NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402414 |
1wf5   |
10129 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wf5
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 1993
_Distance_constraint_stats_list.Viol_count 2684
_Distance_constraint_stats_list.Viol_total 4891.163
_Distance_constraint_stats_list.Viol_max 0.981
_Distance_constraint_stats_list.Viol_rms 0.0426
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0911
_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 8 ARG 3.154 0.389 15 0 "[ . 1 . 2]"
1 11 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 1.168 0.185 14 0 "[ . 1 . 2]"
1 13 ARG 2.390 0.702 5 1 "[ + 1 . 2]"
1 14 VAL 3.173 0.520 2 1 "[ + . 1 . 2]"
1 15 ARG 1.391 0.293 5 0 "[ . 1 . 2]"
1 16 GLN 9.214 0.520 2 1 "[ + . 1 . 2]"
1 17 LEU 7.127 0.386 13 0 "[ . 1 . 2]"
1 18 PRO 9.634 0.931 2 5 "[*+ .*- 1 * . 2]"
1 19 HIS 0.206 0.113 1 0 "[ . 1 . 2]"
1 20 ALA 2.172 0.122 20 0 "[ . 1 . 2]"
1 21 PRO 2.428 0.812 4 2 "[ +.- 1 . 2]"
1 22 GLU 16.287 0.826 20 7 "[ **- * 1 * * +]"
1 23 HIS 14.412 0.826 20 5 "[ * * 1 * - +]"
1 24 PRO 8.637 0.275 3 0 "[ . 1 . 2]"
1 25 VAL 2.379 0.406 18 0 "[ . 1 . 2]"
1 26 ALA 2.489 0.116 15 0 "[ . 1 . 2]"
1 27 THR 5.361 0.259 2 0 "[ . 1 . 2]"
1 28 LEU 5.880 0.419 19 0 "[ . 1 . 2]"
1 29 SER 1.741 0.682 7 1 "[ . + 1 . 2]"
1 30 THR 0.700 0.160 19 0 "[ . 1 . 2]"
1 31 VAL 0.061 0.061 9 0 "[ . 1 . 2]"
1 32 GLU 1.446 0.934 7 1 "[ . + 1 . 2]"
1 33 ARG 5.934 0.934 7 1 "[ . + 1 . 2]"
1 34 ARG 12.444 0.890 1 5 "[+ . * *1* * . 2]"
1 35 ALA 1.794 0.199 9 0 "[ . 1 . 2]"
1 36 ILE 2.326 0.229 10 0 "[ . 1 . 2]"
1 37 ASN 3.518 0.682 7 1 "[ . + 1 . 2]"
1 38 LEU 2.165 0.190 18 0 "[ . 1 . 2]"
1 39 THR 4.522 0.406 18 0 "[ . 1 . 2]"
1 40 TRP 7.193 0.224 4 0 "[ . 1 . 2]"
1 41 THR 7.481 0.825 20 3 "[ . 1 * - +]"
1 42 LYS 4.739 0.759 17 2 "[ .* 1 . + 2]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PHE 0.735 0.076 12 0 "[ . 1 . 2]"
1 45 ASP 2.272 0.759 17 1 "[ . 1 . + 2]"
1 46 GLY 3.964 0.417 19 0 "[ . 1 . 2]"
1 47 ASN 2.862 0.702 5 1 "[ + 1 . 2]"
1 48 SER 0.529 0.089 1 0 "[ . 1 . 2]"
1 49 PRO 0.790 0.332 12 0 "[ . 1 . 2]"
1 50 LEU 2.529 0.527 17 1 "[ . 1 . + 2]"
1 51 ILE 1.985 0.144 8 0 "[ . 1 . 2]"
1 52 ARG 6.111 0.438 8 0 "[ . 1 . 2]"
1 53 TYR 1.942 0.949 7 1 "[ . + 1 . 2]"
1 54 ILE 2.787 0.949 7 1 "[ . + 1 . 2]"
1 55 LEU 0.670 0.234 17 0 "[ . 1 . 2]"
1 56 GLU 1.749 0.208 11 0 "[ . 1 . 2]"
1 57 MET 9.008 0.400 19 0 "[ . 1 . 2]"
1 58 SER 3.825 0.498 13 0 "[ . 1 . 2]"
1 59 GLU 3.580 0.957 13 1 "[ . 1 + . 2]"
1 60 ASN 2.503 0.198 12 0 "[ . 1 . 2]"
1 61 ASN 1.459 0.109 17 0 "[ . 1 . 2]"
1 62 ALA 9.422 0.957 13 1 "[ . 1 + . 2]"
1 63 PRO 12.405 0.470 8 0 "[ . 1 . 2]"
1 64 TRP 16.194 0.470 8 0 "[ . 1 . 2]"
1 65 THR 3.596 0.213 19 0 "[ . 1 . 2]"
1 66 VAL 1.572 0.208 11 0 "[ . 1 . 2]"
1 67 LEU 1.689 0.249 12 0 "[ . 1 . 2]"
1 68 LEU 1.213 0.234 17 0 "[ . 1 . 2]"
1 69 ALA 1.576 0.895 7 1 "[ . + 1 . 2]"
1 70 SER 1.827 0.430 15 0 "[ . 1 . 2]"
1 71 VAL 1.101 0.069 18 0 "[ . 1 . 2]"
1 72 ASP 0.665 0.069 18 0 "[ . 1 . 2]"
1 73 PRO 1.110 0.080 20 0 "[ . 1 . 2]"
1 74 LYS 11.353 0.888 4 3 "[ +. 1 .* - 2]"
1 75 ALA 3.682 0.888 4 1 "[ +. 1 . 2]"
1 76 THR 0.910 0.114 18 0 "[ . 1 . 2]"
1 77 SER 1.308 0.405 10 0 "[ . 1 . 2]"
1 78 VAL 3.479 0.405 10 0 "[ . 1 . 2]"
1 79 THR 1.651 0.425 2 0 "[ . 1 . 2]"
1 80 VAL 0.364 0.082 18 0 "[ . 1 . 2]"
1 81 LYS 6.767 0.632 19 4 "[* - . 1 . *+2]"
1 82 GLY 5.519 0.632 19 4 "[* - . 1 . *+2]"
1 83 LEU 0.805 0.148 9 0 "[ . 1 . 2]"
1 84 VAL 0.104 0.033 12 0 "[ . 1 . 2]"
1 85 PRO 8.427 0.893 13 4 "[* . -1* + . 2]"
1 86 ALA 5.325 0.850 20 3 "[ - . * . +]"
1 87 ARG 2.425 0.102 10 0 "[ . 1 . 2]"
1 88 SER 0.759 0.544 2 1 "[ + . 1 . 2]"
1 89 TYR 2.663 0.511 11 1 "[ . 1+ . 2]"
