . 1 . 2]" 1
440 1 22 LYS HA 1 22 LYS QE . . 4.830 4.087 2.028 4.637 . 0 0 "[ . 1 . 2]" 1
441 1 43 PRO HB2 1 48 ILE H . . 4.420 2.515 2.371 2.659 . 0 0 "[ . 1 . 2]" 1
442 1 43 PRO HA 1 49 TYR QD . . 4.450 3.928 3.838 4.002 . 0 0 "[ . 1 . 2]" 1
443 1 17 GLN HB3 1 50 SER HA . . 5.380 4.410 3.819 5.128 . 0 0 "[ . 1 . 2]" 1
444 1 66 GLU HG3 1 67 PRO HA . . 4.950 4.407 4.266 4.682 . 0 0 "[ . 1 . 2]" 1
445 1 66 GLU HG2 1 67 PRO HA . . 4.950 4.584 4.273 4.686 . 0 0 "[ . 1 . 2]" 1
446 1 51 GLN H 1 51 GLN HG2 . . 4.880 4.271 2.833 4.791 . 0 0 "[ . 1 . 2]" 1
447 1 48 ILE HA 1 49 TYR HA . . 5.120 4.373 4.365 4.397 . 0 0 "[ . 1 . 2]" 1
448 1 43 PRO HB2 1 49 TYR HA . . 5.150 4.643 4.450 4.769 . 0 0 "[ . 1 . 2]" 1
449 1 18 ASN HA 1 19 SER HA . . 5.120 4.585 4.362 4.886 . 0 0 "[ . 1 . 2]" 1
450 1 19 SER HA 1 20 HIS HA . . 5.500 4.396 4.338 4.461 . 0 0 "[ . 1 . 2]" 1
451 1 39 CYS HB2 1 54 PRO HA . . 4.760 2.511 2.296 2.614 . 0 0 "[ . 1 . 2]" 1
452 1 4 CYS QB 1 48 ILE MG . . 5.500 4.782 4.507 5.336 . 0 0 "[ . 1 . 2]" 1
453 1 41 VAL HA 1 54 PRO HB3 . . 5.490 5.351 5.130 5.501 0.011 5 0 "[ . 1 . 2]" 1
454 1 53 CYS HB2 1 54 PRO HG2 . . 5.490 5.379 5.356 5.387 . 0 0 "[ . 1 . 2]" 1
455 1 33 GLY HA2 1 53 CYS HB2 . . 5.020 3.902 3.738 4.074 . 0 0 "[ . 1 . 2]" 1
456 1 4 CYS QB 1 27 PRO HB2 . . 4.780 3.019 2.370 3.499 . 0 0 "[ . 1 . 2]" 1
457 1 8 GLN HA 1 8 GLN HG2 . . 3.950 2.774 2.715 2.858 . 0 0 "[ . 1 . 2]" 1
458 1 3 THR HB 1 8 GLN HG3 . . 4.830 4.555 4.026 4.827 . 0 0 "[ . 1 . 2]" 1
459 1 3 THR MG 1 8 GLN HG3 . . 4.160 2.472 2.020 2.824 . 0 0 "[ . 1 . 2]" 1
460 1 7 LYS QB 1 8 GLN HA . . 4.610 4.362 4.215 4.604 . 0 0 "[ . 1 . 2]" 1
461 1 2 VAL HB 1 9 CYS HB2 . . 4.990 3.720 2.796 4.817 . 0 0 "[ . 1 . 2]" 1
462 1 10 LYS HG3 1 11 PRO HD3 . . 4.800 4.329 3.184 4.939 0.139 9 0 "[ . 1 . 2]" 1
463 1 10 LYS HA 1 11 PRO HG2 . . 4.730 4.604 4.601 4.609 . 0 0 "[ . 1 . 2]" 1
464 1 10 LYS HA 1 11 PRO HG3 . . 4.730 4.544 4.541 4.547 . 0 0 "[ . 1 . 2]" 1
465 1 15 CYS H 1 15 CYS HB3 . . 4.130 3.657 3.647 3.677 . 0 0 "[ . 1 . 2]" 1
466 1 15 CYS H 1 15 CYS HB2 . . 4.180 2.615 2.550 2.636 . 0 0 "[ . 1 . 2]" 1
467 1 16 VAL HB 1 28 ARG H . . 4.570 4.444 4.324 4.568 . 0 0 "[ . 1 . 2]" 1
468 1 17 GLN HA 1 17 GLN HG2 . . 3.880 3.031 2.274 3.741 . 0 0 "[ . 1 . 2]" 1
469 1 17 GLN H 1 17 GLN HG2 . . 4.870 4.344 3.632 4.803 . 0 0 "[ . 1 . 2]" 1
470 1 17 GLN HB3 1 48 ILE MG . . 3.740 3.476 2.743 3.740 . 1 0 "[ . 1 . 2]" 1
471 1 17 GLN HG3 1 48 ILE MG . . 4.440 3.672 2.283 4.449 0.009 19 0 "[ . 1 . 2]" 1
472 1 17 GLN HG3 1 48 ILE MD . . 5.500 3.945 2.047 5.524 0.024 5 0 "[ . 1 . 2]" 1
473 1 30 HIS HB3 1 31 PRO HD2 . . 4.810 2.853 2.811 2.899 . 0 0 "[ . 1 . 2]" 1
474 1 12 ASN HA 1 32 LEU HB3 . . 5.500 5.329 5.108 5.505 0.005 4 0 "[ . 1 . 2]" 1
475 1 32 LEU MD2 1 55 CYS HA . . 3.940 3.861 3.746 3.933 . 0 0 "[ . 1 . 2]" 1
476 1 32 LEU MD2 1 33 GLY HA3 . . 5.150 4.819 4.719 4.920 . 0 0 "[ . 1 . 2]" 1
477 1 34 LYS HG2 1 35 LEU H . . 4.320 4.080 3.894 4.241 . 0 0 "[ . 1 . 2]" 1
478 1 34 LYS H 1 34 LYS QD . . 4.810 4.182 3.873 4.322 . 0 0 "[ . 1 . 2]" 1
479 1 42 GLU HB3 1 43 PRO HD2 . . 3.970 2.130 1.975 3.508 . 0 0 "[ . 1 . 2]" 1
480 1 42 GLU HB2 1 43 PRO HD2 . . 3.970 3.432 1.949 3.600 . 0 0 "[ . 1 . 2]" 1
481 1 42 GLU QG 1 43 PRO HD2 . . 3.770 3.068 2.935 3.598 . 0 0 "[ . 1 . 2]" 1
482 1 44 ASN HB3 1 45 GLU QB . . 4.770 4.365 4.312 4.445 . 0 0 "[ . 1 . 2]" 1
483 1 43 PRO HB3 1 49 TYR HA . . 4.780 3.949 3.757 4.146 . 0 0 "[ . 1 . 2]" 1
484 1 54 PRO HA 1 55 CYS HA . . 4.830 4.316 4.312 4.321 . 0 0 "[ . 1 . 2]" 1
485 1 55 CYS HA 1 56 GLY HA3 . . 4.530 4.355 4.338 4.365 . 0 0 "[ . 1 . 2]" 1
486 1 53 CYS HB3 1 54 PRO HG2 . . 4.330 3.672 3.665 3.687 . 0 0 "[ . 1 . 2]" 1
487 1 53 CYS HB3 1 54 PRO HG3 . . 4.830 4.598 4.593 4.602 . 0 0 "[ . 1 . 2]" 1
488 1 53 CYS HA 1 54 PRO HG2 . . 4.820 4.592 4.572 4.602 . 0 0 "[ . 1 . 2]" 1
489 1 53 CYS HA 1 54 PRO HG3 . . 4.730 4.533 4.516 4.540 . 0 0 "[ . 1 . 2]" 1
490 1 55 CYS HB3 1 59 LEU MD2 . . 4.890 4.768 4.741 4.787 . 0 0 "[ . 1 . 2]" 1
491 1 32 LEU MD1 1 56 GLY H . . 4.300 3.261 3.197 3.377 . 0 0 "[ . 1 . 2]" 1
492 1 56 GLY HA3 1 59 LEU MD1 . . 5.500 5.508 5.502 5.521 0.021 2 0 "[ . 1 . 2]" 1
493 1 57 GLU HG3 1 58 GLY H . . 4.520 4.014 3.950 4.411 . 0 0 "[ . 1 . 2]" 1
494 1 59 LEU MD2 1 72 CYS HB2 . . 4.050 3.811 3.656 3.929 . 0 0 "[ . 1 . 2]" 1
495 1 32 LEU MD2 1 57 GLU QB . . 5.500 5.027 4.880 5.099 . 0 0 "[ . 1 . 2]" 1
496 1 57 GLU QB 1 59 LEU MD2 . . 5.500 5.006 4.908 5.124 . 0 0 "[ . 1 . 2]" 1
497 1 34 LYS HG3 1 59 LEU MD2 . . 5.500 5.228 5.149 5.316 . 0 0 "[ . 1 . 2]" 1
498 1 60 SER HB3 1 75 GLU QG . . 4.060 3.476 3.138 4.063 0.003 2 0 "[ . 1 . 2]" 1
499 1 63 LYS HD3 1 68 ASN HA . . 5.050 4.632 3.418 5.042 . 0 0 "[ . 1 . 2]" 1
500 1 65 GLY HA3 1 69 LYS HB2 . . 4.040 3.222 2.865 3.533 . 0 0 "[ . 1 . 2]" 1
501 1 70 LEU MD1 1 71 ARG H . . 5.070 3.917 3.309 4.730 . 0 0 "[ . 1 . 2]" 1
502 1 60 SER HB3 1 75 GLU HA . . 4.340 4.037 3.779 4.196 . 0 0 "[ . 1 . 2]" 1
503 1 41 VAL MG2 1 42 GLU HA . . 5.500 5.521 5.512 5.530 0.030 3 0 "[ . 1 . 2]" 1
504 1 68 ASN HA 1 69 LYS HB2 . . 5.500 5.096 4.880 5.312 . 0 0 "[ . 1 . 2]" 1
505 1 7 LYS H 1 7 LYS QB . . 2.990 2.570 2.188 3.009 0.019 13 0 "[ . 1 . 2]" 1
506 1 8 GLN H 1 8 GLN QB . . 2.790 2.208 2.156 2.263 . 0 0 "[ . 1 . 2]" 1
507 1 9 CYS H 1 9 CYS HB2 . . 3.650 2.563 2.414 2.720 . 0 0 "[ . 1 . 2]" 1
508 1 9 CYS H 1 9 CYS HB3 . . 3.730 3.655 3.570 3.723 . 0 0 "[ . 1 . 2]" 1
509 1 13 SER H 1 13 SER HB2 . . 3.980 3.333 2.705 3.926 . 0 0 "[ . 1 . 2]" 1
510 1 13 SER H 1 13 SER HB3 . . 3.980 3.523 2.702 3.930 . 0 0 "[ . 1 . 2]" 1
511 1 18 ASN H 1 18 ASN HB2 . . 3.900 2.862 2.517 3.802 . 0 0 "[ . 1 . 2]" 1
512 1 18 ASN H 1 18 ASN HB3 . . 3.900 3.684 3.037 3.888 . 0 0 "[ . 1 . 2]" 1
513 1 19 SER H 1 19 SER HB2 . . 3.620 3.229 2.255 3.620 0.000 20 0 "[ . 1 . 2]" 1
514 1 24 LYS H 1 24 LYS HB2 . . 3.710 2.553 2.432 3.671 . 0 0 "[ . 1 . 2]" 1
515 1 24 LYS H 1 24 LYS HB3 . . 3.710 3.630 3.200 3.711 0.001 20 0 "[ . 1 . 2]" 1
516 1 25 ASP H 1 25 ASP HB2 . . 3.780 3.132 2.149 3.614 . 0 0 "[ . 1 . 2]" 1
517 1 25 ASP H 1 25 ASP HB3 . . 3.780 3.048 2.643 3.610 . 0 0 "[ . 1 . 2]" 1
518 1 27 PRO HA 1 28 ARG H . . 3.420 2.379 2.366 2.387 . 0 0 "[ . 1 . 2]" 1
519 1 28 ARG H 1 28 ARG HG2 . . 4.980 4.542 2.857 4.969 . 0 0 "[ . 1 . 2]" 1
520 1 29 CYS H 1 29 CYS HB2 . . 3.780 2.925 2.363 3.685 . 0 0 "[ . 1 . 2]" 1
521 1 29 CYS H 1 29 CYS HB3 . . 3.780 3.448 2.899 3.711 . 0 0 "[ . 1 . 2]" 1
522 1 32 LEU H 1 32 LEU HB3 . . 3.620 3.544 3.528 3.560 . 0 0 "[ . 1 . 2]" 1
523 1 34 LYS H 1 34 LYS HB2 . . 3.790 3.729 3.693 3.767 . 0 0 "[ . 1 . 2]" 1
524 1 34 LYS H 1 34 LYS HB3 . . 3.430 2.832 2.707 2.938 . 0 0 "[ . 1 . 2]" 1
525 1 35 LEU H 1 35 LEU HB2 . . 3.230 2.728 2.564 2.797 . 0 0 "[ . 1 . 2]" 1
526 1 34 LYS HG3 1 35 LEU H . . 2.990 2.796 2.590 2.991 0.001 13 0 "[ . 1 . 2]" 1
527 1 35 LEU H 1 35 LEU HB3 . . 3.230 2.333 2.270 2.483 . 0 0 "[ . 1 . 2]" 1
528 1 36 ASN H 1 36 ASN HA . . 2.890 2.275 2.273 2.278 . 0 0 "[ . 1 . 2]" 1
529 1 36 ASN H 1 72 CYS HB2 . . 3.770 3.639 3.317 3.782 0.012 2 0 "[ . 1 . 2]" 1
530 1 39 CYS H 1 39 CYS HB3 . . 4.070 3.172 3.078 3.297 . 0 0 "[ . 1 . 2]" 1
531 1 40 GLU H 1 40 GLU HB2 . . 3.670 3.059 2.638 3.317 . 0 0 "[ . 1 . 2]" 1
532 1 40 GLU H 1 40 GLU HB3 . . 3.670 2.760 2.559 3.165 . 0 0 "[ . 1 . 2]" 1
533 1 44 ASN H 1 44 ASN HB2 . . 3.640 2.828 2.815 2.852 . 0 0 "[ . 1 . 2]" 1
534 1 44 ASN H 1 44 ASN HB3 . . 3.640 3.573 3.568 3.578 . 0 0 "[ . 1 . 2]" 1
535 1 45 GLU H 1 45 GLU QB . . 3.020 2.482 2.397 2.650 . 0 0 "[ . 1 . 2]" 1
536 1 44 ASN HB3 1 46 ASN H . . 4.140 3.473 3.422 3.563 . 0 0 "[ . 1 . 2]" 1
537 1 46 ASN H 1 46 ASN HB3 . . 3.890 3.593 3.528 3.660 . 0 0 "[ . 1 . 2]" 1
538 1 48 ILE H 1 48 ILE HB . . 3.210 2.741 2.652 2.815 . 0 0 "[ . 1 . 2]" 1
539 1 49 TYR H 1 49 TYR HB3 . . 3.880 3.622 3.601 3.657 . 0 0 "[ . 1 . 2]" 1
540 1 49 TYR H 1 49 TYR HB2 . . 3.610 2.385 2.353 2.446 . 0 0 "[ . 1 . 2]" 1
541 1 50 SER H 1 50 SER HB2 . . 3.690 2.221 2.202 2.243 . 0 0 "[ . 1 . 2]" 1
542 1 50 SER H 1 50 SER HB3 . . 3.690 3.440 3.405 3.479 . 0 0 "[ . 1 . 2]" 1
543 1 52 HIS H 1 52 HIS HB2 . . 3.910 2.857 2.202 3.597 . 0 0 "[ . 1 . 2]" 1
544 1 55 CYS H 1 55 CYS HB3 . . 3.670 3.587 3.578 3.593 . 0 0 "[ . 1 . 2]" 1
545 1 55 CYS H 1 55 CYS HB2 . . 2.840 2.427 2.380 2.481 . 0 0 "[ . 1 . 2]" 1
546 1 57 GLU H 1 57 GLU QB . . 2.930 2.938 2.928 2.949 0.019 6 0 "[ . 1 . 2]" 1
547 1 59 LEU H 1 59 LEU HB2 . . 3.050 2.585 2.544 2.630 . 0 0 "[ . 1 . 2]" 1
548 1 60 SER HA 1 61 CYS H . . 3.280 2.139 2.137 2.150 . 0 0 "[ . 1 . 2]" 1
549 1 61 CYS H 1 61 CYS HB2 . . 3.590 2.134 2.063 2.206 . 0 0 "[ . 1 . 2]" 1
550 1 61 CYS H 1 61 CYS HB3 . . 3.590 3.411 3.155 3.507 . 0 0 "[ . 1 . 2]" 1
551 1 62 THR H 1 62 THR HB . . 3.170 3.030 2.951 3.119 . 0 0 "[ . 1 . 2]" 1
552 1 63 LYS H 1 63 LYS HB2 . . 3.130 2.484 2.211 2.764 . 0 0 "[ . 1 . 2]" 1
553 1 63 LYS H 1 63 LYS HB3 . . 3.130 2.620 2.352 2.903 . 0 0 "[ . 1 . 2]" 1
554 1 64 VAL H 1 64 VAL HB . . 4.190 3.778 3.717 3.828 . 0 0 "[ . 1 . 2]" 1
555 1 68 ASN H 1 68 ASN HB2 . . 4.090 2.953 2.548 3.696 . 0 0 "[ . 1 . 2]" 1
556 1 68 ASN H 1 68 ASN HB3 . . 4.090 3.012 2.690 3.859 . 0 0 "[ . 1 . 2]" 1
557 1 69 LYS H 1 69 LYS HB3 . . 3.100 2.562 2.421 2.753 . 0 0 "[ . 1 . 2]" 1
558 1 70 LEU H 1 70 LEU HB3 . . 3.610 3.324 2.976 3.573 . 0 0 "[ . 1 . 2]" 1
559 1 70 LEU HG 1 71 ARG H . . 4.360 3.354 2.798 3.909 . 0 0 "[ . 1 . 2]" 1
560 1 71 ARG HA 1 72 CYS H . . 2.830 2.306 2.241 2.482 . 0 0 "[ . 1 . 2]" 1
561 1 72 CYS H 1 72 CYS HB2 . . 3.140 2.134 2.117 2.171 . 0 0 "[ . 1 . 2]" 1
562 1 72 CYS H 1 72 CYS HB3 . . 3.520 3.436 3.406 3.483 . 0 0 "[ . 1 . 2]" 1
563 1 73 GLN H 1 73 GLN HB2 . . 3.390 3.157 3.070 3.241 . 0 0 "[ . 1 . 2]" 1
564 1 73 GLN H 1 73 GLN HB3 . . 3.510 2.967 2.828 3.080 . 0 0 "[ . 1 . 2]" 1
565 1 74 GLU HA 1 75 GLU H . . 2.420 2.140 2.139 2.141 . 0 0 "[ . 1 . 2]" 1
566 1 75 GLU H 1 75 GLU HB2 . . 3.140 2.254 2.218 2.467 . 0 0 "[ . 1 . 2]" 1
567 1 75 GLU H 1 75 GLU HB3 . . 3.140 2.854 2.654 2.887 . 0 0 "[ . 1 . 2]" 1
568 1 3 THR H 1 3 THR HB . . 3.380 2.898 2.792 3.050 . 0 0 "[ . 1 . 2]" 1
569 1 2 VAL HA 1 3 THR H . . 2.750 2.199 2.157 2.235 . 0 0 "[ . 1 . 2]" 1
570 1 3 THR MG 1 7 LYS H . . 3.680 3.241 2.643 3.681 0.001 12 0 "[ . 1 . 2]" 1
571 1 7 LYS H 1 7 LYS QG . . 3.800 3.331 1.910 3.714 . 0 0 "[ . 1 . 2]" 1
572 1 4 CYS QB 1 7 LYS H . . 4.840 4.656 4.384 4.841 0.001 13 0 "[ . 1 . 2]" 1
573 1 5 GLY HA3 1 7 LYS H . . 4.730 3.764 3.444 4.126 . 0 0 "[ . 1 . 2]" 1
574 1 7 LYS QG 1 8 GLN H . . 4.120 3.799 2.853 4.120 0.000 6 0 "[ . 1 . 2]" 1
575 1 7 LYS QB 1 8 GLN H . . 3.300 2.894 2.399 3.301 0.001 10 0 "[ . 1 . 2]" 1
576 1 8 GLN H 1 8 GLN HG2 . . 4.500 4.376 4.241 4.490 . 0 0 "[ . 1 . 2]" 1
577 1 7 LYS HA 1 8 GLN H . . 2.660 2.249 2.179 2.404 . 0 0 "[ . 1 . 2]" 1
578 1 8 GLN HA 1 9 CYS H . . 2.760 2.237 2.170 2.323 . 0 0 "[ . 1 . 2]" 1
579 1 8 GLN HG2 1 9 CYS H . . 4.010 3.745 3.533 3.977 . 0 0 "[ . 1 . 2]" 1
580 1 8 GLN QB 1 9 CYS H . . 3.430 2.921 2.668 3.170 . 0 0 "[ . 1 . 2]" 1
581 1 10 LYS H 1 10 LYS HB2 . . 3.800 2.166 2.111 2.250 . 0 0 "[ . 1 . 2]" 1
582 1 10 LYS H 1 10 LYS HB3 . . 3.800 3.466 3.352 3.530 . 0 0 "[ . 1 . 2]" 1
583 1 10 LYS H 1 10 LYS HG2 . . 4.170 3.951 2.704 4.162 . 0 0 "[ . 1 . 2]" 1
584 1 9 CYS HB3 1 10 LYS H . . 3.500 2.311 2.148 2.601 . 0 0 "[ . 1 . 2]" 1
585 1 10 LYS H 1 11 PRO HD2 . . 4.920 4.726 4.712 4.742 . 0 0 "[ . 1 . 2]" 1
586 1 9 CYS HB2 1 10 LYS H . . 3.780 3.727 3.601 3.786 0.006 6 0 "[ . 1 . 2]" 1
587 1 9 CYS HA 1 10 LYS H . . 2.870 2.481 2.332 2.575 . 0 0 "[ . 1 . 2]" 1
588 1 11 PRO HB2 1 12 ASN H . . 4.120 2.505 2.368 2.712 . 0 0 "[ . 1 . 2]" 1
589 1 13 SER H 1 32 LEU MD2 . . 4.760 4.518 4.356 4.660 . 0 0 "[ . 1 . 2]" 1
590 1 13 SER H 1 32 LEU HG . . 4.160 3.949 3.795 4.033 . 0 0 "[ . 1 . 2]" 1
591 1 12 ASN HB3 1 13 SER H . . 4.590 4.469 4.382 4.532 . 0 0 "[ . 1 . 2]" 1
592 1 12 ASN HA 1 13 SER H . . 2.980 2.911 2.813 2.984 0.004 7 0 "[ . 1 . 2]" 1
593 1 14 CYS H 1 32 LEU MD2 . . 4.210 3.632 3.546 3.850 . 0 0 "[ . 1 . 2]" 1
594 1 14 CYS H 1 32 LEU HG . . 4.700 3.940 3.840 4.059 . 0 0 "[ . 1 . 2]" 1
595 1 13 SER HB3 1 14 CYS H . . 4.410 3.880 3.230 4.429 0.019 13 0 "[ . 1 . 2]" 1
596 1 13 SER HA 1 14 CYS H . . 3.130 2.142 2.137 2.165 . 0 0 "[ . 1 . 2]" 1
597 1 14 CYS H 1 15 CYS H . . 4.730 4.566 4.542 4.580 . 0 0 "[ . 1 . 2]" 1
598 1 14 CYS H 1 32 LEU H . . 4.760 4.587 4.338 4.770 0.010 6 0 "[ . 1 . 2]" 1
599 1 12 ASN H 1 13 SER H . . 3.250 2.660 2.608 2.734 . 0 0 "[ . 1 . 2]" 1
600 1 13 SER H 1 14 CYS H . . 4.450 4.147 4.080 4.260 . 0 0 "[ . 1 . 2]" 1
601 1 4 CYS H 1 7 LYS H . . 3.910 3.388 3.141 3.879 . 0 0 "[ . 1 . 2]" 1
602 1 6 GLY H 1 7 LYS H . . 3.730 2.633 2.465 2.742 . 0 0 "[ . 1 . 2]" 1
603 1 17 GLN HA 1 18 ASN H . . 3.250 2.156 2.142 2.192 . 0 0 "[ . 1 . 2]" 1
604 1 17 GLN HB2 1 18 ASN H . . 4.510 4.386 4.148 4.477 . 0 0 "[ . 1 . 2]" 1
605 1 49 TYR H 1 49 TYR QD . . 3.490 2.646 2.477 2.950 . 0 0 "[ . 1 . 2]" 1
606 1 62 THR H 1 73 GLN H . . 4.250 4.029 3.844 4.197 . 0 0 "[ . 1 . 2]" 1
607 1 14 CYS H 1 30 HIS H . . 4.250 3.760 3.490 3.979 . 0 0 "[ . 1 . 2]" 1
608 1 50 SER H 1 52 HIS H . . 4.440 4.455 4.443 4.466 0.026 13 0 "[ . 1 . 2]" 1
609 1 49 TYR QD 1 50 SER H . . 4.560 3.284 3.132 3.365 . 0 0 "[ . 1 . 2]" 1
610 1 62 THR H 1 71 ARG H . . 3.600 2.858 2.527 3.106 . 0 0 "[ . 1 . 2]" 1
611 1 70 LEU H 1 71 ARG H . . 4.680 4.572 4.500 4.616 . 0 0 "[ . 1 . 2]" 1
612 1 74 GLU H 1 75 GLU H . . 4.540 4.468 4.461 4.492 . 0 0 "[ . 1 . 2]" 1
613 1 50 SER H 1 51 GLN H . . 3.890 2.812 2.784 2.850 . 0 0 "[ . 1 . 2]" 1
614 1 13 SER HA 1 30 HIS H . . 4.970 4.356 4.230 4.464 . 0 0 "[ . 1 . 2]" 1
615 1 15 CYS HA 1 30 HIS H . . 5.290 3.975 3.701 4.427 . 0 0 "[ . 1 . 2]" 1
616 1 29 CYS HA 1 30 HIS H . . 3.080 2.152 2.138 2.165 . 0 0 "[ . 1 . 2]" 1
617 1 72 CYS HA 1 73 GLN H . . 2.800 2.188 2.155 2.216 . 0 0 "[ . 1 . 2]" 1
618 1 62 THR H 1 72 CYS HA . . 3.770 3.505 3.344 3.770 . 0 0 "[ . 1 . 2]" 1
619 1 69 LYS HA 1 70 LEU H . . 2.690 2.324 2.178 2.362 . 0 0 "[ . 1 . 2]" 1
620 1 61 CYS HA 1 71 ARG H . . 4.300 3.945 3.480 4.211 . 0 0 "[ . 1 . 2]" 1
621 1 63 LYS HA 1 71 ARG H . . 4.510 3.493 3.286 3.708 . 0 0 "[ . 1 . 2]" 1
622 1 50 SER HB2 1 51 GLN H . . 3.870 2.426 2.346 2.489 . 0 0 "[ . 1 . 2]" 1
623 1 73 GLN HA 1 74 GLU H . . 2.980 2.154 2.145 2.189 . 0 0 "[ . 1 . 2]" 1
624 1 63 LYS HA 1 64 VAL H . . 3.170 2.146 2.141 2.153 . 0 0 "[ . 1 . 2]" 1
625 1 64 VAL H 1 70 LEU HA . . 3.690 3.092 2.499 3.592 . 0 0 "[ . 1 . 2]" 1
626 1 62 THR HB 1 71 ARG H . . 5.500 5.328 5.139 5.504 0.004 2 0 "[ . 1 . 2]" 1
627 1 49 TYR HB3 1 50 SER H . . 3.640 1.946 1.942 1.958 . 0 0 "[ . 1 . 2]" 1
628 1 49 TYR HB2 1 50 SER H . . 3.920 3.350 3.326 3.397 . 0 0 "[ . 1 . 2]" 1
629 1 30 HIS H 1 30 HIS HB2 . . 3.920 2.501 2.369 2.634 . 0 0 "[ . 1 . 2]" 1
630 1 30 HIS H 1 30 HIS HB3 . . 3.920 3.322 3.272 3.378 . 0 0 "[ . 1 . 2]" 1
631 1 72 CYS HB3 1 73 GLN H . . 4.050 3.236 3.080 3.432 . 0 0 "[ . 1 . 2]" 1
632 1 72 CYS HB2 1 73 GLN H . . 4.430 4.331 4.244 4.431 0.001 19 0 "[ . 1 . 2]" 1
633 1 60 SER HB3 1 73 GLN H . . 4.380 4.097 3.933 4.214 . 0 0 "[ . 1 . 2]" 1
634 1 62 THR HB 1 73 GLN H . . 4.900 4.793 4.594 4.905 0.005 7 0 "[ . 1 . 2]" 1
635 1 70 LEU H 1 70 LEU HB2 . . 3.610 2.172 2.091 2.307 . 0 0 "[ . 1 . 2]" 1
636 1 63 LYS HG2 1 64 VAL H . . 4.080 3.321 2.904 4.022 . 0 0 "[ . 1 . 2]" 1
637 1 62 THR H 1 62 THR MG . . 3.750 2.155 2.065 2.252 . 0 0 "[ . 1 . 2]" 1
638 1 62 THR H 1 71 ARG HB3 . . 5.500 5.063 4.428 5.453 . 0 0 "[ . 1 . 2]" 1
639 1 62 THR H 1 70 LEU HG . . 5.500 3.917 3.355 5.065 . 0 0 "[ . 1 . 2]" 1
640 1 62 THR H 1 71 ARG HB2 . . 5.500 4.676 4.303 5.295 . 0 0 "[ . 1 . 2]" 1
641 1 62 THR MG 1 63 LYS H . . 3.740 3.700 3.553 3.743 0.003 9 0 "[ . 1 . 2]" 1
642 1 63 LYS H 1 63 LYS HG2 . . 4.840 4.490 4.312 4.675 . 0 0 "[ . 1 . 2]" 1
643 1 16 VAL MG2 1 49 TYR H . . 5.270 4.995 4.802 5.158 . 0 0 "[ . 1 . 2]" 1
644 1 48 ILE MG 1 49 TYR H . . 3.270 2.091 1.922 2.180 . 0 0 "[ . 1 . 2]" 1
645 1 48 ILE HB 1 49 TYR H . . 3.880 3.750 3.449 3.887 0.007 13 0 "[ . 1 . 2]" 1
646 1 59 LEU MD2 1 73 GLN H . . 4.100 3.399 3.192 3.639 . 0 0 "[ . 1 . 2]" 1
647 1 59 LEU HB3 1 73 GLN H . . 4.230 2.543 2.399 2.821 . 0 0 "[ . 1 . 2]" 1
648 1 59 LEU HB3 1 61 CYS H . . 5.500 5.260 5.127 5.460 . 0 0 "[ . 1 . 2]" 1
649 1 64 VAL MG1 1 71 ARG H . . 4.290 3.429 2.786 4.178 . 0 0 "[ . 1 . 2]" 1
650 1 59 LEU MD2 1 74 GLU H . . 3.260 2.694 2.471 2.870 . 0 0 "[ . 1 . 2]" 1
651 1 35 LEU MD1 1 74 GLU H . . 2.910 2.061 1.922 2.222 . 0 0 "[ . 1 . 2]" 1
652 1 63 LYS HG3 1 64 VAL H . . 4.080 3.279 2.832 3.749 . 0 0 "[ . 1 . 2]" 1
653 1 48 ILE HA 1 49 TYR H . . 3.170 2.267 2.238 2.328 . 0 0 "[ . 1 . 2]" 1
654 1 34 LYS H 1 37 ASN QD . . 4.190 4.054 2.834 4.197 0.007 2 0 "[ . 1 . 2]" 1
655 1 60 SER H 1 75 GLU H . . 4.090 4.061 3.965 4.091 0.001 14 0 "[ . 1 . 2]" 1
656 1 60 SER H 1 74 GLU H . . 4.880 4.584 4.480 4.752 . 0 0 "[ . 1 . 2]" 1
657 1 41 VAL H 1 42 GLU H . . 3.080 3.041 2.909 3.084 0.004 19 0 "[ . 1 . 2]" 1
658 1 44 ASN H 1 44 ASN HD21 . . 4.510 3.535 3.258 3.595 . 0 0 "[ . 1 . 2]" 1
659 1 44 ASN H 1 48 ILE H . . 3.880 2.573 2.438 2.626 . 0 0 "[ . 1 . 2]" 1
660 1 44 ASN H 1 45 GLU H . . 4.590 4.458 4.445 4.466 . 0 0 "[ . 1 . 2]" 1
661 1 44 ASN H 1 44 ASN HD22 . . 4.670 3.636 3.463 3.677 . 0 0 "[ . 1 . 2]" 1
662 1 45 GLU H 1 46 ASN H . . 3.490 2.578 2.562 2.601 . 0 0 "[ . 1 . 2]" 1
663 1 66 GLU HA 1 68 ASN H . . 3.890 3.461 3.345 3.497 . 0 0 "[ . 1 . 2]" 1
664 1 67 PRO HB2 1 68 ASN H . . 4.450 2.967 2.927 3.098 . 0 0 "[ . 1 . 2]" 1
665 1 67 PRO HD2 1 68 ASN H . . 4.210 2.727 2.680 2.742 . 0 0 "[ . 1 . 2]" 1
666 1 24 LYS QG 1 25 ASP H . . 4.490 4.286 4.100 4.486 . 0 0 "[ . 1 . 2]" 1
667 1 24 LYS HA 1 25 ASP H . . 2.630 2.215 2.173 2.275 . 0 0 "[ . 1 . 2]" 1
668 1 33 GLY HA2 1 34 LYS H . . 2.980 2.293 2.224 2.347 . 0 0 "[ . 1 . 2]" 1
669 1 33 GLY HA3 1 34 LYS H . . 3.150 2.877 2.802 2.984 . 0 0 "[ . 1 . 2]" 1
670 1 34 LYS H 1 37 ASN HB2 . . 3.890 2.786 2.653 3.434 . 0 0 "[ . 1 . 2]" 1
671 1 34 LYS H 1 37 ASN HB3 . . 3.890 3.012 2.698 3.180 . 0 0 "[ . 1 . 2]" 1
672 1 34 LYS H 1 34 LYS HG3 . . 3.900 3.203 3.075 3.405 . 0 0 "[ . 1 . 2]" 1
673 1 34 LYS H 1 37 ASN HA . . 5.500 5.384 5.219 5.507 0.007 8 0 "[ . 1 . 2]" 1
674 1 59 LEU HA 1 75 GLU H . . 3.130 2.737 2.598 2.844 . 0 0 "[ . 1 . 2]" 1
675 1 60 SER HB3 1 75 GLU H . . 4.910 4.771 4.537 4.914 0.004 2 0 "[ . 1 . 2]" 1