1 90 GLN 2.846 0.715 11 3 "[ * . 1+* . 2]"
1 91 PHE 1.769 0.117 16 0 "[ . 1 . 2]"
1 92 ARG 4.389 0.359 8 0 "[ . 1 . 2]"
1 93 LEU 0.309 0.053 11 0 "[ . 1 . 2]"
1 94 CYS 0.629 0.089 8 0 "[ . 1 . 2]"
1 95 ALA 1.165 0.117 4 0 "[ . 1 . 2]"
1 96 VAL 3.845 0.438 8 0 "[ . 1 . 2]"
1 97 ASN 6.323 0.931 2 5 "[*+ .*- 1 * . 2]"
1 98 ASP 0.011 0.011 2 0 "[ . 1 . 2]"
1 99 VAL 2.614 0.386 13 0 "[ . 1 . 2]"
1 100 GLY 3.739 0.385 12 0 "[ . 1 . 2]"
1 101 LYS 10.451 0.641 13 4 "[ . -1 +*. *]"
1 102 GLY 0.243 0.047 14 0 "[ . 1 . 2]"
1 103 GLN 0.963 0.173 12 0 "[ . 1 . 2]"
1 104 PHE 0.921 0.088 12 0 "[ . 1 . 2]"
1 105 SER 2.240 0.138 14 0 "[ . 1 . 2]"
1 106 LYS 16.927 0.981 12 12 "[* **-*** * + *.* *2]"
1 107 ASP 9.667 0.981 12 3 "[ * . 1*+ . 2]"
1 108 THR 3.593 0.221 5 0 "[ . 1 . 2]"
1 109 GLU 9.603 0.498 7 0 "[ . 1 . 2]"
1 110 ARG 4.302 0.544 2 1 "[ + . 1 . 2]"
1 111 VAL 2.410 0.229 10 0 "[ . 1 . 2]"
1 112 SER 0.740 0.151 4 0 "[ . 1 . 2]"
1 113 LEU 8.372 0.399 11 0 "[ . 1 . 2]"
1 114 PRO 6.967 0.802 3 1 "[ + . 1 . 2]"
1 115 GLU 7.668 0.850 20 3 "[ - . * . +]"
1 116 SER 2.897 0.893 13 2 "[ . -1 + . 2]"
1 117 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 78 VAL MG1 1 80 VAL H . . 4.610 4.145 3.665 4.618 0.008 13 0 "[ . 1 . 2]" 1
2 1 97 ASN H 1 101 LYS HA . . 4.430 3.372 3.105 3.905 . 0 0 "[ . 1 . 2]" 1
3 1 97 ASN H 1 99 VAL H . . 4.760 4.549 3.971 4.830 0.070 8 0 "[ . 1 . 2]" 1
4 1 18 PRO HG2 1 97 ASN H . . 4.800 3.933 3.498 4.481 . 0 0 "[ . 1 . 2]" 1
5 1 96 VAL MG2 1 97 ASN H . . 4.200 4.148 3.929 4.263 0.063 19 0 "[ . 1 . 2]" 1
6 1 70 SER H 1 71 VAL H . . 5.070 4.198 4.069 4.344 . 0 0 "[ . 1 . 2]" 1
7 1 85 PRO HA 1 113 LEU H . . 4.950 4.805 4.695 5.013 0.063 16 0 "[ . 1 . 2]" 1
8 1 52 ARG HB2 1 71 VAL H . . 4.720 1.953 1.834 2.135 . 0 0 "[ . 1 . 2]" 1
9 1 53 TYR HB2 1 71 VAL H . . 4.730 4.169 3.777 4.561 . 0 0 "[ . 1 . 2]" 1
10 1 86 ALA H 1 113 LEU H . . 4.760 3.983 3.748 4.240 . 0 0 "[ . 1 . 2]" 1
11 1 89 TYR QD 1 113 LEU H . . 4.600 3.422 2.782 3.750 . 0 0 "[ . 1 . 2]" 1
12 1 112 SER HA 1 113 LEU H . . 3.240 2.307 2.274 2.373 . 0 0 "[ . 1 . 2]" 1
13 1 112 SER QB 1 113 LEU H . . 4.080 3.373 3.002 3.654 . 0 0 "[ . 1 . 2]" 1
14 1 71 VAL H 1 71 VAL HB . . 4.000 2.469 2.363 2.537 . 0 0 "[ . 1 . 2]" 1
15 1 113 LEU H 1 113 LEU HB3 . . 3.950 3.081 3.008 3.209 . 0 0 "[ . 1 . 2]" 1
16 1 113 LEU H 1 113 LEU HB2 . . 3.610 2.147 2.023 2.220 . 0 0 "[ . 1 . 2]" 1
17 1 52 ARG HG3 1 71 VAL H . . 4.470 3.708 3.208 4.031 . 0 0 "[ . 1 . 2]" 1
18 1 55 LEU HB2 1 56 GLU H . . 4.670 4.312 4.071 4.543 . 0 0 "[ . 1 . 2]" 1
19 1 55 LEU H 1 55 LEU HB3 . . 3.910 2.342 2.187 2.716 . 0 0 "[ . 1 . 2]" 1
20 1 55 LEU H 1 68 LEU HB3 . . 4.800 3.349 2.837 3.719 . 0 0 "[ . 1 . 2]" 1
21 1 55 LEU H 1 55 LEU HB2 . . 3.610 2.823 2.355 3.174 . 0 0 "[ . 1 . 2]" 1
22 1 55 LEU H 1 68 LEU H . . 4.430 3.321 3.062 3.487 . 0 0 "[ . 1 . 2]" 1
23 1 45 ASP H 1 46 GLY H . . 4.640 4.408 2.980 4.614 . 0 0 "[ . 1 . 2]" 1
24 1 15 ARG H 1 15 ARG HB2 . . 3.770 2.194 2.078 2.472 . 0 0 "[ . 1 . 2]" 1
25 1 15 ARG H 1 15 ARG HB3 . . 3.870 3.449 3.325 3.578 . 0 0 "[ . 1 . 2]" 1
26 1 37 ASN HB2 1 38 LEU H . . 4.970 4.640 4.456 4.711 . 0 0 "[ . 1 . 2]" 1
27 1 65 THR HA 1 66 VAL H . . 3.190 2.158 2.149 2.187 . 0 0 "[ . 1 . 2]" 1
28 1 66 VAL H 1 66 VAL HB . . 3.430 2.419 2.289 2.680 . 0 0 "[ . 1 . 2]" 1
29 1 65 THR MG 1 66 VAL H . . 4.010 3.857 3.712 4.198 0.188 20 0 "[ . 1 . 2]" 1
30 1 54 ILE MG 1 66 VAL H . . 4.980 4.973 4.741 5.027 0.047 12 0 "[ . 1 . 2]" 1
31 1 66 VAL H 1 66 VAL QG . . 2.970 2.067 1.889 2.309 . 0 0 "[ . 1 . 2]" 1
32 1 36 ILE HB 1 37 ASN H . . 4.680 4.149 3.861 4.297 . 0 0 "[ . 1 . 2]" 1
33 1 40 TRP HE1 1 53 TYR QE . . 4.220 3.183 2.113 3.750 . 0 0 "[ . 1 . 2]" 1