676 1 75 GLU H 1 75 GLU QG . . 3.940 3.861 3.823 4.081 0.141 2 0 "[ . 1 . 2]" 1
677 1 75 GLU QG 1 76 SER H . . 3.680 2.301 1.949 2.800 . 0 0 "[ . 1 . 2]" 1
678 1 75 GLU HB3 1 76 SER H . . 4.240 3.460 3.339 3.597 . 0 0 "[ . 1 . 2]" 1
679 1 75 GLU HB2 1 76 SER H . . 4.240 4.102 3.968 4.188 . 0 0 "[ . 1 . 2]" 1
680 1 59 LEU MD2 1 75 GLU H . . 4.140 4.086 3.902 4.148 0.008 1 0 "[ . 1 . 2]" 1
681 1 59 LEU HB3 1 75 GLU H . . 5.220 4.970 4.887 5.099 . 0 0 "[ . 1 . 2]" 1
682 1 59 LEU HG 1 75 GLU H . . 5.350 5.314 5.045 5.353 0.003 3 0 "[ . 1 . 2]" 1
683 1 76 SER H 1 76 SER QB . . 3.240 2.521 2.187 2.884 . 0 0 "[ . 1 . 2]" 1
684 1 60 SER HB2 1 76 SER H . . 5.500 5.409 5.209 5.501 0.001 19 0 "[ . 1 . 2]" 1
685 1 75 GLU HA 1 76 SER H . . 2.400 2.309 2.255 2.354 . 0 0 "[ . 1 . 2]" 1
686 1 44 ASN HB2 1 45 GLU H . . 3.270 2.587 2.541 2.613 . 0 0 "[ . 1 . 2]" 1
687 1 44 ASN HB3 1 45 GLU H . . 3.270 2.191 2.171 2.224 . 0 0 "[ . 1 . 2]" 1
688 1 27 PRO HB2 1 28 ARG H . . 4.210 2.670 2.647 2.703 . 0 0 "[ . 1 . 2]" 1
689 1 59 LEU HB3 1 60 SER H . . 3.450 2.186 2.085 2.423 . 0 0 "[ . 1 . 2]" 1
690 1 59 LEU HG 1 60 SER H . . 4.870 4.699 4.650 4.816 . 0 0 "[ . 1 . 2]" 1
691 1 59 LEU HB2 1 60 SER H . . 3.790 3.286 3.176 3.453 . 0 0 "[ . 1 . 2]" 1
692 1 55 CYS HB3 1 60 SER H . . 4.470 4.021 3.810 4.166 . 0 0 "[ . 1 . 2]" 1
693 1 35 LEU MD1 1 36 ASN H . . 3.060 1.985 1.881 2.195 . 0 0 "[ . 1 . 2]" 1
694 1 36 ASN H 1 59 LEU MD2 . . 3.690 3.526 3.360 3.643 . 0 0 "[ . 1 . 2]" 1
695 1 35 LEU HG 1 36 ASN H . . 3.670 2.740 2.294 3.001 . 0 0 "[ . 1 . 2]" 1
696 1 36 ASN H 1 72 CYS HB3 . . 4.020 3.540 3.355 3.732 . 0 0 "[ . 1 . 2]" 1
697 1 35 LEU HA 1 36 ASN H . . 2.800 2.249 2.218 2.291 . 0 0 "[ . 1 . 2]" 1
698 1 36 ASN H 1 72 CYS HA . . 5.180 4.970 4.682 5.191 0.011 8 0 "[ . 1 . 2]" 1
699 1 58 GLY H 1 59 LEU MD1 . . 4.870 4.598 4.526 4.755 . 0 0 "[ . 1 . 2]" 1
700 1 57 GLU HG2 1 58 GLY H . . 4.520 4.238 4.171 4.421 . 0 0 "[ . 1 . 2]" 1
701 1 58 GLY H 1 59 LEU HG . . 4.740 4.146 4.059 4.328 . 0 0 "[ . 1 . 2]" 1
702 1 43 PRO HB2 1 44 ASN H . . 3.210 2.054 2.014 2.067 . 0 0 "[ . 1 . 2]" 1
703 1 43 PRO QG 1 44 ASN H . . 3.870 3.737 3.702 3.748 . 0 0 "[ . 1 . 2]" 1
704 1 43 PRO HA 1 44 ASN H . . 3.050 2.648 2.641 2.668 . 0 0 "[ . 1 . 2]" 1
705 1 44 ASN H 1 49 TYR HA . . 4.200 4.116 3.959 4.214 0.014 5 0 "[ . 1 . 2]" 1
706 1 40 GLU HA 1 41 VAL H . . 2.940 2.248 2.220 2.329 . 0 0 "[ . 1 . 2]" 1
707 1 40 GLU HG2 1 41 VAL H . . 4.260 3.346 2.729 4.108 . 0 0 "[ . 1 . 2]" 1
708 1 58 GLY H 1 59 LEU H . . 2.990 2.232 2.191 2.344 . 0 0 "[ . 1 . 2]" 1
709 1 46 ASN H 1 48 ILE H . . 4.140 3.693 3.635 3.784 . 0 0 "[ . 1 . 2]" 1
710 1 68 ASN H 1 69 LYS H . . 3.550 3.076 2.711 3.524 . 0 0 "[ . 1 . 2]" 1
711 1 22 LYS H 1 24 LYS H . . 4.070 3.674 2.931 3.950 . 0 0 "[ . 1 . 2]" 1
712 1 29 CYS H 1 30 HIS H . . 4.780 4.406 4.204 4.482 . 0 0 "[ . 1 . 2]" 1
713 1 39 CYS H 1 72 CYS H . . 4.440 4.086 3.866 4.446 0.006 8 0 "[ . 1 . 2]" 1
714 1 45 GLU HA 1 46 ASN H . . 3.480 3.411 3.382 3.457 . 0 0 "[ . 1 . 2]" 1
715 1 31 PRO HA 1 32 LEU H . . 3.420 2.243 2.203 2.285 . 0 0 "[ . 1 . 2]" 1
716 1 13 SER HA 1 32 LEU H . . 3.550 3.306 2.988 3.503 . 0 0 "[ . 1 . 2]" 1
717 1 42 GLU H 1 43 PRO HD2 . . 4.950 4.803 4.801 4.810 . 0 0 "[ . 1 . 2]" 1
718 1 42 GLU H 1 42 GLU HB3 . . 3.990 3.720 3.111 3.807 . 0 0 "[ . 1 . 2]" 1
719 1 41 VAL HB 1 42 GLU H . . 2.880 2.061 2.007 2.143 . 0 0 "[ . 1 . 2]" 1
720 1 35 LEU H 1 59 LEU MD1 . . 3.090 2.925 2.854 3.029 . 0 0 "[ . 1 . 2]" 1
721 1 66 GLU H 1 69 LYS HB3 . . 3.970 3.451 2.881 3.983 0.013 16 0 "[ . 1 . 2]" 1
722 1 66 GLU H 1 66 GLU HG3 . . 3.540 2.392 2.103 2.777 . 0 0 "[ . 1 . 2]" 1
723 1 66 GLU H 1 66 GLU HB2 . . 3.910 3.627 3.183 3.823 . 0 0 "[ . 1 . 2]" 1
724 1 63 LYS QE 1 66 GLU H . . 5.500 4.850 4.293 5.493 . 0 0 "[ . 1 . 2]" 1
725 1 65 GLY HA3 1 66 GLU H . . 2.850 2.373 2.312 2.522 . 0 0 "[ . 1 . 2]" 1
726 1 65 GLY HA2 1 66 GLU H . . 2.850 2.776 2.604 2.851 0.001 18 0 "[ . 1 . 2]" 1
727 1 71 ARG HB2 1 72 CYS H . . 4.230 3.920 3.323 4.244 0.014 5 0 "[ . 1 . 2]" 1
728 1 71 ARG HB3 1 72 CYS H . . 4.230 2.865 2.312 3.526 . 0 0 "[ . 1 . 2]" 1
729 1 34 LYS HB2 1 35 LEU H . . 2.950 2.041 1.972 2.095 . 0 0 "[ . 1 . 2]" 1
730 1 34 LYS HA 1 35 LEU H . . 2.900 2.678 2.622 2.716 . 0 0 "[ . 1 . 2]" 1
731 1 24 LYS H 1 24 LYS QG . . 3.580 3.284 2.100 3.569 . 0 0 "[ . 1 . 2]" 1
732 1 23 GLY HA3 1 24 LYS H . . 3.450 3.345 3.216 3.403 . 0 0 "[ . 1 . 2]" 1
733 1 24 LYS H 1 25 ASP HA . . 4.730 4.671 4.533 4.729 . 0 0 "[ . 1 . 2]" 1
734 1 69 LYS H 1 69 LYS HG3 . . 4.760 4.462 4.347 4.596 . 0 0 "[ . 1 . 2]" 1
735 1 68 ASN HA 1 69 LYS H . . 2.960 2.587 2.385 2.756 . 0 0 "[ . 1 . 2]" 1
736 1 48 ILE H 1 48 ILE MG . . 4.070 3.892 3.858 3.912 . 0 0 "[ . 1 . 2]" 1
737 1 48 ILE H 1 48 ILE MD . . 4.120 3.914 3.060 4.050 . 0 0 "[ . 1 . 2]" 1
738 1 43 PRO HB3 1 48 ILE H . . 4.430 3.751 3.651 3.914 . 0 0 "[ . 1 . 2]" 1
739 1 46 ASN HB2 1 48 ILE H . . 4.510 3.473 3.296 3.617 . 0 0 "[ . 1 . 2]" 1
740 1 15 CYS HB2 1 48 ILE H . . 5.500 5.502 5.482 5.508 0.008 9 0 "[ . 1 . 2]" 1
741 1 59 LEU H 1 59 LEU MD1 . . 3.600 3.466 3.422 3.552 . 0 0 "[ . 1 . 2]" 1
742 1 59 LEU H 1 59 LEU HB3 . . 3.710 3.717 3.708 3.724 0.014 5 0 "[ . 1 . 2]" 1
743 1 59 LEU H 1 59 LEU HG . . 3.110 2.711 2.599 2.828 . 0 0 "[ . 1 . 2]" 1
744 1 55 CYS HB3 1 59 LEU H . . 4.090 2.952 2.831 3.065 . 0 0 "[ . 1 . 2]" 1
745 1 57 GLU HG2 1 59 LEU H . . 5.350 3.929 3.768 4.121 . 0 0 "[ . 1 . 2]" 1
746 1 57 GLU HG3 1 59 LEU H . . 5.350 3.798 3.704 4.172 . 0 0 "[ . 1 . 2]" 1
747 1 59 LEU H 1 74 GLU HA . . 4.950 4.825 4.568 4.952 0.002 2 0 "[ . 1 . 2]" 1
748 1 58 GLY HA2 1 59 LEU H . . 3.520 3.041 3.017 3.077 . 0 0 "[ . 1 . 2]" 1
749 1 32 LEU H 1 32 LEU MD1 . . 3.870 3.581 3.534 3.631 . 0 0 "[ . 1 . 2]" 1
750 1 32 LEU H 1 32 LEU MD2 . . 3.830 3.765 3.693 3.834 0.004 5 0 "[ . 1 . 2]" 1
751 1 31 PRO HB3 1 32 LEU H . . 4.080 3.711 3.628 3.801 . 0 0 "[ . 1 . 2]" 1
752 1 31 PRO HB2 1 32 LEU H . . 4.080 3.077 2.935 3.224 . 0 0 "[ . 1 . 2]" 1
753 1 12 ASN HB3 1 32 LEU H . . 4.780 3.756 3.545 4.045 . 0 0 "[ . 1 . 2]" 1
754 1 45 GLU HG3 1 46 ASN H . . 4.430 3.414 2.766 4.312 . 0 0 "[ . 1 . 2]" 1
755 1 45 GLU QB 1 46 ASN H . . 3.800 3.551 2.931 3.730 . 0 0 "[ . 1 . 2]" 1
756 1 44 ASN HB2 1 46 ASN H . . 4.140 2.258 2.230 2.318 . 0 0 "[ . 1 . 2]" 1
757 1 28 ARG HA 1 29 CYS H . . 3.180 2.482 2.383 2.521 . 0 0 "[ . 1 . 2]" 1
758 1 22 LYS HA 1 23 GLY H . . 3.520 3.455 2.988 3.519 . 0 0 "[ . 1 . 2]" 1
759 1 32 LEU HB3 1 33 GLY H . . 3.810 2.745 2.470 2.826 . 0 0 "[ . 1 . 2]" 1
760 1 32 LEU HB2 1 33 GLY H . . 4.040 4.007 3.815 4.054 0.014 7 0 "[ . 1 . 2]" 1
761 1 32 LEU MD2 1 33 GLY H . . 3.440 2.908 2.744 3.050 . 0 0 "[ . 1 . 2]" 1
762 1 22 LYS HB2 1 23 GLY H . . 4.420 3.552 2.748 4.423 0.003 4 0 "[ . 1 . 2]" 1
763 1 22 LYS HB3 1 23 GLY H . . 4.420 3.471 2.725 4.129 . 0 0 "[ . 1 . 2]" 1
764 1 43 PRO QG 1 47 GLY H . . 4.170 3.840 3.742 3.900 . 0 0 "[ . 1 . 2]" 1
765 1 43 PRO HB2 1 47 GLY H . . 3.980 3.070 3.033 3.110 . 0 0 "[ . 1 . 2]" 1
766 1 46 ASN HB3 1 47 GLY H . . 4.180 3.754 3.610 3.961 . 0 0 "[ . 1 . 2]" 1
767 1 46 ASN HB2 1 47 GLY H . . 4.180 2.992 2.926 3.069 . 0 0 "[ . 1 . 2]" 1
768 1 32 LEU HB3 1 56 GLY H . . 4.270 3.044 2.935 3.184 . 0 0 "[ . 1 . 2]" 1
769 1 56 GLY H 1 59 LEU MD1 . . 3.640 3.195 3.169 3.228 . 0 0 "[ . 1 . 2]" 1
770 1 56 GLY H 1 57 GLU QB . . 4.420 3.761 3.740 3.813 . 0 0 "[ . 1 . 2]" 1
771 1 56 GLY H 1 59 LEU HB2 . . 4.710 3.874 3.765 3.953 . 0 0 "[ . 1 . 2]" 1
772 1 55 CYS HB3 1 56 GLY H . . 3.660 3.317 3.179 3.380 . 0 0 "[ . 1 . 2]" 1
773 1 55 CYS HB2 1 56 GLY H . . 4.300 4.255 4.171 4.302 0.002 6 0 "[ . 1 . 2]" 1
774 1 55 CYS HA 1 56 GLY H . . 2.980 2.154 2.147 2.174 . 0 0 "[ . 1 . 2]" 1
775 1 54 PRO HA 1 55 CYS H . . 2.950 2.395 2.359 2.400 . 0 0 "[ . 1 . 2]" 1
776 1 54 PRO HB2 1 55 CYS H . . 3.080 2.627 2.617 2.724 . 0 0 "[ . 1 . 2]" 1
777 1 32 LEU MD2 1 55 CYS H . . 4.650 4.552 4.426 4.628 . 0 0 "[ . 1 . 2]" 1
778 1 51 GLN HB3 1 52 HIS H . . 3.940 2.885 2.175 3.435 . 0 0 "[ . 1 . 2]" 1
779 1 51 GLN HB2 1 52 HIS H . . 3.940 2.540 2.143 3.362 . 0 0 "[ . 1 . 2]" 1
780 1 25 ASP HA 1 26 SER H . . 2.900 2.175 2.138 2.221 . 0 0 "[ . 1 . 2]" 1
781 1 56 GLY HA3 1 57 GLU H . . 3.470 3.427 3.410 3.438 . 0 0 "[ . 1 . 2]" 1
782 1 32 LEU HB2 1 57 GLU H . . 5.500 5.329 5.144 5.501 0.001 5 0 "[ . 1 . 2]" 1
783 1 32 LEU MD1 1 57 GLU H . . 4.130 3.792 3.635 3.900 . 0 0 "[ . 1 . 2]" 1
784 1 57 GLU H 1 59 LEU MD1 . . 4.440 3.107 3.069 3.152 . 0 0 "[ . 1 . 2]" 1
785 1 32 LEU HB3 1 57 GLU H . . 4.670 4.330 4.200 4.521 . 0 0 "[ . 1 . 2]" 1
786 1 33 GLY H 1 34 LYS H . . 4.700 4.635 4.622 4.641 . 0 0 "[ . 1 . 2]" 1
787 1 32 LEU H 1 33 GLY H . . 4.930 4.641 4.635 4.645 . 0 0 "[ . 1 . 2]" 1
788 1 47 GLY H 1 48 ILE H . . 3.230 2.125 2.077 2.142 . 0 0 "[ . 1 . 2]" 1
789 1 46 ASN H 1 47 GLY H . . 3.020 2.183 2.138 2.278 . 0 0 "[ . 1 . 2]" 1
790 1 45 GLU H 1 47 GLY H . . 4.530 4.068 3.997 4.107 . 0 0 "[ . 1 . 2]" 1
791 1 56 GLY H 1 57 GLU H . . 3.720 1.918 1.897 1.962 . 0 0 "[ . 1 . 2]" 1
792 1 55 CYS H 1 56 GLY H . . 4.810 4.538 4.520 4.576 . 0 0 "[ . 1 . 2]" 1
793 1 36 ASN H 1 37 ASN H . . 3.190 2.698 2.641 2.758 . 0 0 "[ . 1 . 2]" 1
794 1 64 VAL H 1 65 GLY H . . 3.090 1.996 1.894 2.135 . 0 0 "[ . 1 . 2]" 1
795 1 65 GLY H 1 69 LYS H . . 4.140 3.724 3.324 3.954 . 0 0 "[ . 1 . 2]" 1
796 1 37 ASN H 1 37 ASN QD . . 3.630 3.359 2.594 3.562 . 0 0 "[ . 1 . 2]" 1
797 1 37 ASN H 1 72 CYS H . . 4.230 2.841 2.568 3.186 . 0 0 "[ . 1 . 2]" 1
798 1 30 HIS HD2 1 53 CYS H . . 4.580 4.592 4.580 4.602 0.022 6 0 "[ . 1 . 2]" 1
799 1 39 CYS H 1 40 GLU H . . 4.460 4.422 4.390 4.442 . 0 0 "[ . 1 . 2]" 1
800 1 40 GLU H 1 41 VAL H . . 4.690 4.436 4.407 4.463 . 0 0 "[ . 1 . 2]" 1
801 1 40 GLU H 1 55 CYS H . . 4.970 4.641 4.511 4.847 . 0 0 "[ . 1 . 2]" 1
802 1 18 ASN HB2 1 19 SER H . . 4.710 4.204 2.979 4.594 . 0 0 "[ . 1 . 2]" 1
803 1 18 ASN HA 1 19 SER H . . 3.550 2.615 2.138 3.464 . 0 0 "[ . 1 . 2]" 1
804 1 35 LEU HA 1 37 ASN H . . 3.620 3.456 3.232 3.623 0.003 15 0 "[ . 1 . 2]" 1
805 1 37 ASN H 1 72 CYS HB2 . . 3.230 2.507 2.244 2.716 . 0 0 "[ . 1 . 2]" 1
806 1 37 ASN H 1 72 CYS HB3 . . 3.730 3.679 3.585 3.733 0.003 2 0 "[ . 1 . 2]" 1
807 1 36 ASN HA 1 37 ASN H . . 3.440 2.895 2.809 3.024 . 0 0 "[ . 1 . 2]" 1
808 1 34 LYS HG2 1 37 ASN H . . 5.500 4.980 4.533 5.267 . 0 0 "[ . 1 . 2]" 1
809 1 35 LEU HG 1 37 ASN H . . 5.500 4.947 4.641 5.218 . 0 0 "[ . 1 . 2]" 1
810 1 35 LEU MD1 1 37 ASN H . . 4.210 4.207 4.145 4.251 0.041 2 0 "[ . 1 . 2]" 1
811 1 37 ASN H 1 59 LEU MD1 . . 4.620 4.526 4.320 4.623 0.003 13 0 "[ . 1 . 2]" 1
812 1 64 VAL MG2 1 65 GLY H . . 4.450 2.712 2.197 3.263 . 0 0 "[ . 1 . 2]" 1
813 1 64 VAL MG1 1 65 GLY H . . 4.450 4.127 3.956 4.324 . 0 0 "[ . 1 . 2]" 1
814 1 63 LYS HG2 1 65 GLY H . . 4.090 2.909 2.171 3.484 . 0 0 "[ . 1 . 2]" 1
815 1 63 LYS HB2 1 65 GLY H . . 5.310 5.015 4.602 5.295 . 0 0 "[ . 1 . 2]" 1
816 1 64 VAL HB 1 65 GLY H . . 4.580 4.177 3.914 4.432 . 0 0 "[ . 1 . 2]" 1
817 1 63 LYS QE 1 65 GLY H . . 4.590 3.960 3.332 4.311 . 0 0 "[ . 1 . 2]" 1
818 1 32 LEU MD2 1 53 CYS H . . 5.360 5.223 5.062 5.323 . 0 0 "[ . 1 . 2]" 1
819 1 52 HIS HB3 1 53 CYS H . . 3.770 2.921 2.286 3.779 0.009 2 0 "[ . 1 . 2]" 1
820 1 53 CYS H 1 53 CYS HB2 . . 3.340 2.389 2.333 2.471 . 0 0 "[ . 1 . 2]" 1
821 1 52 HIS HB2 1 53 CYS H . . 3.770 3.244 2.489 3.776 0.006 17 0 "[ . 1 . 2]" 1
822 1 52 HIS HA 1 53 CYS H . . 3.000 2.389 2.329 2.474 . 0 0 "[ . 1 . 2]" 1
823 1 39 CYS HA 1 40 GLU H . . 2.860 2.443 2.358 2.485 . 0 0 "[ . 1 . 2]" 1
824 1 39 CYS HB2 1 40 GLU H . . 3.210 2.413 2.334 2.592 . 0 0 "[ . 1 . 2]" 1
825 1 7 LYS H 1 8 GLN H . . 4.680 4.411 4.269 4.563 . 0 0 "[ . 1 . 2]" 1
826 1 3 THR MG 1 8 GLN H . . 4.330 3.979 3.678 4.312 . 0 0 "[ . 1 . 2]" 1
827 1 10 LYS H 1 11 PRO HD3 . . 5.190 5.079 5.054 5.098 . 0 0 "[ . 1 . 2]" 1
828 1 3 THR HA 1 9 CYS H . . 4.040 3.359 2.884 3.910 . 0 0 "[ . 1 . 2]" 1
829 1 10 LYS H 1 10 LYS HG3 . . 4.170 3.272 2.885 3.898 . 0 0 "[ . 1 . 2]" 1
830 1 11 PRO HB3 1 12 ASN H . . 4.520 3.401 3.335 3.506 . 0 0 "[ . 1 . 2]" 1
831 1 12 ASN HA 1 12 ASN HD22 . . 5.090 4.389 3.827 4.692 . 0 0 "[ . 1 . 2]" 1
832 1 12 ASN HB2 1 12 ASN HD21 . . 3.610 2.245 2.137 2.550 . 0 0 "[ . 1 . 2]" 1
833 1 12 ASN HB2 1 12 ASN HD22 . . 3.610 3.485 3.442 3.611 0.001 5 0 "[ . 1 . 2]" 1
834 1 11 PRO HB3 1 12 ASN HD22 . . 4.910 4.570 4.316 4.911 0.001 5 0 "[ . 1 . 2]" 1
835 1 11 PRO HB3 1 12 ASN HD21 . . 4.910 4.114 3.639 4.639 . 0 0 "[ . 1 . 2]" 1
836 1 72 CYS H 1 73 GLN H . . 4.700 4.584 4.540 4.611 . 0 0 "[ . 1 . 2]" 1
837 1 55 CYS H 1 59 LEU HB2 . . 5.200 5.054 4.978 5.103 . 0 0 "[ . 1 . 2]" 1
838 1 17 GLN H 1 18 ASN H . . 4.630 4.458 4.376 4.510 . 0 0 "[ . 1 . 2]" 1
839 1 17 GLN HB3 1 18 ASN H . . 4.510 3.791 3.175 4.292 . 0 0 "[ . 1 . 2]" 1
840 1 18 ASN HD21 1 51 GLN HA . . 5.010 4.543 3.751 5.012 0.002 3 0 "[ . 1 . 2]" 1
841 1 18 ASN HB3 1 19 SER H . . 4.710 4.246 3.736 4.562 . 0 0 "[ . 1 . 2]" 1
842 1 18 ASN H 1 19 SER H . . 4.470 3.053 1.973 4.067 . 0 0 "[ . 1 . 2]" 1
843 1 19 SER HA 1 26 SER H . . 4.690 4.308 2.896 4.692 0.002 3 0 "[ . 1 . 2]" 1
844 1 26 SER H 1 26 SER HB2 . . 4.100 3.255 2.621 3.828 . 0 0 "[ . 1 . 2]" 1
845 1 28 ARG QD 1 29 CYS H . . 4.400 3.575 1.938 4.291 . 0 0 "[ . 1 . 2]" 1
846 1 32 LEU H 1 32 LEU HG . . 3.490 2.643 2.530 2.759 . 0 0 "[ . 1 . 2]" 1
847 1 24 LYS H 1 25 ASP H . . 4.200 3.922 3.723 4.037 . 0 0 "[ . 1 . 2]" 1
848 1 16 VAL H 1 30 HIS H . . 4.840 4.260 4.035 4.642 . 0 0 "[ . 1 . 2]" 1
849 1 3 THR MG 1 8 GLN HE21 . . 4.800 3.079 2.590 3.394 . 0 0 "[ . 1 . 2]" 1
850 1 3 THR MG 1 8 GLN HE22 . . 4.910 4.534 4.069 4.895 . 0 0 "[ . 1 . 2]" 1
851 1 19 SER H 1 19 SER HB3 . . 3.620 2.912 2.245 3.589 . 0 0 "[ . 1 . 2]" 1
852 1 34 LYS H 1 59 LEU MD1 . . 4.300 3.906 3.754 4.015 . 0 0 "[ . 1 . 2]" 1
853 1 34 LYS H 1 34 LYS HG2 . . 3.560 2.262 2.187 2.298 . 0 0 "[ . 1 . 2]" 1
854 1 35 LEU H 1 36 ASN H . . 4.770 4.616 4.606 4.623 . 0 0 "[ . 1 . 2]" 1
855 1 35 LEU H 1 59 LEU MD2 . . 3.680 3.243 3.068 3.417 . 0 0 "[ . 1 . 2]" 1
856 1 35 LEU HG 1 36 ASN HD21 . . 3.940 2.628 1.950 2.942 . 0 0 "[ . 1 . 2]" 1
857 1 35 LEU MD2 1 36 ASN HD21 . . 3.920 3.391 2.848 3.967 0.047 2 0 "[ . 1 . 2]" 1
858 1 35 LEU MD2 1 36 ASN HD22 . . 3.740 3.064 2.647 3.630 . 0 0 "[ . 1 . 2]" 1
859 1 35 LEU HG 1 36 ASN HD22 . . 4.020 2.941 2.486 3.331 . 0 0 "[ . 1 . 2]" 1
860 1 37 ASN HA 1 37 ASN QD . . 3.980 2.812 2.450 3.889 . 0 0 "[ . 1 . 2]" 1
861 1 41 VAL H 1 41 VAL MG2 . . 3.850 2.015 1.921 2.137 . 0 0 "[ . 1 . 2]" 1
862 1 43 PRO HB3 1 44 ASN H . . 3.520 3.202 3.187 3.207 . 0 0 "[ . 1 . 2]" 1
863 1 44 ASN HA 1 44 ASN HD21 . . 4.680 4.570 4.526 4.578 . 0 0 "[ . 1 . 2]" 1
864 1 44 ASN HA 1 44 ASN HD22 . . 4.970 4.944 4.929 4.962 . 0 0 "[ . 1 . 2]" 1
865 1 44 ASN HD21 1 48 ILE HB . . 4.110 2.686 2.108 2.888 . 0 0 "[ . 1 . 2]" 1
866 1 44 ASN HD22 1 48 ILE HB . . 4.140 2.998 2.286 3.217 . 0 0 "[ . 1 . 2]" 1
867 1 45 GLU H 1 45 GLU HG3 . . 3.930 3.319 2.458 3.680 . 0 0 "[ . 1 . 2]" 1
868 1 45 GLU H 1 45 GLU HG2 . . 3.930 2.229 2.026 2.314 . 0 0 "[ . 1 . 2]" 1
869 1 44 ASN HD22 1 46 ASN H . . 5.500 5.530 5.487 5.548 0.048 11 0 "[ . 1 . 2]" 1
870 1 46 ASN H 1 46 ASN HD22 . . 4.750 4.271 3.638 4.656 . 0 0 "[ . 1 . 2]" 1
871 1 44 ASN HD22 1 48 ILE H . . 4.720 3.961 3.630 4.113 . 0 0 "[ . 1 . 2]" 1
872 1 51 GLN H 1 52 HIS H . . 2.850 2.280 2.256 2.297 . 0 0 "[ . 1 . 2]" 1
873 1 57 GLU H 1 59 LEU H . . 5.210 2.735 2.679 2.780 . 0 0 "[ . 1 . 2]" 1
874 1 57 GLU HA 1 58 GLY H . . 2.980 2.945 2.839 2.979 . 0 0 "[ . 1 . 2]" 1
875 1 59 LEU HA 1 60 SER H . . 2.800 2.528 2.415 2.584 . 0 0 "[ . 1 . 2]" 1
876 1 60 SER H 1 73 GLN HB2 . . 4.990 4.692 4.627 4.804 . 0 0 "[ . 1 . 2]" 1
877 1 59 LEU MD2 1 60 SER H . . 3.540 3.495 3.388 3.542 0.002 3 0 "[ . 1 . 2]" 1
878 1 59 LEU H 1 60 SER H . . 4.700 4.484 4.458 4.523 . 0 0 "[ . 1 . 2]" 1
879 1 60 SER H 1 60 SER HB3 . . 3.240 3.179 3.038 3.242 0.002 10 0 "[ . 1 . 2]" 1
880 1 60 SER H 1 60 SER HB2 . . 3.250 3.010 2.941 3.072 . 0 0 "[ . 1 . 2]" 1
881 1 65 GLY H 1 70 LEU HA . . 5.120 4.548 3.859 5.102 . 0 0 "[ . 1 . 2]" 1
882 1 64 VAL H 1 69 LYS H . . 4.860 4.696 4.297 4.863 0.003 10 0 "[ . 1 . 2]" 1
883 1 68 ASN HB3 1 69 LYS H . . 4.870 4.365 4.247 4.604 . 0 0 "[ . 1 . 2]" 1
884 1 69 LYS H 1 69 LYS HB2 . . 3.420 2.631 2.318 2.893 . 0 0 "[ . 1 . 2]" 1
885 1 70 LEU HB2 1 71 ARG H . . 4.810 4.245 3.884 4.436 . 0 0 "[ . 1 . 2]" 1
886 1 36 ASN HA 1 72 CYS H . . 4.600 4.350 3.980 4.602 0.002 19 0 "[ . 1 . 2]" 1
887 1 35 LEU HA 1 72 CYS H . . 4.970 4.828 4.709 4.963 . 0 0 "[ . 1 . 2]" 1
888 1 73 GLN H 1 74 GLU H . . 4.430 4.192 4.143 4.305 . 0 0 "[ . 1 . 2]" 1
889 1 73 GLN HB3 1 73 GLN HE21 . . 4.280 3.552 3.519 3.576 . 0 0 "[ . 1 . 2]" 1
890 1 73 GLN HE21 1 73 GLN HG2 . . 3.530 2.750 2.743 2.761 . 0 0 "[ . 1 . 2]" 1
891 1 35 LEU MD2 1 73 GLN HE21 . . 5.350 5.168 4.965 5.321 . 0 0 "[ . 1 . 2]" 1
892 1 35 LEU HG 1 73 GLN HE21 . . 5.500 5.140 4.638 5.364 . 0 0 "[ . 1 . 2]" 1
893 1 71 ARG HB2 1 73 GLN HE21 . . 5.500 4.962 4.485 5.515 0.015 10 0 "[ . 1 . 2]" 1
894 1 71 ARG HB3 1 73 GLN HE21 . . 5.500 4.599 3.814 5.431 . 0 0 "[ . 1 . 2]" 1
895 1 73 GLN HA 1 73 GLN HE21 . . 4.450 2.619 2.468 2.820 . 0 0 "[ . 1 . 2]" 1
896 1 36 ASN HA 1 73 GLN HE21 . . 4.550 4.130 3.749 4.493 . 0 0 "[ . 1 . 2]" 1
897 1 36 ASN H 1 73 GLN HE21 . . 4.540 3.921 3.779 4.062 . 0 0 "[ . 1 . 2]" 1
898 1 36 ASN HA 1 73 GLN HE22 . . 4.450 3.899 3.395 4.329 . 0 0 "[ . 1 . 2]" 1
899 1 73 GLN HA 1 73 GLN HE22 . . 4.950 3.081 2.967 3.249 . 0 0 "[ . 1 . 2]" 1
900 1 73 GLN HE22 1 73 GLN HG2 . . 3.860 3.701 3.697 3.706 . 0 0 "[ . 1 . 2]" 1
901 1 73 GLN HB3 1 73 GLN HE22 . . 4.990 4.866 4.856 4.873 . 0 0 "[ . 1 . 2]" 1
902 1 35 LEU HG 1 73 GLN HE22 . . 4.470 3.949 3.550 4.158 . 0 0 "[ . 1 . 2]" 1
903 1 35 LEU MD2 1 73 GLN HE22 . . 4.240 3.995 3.744 4.160 . 0 0 "[ . 1 . 2]" 1
904 1 74 GLU H 1 74 GLU QG . . 2.900 2.173 1.936 2.432 . 0 0 "[ . 1 . 2]" 1
905 1 17 GLN HB3 1 17 GLN HE21 . . 4.820 4.076 3.181 4.542 . 0 0 "[ . 1 . 2]" 1
906 1 17 GLN HE22 1 26 SER HA . . 5.500 4.388 3.844 5.149 . 0 0 "[ . 1 . 2]" 1
907 1 17 GLN HE22 1 27 PRO HA . . 5.500 3.957 3.273 4.805 . 0 0 "[ . 1 . 2]" 1
908 1 17 GLN HE21 1 27 PRO HA . . 5.060 3.017 2.194 4.609 . 0 0 "[ . 1 . 2]" 1
909 1 25 ASP HB3 1 26 SER H . . 4.490 4.151 3.722 4.453 . 0 0 "[ . 1 . 2]" 1
910 1 25 ASP HB2 1 26 SER H . . 4.490 4.024 3.395 4.516 0.026 12 0 "[ . 1 . 2]" 1
911 1 42 GLU H 1 42 GLU QG . . 3.550 3.260 2.531 3.366 . 0 0 "[ . 1 . 2]" 1