34 1 40 TRP HE1 1 42 LYS HA . . 4.670 4.350 4.094 4.639 . 0 0 "[ . 1 . 2]" 1
35 1 40 TRP HE1 1 76 THR HA . . 3.960 2.605 2.390 2.741 . 0 0 "[ . 1 . 2]" 1
36 1 109 GLU H 1 110 ARG H . . 4.710 4.523 4.423 4.590 . 0 0 "[ . 1 . 2]" 1
37 1 110 ARG H 1 110 ARG HB2 . . 3.600 2.115 2.080 2.163 . 0 0 "[ . 1 . 2]" 1
38 1 110 ARG H 1 110 ARG QG . . 4.090 3.602 3.225 3.733 . 0 0 "[ . 1 . 2]" 1
39 1 24 PRO HB2 1 25 VAL H . . 4.550 4.304 4.044 4.391 . 0 0 "[ . 1 . 2]" 1
40 1 72 ASP HB3 1 75 ALA H . . 4.280 2.613 2.028 3.075 . 0 0 "[ . 1 . 2]" 1
41 1 74 LYS HB3 1 75 ALA H . . 4.500 4.424 4.176 4.601 0.101 18 0 "[ . 1 . 2]" 1
42 1 64 TRP H 1 65 THR H . . 4.970 4.427 4.390 4.510 . 0 0 "[ . 1 . 2]" 1
43 1 64 TRP H 1 64 TRP HB3 . . 4.020 3.552 3.547 3.558 . 0 0 "[ . 1 . 2]" 1
44 1 64 TRP H 1 64 TRP HB2 . . 3.590 2.583 2.444 2.672 . 0 0 "[ . 1 . 2]" 1
45 1 63 PRO HB2 1 64 TRP H . . 4.220 3.301 3.226 3.468 . 0 0 "[ . 1 . 2]" 1
46 1 63 PRO HB3 1 64 TRP H . . 4.610 3.733 3.686 3.841 . 0 0 "[ . 1 . 2]" 1
47 1 89 TYR H 1 111 VAL H . . 4.220 3.341 2.911 3.746 . 0 0 "[ . 1 . 2]" 1
48 1 90 GLN HG2 1 111 VAL H . . 4.800 3.933 3.136 4.569 . 0 0 "[ . 1 . 2]" 1
49 1 110 ARG HB3 1 111 VAL H . . 4.630 4.277 4.107 4.370 . 0 0 "[ . 1 . 2]" 1
50 1 110 ARG QG 1 111 VAL H . . 5.080 3.393 3.060 3.738 . 0 0 "[ . 1 . 2]" 1
51 1 15 ARG HB2 1 16 GLN H . . 4.710 4.652 4.523 4.708 . 0 0 "[ . 1 . 2]" 1
52 1 15 ARG HB3 1 16 GLN H . . 4.270 4.123 4.021 4.306 0.036 13 0 "[ . 1 . 2]" 1
53 1 74 LYS H 1 75 ALA H . . 3.420 2.559 2.339 2.968 . 0 0 "[ . 1 . 2]" 1
54 1 74 LYS H 1 74 LYS HB3 . . 3.680 3.561 3.376 3.677 . 0 0 "[ . 1 . 2]" 1
55 1 74 LYS H 1 74 LYS HG3 . . 3.890 3.029 2.571 4.107 0.217 4 0 "[ . 1 . 2]" 1
56 1 19 HIS QB 1 20 ALA H . . 3.660 2.720 2.546 2.828 . 0 0 "[ . 1 . 2]" 1
57 1 61 ASN H 1 62 ALA H . . 3.720 2.678 2.217 3.130 . 0 0 "[ . 1 . 2]" 1
58 1 58 SER HG 1 62 ALA H . . 3.650 2.939 2.229 3.292 . 0 0 "[ . 1 . 2]" 1
59 1 58 SER HA 1 62 ALA H . . 4.710 4.449 4.172 4.713 0.003 4 0 "[ . 1 . 2]" 1
60 1 60 ASN HA 1 62 ALA H . . 4.880 3.966 3.625 4.676 . 0 0 "[ . 1 . 2]" 1
61 1 62 ALA H 1 63 PRO HD2 . . 4.920 5.008 4.995 5.021 0.101 15 0 "[ . 1 . 2]" 1
62 1 32 GLU HB3 1 33 ARG H . . 3.780 3.504 2.676 3.822 0.042 3 0 "[ . 1 . 2]" 1
63 1 33 ARG H 1 33 ARG HG2 . . 3.720 2.758 1.973 4.234 0.514 7 1 "[ . + 1 . 2]" 1
64 1 12 LEU H 1 12 LEU HG . . 4.570 3.697 2.519 4.522 . 0 0 "[ . 1 . 2]" 1
65 1 14 VAL H 1 47 ASN HD21 . . 4.500 2.196 1.905 3.118 . 0 0 "[ . 1 . 2]" 1
66 1 14 VAL H 1 14 VAL HB . . 3.500 2.659 2.378 3.532 0.032 19 0 "[ . 1 . 2]" 1
67 1 22 GLU H 1 41 THR H . . 4.090 2.760 2.515 3.022 . 0 0 "[ . 1 . 2]" 1
68 1 21 PRO HA 1 22 GLU H . . 3.390 2.235 2.149 2.396 . 0 0 "[ . 1 . 2]" 1
69 1 22 GLU H 1 43 PRO HD3 . . 4.920 3.922 3.685 4.217 . 0 0 "[ . 1 . 2]" 1
70 1 22 GLU H 1 22 GLU HG2 . . 4.130 3.869 3.104 4.143 0.013 16 0 "[ . 1 . 2]" 1
71 1 22 GLU H 1 43 PRO HB3 . . 4.900 3.958 3.665 4.256 . 0 0 "[ . 1 . 2]" 1
72 1 22 GLU H 1 22 GLU HB3 . . 3.500 3.439 3.339 3.624 0.124 12 0 "[ . 1 . 2]" 1
73 1 29 SER HB2 1 32 GLU H . . 4.700 3.527 1.954 4.055 . 0 0 "[ . 1 . 2]" 1
74 1 32 GLU H 1 35 ALA MB . . 4.930 3.642 3.062 4.114 . 0 0 "[ . 1 . 2]" 1
75 1 111 VAL H 1 112 SER H . . 4.820 4.455 4.331 4.549 . 0 0 "[ . 1 . 2]" 1
76 1 111 VAL HB 1 112 SER H . . 4.360 4.322 4.102 4.431 0.071 2 0 "[ . 1 . 2]" 1
77 1 111 VAL QG 1 112 SER H . . 3.540 2.816 2.489 3.118 . 0 0 "[ . 1 . 2]" 1
78 1 36 ILE H 1 80 VAL H . . 4.180 2.577 2.287 2.829 . 0 0 "[ . 1 . 2]" 1
79 1 36 ILE H 1 36 ILE HG13 . . 4.640 3.007 2.728 3.356 . 0 0 "[ . 1 . 2]" 1
80 1 83 LEU HB3 1 84 VAL H . . 4.160 2.509 2.088 2.869 . 0 0 "[ . 1 . 2]" 1
81 1 89 TYR H 1 89 TYR QD . . 4.180 3.694 3.296 3.872 . 0 0 "[ . 1 . 2]" 1
82 1 89 TYR H 1 90 GLN H . . 4.810 4.249 4.114 4.367 . 0 0 "[ . 1 . 2]" 1
83 1 89 TYR H 1 89 TYR HB2 . . 3.980 2.532 2.476 2.574 . 0 0 "[ . 1 . 2]" 1
84 1 100 GLY HA3 1 101 LYS H . . 3.280 2.390 2.221 2.665 . 0 0 "[ . 1 . 2]" 1
85 1 101 LYS H 1 101 LYS HB2 . . 3.520 2.928 2.339 3.321 . 0 0 "[ . 1 . 2]" 1
86 1 101 LYS H 1 101 LYS QD . . 4.660 4.553 4.509 4.634 . 0 0 "[ . 1 . 2]" 1
87 1 98 ASP H 1 99 VAL H . . 4.180 2.909 2.580 3.119 . 0 0 "[ . 1 . 2]" 1
88 1 108 THR HG1 1 109 GLU H . . 4.570 4.251 3.522 4.588 0.018 2 0 "[ . 1 . 2]" 1
89 1 108 THR HB 1 109 GLU H . . 3.630 2.800 2.240 3.158 . 0 0 "[ . 1 . 2]" 1
90 1 109 GLU H 1 109 GLU HG3 . . 4.320 3.593 3.116 4.347 0.027 19 0 "[ . 1 . 2]" 1
91 1 109 GLU H 1 109 GLU HB3 . . 3.450 3.046 2.056 3.418 . 0 0 "[ . 1 . 2]" 1
92 1 100 GLY H 1 101 LYS H . . 4.740 4.326 4.175 4.399 . 0 0 "[ . 1 . 2]" 1
93 1 99 VAL H 1 99 VAL HB . . 3.680 3.080 2.485 3.517 . 0 0 "[ . 1 . 2]" 1
94 1 34 ARG HB3 1 83 LEU H . . 4.590 2.255 1.927 3.307 . 0 0 "[ . 1 . 2]" 1
95 1 93 LEU H 1 105 SER HG . . 4.010 2.689 2.458 2.844 . 0 0 "[ . 1 . 2]" 1
96 1 93 LEU H 1 105 SER HB2 . . 4.700 4.668 4.517 4.753 0.053 11 0 "[ . 1 . 2]" 1
97 1 92 ARG HB3 1 93 LEU H . . 4.590 4.390 4.330 4.477 . 0 0 "[ . 1 . 2]" 1
98 1 92 ARG HB2 1 93 LEU H . . 4.470 3.746 3.580 3.883 . 0 0 "[ . 1 . 2]" 1
99 1 51 ILE H 1 97 ASN HA . . 4.240 2.128 1.916 2.445 . 0 0 "[ . 1 . 2]" 1
100 1 50 LEU HB3 1 51 ILE H . . 4.380 2.850 2.417 3.148 . 0 0 "[ . 1 . 2]" 1
101 1 89 TYR QD 1 90 GLN H . . 4.690 3.582 3.251 3.918 . 0 0 "[ . 1 . 2]" 1
102 1 58 SER H 1 90 GLN H . . 4.120 2.507 2.298 2.779 . 0 0 "[ . 1 . 2]" 1
103 1 89 TYR HB3 1 90 GLN H . . 4.160 3.407 3.029 3.673 . 0 0 "[ . 1 . 2]" 1
104 1 90 GLN H 1 90 GLN HG3 . . 4.670 3.517 3.108 4.349 . 0 0 "[ . 1 . 2]" 1
105 1 58 SER H 1 64 TRP HZ3 . . 4.310 2.942 2.288 3.217 . 0 0 "[ . 1 . 2]" 1
106 1 57 MET HB3 1 58 SER H . . 4.440 4.119 4.006 4.224 . 0 0 "[ . 1 . 2]" 1
107 1 104 PHE H 1 104 PHE QD . . 4.200 2.053 1.921 2.428 . 0 0 "[ . 1 . 2]" 1
108 1 104 PHE H 1 104 PHE HB3 . . 4.070 3.511 3.469 3.555 . 0 0 "[ . 1 . 2]" 1
109 1 104 PHE H 1 104 PHE HB2 . . 3.610 2.272 2.179 2.330 . 0 0 "[ . 1 . 2]" 1
110 1 103 GLN QG 1 104 PHE H . . 4.230 3.711 2.575 4.103 . 0 0 "[ . 1 . 2]" 1
111 1 17 LEU H 1 17 LEU HG . . 3.480 2.930 2.426 3.824 0.344 14 0 "[ . 1 . 2]" 1
112 1 50 LEU H 1 50 LEU HG . . 3.860 2.232 1.956 3.509 . 0 0 "[ . 1 . 2]" 1
113 1 50 LEU H 1 50 LEU HB2 . . 3.870 2.539 2.371 2.817 . 0 0 "[ . 1 . 2]" 1
114 1 44 PHE H 1 44 PHE QD . . 4.660 3.987 3.797 4.066 . 0 0 "[ . 1 . 2]" 1
115 1 53 TYR QD 1 54 ILE H . . 4.810 4.082 3.293 4.409 . 0 0 "[ . 1 . 2]" 1
116 1 54 ILE H 1 95 ALA HA . . 4.850 4.715 4.214 4.863 0.013 18 0 "[ . 1 . 2]" 1
117 1 53 TYR HB3 1 54 ILE H . . 3.940 3.349 2.934 3.596 . 0 0 "[ . 1 . 2]" 1
118 1 53 TYR HB2 1 54 ILE H . . 4.500 4.391 4.138 4.525 0.025 16 0 "[ . 1 . 2]" 1
119 1 54 ILE H 1 54 ILE HG13 . . 4.390 2.549 2.058 3.974 . 0 0 "[ . 1 . 2]" 1
120 1 54 ILE H 1 54 ILE HG12 . . 4.620 3.627 2.570 3.900 . 0 0 "[ . 1 . 2]" 1
121 1 54 ILE H 1 96 VAL MG2 . . 4.260 2.851 2.582 3.364 . 0 0 "[ . 1 . 2]" 1
122 1 86 ALA H 1 87 ARG H . . 3.930 2.680 2.446 2.998 . 0 0 "[ . 1 . 2]" 1
123 1 86 ALA H 1 113 LEU HB3 . . 4.010 2.500 2.293 2.727 . 0 0 "[ . 1 . 2]" 1
124 1 86 ALA H 1 113 LEU HB2 . . 4.190 3.816 3.429 4.134 . 0 0 "[ . 1 . 2]" 1
125 1 44 PHE H 1 44 PHE HB3 . . 3.720 2.186 2.002 2.309 . 0 0 "[ . 1 . 2]" 1
126 1 43 PRO HB2 1 44 PHE H . . 4.350 2.583 2.481 3.192 . 0 0 "[ . 1 . 2]" 1
127 1 54 ILE H 1 94 CYS H . . 4.010 2.722 2.515 3.061 . 0 0 "[ . 1 . 2]" 1
128 1 93 LEU HG 1 94 CYS H . . 4.430 3.947 3.662 4.199 . 0 0 "[ . 1 . 2]" 1