912 1 65 GLY H 1 66 GLU H . . 4.580 4.303 4.238 4.395 . 0 0 "[ . 1 . 2]" 1
913 1 66 GLU H 1 69 LYS H . . 4.390 4.057 3.821 4.360 . 0 0 "[ . 1 . 2]" 1
914 1 11 PRO HB3 1 13 SER H . . 5.500 5.335 5.189 5.449 . 0 0 "[ . 1 . 2]" 1
915 1 18 ASN H 1 48 ILE MG . . 5.490 5.067 4.784 5.256 . 0 0 "[ . 1 . 2]" 1
916 1 28 ARG H 1 28 ARG QD . . 5.100 4.649 3.970 5.075 . 0 0 "[ . 1 . 2]" 1
917 1 33 GLY H 1 56 GLY H . . 4.590 4.307 3.986 4.444 . 0 0 "[ . 1 . 2]" 1
918 1 43 PRO HB3 1 47 GLY H . . 5.020 4.771 4.729 4.816 . 0 0 "[ . 1 . 2]" 1
919 1 34 LYS HB3 1 37 ASN QD . . 5.500 4.703 4.545 5.065 . 0 0 "[ . 1 . 2]" 1
920 1 39 CYS H 1 71 ARG H . . 4.970 4.921 4.658 4.980 0.010 6 0 "[ . 1 . 2]" 1
921 1 44 ASN HD21 1 45 GLU H . . 4.770 4.605 4.568 4.639 . 0 0 "[ . 1 . 2]" 1
922 1 63 LYS H 1 64 VAL H . . 4.740 4.509 4.475 4.546 . 0 0 "[ . 1 . 2]" 1
923 1 52 HIS H 1 53 CYS HA . . 5.500 5.381 5.360 5.396 . 0 0 "[ . 1 . 2]" 1
924 1 3 THR H 1 4 CYS H . . 5.350 4.041 3.900 4.241 . 0 0 "[ . 1 . 2]" 1
925 1 3 THR MG 1 6 GLY H . . 5.040 3.470 2.934 3.912 . 0 0 "[ . 1 . 2]" 1
926 1 14 CYS H 1 54 PRO HG2 . . 5.500 5.505 5.493 5.512 0.012 13 0 "[ . 1 . 2]" 1
927 1 17 GLN HE22 1 18 ASN H . . 5.260 4.108 2.375 5.265 0.005 5 0 "[ . 1 . 2]" 1
928 1 18 ASN HD22 1 51 GLN HA . . 5.010 3.946 2.841 5.011 0.001 13 0 "[ . 1 . 2]" 1
929 1 15 CYS HA 1 28 ARG H . . 5.020 4.523 3.907 4.842 . 0 0 "[ . 1 . 2]" 1
930 1 23 GLY HA2 1 25 ASP H . . 5.170 4.990 4.744 5.169 . 0 0 "[ . 1 . 2]" 1
931 1 35 LEU H 1 72 CYS HB3 . . 4.770 4.667 4.549 4.773 0.003 6 0 "[ . 1 . 2]" 1
932 1 33 GLY H 1 54 PRO HG2 . . 5.500 5.023 4.908 5.222 . 0 0 "[ . 1 . 2]" 1
933 1 44 ASN H 1 48 ILE MG . . 5.430 5.112 5.055 5.197 . 0 0 "[ . 1 . 2]" 1
934 1 34 LYS HG3 1 37 ASN H . . 4.480 4.112 3.865 4.278 . 0 0 "[ . 1 . 2]" 1
935 1 16 VAL MG1 1 49 TYR H . . 5.270 3.134 2.808 3.407 . 0 0 "[ . 1 . 2]" 1
936 1 47 GLY H 1 48 ILE MD . . 4.910 4.808 4.059 4.913 0.003 8 0 "[ . 1 . 2]" 1
937 1 47 GLY H 1 48 ILE MG . . 5.500 5.535 5.476 5.552 0.052 11 0 "[ . 1 . 2]" 1
938 1 17 GLN H 1 49 TYR H . . 5.000 3.825 3.232 4.139 . 0 0 "[ . 1 . 2]" 1
939 1 48 ILE H 1 49 TYR H . . 4.820 4.472 4.446 4.531 . 0 0 "[ . 1 . 2]" 1
940 1 46 ASN H 1 46 ASN HD21 . . 4.750 3.111 1.979 3.929 . 0 0 "[ . 1 . 2]" 1
941 1 57 GLU H 1 58 GLY H . . 3.470 2.426 2.358 2.636 . 0 0 "[ . 1 . 2]" 1
942 1 60 SER H 1 61 CYS H . . 4.690 4.073 3.990 4.205 . 0 0 "[ . 1 . 2]" 1
943 1 61 CYS H 1 73 GLN H . . 5.500 4.632 4.493 4.750 . 0 0 "[ . 1 . 2]" 1
944 1 55 CYS HA 1 57 GLU H . . 3.830 3.624 3.577 3.697 . 0 0 "[ . 1 . 2]" 1
945 1 63 LYS QE 1 64 VAL H . . 4.980 4.857 4.544 4.981 0.001 10 0 "[ . 1 . 2]" 1
946 1 66 GLU H 1 67 PRO HA . . 5.020 4.755 4.746 4.763 . 0 0 "[ . 1 . 2]" 1
947 1 66 GLU HA 1 69 LYS H . . 4.250 2.784 2.590 2.988 . 0 0 "[ . 1 . 2]" 1
948 1 73 GLN HE21 1 74 GLU H . . 4.900 4.351 4.052 4.643 . 0 0 "[ . 1 . 2]" 1
949 1 73 GLN HE22 1 74 GLU H . . 4.850 4.209 3.845 4.617 . 0 0 "[ . 1 . 2]" 1
950 1 36 ASN H 1 72 CYS H . . 4.210 4.154 3.994 4.225 0.015 2 0 "[ . 1 . 2]" 1
951 1 35 LEU HA 1 73 GLN HE21 . . 5.500 5.506 5.496 5.528 0.028 2 0 "[ . 1 . 2]" 1
952 1 35 LEU HA 1 74 GLU H . . 4.990 4.634 4.500 4.996 0.006 2 0 "[ . 1 . 2]" 1
953 1 72 CYS H 1 73 GLN HB2 . . 5.500 5.372 5.254 5.488 . 0 0 "[ . 1 . 2]" 1
954 1 60 SER HB3 1 61 CYS H . . 4.120 4.008 3.861 4.067 . 0 0 "[ . 1 . 2]" 1
955 1 61 CYS HA 1 62 THR H . . 3.040 2.159 2.145 2.178 . 0 0 "[ . 1 . 2]" 1
956 1 61 CYS HA 1 72 CYS H . . 4.750 4.509 4.379 4.707 . 0 0 "[ . 1 . 2]" 1
957 1 36 ASN H 1 73 GLN HE22 . . 4.850 3.666 3.422 3.841 . 0 0 "[ . 1 . 2]" 1
958 1 39 CYS H 1 39 CYS HB2 . . 4.200 3.908 3.862 3.978 . 0 0 "[ . 1 . 2]" 1
959 1 70 LEU H 1 70 LEU MD1 . . 4.190 2.871 2.328 3.454 . 0 0 "[ . 1 . 2]" 1
960 1 70 LEU H 1 70 LEU MD2 . . 4.190 4.064 3.879 4.191 0.001 17 0 "[ . 1 . 2]" 1
961 1 40 GLU H 1 54 PRO HB3 . . 4.080 3.902 3.807 3.970 . 0 0 "[ . 1 . 2]" 1
962 1 5 GLY HA2 1 7 LYS H . . 4.730 4.422 4.267 4.730 0.000 19 0 "[ . 1 . 2]" 1
963 1 17 GLN HB2 1 17 GLN HE21 . . 4.820 3.900 2.279 4.623 . 0 0 "[ . 1 . 2]" 1
964 1 23 GLY H 1 24 LYS H . . 3.860 2.180 2.068 2.600 . 0 0 "[ . 1 . 2]" 1
965 1 28 ARG H 1 29 CYS H . . 4.590 4.442 4.414 4.479 . 0 0 "[ . 1 . 2]" 1
966 1 35 LEU HB2 1 36 ASN H . . 4.240 3.894 3.818 3.975 . 0 0 "[ . 1 . 2]" 1
967 1 35 LEU HB3 1 36 ASN H . . 4.240 4.019 3.812 4.119 . 0 0 "[ . 1 . 2]" 1
968 1 39 CYS H 1 71 ARG QD . . 5.500 4.684 3.467 5.507 0.007 19 0 "[ . 1 . 2]" 1
969 1 46 ASN HB3 1 48 ILE H . . 4.510 4.311 4.081 4.517 0.007 5 0 "[ . 1 . 2]" 1
970 1 59 LEU H 1 75 GLU H . . 5.230 4.924 4.701 5.059 . 0 0 "[ . 1 . 2]" 1
971 1 67 PRO HA 1 69 LYS H . . 4.990 4.722 4.522 4.981 . 0 0 "[ . 1 . 2]" 1
972 1 73 GLN HG3 1 74 GLU H . . 3.360 3.175 2.981 3.341 . 0 0 "[ . 1 . 2]" 1
973 1 59 LEU HB3 1 72 CYS H . . 5.500 5.451 5.334 5.506 0.006 8 0 "[ . 1 . 2]" 1
974 1 38 PRO HA 1 39 CYS H . . 3.050 2.160 2.150 2.215 . 0 0 "[ . 1 . 2]" 1
975 1 70 LEU HA 1 71 ARG H . . 2.980 2.225 2.156 2.330 . 0 0 "[ . 1 . 2]" 1
976 1 3 THR HA 1 8 GLN HE21 . . 5.440 5.235 4.896 5.426 . 0 0 "[ . 1 . 2]" 1
977 1 2 VAL MG1 1 9 CYS H . . 4.810 2.933 1.925 3.948 . 0 0 "[ . 1 . 2]" 1
978 1 7 LYS H 1 8 GLN HA . . 5.170 4.871 4.651 5.183 0.013 10 0 "[ . 1 . 2]" 1
979 1 8 GLN H 1 8 GLN HG3 . . 3.430 3.262 3.062 3.429 . 0 0 "[ . 1 . 2]" 1
980 1 8 GLN HG3 1 9 CYS H . . 4.370 4.285 4.137 4.367 . 0 0 "[ . 1 . 2]" 1
981 1 8 GLN QB 1 8 GLN HE22 . . 4.810 3.976 3.589 4.127 . 0 0 "[ . 1 . 2]" 1
982 1 12 ASN HB2 1 32 LEU H . . 4.870 4.604 4.411 4.871 0.001 5 0 "[ . 1 . 2]" 1
983 1 16 VAL HB 1 18 ASN H . . 5.500 5.414 5.214 5.505 0.005 9 0 "[ . 1 . 2]" 1
984 1 23 GLY HA2 1 24 LYS H . . 3.320 3.188 3.123 3.332 0.012 12 0 "[ . 1 . 2]" 1
985 1 17 GLN HE22 1 26 SER H . . 5.020 3.106 1.966 4.916 . 0 0 "[ . 1 . 2]" 1
986 1 33 GLY H 1 53 CYS HB3 . . 4.070 2.902 2.769 3.221 . 0 0 "[ . 1 . 2]" 1
987 1 33 GLY H 1 53 CYS HB2 . . 3.760 2.787 2.648 3.013 . 0 0 "[ . 1 . 2]" 1
988 1 33 GLY H 1 54 PRO HD2 . . 4.890 4.369 4.255 4.626 . 0 0 "[ . 1 . 2]" 1
989 1 12 ASN H 1 32 LEU MD1 . . 4.800 3.970 3.814 4.170 . 0 0 "[ . 1 . 2]" 1
990 1 32 LEU MD1 1 33 GLY H . . 4.920 4.616 4.449 4.689 . 0 0 "[ . 1 . 2]" 1
991 1 42 GLU H 1 43 PRO HD3 . . 4.940 4.937 4.901 4.950 0.010 1 0 "[ . 1 . 2]" 1
992 1 44 ASN HA 1 45 GLU H . . 3.200 2.725 2.719 2.734 . 0 0 "[ . 1 . 2]" 1
993 1 45 GLU HG2 1 46 ASN H . . 4.430 3.146 2.649 4.431 0.001 11 0 "[ . 1 . 2]" 1
994 1 45 GLU QB 1 47 GLY H . . 5.350 5.117 4.774 5.217 . 0 0 "[ . 1 . 2]" 1
995 1 44 ASN HD21 1 48 ILE MG . . 5.020 4.067 3.816 4.227 . 0 0 "[ . 1 . 2]" 1
996 1 40 GLU H 1 49 TYR QD . . 4.540 4.336 3.930 4.541 0.001 5 0 "[ . 1 . 2]" 1
997 1 52 HIS H 1 52 HIS HB3 . . 3.910 3.288 2.736 3.616 . 0 0 "[ . 1 . 2]" 1
998 1 40 GLU H 1 54 PRO HB2 . . 5.140 5.134 5.048 5.148 0.008 2 0 "[ . 1 . 2]" 1
999 1 39 CYS HB3 1 55 CYS H . . 4.650 4.457 4.311 4.561 . 0 0 "[ . 1 . 2]" 1
1000 1 52 HIS H 1 53 CYS H . . 4.890 4.610 4.590 4.619 . 0 0 "[ . 1 . 2]" 1
1001 1 33 GLY H 1 53 CYS H . . 4.630 3.781 3.615 4.057 . 0 0 "[ . 1 . 2]" 1
1002 1 39 CYS HA 1 53 CYS H . . 4.820 4.811 4.746 4.832 0.012 10 0 "[ . 1 . 2]" 1
1003 1 32 LEU HA 1 53 CYS H . . 4.490 4.460 4.332 4.495 0.005 2 0 "[ . 1 . 2]" 1
1004 1 53 CYS H 1 54 PRO HD3 . . 5.100 5.062 5.035 5.077 . 0 0 "[ . 1 . 2]" 1
1005 1 39 CYS HB2 1 55 CYS H . . 3.750 3.319 3.152 3.397 . 0 0 "[ . 1 . 2]" 1
1006 1 60 SER H 1 72 CYS HB3 . . 4.340 4.185 4.035 4.352 0.012 2 0 "[ . 1 . 2]" 1
1007 1 56 GLY H 1 57 GLU HA . . 4.630 4.462 4.445 4.473 . 0 0 "[ . 1 . 2]" 1
1008 1 32 LEU MD2 1 56 GLY H . . 3.410 3.194 3.023 3.292 . 0 0 "[ . 1 . 2]" 1
1009 1 32 LEU MD2 1 57 GLU H . . 4.660 4.618 4.437 4.664 0.004 16 0 "[ . 1 . 2]" 1
1010 1 37 ASN H 1 59 LEU MD2 . . 4.900 4.779 4.640 4.894 . 0 0 "[ . 1 . 2]" 1
1011 1 60 SER H 1 73 GLN HA . . 4.370 4.171 4.092 4.263 . 0 0 "[ . 1 . 2]" 1
1012 1 60 SER HA 1 73 GLN H . . 4.730 4.295 4.161 4.364 . 0 0 "[ . 1 . 2]" 1
1013 1 61 CYS HA 1 73 GLN H . . 4.980 3.952 3.744 4.113 . 0 0 "[ . 1 . 2]" 1
1014 1 60 SER H 1 73 GLN HB3 . . 4.270 3.820 3.728 3.910 . 0 0 "[ . 1 . 2]" 1
1015 1 59 LEU MD1 1 60 SER H . . 4.640 4.442 4.360 4.628 . 0 0 "[ . 1 . 2]" 1
1016 1 59 LEU MD1 1 73 GLN H . . 4.630 4.378 4.225 4.628 . 0 0 "[ . 1 . 2]" 1
1017 1 59 LEU MD2 1 73 GLN HE21 . . 5.180 5.130 4.891 5.180 0.000 5 0 "[ . 1 . 2]" 1
1018 1 62 THR HA 1 63 LYS H . . 2.660 2.204 2.185 2.261 . 0 0 "[ . 1 . 2]" 1
1019 1 62 THR MG 1 73 GLN HE22 . . 4.760 4.647 4.452 4.741 . 0 0 "[ . 1 . 2]" 1
1020 1 63 LYS H 1 63 LYS HG3 . . 4.840 4.392 4.145 4.557 . 0 0 "[ . 1 . 2]" 1
1021 1 63 LYS HG3 1 65 GLY H . . 4.090 3.220 2.214 3.819 . 0 0 "[ . 1 . 2]" 1
1022 1 63 LYS HB3 1 65 GLY H . . 5.310 4.628 3.873 5.138 . 0 0 "[ . 1 . 2]" 1
1023 1 63 LYS HA 1 65 GLY H . . 3.890 3.540 3.486 3.623 . 0 0 "[ . 1 . 2]" 1
1024 1 67 PRO HD3 1 68 ASN H . . 4.210 3.863 3.844 3.869 . 0 0 "[ . 1 . 2]" 1
1025 1 68 ASN HA 1 68 ASN HD21 . . 4.680 3.825 2.115 4.405 . 0 0 "[ . 1 . 2]" 1
1026 1 68 ASN HA 1 68 ASN HD22 . . 4.680 4.315 3.417 4.877 0.197 19 0 "[ . 1 . 2]" 1
1027 1 68 ASN HB2 1 69 LYS H . . 4.870 4.577 4.287 4.662 . 0 0 "[ . 1 . 2]" 1
1028 1 63 LYS QE 1 69 LYS H . . 4.220 3.627 2.593 4.216 . 0 0 "[ . 1 . 2]" 1