129 1 54 ILE HB 1 94 CYS H . . 4.750 3.619 3.366 3.790 . 0 0 "[ . 1 . 2]" 1
130 1 57 MET H 1 67 LEU H . . 4.590 3.262 2.943 3.747 . 0 0 "[ . 1 . 2]" 1
131 1 57 MET H 1 57 MET HG3 . . 4.380 4.626 4.547 4.780 0.400 19 0 "[ . 1 . 2]" 1
132 1 57 MET H 1 57 MET HB2 . . 3.980 2.939 2.732 3.213 . 0 0 "[ . 1 . 2]" 1
133 1 56 GLU HB2 1 57 MET H . . 4.460 4.425 4.151 4.585 0.125 10 0 "[ . 1 . 2]" 1
134 1 19 HIS H 1 19 HIS QB . . 3.920 2.269 2.001 2.426 . 0 0 "[ . 1 . 2]" 1
135 1 18 PRO HB3 1 19 HIS H . . 4.010 3.457 3.121 4.123 0.113 1 0 "[ . 1 . 2]" 1
136 1 19 HIS H 1 19 HIS HD2 . . 4.480 3.562 2.548 4.206 . 0 0 "[ . 1 . 2]" 1
137 1 52 ARG H 1 96 VAL H . . 4.490 3.389 3.242 3.627 . 0 0 "[ . 1 . 2]" 1
138 1 95 ALA HA 1 96 VAL H . . 3.420 2.199 2.187 2.263 . 0 0 "[ . 1 . 2]" 1
139 1 96 VAL H 1 96 VAL HB . . 3.910 2.624 2.440 2.821 . 0 0 "[ . 1 . 2]" 1
140 1 87 ARG H 1 89 TYR QE . . 4.410 4.262 3.723 4.458 0.048 2 0 "[ . 1 . 2]" 1
141 1 85 PRO HA 1 87 ARG H . . 4.550 3.748 3.658 3.923 . 0 0 "[ . 1 . 2]" 1
142 1 87 ARG H 1 87 ARG HB2 . . 3.800 2.790 2.729 2.859 . 0 0 "[ . 1 . 2]" 1
143 1 87 ARG H 1 113 LEU HB2 . . 4.370 2.859 2.028 3.390 . 0 0 "[ . 1 . 2]" 1
144 1 87 ARG H 1 87 ARG HG3 . . 3.880 3.881 3.701 3.949 0.069 17 0 "[ . 1 . 2]" 1
145 1 87 ARG H 1 87 ARG HG2 . . 4.420 4.270 4.038 4.398 . 0 0 "[ . 1 . 2]" 1
146 1 105 SER HG 1 106 LYS H . . 4.320 4.338 4.290 4.380 0.060 14 0 "[ . 1 . 2]" 1
147 1 105 SER HB3 1 106 LYS H . . 4.290 3.699 3.492 3.989 . 0 0 "[ . 1 . 2]" 1
148 1 24 PRO HG3 1 106 LYS H . . 4.640 3.140 2.883 3.632 . 0 0 "[ . 1 . 2]" 1
149 1 20 ALA MB 1 106 LYS H . . 4.310 4.386 4.338 4.428 0.118 20 0 "[ . 1 . 2]" 1
150 1 91 PHE H 1 91 PHE QD . . 4.310 3.568 3.053 3.886 . 0 0 "[ . 1 . 2]" 1
151 1 91 PHE H 1 108 THR HG1 . . 4.040 2.403 1.960 3.078 . 0 0 "[ . 1 . 2]" 1
152 1 90 GLN HB3 1 91 PHE H . . 4.580 2.844 2.429 3.508 . 0 0 "[ . 1 . 2]" 1
153 1 38 LEU H 1 78 VAL H . . 3.820 2.855 2.708 2.988 . 0 0 "[ . 1 . 2]" 1
154 1 77 SER H 1 78 VAL H . . 4.790 4.380 4.317 4.425 . 0 0 "[ . 1 . 2]" 1
155 1 40 TRP HZ3 1 78 VAL H . . 4.370 2.396 2.093 2.658 . 0 0 "[ . 1 . 2]" 1
156 1 40 TRP HH2 1 78 VAL H . . 4.760 3.678 3.315 3.929 . 0 0 "[ . 1 . 2]" 1
157 1 37 ASN HA 1 78 VAL H . . 4.660 4.694 4.663 4.730 0.070 3 0 "[ . 1 . 2]" 1
158 1 39 THR HA 1 78 VAL H . . 4.290 3.958 3.674 4.207 . 0 0 "[ . 1 . 2]" 1
159 1 77 SER HA 1 78 VAL H . . 3.220 2.379 2.316 2.515 . 0 0 "[ . 1 . 2]" 1
160 1 38 LEU HB3 1 78 VAL H . . 4.090 2.431 2.177 2.694 . 0 0 "[ . 1 . 2]" 1
161 1 39 THR MG 1 78 VAL H . . 4.250 3.960 3.671 4.240 . 0 0 "[ . 1 . 2]" 1
162 1 29 SER H 1 37 ASN H . . 4.360 4.183 3.797 4.386 0.026 8 0 "[ . 1 . 2]" 1
163 1 28 LEU HB3 1 29 SER H . . 4.190 2.539 2.215 2.913 . 0 0 "[ . 1 . 2]" 1
164 1 34 ARG H 1 35 ALA H . . 3.680 2.862 2.547 3.678 . 0 0 "[ . 1 . 2]" 1
165 1 35 ALA H 1 36 ILE H . . 4.720 4.357 4.134 4.480 . 0 0 "[ . 1 . 2]" 1
166 1 39 THR HA 1 40 TRP H . . 3.030 2.164 2.152 2.198 . 0 0 "[ . 1 . 2]" 1
167 1 40 TRP H 1 77 SER HA . . 4.090 3.317 3.177 3.425 . 0 0 "[ . 1 . 2]" 1
168 1 40 TRP H 1 76 THR MG . . 4.900 4.555 4.283 4.896 . 0 0 "[ . 1 . 2]" 1
169 1 64 TRP HE3 1 65 THR H . . 4.500 3.572 3.150 3.830 . 0 0 "[ . 1 . 2]" 1
170 1 64 TRP HB3 1 65 THR H . . 4.320 3.716 3.543 3.787 . 0 0 "[ . 1 . 2]" 1
171 1 64 TRP HB2 1 65 THR H . . 4.680 4.441 4.374 4.513 . 0 0 "[ . 1 . 2]" 1
172 1 56 GLU HB3 1 65 THR H . . 4.780 3.451 3.019 3.891 . 0 0 "[ . 1 . 2]" 1
173 1 40 TRP H 1 40 TRP HE3 . . 4.350 2.823 2.644 3.055 . 0 0 "[ . 1 . 2]" 1
174 1 33 ARG HB2 1 34 ARG H . . 4.320 4.130 2.016 4.452 0.132 12 0 "[ . 1 . 2]" 1
175 1 34 ARG H 1 34 ARG HG3 . . 4.640 3.274 2.642 4.115 . 0 0 "[ . 1 . 2]" 1
176 1 34 ARG H 1 34 ARG HG2 . . 4.820 3.132 2.379 4.613 . 0 0 "[ . 1 . 2]" 1
177 1 67 LEU H 1 68 LEU H . . 3.940 2.564 2.468 2.703 . 0 0 "[ . 1 . 2]" 1
178 1 55 LEU HB3 1 68 LEU H . . 4.390 2.909 2.179 3.158 . 0 0 "[ . 1 . 2]" 1
179 1 68 LEU H 1 68 LEU HB3 . . 3.970 3.189 3.067 3.330 . 0 0 "[ . 1 . 2]" 1
180 1 67 LEU HB3 1 68 LEU H . . 4.080 2.716 2.248 3.608 . 0 0 "[ . 1 . 2]" 1
181 1 67 LEU QD 1 68 LEU H . . 4.640 3.850 3.130 4.121 . 0 0 "[ . 1 . 2]" 1
182 1 68 LEU H 1 68 LEU MD2 . . 4.360 4.319 4.241 4.405 0.045 16 0 "[ . 1 . 2]" 1
183 1 103 GLN H 1 103 GLN QG . . 3.650 2.268 1.910 3.581 . 0 0 "[ . 1 . 2]" 1
184 1 27 THR H 1 27 THR MG . . 4.190 3.290 3.096 3.517 . 0 0 "[ . 1 . 2]" 1
185 1 22 GLU HB3 1 41 THR H . . 4.650 4.348 4.134 4.935 0.285 20 0 "[ . 1 . 2]" 1
186 1 40 TRP HD1 1 41 THR H . . 4.810 3.287 3.058 3.536 . 0 0 "[ . 1 . 2]" 1
187 1 40 TRP HB2 1 41 THR H . . 4.130 2.236 2.049 2.434 . 0 0 "[ . 1 . 2]" 1
188 1 40 TRP HB3 1 41 THR H . . 3.860 3.704 3.579 3.837 . 0 0 "[ . 1 . 2]" 1
189 1 56 GLU H 1 92 ARG H . . 4.350 2.919 2.669 3.220 . 0 0 "[ . 1 . 2]" 1
190 1 91 PHE QD 1 92 ARG H . . 4.690 3.629 3.403 3.776 . 0 0 "[ . 1 . 2]" 1
191 1 64 TRP HZ3 1 92 ARG H . . 4.330 4.304 3.856 4.408 0.078 10 0 "[ . 1 . 2]" 1
192 1 91 PHE HB3 1 92 ARG H . . 4.130 2.984 2.652 3.260 . 0 0 "[ . 1 . 2]" 1
193 1 91 PHE HB2 1 92 ARG H . . 4.560 4.089 3.791 4.257 . 0 0 "[ . 1 . 2]" 1
194 1 92 ARG H 1 92 ARG HG3 . . 4.660 2.637 2.464 2.812 . 0 0 "[ . 1 . 2]" 1
195 1 25 VAL H 1 39 THR H . . 3.970 3.524 2.865 3.860 . 0 0 "[ . 1 . 2]" 1
196 1 38 LEU H 1 39 THR H . . 4.910 4.515 4.384 4.591 . 0 0 "[ . 1 . 2]" 1
197 1 39 THR H 1 40 TRP H . . 4.860 4.220 4.114 4.355 . 0 0 "[ . 1 . 2]" 1
198 1 39 THR H 1 40 TRP HE3 . . 4.870 3.409 3.203 3.610 . 0 0 "[ . 1 . 2]" 1
199 1 39 THR H 1 39 THR HG1 . . 4.010 3.100 2.099 3.704 . 0 0 "[ . 1 . 2]" 1
200 1 25 VAL HB 1 39 THR H . . 4.540 4.167 3.603 4.946 0.406 18 0 "[ . 1 . 2]" 1
201 1 38 LEU HB3 1 39 THR H . . 3.980 3.898 3.758 4.170 0.190 18 0 "[ . 1 . 2]" 1
202 1 38 LEU HG 1 39 THR H . . 4.880 3.806 2.264 4.845 . 0 0 "[ . 1 . 2]" 1
203 1 25 VAL QG 1 39 THR H . . 5.040 3.698 1.921 4.498 . 0 0 "[ . 1 . 2]" 1
204 1 60 ASN HD22 1 88 SER H . . 4.790 2.293 1.879 3.621 . 0 0 "[ . 1 . 2]" 1
205 1 87 ARG HB3 1 88 SER H . . 4.040 2.987 2.841 3.100 . 0 0 "[ . 1 . 2]" 1
206 1 48 SER H 1 48 SER HB3 . . 4.170 3.115 2.598 3.385 . 0 0 "[ . 1 . 2]" 1
207 1 47 ASN H 1 48 SER H . . 3.480 2.231 1.821 3.569 0.089 1 0 "[ . 1 . 2]" 1
208 1 48 SER H 1 97 ASN HD21 . . 4.310 3.530 3.033 3.774 . 0 0 "[ . 1 . 2]" 1
209 1 45 ASP QB 1 48 SER H . . 4.490 3.467 2.652 4.394 . 0 0 "[ . 1 . 2]" 1
210 1 47 ASN HB3 1 48 SER H . . 4.820 3.578 2.585 4.541 . 0 0 "[ . 1 . 2]" 1
211 1 93 LEU H 1 105 SER H . . 4.180 3.306 2.905 3.521 . 0 0 "[ . 1 . 2]" 1
212 1 104 PHE QD 1 105 SER H . . 4.690 3.978 3.370 4.339 . 0 0 "[ . 1 . 2]" 1
213 1 105 SER H 1 105 SER HG . . 4.650 2.949 2.680 3.103 . 0 0 "[ . 1 . 2]" 1
214 1 21 PRO HD3 1 105 SER H . . 4.640 3.668 3.281 4.157 . 0 0 "[ . 1 . 2]" 1
215 1 21 PRO HD2 1 105 SER H . . 4.740 2.566 2.176 3.031 . 0 0 "[ . 1 . 2]" 1
216 1 104 PHE HB3 1 105 SER H . . 4.610 2.653 2.067 3.073 . 0 0 "[ . 1 . 2]" 1
217 1 104 PHE HB2 1 105 SER H . . 4.880 3.826 3.311 4.191 . 0 0 "[ . 1 . 2]" 1
218 1 94 CYS HB3 1 105 SER H . . 5.000 4.233 4.135 4.335 . 0 0 "[ . 1 . 2]" 1
219 1 53 TYR H 1 53 TYR QD . . 4.450 3.208 2.867 3.709 . 0 0 "[ . 1 . 2]" 1
220 1 53 TYR H 1 70 SER HA . . 4.750 4.211 3.798 4.473 . 0 0 "[ . 1 . 2]" 1
221 1 53 TYR H 1 71 VAL HB . . 4.130 2.053 1.947 2.286 . 0 0 "[ . 1 . 2]" 1
222 1 52 ARG HB3 1 53 TYR H . . 4.180 3.719 3.490 3.903 . 0 0 "[ . 1 . 2]" 1
223 1 76 THR H 1 77 SER H . . 3.140 2.042 1.916 2.339 . 0 0 "[ . 1 . 2]" 1