1029 1 61 CYS H 1 62 THR H . . 4.570 4.362 4.309 4.415 . 0 0 "[ . 1 . 2]" 1
1030 1 50 SER HB3 1 51 GLN H . . 3.870 2.274 2.207 2.323 . 0 0 "[ . 1 . 2]" 1
1031 1 66 GLU H 1 66 GLU HG2 . . 3.540 2.828 2.362 3.593 0.053 16 0 "[ . 1 . 2]" 1
1032 1 67 PRO QG 1 68 ASN H . . 3.660 1.970 1.934 2.090 . 0 0 "[ . 1 . 2]" 1
1033 1 67 PRO HB3 1 68 ASN H . . 4.450 3.929 3.907 4.004 . 0 0 "[ . 1 . 2]" 1
1034 1 68 ASN H 1 69 LYS HB2 . . 4.530 4.351 4.221 4.528 . 0 0 "[ . 1 . 2]" 1
1035 1 68 ASN H 1 69 LYS HB3 . . 5.390 5.248 4.969 5.397 0.007 16 0 "[ . 1 . 2]" 1
1036 1 30 HIS HB2 1 30 HIS HD2 . . 3.890 3.556 3.473 3.596 . 0 0 "[ . 1 . 2]" 1
1037 1 30 HIS HB3 1 30 HIS HD2 . . 3.890 2.710 2.698 2.739 . 0 0 "[ . 1 . 2]" 1
1038 1 16 VAL MG2 1 30 HIS HD2 . . 4.400 4.317 4.170 4.402 0.002 13 0 "[ . 1 . 2]" 1
1039 1 30 HIS HD2 1 52 HIS HA . . 3.770 3.277 2.949 3.517 . 0 0 "[ . 1 . 2]" 1
1040 1 30 HIS HA 1 30 HIS HD2 . . 4.550 4.333 4.288 4.426 . 0 0 "[ . 1 . 2]" 1
1041 1 40 GLU HB2 1 49 TYR QD . . 3.920 3.654 3.036 3.921 0.001 12 0 "[ . 1 . 2]" 1
1042 1 51 GLN HB3 1 52 HIS HD2 . . 4.420 4.056 2.815 4.419 . 0 0 "[ . 1 . 2]" 1
1043 1 51 GLN HB2 1 52 HIS HD2 . . 4.420 3.750 3.058 4.391 . 0 0 "[ . 1 . 2]" 1
1044 1 52 HIS HA 1 52 HIS HD2 . . 4.560 4.124 2.769 4.575 0.015 3 0 "[ . 1 . 2]" 1
1045 1 20 HIS HA 1 20 HIS HD2 . . 4.160 2.950 2.134 4.139 . 0 0 "[ . 1 . 2]" 1
1046 1 30 HIS HD2 1 31 PRO HD2 . . 4.070 3.196 3.102 3.410 . 0 0 "[ . 1 . 2]" 1
1047 1 30 HIS HD2 1 31 PRO QG . . 4.480 4.156 4.035 4.409 . 0 0 "[ . 1 . 2]" 1
1048 1 52 HIS H 1 52 HIS HD2 . . 3.960 2.928 2.492 3.804 . 0 0 "[ . 1 . 2]" 1
1049 1 1 SER HA 1 2 VAL QG . . 3.810 3.604 3.451 3.796 . 0 0 "[ . 1 . 2]" 1
1050 1 1 SER QB 1 2 VAL QG . . 4.580 4.172 3.742 4.542 . 0 0 "[ . 1 . 2]" 1
1051 1 1 SER QB 1 8 GLN QB . . 4.350 3.835 3.145 4.230 . 0 0 "[ . 1 . 2]" 1
1052 1 1 SER QB 1 8 GLN HG2 . . 4.320 3.008 2.630 3.223 . 0 0 "[ . 1 . 2]" 1
1053 1 1 SER QB 1 8 GLN HG3 . . 4.720 4.558 4.220 4.718 . 0 0 "[ . 1 . 2]" 1
1054 1 2 VAL HA 1 2 VAL QG . . 2.840 2.151 2.042 2.293 . 0 0 "[ . 1 . 2]" 1
1055 1 2 VAL QG 1 3 THR H . . 3.290 2.161 1.946 2.309 . 0 0 "[ . 1 . 2]" 1
1056 1 2 VAL QG 1 3 THR HA . . 4.240 3.411 3.141 3.630 . 0 0 "[ . 1 . 2]" 1
1057 1 2 VAL QG 1 3 THR HB . . 4.640 4.488 4.264 4.634 . 0 0 "[ . 1 . 2]" 1
1058 1 2 VAL QG 1 4 CYS QB . . 4.040 3.611 3.163 3.919 . 0 0 "[ . 1 . 2]" 1
1059 1 2 VAL QG 1 9 CYS H . . 4.150 2.861 1.920 3.693 . 0 0 "[ . 1 . 2]" 1
1060 1 2 VAL QG 1 9 CYS HA . . 4.970 4.294 3.452 4.957 . 0 0 "[ . 1 . 2]" 1
1061 1 2 VAL QG 1 9 CYS HB2 . . 3.970 2.354 1.816 3.026 . 0 0 "[ . 1 . 2]" 1
1062 1 2 VAL QG 1 9 CYS HB3 . . 4.540 3.143 2.369 3.901 . 0 0 "[ . 1 . 2]" 1
1063 1 2 VAL QG 1 14 CYS HA . . 3.400 3.203 3.030 3.361 . 0 0 "[ . 1 . 2]" 1
1064 1 2 VAL QG 1 15 CYS H . . 4.100 3.947 3.688 4.099 . 0 0 "[ . 1 . 2]" 1
1065 1 2 VAL QG 1 15 CYS HB3 . . 4.910 4.670 4.322 4.852 . 0 0 "[ . 1 . 2]" 1
1066 1 3 THR MG 1 6 GLY QA . . 3.740 3.315 2.874 3.717 . 0 0 "[ . 1 . 2]" 1
1067 1 4 CYS QB 1 5 GLY QA . . 4.620 3.703 3.527 3.833 . 0 0 "[ . 1 . 2]" 1
1068 1 4 CYS QB 1 27 PRO QB . . 4.180 2.952 2.344 3.411 . 0 0 "[ . 1 . 2]" 1
1069 1 5 GLY QA 1 7 LYS H . . 4.150 3.564 3.312 3.883 . 0 0 "[ . 1 . 2]" 1
1070 1 5 GLY QA 1 26 SER HA . . 4.620 3.886 3.146 4.458 . 0 0 "[ . 1 . 2]" 1
1071 1 5 GLY QA 1 27 PRO QB . . 4.620 4.407 3.994 4.593 . 0 0 "[ . 1 . 2]" 1
1072 1 5 GLY QA 1 27 PRO QG . . 4.040 2.676 2.343 2.951 . 0 0 "[ . 1 . 2]" 1
1073 1 5 GLY QA 1 27 PRO QD . . 3.970 2.670 2.087 3.126 . 0 0 "[ . 1 . 2]" 1
1074 1 9 CYS HB2 1 10 LYS QB . . 5.340 5.300 5.158 5.347 0.007 10 0 "[ . 1 . 2]" 1
1075 1 9 CYS HB2 1 13 SER QB . . 5.340 4.555 3.756 5.318 . 0 0 "[ . 1 . 2]" 1
1076 1 9 CYS HB3 1 13 SER QB . . 4.240 3.784 3.339 4.241 0.001 16 0 "[ . 1 . 2]" 1
1077 1 10 LYS H 1 10 LYS QB . . 3.270 2.145 2.090 2.225 . 0 0 "[ . 1 . 2]" 1
1078 1 10 LYS H 1 10 LYS QG . . 3.530 3.075 2.652 3.536 0.006 3 0 "[ . 1 . 2]" 1
1079 1 10 LYS HA 1 10 LYS QG . . 3.500 2.244 2.118 2.666 . 0 0 "[ . 1 . 2]" 1
1080 1 10 LYS QB 1 10 LYS QD . . 3.260 2.200 2.049 2.538 . 0 0 "[ . 1 . 2]" 1
1081 1 10 LYS QB 1 10 LYS QE . . 3.600 2.836 1.970 3.638 0.038 9 0 "[ . 1 . 2]" 1
1082 1 10 LYS QB 1 11 PRO HD2 . . 3.320 2.067 1.929 2.251 . 0 0 "[ . 1 . 2]" 1
1083 1 10 LYS QB 1 11 PRO HD3 . . 3.770 3.416 3.316 3.543 . 0 0 "[ . 1 . 2]" 1
1084 1 10 LYS QE 1 10 LYS QG . . 3.350 2.215 1.971 2.576 . 0 0 "[ . 1 . 2]" 1
1085 1 10 LYS QG 1 11 PRO HD2 . . 4.930 2.375 2.019 3.354 . 0 0 "[ . 1 . 2]" 1
1086 1 10 LYS QG 1 11 PRO HD3 . . 4.130 3.185 2.856 4.240 0.110 9 0 "[ . 1 . 2]" 1
1087 1 11 PRO HA 1 12 ASN QD . . 5.030 4.154 3.801 4.418 . 0 0 "[ . 1 . 2]" 1
1088 1 11 PRO HB3 1 12 ASN QD . . 4.090 3.796 3.521 4.083 . 0 0 "[ . 1 . 2]" 1
1089 1 12 ASN HA 1 12 ASN QD . . 4.370 3.640 2.939 3.963 . 0 0 "[ . 1 . 2]" 1
1090 1 12 ASN HB2 1 12 ASN QD . . 3.020 2.219 2.117 2.500 . 0 0 "[ . 1 . 2]" 1
1091 1 12 ASN QD 1 32 LEU MD1 . . 5.010 4.219 3.601 4.520 . 0 0 "[ . 1 . 2]" 1
1092 1 13 SER H 1 13 SER QB . . 3.160 2.889 2.618 3.085 . 0 0 "[ . 1 . 2]" 1
1093 1 13 SER QB 1 14 CYS H . . 3.750 3.341 3.126 3.760 0.010 6 0 "[ . 1 . 2]" 1
1094 1 13 SER QB 1 30 HIS H . . 3.830 3.154 2.921 3.813 . 0 0 "[ . 1 . 2]" 1
1095 1 15 CYS HB2 1 27 PRO QB . . 5.340 4.365 3.601 4.846 . 0 0 "[ . 1 . 2]" 1
1096 1 15 CYS HB3 1 27 PRO QB . . 4.120 3.020 2.206 3.559 . 0 0 "[ . 1 . 2]" 1
1097 1 16 VAL H 1 16 VAL QG . . 3.170 2.050 1.934 2.162 . 0 0 "[ . 1 . 2]" 1
1098 1 16 VAL HB 1 30 HIS QB . . 4.880 4.226 4.103 4.532 . 0 0 "[ . 1 . 2]" 1
1099 1 16 VAL QG 1 17 GLN H . . 3.640 3.406 3.132 3.558 . 0 0 "[ . 1 . 2]" 1
1100 1 16 VAL QG 1 18 ASN QD . . 5.270 3.066 2.183 4.100 . 0 0 "[ . 1 . 2]" 1
1101 1 16 VAL QG 1 28 ARG H . . 3.340 2.362 2.174 2.531 . 0 0 "[ . 1 . 2]" 1
1102 1 16 VAL QG 1 28 ARG QB . . 4.480 2.545 2.106 3.668 . 0 0 "[ . 1 . 2]" 1
1103 1 16 VAL QG 1 28 ARG QG . . 4.410 3.912 1.874 4.252 . 0 0 "[ . 1 . 2]" 1
1104 1 16 VAL QG 1 28 ARG QD . . 5.020 4.193 2.750 4.795 . 0 0 "[ . 1 . 2]" 1
1105 1 16 VAL QG 1 30 HIS H . . 4.720 2.951 2.761 3.320 . 0 0 "[ . 1 . 2]" 1
1106 1 16 VAL QG 1 30 HIS HA . . 4.420 3.887 3.741 4.099 . 0 0 "[ . 1 . 2]" 1
1107 1 16 VAL QG 1 30 HIS QB . . 2.870 1.904 1.819 1.991 . 0 0 "[ . 1 . 2]" 1
1108 1 16 VAL QG 1 30 HIS HD2 . . 3.690 3.639 3.537 3.693 0.003 16 0 "[ . 1 . 2]" 1
1109 1 16 VAL QG 1 48 ILE MG . . 4.060 3.453 3.246 3.594 . 0 0 "[ . 1 . 2]" 1
1110 1 16 VAL QG 1 49 TYR H . . 3.970 3.102 2.790 3.361 . 0 0 "[ . 1 . 2]" 1
1111 1 16 VAL QG 1 49 TYR HA . . 4.530 4.245 3.979 4.442 . 0 0 "[ . 1 . 2]" 1
1112 1 16 VAL QG 1 49 TYR HB2 . . 3.460 2.041 1.918 2.249 . 0 0 "[ . 1 . 2]" 1
1113 1 16 VAL QG 1 49 TYR HB3 . . 3.790 2.878 2.653 2.996 . 0 0 "[ . 1 . 2]" 1
1114 1 16 VAL QG 1 49 TYR QD . . 4.150 3.663 3.470 3.813 . 0 0 "[ . 1 . 2]" 1
1115 1 16 VAL QG 1 50 SER H . . 4.090 3.559 3.291 3.726 . 0 0 "[ . 1 . 2]" 1
1116 1 16 VAL QG 1 51 GLN HA . . 3.490 2.847 2.685 3.008 . 0 0 "[ . 1 . 2]" 1
1117 1 16 VAL QG 1 52 HIS H . . 4.240 4.201 4.061 4.267 0.027 5 0 "[ . 1 . 2]" 1
1118 1 16 VAL QG 1 52 HIS HA . . 4.460 4.299 4.084 4.411 . 0 0 "[ . 1 . 2]" 1
1119 1 16 VAL QG 1 53 CYS H . . 5.080 4.805 4.712 4.896 . 0 0 "[ . 1 . 2]" 1
1120 1 16 VAL QG 1 53 CYS HA . . 4.960 3.881 3.774 3.959 . 0 0 "[ . 1 . 2]" 1
1121 1 17 GLN H 1 17 GLN QG . . 4.210 3.892 3.424 4.140 . 0 0 "[ . 1 . 2]" 1
1122 1 17 GLN HA 1 27 PRO QB . . 4.360 2.676 2.081 3.279 . 0 0 "[ . 1 . 2]" 1
1123 1 17 GLN QB 1 17 GLN HE21 . . 4.220 3.479 2.260 3.987 . 0 0 "[ . 1 . 2]" 1
1124 1 17 GLN QB 1 18 ASN H . . 3.950 3.556 3.096 3.756 . 0 0 "[ . 1 . 2]" 1
1125 1 17 GLN QB 1 27 PRO HA . . 4.550 4.334 4.120 4.548 . 0 0 "[ . 1 . 2]" 1
1126 1 17 GLN QB 1 48 ILE MD . . 4.550 3.323 2.709 4.550 . 0 0 "[ . 1 . 2]" 1
1127 1 17 GLN QB 1 50 SER HA . . 4.510 3.944 3.522 4.316 . 0 0 "[ . 1 . 2]" 1
1128 1 17 GLN HE21 1 17 GLN QG . . 3.120 2.213 2.092 2.516 . 0 0 "[ . 1 . 2]" 1
1129 1 17 GLN HE22 1 17 GLN QG . . 3.390 3.280 3.217 3.395 0.005 19 0 "[ . 1 . 2]" 1
1130 1 17 GLN QG 1 18 ASN H . . 4.010 3.324 2.465 4.014 0.004 9 0 "[ . 1 . 2]" 1
1131 1 17 GLN HE21 1 27 PRO QD . . 4.410 2.760 2.184 3.547 . 0 0 "[ . 1 . 2]" 1
1132 1 17 GLN HE22 1 27 PRO QG . . 5.350 4.012 2.621 5.341 . 0 0 "[ . 1 . 2]" 1
1133 1 17 GLN HE22 1 27 PRO QD . . 4.240 2.745 1.947 3.885 . 0 0 "[ . 1 . 2]" 1
1134 1 18 ASN H 1 18 ASN QB . . 3.320 2.736 2.478 3.310 . 0 0 "[ . 1 . 2]" 1
1135 1 18 ASN HA 1 18 ASN QD . . 4.250 2.898 1.957 4.018 . 0 0 "[ . 1 . 2]" 1
1136 1 18 ASN QB 1 18 ASN QD . . 3.020 2.234 2.064 2.545 . 0 0 "[ . 1 . 2]" 1
1137 1 18 ASN QB 1 19 SER H . . 4.130 3.721 2.891 3.906 . 0 0 "[ . 1 . 2]" 1
1138 1 19 SER QB 1 25 ASP H . . 5.340 5.055 4.305 5.324 . 0 0 "[ . 1 . 2]" 1
1139 1 19 SER QB 1 25 ASP HA . . 3.990 3.128 1.938 3.671 . 0 0 "[ . 1 . 2]" 1
1140 1 19 SER QB 1 26 SER H . . 3.790 3.384 2.258 3.765 . 0 0 "[ . 1 . 2]" 1
1141 1 20 HIS QB 1 20 HIS HD2 . . 3.300 2.980 2.692 3.283 . 0 0 "[ . 1 . 2]" 1
1142 1 22 LYS H 1 22 LYS QB . . 3.540 2.385 2.176 2.640 . 0 0 "[ . 1 . 2]" 1
1143 1 22 LYS HA 1 22 LYS QG . . 3.510 2.588 2.191 3.343 . 0 0 "[ . 1 . 2]" 1
1144 1 22 LYS QE 1 22 LYS QG . . 3.380 2.297 2.094 2.673 . 0 0 "[ . 1 . 2]" 1
1145 1 23 GLY HA3 1 24 LYS QB . . 4.950 4.846 4.698 4.948 . 0 0 "[ . 1 . 2]" 1