224 1 91 PHE H 1 108 THR H . . 3.940 3.020 2.798 3.433 . 0 0 "[ . 1 . 2]" 1
225 1 108 THR H 1 108 THR HG1 . . 4.640 2.983 1.933 3.256 . 0 0 "[ . 1 . 2]" 1
226 1 91 PHE HB2 1 108 THR H . . 4.110 4.051 3.858 4.159 0.049 5 0 "[ . 1 . 2]" 1
227 1 96 VAL HA 1 102 GLY H . . 4.420 3.337 2.440 3.621 . 0 0 "[ . 1 . 2]" 1
228 1 102 GLY H 1 103 GLN H . . 4.740 3.580 3.209 4.268 . 0 0 "[ . 1 . 2]" 1
229 1 51 ILE H 1 52 ARG H . . 3.360 2.235 2.059 2.404 . 0 0 "[ . 1 . 2]" 1
230 1 52 ARG H 1 96 VAL HB . . 4.220 2.911 2.607 3.144 . 0 0 "[ . 1 . 2]" 1
231 1 51 ILE HB 1 52 ARG H . . 3.970 2.612 2.437 2.845 . 0 0 "[ . 1 . 2]" 1
232 1 52 ARG H 1 52 ARG HG2 . . 4.540 2.741 2.590 2.943 . 0 0 "[ . 1 . 2]" 1
233 1 50 LEU HB3 1 52 ARG H . . 4.300 3.871 3.507 4.257 . 0 0 "[ . 1 . 2]" 1
234 1 52 ARG H 1 96 VAL MG2 . . 4.470 4.401 4.084 4.561 0.091 13 0 "[ . 1 . 2]" 1
235 1 60 ASN H 1 61 ASN H . . 4.280 4.192 2.945 4.386 0.106 15 0 "[ . 1 . 2]" 1
236 1 58 SER HG 1 61 ASN H . . 4.820 4.389 3.957 4.886 0.066 19 0 "[ . 1 . 2]" 1
237 1 47 ASN H 1 47 ASN HD21 . . 5.500 5.052 3.982 5.654 0.154 5 0 "[ . 1 . 2]" 1
238 1 44 PHE QE 1 47 ASN H . . 4.970 4.357 2.766 5.026 0.056 17 0 "[ . 1 . 2]" 1
239 1 46 GLY H 1 47 ASN H . . 3.770 3.139 2.311 3.815 0.045 12 0 "[ . 1 . 2]" 1
240 1 42 LYS H 1 42 LYS HB2 . . 3.850 2.325 2.227 2.504 . 0 0 "[ . 1 . 2]" 1
241 1 42 LYS H 1 42 LYS HB3 . . 3.580 2.731 2.545 2.842 . 0 0 "[ . 1 . 2]" 1
242 1 42 LYS H 1 42 LYS HG2 . . 4.450 4.273 4.170 4.372 . 0 0 "[ . 1 . 2]" 1
243 1 25 VAL QG 1 26 ALA H . . 3.210 2.538 2.047 3.089 . 0 0 "[ . 1 . 2]" 1
244 1 99 VAL HB 1 100 GLY H . . 3.790 3.189 2.143 4.007 0.217 16 0 "[ . 1 . 2]" 1
245 1 97 ASN H 1 100 GLY H . . 4.030 2.778 2.591 2.902 . 0 0 "[ . 1 . 2]" 1
246 1 17 LEU QD 1 100 GLY H . . 3.860 2.959 2.328 3.363 . 0 0 "[ . 1 . 2]" 1
247 1 82 GLY H 1 83 LEU H . . 4.400 2.582 2.048 3.004 . 0 0 "[ . 1 . 2]" 1
248 1 60 ASN H 1 88 SER H . . 4.500 4.430 4.075 4.543 0.043 5 0 "[ . 1 . 2]" 1
249 1 11 HIS HB3 1 12 LEU H . . 5.270 3.119 2.074 4.586 . 0 0 "[ . 1 . 2]" 1
250 1 13 ARG H 1 14 VAL H . . 5.460 4.497 4.145 4.675 . 0 0 "[ . 1 . 2]" 1
251 1 13 ARG H 1 13 ARG HG2 . . 4.960 4.053 3.711 5.085 0.125 4 0 "[ . 1 . 2]" 1
252 1 14 VAL H 1 47 ASN HD22 . . 4.620 2.299 1.884 4.313 . 0 0 "[ . 1 . 2]" 1
253 1 14 VAL H 1 15 ARG H . . 4.500 4.468 4.397 4.540 0.040 8 0 "[ . 1 . 2]" 1
254 1 15 ARG H 1 15 ARG HD2 . . 5.240 4.602 4.012 5.173 . 0 0 "[ . 1 . 2]" 1
255 1 15 ARG H 1 16 GLN H . . 4.920 4.126 3.896 4.263 . 0 0 "[ . 1 . 2]" 1
256 1 16 GLN H 1 17 LEU H . . 5.400 4.566 4.459 4.605 . 0 0 "[ . 1 . 2]" 1
257 1 14 VAL HA 1 16 GLN H . . 5.290 5.156 4.705 5.330 0.040 5 0 "[ . 1 . 2]" 1
258 1 19 HIS H 1 44 PHE HB3 . . 4.950 4.219 3.005 4.956 0.006 3 0 "[ . 1 . 2]" 1
259 1 19 HIS H 1 43 PRO HB3 . . 4.970 4.413 3.911 4.865 . 0 0 "[ . 1 . 2]" 1
260 1 19 HIS H 1 44 PHE QD . . 5.240 4.281 2.995 4.848 . 0 0 "[ . 1 . 2]" 1
261 1 19 HIS H 1 20 ALA H . . 4.970 4.562 4.475 4.660 . 0 0 "[ . 1 . 2]" 1
262 1 19 HIS HD2 1 20 ALA H . . 5.160 4.820 4.128 5.163 0.003 4 0 "[ . 1 . 2]" 1
263 1 22 GLU H 1 40 TRP HD1 . . 5.170 3.906 3.679 4.063 . 0 0 "[ . 1 . 2]" 1
264 1 25 VAL H 1 26 ALA H . . 4.930 4.534 4.458 4.573 . 0 0 "[ . 1 . 2]" 1
265 1 25 VAL H 1 40 TRP HB2 . . 5.150 4.933 4.745 5.036 . 0 0 "[ . 1 . 2]" 1
266 1 25 VAL H 1 40 TRP HB3 . . 5.370 4.037 3.738 4.258 . 0 0 "[ . 1 . 2]" 1
267 1 27 THR H 1 37 ASN H . . 4.140 3.440 3.119 3.804 . 0 0 "[ . 1 . 2]" 1
268 1 26 ALA H 1 27 THR H . . 5.140 4.060 3.857 4.337 . 0 0 "[ . 1 . 2]" 1
269 1 27 THR H 1 39 THR H . . 5.190 4.633 4.274 4.946 . 0 0 "[ . 1 . 2]" 1
270 1 27 THR H 1 37 ASN HB2 . . 5.010 4.049 3.723 4.208 . 0 0 "[ . 1 . 2]" 1
271 1 25 VAL QG 1 27 THR H . . 4.940 3.975 3.374 4.588 . 0 0 "[ . 1 . 2]" 1