1146 1 24 LYS H 1 24 LYS QB . . 3.130 2.482 2.396 3.011 . 0 0 "[ . 1 . 2]" 1
1147 1 24 LYS HA 1 25 ASP QB . . 4.720 4.539 4.115 4.701 . 0 0 "[ . 1 . 2]" 1
1148 1 24 LYS QB 1 24 LYS QD . . 2.770 2.193 2.042 2.426 . 0 0 "[ . 1 . 2]" 1
1149 1 24 LYS QB 1 25 ASP H . . 3.800 3.715 3.627 3.798 . 0 0 "[ . 1 . 2]" 1
1150 1 25 ASP H 1 25 ASP QB . . 3.030 2.558 2.104 2.681 . 0 0 "[ . 1 . 2]" 1
1151 1 25 ASP QB 1 26 SER H . . 3.740 3.577 3.267 3.749 0.009 12 0 "[ . 1 . 2]" 1
1152 1 25 ASP QB 1 27 PRO QD . . 4.280 3.055 2.896 3.308 . 0 0 "[ . 1 . 2]" 1
1153 1 26 SER H 1 26 SER QB . . 3.330 2.763 2.505 3.161 . 0 0 "[ . 1 . 2]" 1
1154 1 26 SER H 1 27 PRO QD . . 4.180 3.360 3.293 3.465 . 0 0 "[ . 1 . 2]" 1
1155 1 26 SER HA 1 27 PRO QG . . 4.430 3.831 3.830 3.832 . 0 0 "[ . 1 . 2]" 1
1156 1 26 SER HA 1 27 PRO QD . . 2.860 1.924 1.923 1.924 . 0 0 "[ . 1 . 2]" 1
1157 1 26 SER QB 1 27 PRO QD . . 4.200 3.656 3.552 3.807 . 0 0 "[ . 1 . 2]" 1
1158 1 27 PRO QB 1 48 ILE MG . . 3.480 2.794 2.559 3.005 . 0 0 "[ . 1 . 2]" 1
1159 1 27 PRO QB 1 48 ILE MD . . 3.830 2.996 2.628 3.413 . 0 0 "[ . 1 . 2]" 1
1160 1 27 PRO QG 1 48 ILE MG . . 4.010 3.977 3.665 4.017 0.007 12 0 "[ . 1 . 2]" 1
1161 1 27 PRO QG 1 48 ILE MD . . 3.810 3.035 2.474 3.504 . 0 0 "[ . 1 . 2]" 1
1162 1 27 PRO QD 1 28 ARG H . . 4.960 4.962 4.958 4.969 0.009 15 0 "[ . 1 . 2]" 1
1163 1 28 ARG H 1 28 ARG QB . . 3.660 2.605 2.489 2.947 . 0 0 "[ . 1 . 2]" 1
1164 1 28 ARG H 1 28 ARG QG . . 4.300 3.928 2.357 4.289 . 0 0 "[ . 1 . 2]" 1
1165 1 28 ARG QB 1 28 ARG QD . . 3.350 2.144 1.956 2.363 . 0 0 "[ . 1 . 2]" 1
1166 1 28 ARG QB 1 29 CYS H . . 3.450 2.740 2.155 3.113 . 0 0 "[ . 1 . 2]" 1
1167 1 28 ARG QG 1 29 CYS H . . 3.720 2.437 1.904 3.720 . 0 0 "[ . 1 . 2]" 1
1168 1 29 CYS H 1 29 CYS QB . . 3.100 2.630 2.333 2.842 . 0 0 "[ . 1 . 2]" 1
1169 1 30 HIS H 1 30 HIS QB . . 3.260 2.432 2.317 2.544 . 0 0 "[ . 1 . 2]" 1
1170 1 30 HIS QB 1 30 HIS HD2 . . 3.130 2.630 2.626 2.643 . 0 0 "[ . 1 . 2]" 1
1171 1 30 HIS QB 1 31 PRO HD2 . . 4.150 2.787 2.750 2.827 . 0 0 "[ . 1 . 2]" 1
1172 1 33 GLY HA3 1 37 ASN QB . . 4.550 3.899 3.667 4.359 . 0 0 "[ . 1 . 2]" 1
1173 1 34 LYS H 1 37 ASN QB . . 3.320 2.547 2.472 2.643 . 0 0 "[ . 1 . 2]" 1
1174 1 34 LYS HA 1 35 LEU QB . . 4.460 4.354 4.325 4.380 . 0 0 "[ . 1 . 2]" 1
1175 1 34 LYS HG3 1 37 ASN QB . . 4.890 2.493 2.297 2.665 . 0 0 "[ . 1 . 2]" 1
1176 1 35 LEU H 1 35 LEU QB . . 2.670 2.203 2.177 2.248 . 0 0 "[ . 1 . 2]" 1
1177 1 35 LEU H 1 36 ASN QB . . 5.270 5.119 4.942 5.252 . 0 0 "[ . 1 . 2]" 1
1178 1 35 LEU QB 1 35 LEU MD1 . . 3.040 2.289 2.185 2.329 . 0 0 "[ . 1 . 2]" 1
1179 1 35 LEU QB 1 36 ASN H . . 3.710 3.519 3.452 3.578 . 0 0 "[ . 1 . 2]" 1
1180 1 35 LEU QB 1 37 ASN H . . 5.290 4.953 4.708 5.136 . 0 0 "[ . 1 . 2]" 1
1181 1 35 LEU QB 1 59 LEU MD2 . . 2.980 1.933 1.894 2.180 . 0 0 "[ . 1 . 2]" 1
1182 1 35 LEU MD1 1 36 ASN QB . . 4.510 3.781 3.438 4.511 0.001 8 0 "[ . 1 . 2]" 1
1183 1 35 LEU MD1 1 74 GLU QB . . 3.720 3.326 2.810 3.611 . 0 0 "[ . 1 . 2]" 1
1184 1 35 LEU MD2 1 36 ASN QB . . 5.330 4.096 3.835 4.409 . 0 0 "[ . 1 . 2]" 1
1185 1 36 ASN H 1 36 ASN QB . . 3.580 3.279 3.149 3.398 . 0 0 "[ . 1 . 2]" 1
1186 1 36 ASN HA 1 64 VAL QG . . 5.040 4.659 3.858 5.041 0.001 16 0 "[ . 1 . 2]" 1
1187 1 36 ASN QB 1 36 ASN HD21 . . 2.900 2.259 2.087 2.660 . 0 0 "[ . 1 . 2]" 1
1188 1 36 ASN QB 1 36 ASN HD22 . . 3.580 3.272 3.213 3.439 . 0 0 "[ . 1 . 2]" 1
1189 1 36 ASN QB 1 37 ASN H . . 4.020 3.800 3.703 3.859 . 0 0 "[ . 1 . 2]" 1
1190 1 37 ASN H 1 37 ASN QB . . 2.820 2.429 2.338 2.517 . 0 0 "[ . 1 . 2]" 1
1191 1 37 ASN H 1 38 PRO QD . . 4.920 4.362 4.351 4.371 . 0 0 "[ . 1 . 2]" 1
1192 1 37 ASN H 1 71 ARG QB . . 5.340 3.846 3.331 4.649 . 0 0 "[ . 1 . 2]" 1
1193 1 37 ASN HA 1 38 PRO QG . . 4.910 4.062 4.059 4.063 . 0 0 "[ . 1 . 2]" 1
1194 1 37 ASN HA 1 38 PRO QD . . 2.920 2.145 2.142 2.147 . 0 0 "[ . 1 . 2]" 1
1195 1 37 ASN QB 1 38 PRO QD . . 3.270 2.256 2.150 2.337 . 0 0 "[ . 1 . 2]" 1
1196 1 37 ASN QD 1 38 PRO QG . . 5.350 5.077 4.551 5.344 . 0 0 "[ . 1 . 2]" 1
1197 1 37 ASN QD 1 38 PRO QD . . 3.820 3.542 3.298 3.835 0.015 7 0 "[ . 1 . 2]" 1
1198 1 38 PRO QB 1 39 CYS H . . 3.520 3.360 3.014 3.496 . 0 0 "[ . 1 . 2]" 1
1199 1 38 PRO QB 1 71 ARG HA . . 5.340 4.791 4.323 5.008 . 0 0 "[ . 1 . 2]" 1
1200 1 38 PRO QG 1 39 CYS H . . 4.800 4.673 4.499 4.727 . 0 0 "[ . 1 . 2]" 1
1201 1 39 CYS H 1 70 LEU QB . . 4.340 3.805 3.414 4.183 . 0 0 "[ . 1 . 2]" 1
1202 1 39 CYS H 1 70 LEU QD . . 5.440 5.008 4.527 5.393 . 0 0 "[ . 1 . 2]" 1
1203 1 39 CYS H 1 71 ARG QB . . 5.340 4.797 4.432 5.068 . 0 0 "[ . 1 . 2]" 1
1204 1 39 CYS HA 1 52 HIS QB . . 3.760 3.237 3.004 3.421 . 0 0 "[ . 1 . 2]" 1
1205 1 40 GLU H 1 40 GLU QB . . 3.130 2.527 2.462 2.574 . 0 0 "[ . 1 . 2]" 1
1206 1 40 GLU H 1 52 HIS QB . . 5.340 4.907 4.601 5.298 . 0 0 "[ . 1 . 2]" 1
1207 1 40 GLU HA 1 41 VAL QG . . 4.200 3.585 3.526 3.643 . 0 0 "[ . 1 . 2]" 1
1208 1 40 GLU HA 1 70 LEU QD . . 3.420 3.158 2.791 3.406 . 0 0 "[ . 1 . 2]" 1
1209 1 40 GLU QB 1 41 VAL H . . 3.620 3.470 3.226 3.569 . 0 0 "[ . 1 . 2]" 1
1210 1 40 GLU QB 1 41 VAL QG . . 5.280 4.528 4.332 4.617 . 0 0 "[ . 1 . 2]" 1
1211 1 40 GLU QB 1 42 GLU H . . 4.820 4.104 3.542 4.422 . 0 0 "[ . 1 . 2]" 1
1212 1 40 GLU QB 1 49 TYR QD . . 3.400 2.810 2.538 3.117 . 0 0 "[ . 1 . 2]" 1
1213 1 40 GLU QB 1 54 PRO HA . . 5.030 4.563 4.378 4.709 . 0 0 "[ . 1 . 2]" 1
1214 1 40 GLU QB 1 70 LEU QD . . 4.780 4.709 4.371 4.785 0.005 10 0 "[ . 1 . 2]" 1
1215 1 40 GLU QG 1 41 VAL H . . 3.530 2.259 2.039 2.565 . 0 0 "[ . 1 . 2]" 1
1216 1 40 GLU QG 1 41 VAL HA . . 5.340 4.343 4.089 4.935 . 0 0 "[ . 1 . 2]" 1
1217 1 40 GLU QG 1 42 GLU H . . 4.300 2.648 2.273 3.563 . 0 0 "[ . 1 . 2]" 1
1218 1 40 GLU QG 1 49 TYR QD . . 4.510 4.225 3.945 4.482 . 0 0 "[ . 1 . 2]" 1
1219 1 40 GLU QG 1 70 LEU QD . . 4.250 4.097 3.944 4.253 0.003 8 0 "[ . 1 . 2]" 1
1220 1 41 VAL H 1 41 VAL QG . . 2.830 2.007 1.915 2.125 . 0 0 "[ . 1 . 2]" 1
1221 1 41 VAL H 1 70 LEU QD . . 3.930 2.843 2.582 2.965 . 0 0 "[ . 1 . 2]" 1
1222 1 41 VAL HA 1 41 VAL QG . . 2.750 2.096 2.039 2.130 . 0 0 "[ . 1 . 2]" 1
1223 1 41 VAL HA 1 61 CYS QB . . 4.610 3.198 2.873 3.508 . 0 0 "[ . 1 . 2]" 1
1224 1 41 VAL QG 1 42 GLU H . . 3.440 2.905 2.798 3.014 . 0 0 "[ . 1 . 2]" 1
1225 1 41 VAL QG 1 42 GLU HA . . 4.310 3.892 3.788 4.047 . 0 0 "[ . 1 . 2]" 1
1226 1 41 VAL QG 1 42 GLU QB . . 4.270 3.113 2.765 3.376 . 0 0 "[ . 1 . 2]" 1
1227 1 41 VAL QG 1 42 GLU QG . . 3.280 2.165 1.960 3.284 0.004 18 0 "[ . 1 . 2]" 1
1228 1 41 VAL QG 1 61 CYS QB . . 3.200 2.939 2.715 3.169 . 0 0 "[ . 1 . 2]" 1
1229 1 42 GLU H 1 42 GLU QB . . 3.480 2.676 2.620 2.999 . 0 0 "[ . 1 . 2]" 1
1230 1 42 GLU H 1 70 LEU QD . . 5.130 5.103 4.885 5.139 0.009 5 0 "[ . 1 . 2]" 1
1231 1 42 GLU QB 1 43 PRO HD3 . . 3.890 3.341 3.268 3.352 . 0 0 "[ . 1 . 2]" 1
1232 1 43 PRO HB2 1 47 GLY QA . . 3.720 2.083 1.985 2.268 . 0 0 "[ . 1 . 2]" 1
1233 1 43 PRO HB3 1 47 GLY QA . . 4.440 3.294 3.208 3.441 . 0 0 "[ . 1 . 2]" 1
1234 1 44 ASN H 1 47 GLY QA . . 5.340 3.599 3.457 3.777 . 0 0 "[ . 1 . 2]" 1
1235 1 44 ASN QB 1 45 GLU H . . 2.820 2.079 2.071 2.095 . 0 0 "[ . 1 . 2]" 1
1236 1 44 ASN QB 1 45 GLU HA . . 4.400 4.256 4.252 4.259 . 0 0 "[ . 1 . 2]" 1
1237 1 44 ASN QB 1 45 GLU QB . . 4.170 3.986 3.879 4.082 . 0 0 "[ . 1 . 2]" 1
1238 1 44 ASN QB 1 46 ASN H . . 3.560 2.231 2.203 2.290 . 0 0 "[ . 1 . 2]" 1
1239 1 44 ASN HD21 1 48 ILE QG . . 4.870 4.085 2.846 4.360 . 0 0 "[ . 1 . 2]" 1
1240 1 44 ASN HD22 1 48 ILE QG . . 5.140 4.857 3.885 5.095 . 0 0 "[ . 1 . 2]" 1
1241 1 45 GLU H 1 45 GLU QG . . 3.380 2.178 2.012 2.283 . 0 0 "[ . 1 . 2]" 1
1242 1 45 GLU H 1 46 ASN QD . . 5.230 4.322 3.314 5.245 0.015 5 0 "[ . 1 . 2]" 1
1243 1 45 GLU QG 1 46 ASN H . . 3.830 2.884 2.521 3.889 0.059 11 0 "[ . 1 . 2]" 1
1244 1 46 ASN H 1 46 ASN QB . . 3.150 2.322 2.230 2.446 . 0 0 "[ . 1 . 2]" 1
1245 1 46 ASN H 1 47 GLY QA . . 4.720 4.167 4.126 4.249 . 0 0 "[ . 1 . 2]" 1
1246 1 46 ASN H 1 48 ILE QG . . 4.750 4.593 3.907 4.753 0.003 9 0 "[ . 1 . 2]" 1
1247 1 46 ASN QB 1 46 ASN QD . . 3.020 2.167 2.066 2.557 . 0 0 "[ . 1 . 2]" 1
1248 1 46 ASN QB 1 47 GLY H . . 3.670 2.878 2.846 2.910 . 0 0 "[ . 1 . 2]" 1
1249 1 46 ASN QB 1 48 ILE QG . . 3.990 2.631 2.099 2.786 . 0 0 "[ . 1 . 2]" 1
1250 1 46 ASN QB 1 48 ILE MD . . 3.780 2.824 2.665 3.266 . 0 0 "[ . 1 . 2]" 1
1251 1 46 ASN QD 1 48 ILE MD . . 5.130 4.304 3.325 5.161 0.031 5 0 "[ . 1 . 2]" 1
1252 1 47 GLY QA 1 48 ILE MG . . 5.340 5.192 5.139 5.238 . 0 0 "[ . 1 . 2]" 1
1253 1 48 ILE H 1 48 ILE QG . . 3.390 2.598 2.222 2.690 . 0 0 "[ . 1 . 2]" 1
1254 1 48 ILE QG 1 48 ILE MG . . 3.230 2.318 2.210 2.341 . 0 0 "[ . 1 . 2]" 1
1255 1 48 ILE QG 1 49 TYR H . . 5.100 4.130 4.019 4.498 . 0 0 "[ . 1 . 2]" 1
1256 1 49 TYR HB3 1 50 SER QB . . 5.340 3.915 3.873 3.954 . 0 0 "[ . 1 . 2]" 1
1257 1 50 SER QB 1 51 GLN H . . 3.390 2.084 2.061 2.097 . 0 0 "[ . 1 . 2]" 1
1258 1 50 SER QB 1 52 HIS H . . 3.840 3.831 3.775 3.856 0.016 11 0 "[ . 1 . 2]" 1
1259 1 51 GLN H 1 52 HIS QB . . 4.930 4.390 4.046 4.708 . 0 0 "[ . 1 . 2]" 1
1260 1 51 GLN HA 1 51 GLN QG . . 3.370 2.294 2.123 3.008 . 0 0 "[ . 1 . 2]" 1
1261 1 51 GLN HA 1 51 GLN QE . . 4.660 4.076 2.915 4.617 . 0 0 "[ . 1 . 2]" 1
1262 1 51 GLN QB 1 52 HIS H . . 3.380 2.274 2.123 2.369 . 0 0 "[ . 1 . 2]" 1
1263 1 51 GLN QB 1 52 HIS HD2 . . 3.690 3.354 2.783 3.695 0.005 5 0 "[ . 1 . 2]" 1
1264 1 52 HIS H 1 52 HIS QB . . 3.400 2.503 2.180 2.672 . 0 0 "[ . 1 . 2]" 1
1265 1 52 HIS QB 1 52 HIS HD2 . . 3.160 2.760 2.660 3.030 . 0 0 "[ . 1 . 2]" 1
1266 1 52 HIS QB 1 53 CYS H . . 3.030 2.451 2.264 2.601 . 0 0 "[ . 1 . 2]" 1
1267 1 57 GLU H 1 57 GLU QG . . 3.100 2.331 2.168 2.364 . 0 0 "[ . 1 . 2]" 1
1268 1 57 GLU QG 1 58 GLY HA3 . . 4.710 4.069 4.016 4.269 . 0 0 "[ . 1 . 2]" 1
1269 1 57 GLU QG 1 59 LEU H . . 4.550 3.435 3.370 3.505 . 0 0 "[ . 1 . 2]" 1
1270 1 57 GLU QG 1 59 LEU MD2 . . 4.430 3.235 3.141 3.364 . 0 0 "[ . 1 . 2]" 1
1271 1 59 LEU HA 1 75 GLU QB . . 4.470 3.854 3.461 3.985 . 0 0 "[ . 1 . 2]" 1
1272 1 61 CYS H 1 70 LEU QD . . 5.440 5.073 4.732 5.366 . 0 0 "[ . 1 . 2]" 1
1273 1 61 CYS QB 1 62 THR H . . 3.980 3.674 3.573 3.805 . 0 0 "[ . 1 . 2]" 1
1274 1 61 CYS QB 1 70 LEU QD . . 3.600 2.290 1.948 2.682 . 0 0 "[ . 1 . 2]" 1
1275 1 62 THR H 1 64 VAL QG . . 5.370 4.240 4.000 4.497 . 0 0 "[ . 1 . 2]" 1
1276 1 62 THR H 1 70 LEU QD . . 4.740 4.166 3.580 4.555 . 0 0 "[ . 1 . 2]" 1
1277 1 62 THR H 1 71 ARG QB . . 4.680 4.250 4.098 4.343 . 0 0 "[ . 1 . 2]" 1
1278 1 62 THR HA 1 63 LYS QB . . 4.260 4.064 4.002 4.104 . 0 0 "[ . 1 . 2]" 1
1279 1 62 THR HA 1 70 LEU QD . . 3.960 3.660 2.863 3.964 0.004 19 0 "[ . 1 . 2]" 1
1280 1 62 THR MG 1 64 VAL QG . . 3.130 2.195 2.032 2.373 . 0 0 "[ . 1 . 2]" 1
1281 1 62 THR MG 1 70 LEU QD . . 5.440 4.634 4.099 4.856 . 0 0 "[ . 1 . 2]" 1
1282 1 63 LYS H 1 63 LYS QG . . 4.210 3.947 3.855 3.988 . 0 0 "[ . 1 . 2]" 1
1283 1 63 LYS H 1 70 LEU QD . . 3.430 3.241 2.708 3.432 0.002 12 0 "[ . 1 . 2]" 1
1284 1 63 LYS HA 1 64 VAL QG . . 4.440 3.342 3.285 3.423 . 0 0 "[ . 1 . 2]" 1
1285 1 63 LYS HA 1 70 LEU QD . . 3.110 2.256 1.976 3.024 . 0 0 "[ . 1 . 2]" 1
1286 1 63 LYS QB 1 64 VAL H . . 4.290 3.756 3.655 3.828 . 0 0 "[ . 1 . 2]" 1
1287 1 63 LYS QB 1 65 GLY H . . 4.490 4.242 3.730 4.500 0.010 4 0 "[ . 1 . 2]" 1
1288 1 63 LYS QB 1 70 LEU QD . . 3.530 2.333 1.891 2.893 . 0 0 "[ . 1 . 2]" 1
1289 1 63 LYS QG 1 64 VAL H . . 3.570 2.876 2.744 3.014 . 0 0 "[ . 1 . 2]" 1
1290 1 63 LYS QG 1 65 GLY H . . 3.340 2.580 2.144 2.865 . 0 0 "[ . 1 . 2]" 1
1291 1 63 LYS QG 1 65 GLY HA3 . . 5.130 4.569 4.397 4.705 . 0 0 "[ . 1 . 2]" 1
1292 1 63 LYS QG 1 68 ASN HA . . 4.310 3.371 2.441 3.852 . 0 0 "[ . 1 . 2]" 1
1293 1 63 LYS QG 1 69 LYS H . . 3.840 3.262 2.679 3.789 . 0 0 "[ . 1 . 2]" 1
1294 1 63 LYS QG 1 70 LEU QD . . 3.680 2.512 1.963 3.213 . 0 0 "[ . 1 . 2]" 1
1295 1 63 LYS QD 1 68 ASN HA . . 4.340 3.066 2.000 4.331 . 0 0 "[ . 1 . 2]" 1
1296 1 63 LYS QE 1 70 LEU QD . . 4.650 4.180 3.013 4.590 . 0 0 "[ . 1 . 2]" 1
1297 1 64 VAL H 1 64 VAL QG . . 2.920 2.074 1.945 2.193 . 0 0 "[ . 1 . 2]" 1
1298 1 64 VAL H 1 69 LYS QG . . 4.330 3.888 3.419 4.327 . 0 0 "[ . 1 . 2]" 1
1299 1 64 VAL H 1 70 LEU QD . . 4.180 3.802 3.345 4.177 . 0 0 "[ . 1 . 2]" 1
1300 1 64 VAL HA 1 64 VAL QG . . 2.800 2.268 2.135 2.359 . 0 0 "[ . 1 . 2]" 1
1301 1 64 VAL QG 1 65 GLY H . . 3.340 2.668 2.189 3.160 . 0 0 "[ . 1 . 2]" 1
1302 1 64 VAL QG 1 65 GLY HA2 . . 4.320 3.938 3.688 4.274 . 0 0 "[ . 1 . 2]" 1
1303 1 64 VAL QG 1 69 LYS HA . . 5.400 4.571 4.261 5.059 . 0 0 "[ . 1 . 2]" 1
1304 1 64 VAL QG 1 69 LYS HB2 . . 4.680 4.328 3.938 4.681 0.001 14 0 "[ . 1 . 2]" 1
1305 1 64 VAL QG 1 69 LYS HB3 . . 4.000 3.118 2.709 3.663 . 0 0 "[ . 1 . 2]" 1
1306 1 64 VAL QG 1 69 LYS QG . . 3.370 2.426 1.927 3.212 . 0 0 "[ . 1 . 2]" 1
1307 1 64 VAL QG 1 69 LYS QD . . 4.140 3.115 1.773 3.968 . 0 0 "[ . 1 . 2]" 1
1308 1 64 VAL QG 1 69 LYS QE . . 4.050 3.241 2.065 4.051 0.001 11 0 "[ . 1 . 2]" 1
1309 1 64 VAL QG 1 70 LEU HA . . 4.280 3.442 2.839 4.037 . 0 0 "[ . 1 . 2]" 1
1310 1 64 VAL QG 1 71 ARG QB . . 3.350 2.079 1.667 2.596 . 0 0 "[ . 1 . 2]" 1
1311 1 64 VAL QG 1 71 ARG QG . . 2.970 2.307 1.763 2.980 0.010 6 0 "[ . 1 . 2]" 1
1312 1 64 VAL QG 1 71 ARG QD . . 4.020 2.798 1.828 3.522 . 0 0 "[ . 1 . 2]" 1
1313 1 64 VAL QG 1 73 GLN HB2 . . 4.320 4.014 3.752 4.273 . 0 0 "[ . 1 . 2]" 1
1314 1 64 VAL QG 1 73 GLN HG2 . . 4.650 4.460 4.035 4.652 0.002 9 0 "[ . 1 . 2]" 1
1315 1 64 VAL QG 1 73 GLN HE21 . . 4.180 3.814 3.233 4.036 . 0 0 "[ . 1 . 2]" 1
1316 1 64 VAL QG 1 73 GLN HE22 . . 4.880 4.699 3.997 4.880 0.000 19 0 "[ . 1 . 2]" 1
1317 1 65 GLY HA2 1 66 GLU QG . . 4.900 3.283 2.985 3.495 . 0 0 "[ . 1 . 2]" 1
1318 1 65 GLY HA3 1 66 GLU QG . . 4.490 3.921 3.774 4.175 . 0 0 "[ . 1 . 2]" 1
1319 1 65 GLY HA3 1 69 LYS QD . . 3.970 2.865 1.991 3.970 . 0 0 "[ . 1 . 2]" 1
1320 1 66 GLU H 1 66 GLU QB . . 3.380 3.194 3.039 3.348 . 0 0 "[ . 1 . 2]" 1
1321 1 66 GLU H 1 66 GLU QG . . 3.050 2.237 2.049 2.473 . 0 0 "[ . 1 . 2]" 1
1322 1 66 GLU QB 1 67 PRO HA . . 3.300 1.914 1.910 1.917 . 0 0 "[ . 1 . 2]" 1
1323 1 66 GLU QG 1 67 PRO HA . . 4.340 3.982 3.956 4.014 . 0 0 "[ . 1 . 2]" 1
1324 1 67 PRO QD 1 68 ASN H . . 3.660 2.674 2.631 2.688 . 0 0 "[ . 1 . 2]" 1
1325 1 68 ASN H 1 68 ASN QB . . 3.520 2.613 2.496 3.238 . 0 0 "[ . 1 . 2]" 1
1326 1 68 ASN HA 1 68 ASN QD . . 4.010 3.550 2.095 4.007 . 0 0 "[ . 1 . 2]" 1
1327 1 68 ASN QB 1 68 ASN QD . . 2.940 2.164 2.064 2.536 . 0 0 "[ . 1 . 2]" 1
1328 1 68 ASN QD 1 70 LEU QD . . 4.040 3.014 2.039 4.078 0.038 16 0 "[ . 1 . 2]" 1
1329 1 69 LYS H 1 70 LEU QD . . 4.610 3.972 3.442 4.611 0.001 11 0 "[ . 1 . 2]" 1
1330 1 69 LYS HA 1 69 LYS QG . . 3.390 2.377 2.229 2.663 . 0 0 "[ . 1 . 2]" 1
1331 1 69 LYS HA 1 69 LYS QD . . 3.940 3.759 3.180 3.992 0.052 16 0 "[ . 1 . 2]" 1
1332 1 69 LYS HA 1 70 LEU QD . . 5.440 4.211 3.739 4.866 . 0 0 "[ . 1 . 2]" 1
1333 1 69 LYS HB2 1 69 LYS QD . . 3.130 2.315 1.987 3.026 . 0 0 "[ . 1 . 2]" 1
1334 1 69 LYS HB3 1 69 LYS QD . . 3.280 2.649 1.958 3.244 . 0 0 "[ . 1 . 2]" 1
1335 1 69 LYS QE 1 69 LYS QG . . 3.180 2.252 1.979 2.659 . 0 0 "[ . 1 . 2]" 1
1336 1 69 LYS QG 1 70 LEU H . . 4.270 3.720 3.257 3.862 . 0 0 "[ . 1 . 2]" 1
1337 1 69 LYS QG 1 71 ARG H . . 5.340 5.167 4.893 5.346 0.006 16 0 "[ . 1 . 2]" 1
1338 1 70 LEU H 1 70 LEU QB . . 3.030 2.143 2.070 2.280 . 0 0 "[ . 1 . 2]" 1
1339 1 70 LEU H 1 70 LEU QD . . 3.420 2.805 2.317 3.300 . 0 0 "[ . 1 . 2]" 1
1340 1 70 LEU HA 1 70 LEU QD . . 3.040 2.212 2.017 2.930 . 0 0 "[ . 1 . 2]" 1
1341 1 70 LEU QB 1 71 ARG H . . 4.180 3.083 2.568 3.484 . 0 0 "[ . 1 . 2]" 1
1342 1 70 LEU QB 1 71 ARG HA . . 4.340 3.967 3.861 4.100 . 0 0 "[ . 1 . 2]" 1
1343 1 70 LEU QD 1 71 ARG H . . 3.800 3.655 3.219 3.853 0.053 16 0 "[ . 1 . 2]" 1
1344 1 71 ARG QB 1 72 CYS H . . 3.700 2.790 2.271 3.362 . 0 0 "[ . 1 . 2]" 1
1345 1 71 ARG QB 1 73 GLN HE21 . . 4.690 4.136 3.748 4.495 . 0 0 "[ . 1 . 2]" 1
1346 1 71 ARG QG 1 72 CYS H . . 4.570 3.557 2.332 4.429 . 0 0 "[ . 1 . 2]" 1
1347 1 74 GLU H 1 74 GLU QB . . 2.690 2.494 2.344 2.630 . 0 0 "[ . 1 . 2]" 1
1348 1 74 GLU QB 1 75 GLU H . . 3.410 3.370 3.305 3.410 . 0 0 "[ . 1 . 2]" 1
1349 1 75 GLU QB 1 76 SER H . . 3.410 3.286 3.193 3.398 . 0 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 15
_Distance_constraint_stats_list.Viol_count 273
_Distance_constraint_stats_list.Viol_total 1504.971
_Distance_constraint_stats_list.Viol_max 0.604
_Distance_constraint_stats_list.Viol_rms 0.2013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2508
_Distance_constraint_stats_list.Viol_average_violations_only 0.2756
_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 4 CYS 11.232 0.601 15 9 "[ *.* ** * +* * -]"
1 9 CYS 13.572 0.604 1 8 "[+* *** 1 .* -*2]"
1 14 CYS 11.373 0.439 14 0 "[ . 1 . 2]"
1 15 CYS 11.232 0.601 15 9 "[ *.* ** * +* * -]"
1 29 CYS 13.572 0.604 1 8 "[+* *** 1 .* -*2]"
1 39 CYS 19.636 0.600 6 15 "[ *+* *********-**]"
1 53 CYS 11.373 0.439 14 0 "[ . 1 . 2]"
1 55 CYS 19.436 0.601 1 10 "[+* **** 1 *. *- *]"
1 61 CYS 19.636 0.600 6 15 "[ *+* *********-**]"
1 72 CYS 19.436 0.601 1 10 "[+* **** 1 *. *- *]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 CYS SG 1 15 CYS SG . . 1.960 2.003 1.961 2.091 0.131 20 0 "[ . 1 . 2]" 2
2 1 4 CYS SG 1 15 CYS CB . . 2.900 2.997 2.903 3.176 0.276 2 0 "[ . 1 . 2]" 2
3 1 4 CYS CB 1 15 CYS SG . . 2.900 3.322 2.981 3.501 0.601 15 9 "[ *.* ** * +* * -]" 2
4 1 9 CYS SG 1 29 CYS SG . . 1.960 2.041 1.957 2.100 0.140 3 0 "[ . 1 . 2]" 2
5 1 9 CYS SG 1 29 CYS CB . . 2.900 3.390 3.225 3.504 0.604 1 8 "[+* *** 1 .* -*2]" 2
6 1 9 CYS CB 1 29 CYS SG . . 2.900 3.008 2.900 3.231 0.331 5 0 "[ . 1 . 2]" 2
7 1 14 CYS SG 1 53 CYS SG . . 1.960 1.959 1.958 1.960 0.000 9 0 "[ . 1 . 2]" 2
8 1 14 CYS SG 1 53 CYS CB . . 2.900 3.097 2.978 3.143 0.243 13 0 "[ . 1 . 2]" 2
9 1 14 CYS CB 1 53 CYS SG . . 2.900 3.272 3.224 3.339 0.439 14 0 "[ . 1 . 2]" 2
10 1 39 CYS SG 1 61 CYS SG . . 1.960 2.073 1.975 2.102 0.142 13 0 "[ . 1 . 2]" 2
11 1 39 CYS SG 1 61 CYS CB . . 2.900 3.400 3.275 3.498 0.598 15 14 "[ *** *1****+**-**]" 2
12 1 39 CYS CB 1 61 CYS SG . . 2.900 3.269 3.158 3.500 0.600 6 2 "[ .+ - . 2]" 2
13 1 55 CYS SG 1 72 CYS SG . . 1.960 1.993 1.958 2.102 0.142 2 0 "[ . 1 . 2]" 2
14 1 55 CYS SG 1 72 CYS CB . . 2.900 3.354 3.221 3.488 0.588 2 6 "[*+ * ** 1 . - 2]" 2
15 1 55 CYS CB 1 72 CYS SG . . 2.900 3.385 3.257 3.501 0.601 1 9 "[+* **** 1 *. - *]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 9:46:54 PM GMT (wattos1)