272 1 27 THR H 1 39 THR MG . . 5.170 4.112 3.693 4.709 . 0 0 "[ . 1 . 2]" 1
273 1 27 THR H 1 36 ILE HA . . 5.150 5.177 4.949 5.249 0.099 12 0 "[ . 1 . 2]" 1
274 1 28 LEU H 1 29 SER H . . 5.030 4.622 4.575 4.659 . 0 0 "[ . 1 . 2]" 1
275 1 29 SER H 1 36 ILE HG12 . . 5.050 4.053 3.705 4.462 . 0 0 "[ . 1 . 2]" 1
276 1 30 THR H 1 31 VAL H . . 5.110 2.939 2.569 3.660 . 0 0 "[ . 1 . 2]" 1
277 1 31 VAL H 1 32 GLU H . . 3.560 2.063 1.883 2.566 . 0 0 "[ . 1 . 2]" 1
278 1 29 SER HB3 1 32 GLU H . . 5.090 2.238 1.900 3.624 . 0 0 "[ . 1 . 2]" 1
279 1 32 GLU H 1 33 ARG H . . 5.220 4.493 4.326 4.613 . 0 0 "[ . 1 . 2]" 1
280 1 33 ARG H 1 34 ARG H . . 5.430 4.584 4.168 4.655 . 0 0 "[ . 1 . 2]" 1
281 1 40 TRP H 1 41 THR H . . 5.000 4.383 4.336 4.423 . 0 0 "[ . 1 . 2]" 1
282 1 19 HIS QB 1 44 PHE H . . 4.450 2.887 1.925 4.078 . 0 0 "[ . 1 . 2]" 1
283 1 48 SER H 1 97 ASN HD22 . . 4.690 4.419 3.770 4.734 0.044 15 0 "[ . 1 . 2]" 1
284 1 46 GLY H 1 48 SER H . . 4.890 4.029 3.144 4.738 . 0 0 "[ . 1 . 2]" 1
285 1 55 LEU H 1 56 GLU H . . 5.380 4.434 4.289 4.527 . 0 0 "[ . 1 . 2]" 1
286 1 61 ASN H 1 62 ALA MB . . 5.150 4.094 3.435 4.493 . 0 0 "[ . 1 . 2]" 1
287 1 62 ALA H 1 63 PRO HD3 . . 5.080 4.741 4.720 4.759 . 0 0 "[ . 1 . 2]" 1
288 1 60 ASN HB3 1 62 ALA H . . 5.130 4.602 4.017 5.150 0.020 8 0 "[ . 1 . 2]" 1
289 1 61 ASN HB2 1 62 ALA H . . 4.890 4.186 3.945 4.410 . 0 0 "[ . 1 . 2]" 1
290 1 61 ASN HB3 1 62 ALA H . . 5.170 4.210 3.934 4.493 . 0 0 "[ . 1 . 2]" 1
291 1 60 ASN HB2 1 62 ALA H . . 4.920 4.398 3.405 4.920 0.000 8 0 "[ . 1 . 2]" 1
292 1 62 ALA MB 1 64 TRP H . . 5.170 5.399 5.270 5.494 0.324 13 0 "[ . 1 . 2]" 1
293 1 63 PRO HG3 1 64 TRP H . . 5.170 5.557 5.518 5.640 0.470 8 0 "[ . 1 . 2]" 1
294 1 63 PRO HG2 1 64 TRP H . . 5.200 5.148 5.101 5.246 0.046 8 0 "[ . 1 . 2]" 1
295 1 57 MET H 1 65 THR H . . 4.030 2.954 2.478 3.241 . 0 0 "[ . 1 . 2]" 1
296 1 65 THR H 1 66 VAL H . . 5.220 4.324 4.145 4.480 . 0 0 "[ . 1 . 2]" 1
297 1 56 GLU HA 1 65 THR H . . 5.330 4.085 3.840 4.252 . 0 0 "[ . 1 . 2]" 1
298 1 69 ALA H 1 70 SER H . . 5.340 2.386 2.188 2.773 . 0 0 "[ . 1 . 2]" 1
299 1 53 TYR H 1 71 VAL H . . 4.040 2.326 1.961 2.568 . 0 0 "[ . 1 . 2]" 1
300 1 75 ALA H 1 76 THR H . . 4.900 4.500 4.336 4.577 . 0 0 "[ . 1 . 2]" 1
301 1 40 TRP HZ2 1 75 ALA H . . 5.190 4.754 4.518 5.112 . 0 0 "[ . 1 . 2]" 1
302 1 74 LYS HG3 1 75 ALA H . . 5.090 5.095 4.790 5.978 0.888 4 1 "[ +. 1 . 2]" 1
303 1 40 TRP HH2 1 77 SER H . . 4.530 3.697 3.301 4.041 . 0 0 "[ . 1 . 2]" 1
304 1 35 ALA MB 1 82 GLY H . . 5.430 4.219 3.975 4.576 . 0 0 "[ . 1 . 2]" 1
305 1 84 VAL H 1 89 TYR HH . . 5.040 2.470 2.133 2.809 . 0 0 "[ . 1 . 2]" 1
306 1 87 ARG H 1 88 SER H . . 4.840 4.313 4.277 4.360 . 0 0 "[ . 1 . 2]" 1
307 1 84 VAL MG1 1 87 ARG H . . 4.900 4.533 4.029 4.742 . 0 0 "[ . 1 . 2]" 1
308 1 89 TYR H 1 110 ARG HA . . 5.280 4.511 3.961 4.874 . 0 0 "[ . 1 . 2]" 1
309 1 89 TYR H 1 111 VAL HA . . 5.410 4.671 4.488 4.882 . 0 0 "[ . 1 . 2]" 1
310 1 36 ILE MD 1 89 TYR H . . 5.160 4.373 3.980 4.654 . 0 0 "[ . 1 . 2]" 1
311 1 93 LEU H 1 104 PHE QD . . 4.870 4.335 3.762 4.794 . 0 0 "[ . 1 . 2]" 1
312 1 56 GLU H 1 94 CYS H . . 5.200 5.146 4.915 5.289 0.089 8 0 "[ . 1 . 2]" 1
313 1 94 CYS H 1 104 PHE QE . . 4.910 3.907 3.335 4.415 . 0 0 "[ . 1 . 2]" 1
314 1 94 CYS H 1 104 PHE QD . . 4.910 3.719 3.420 4.247 . 0 0 "[ . 1 . 2]" 1
315 1 53 TYR HA 1 94 CYS H . . 5.210 4.077 3.894 4.570 . 0 0 "[ . 1 . 2]" 1
316 1 53 TYR HB3 1 94 CYS H . . 5.260 4.014 3.627 4.757 . 0 0 "[ . 1 . 2]" 1
317 1 93 LEU QD 1 94 CYS H . . 4.690 3.831 3.628 3.958 . 0 0 "[ . 1 . 2]" 1
318 1 21 PRO HD3 1 95 ALA H . . 5.170 3.523 3.371 3.658 . 0 0 "[ . 1 . 2]" 1
319 1 51 ILE H 1 96 VAL H . . 5.200 4.041 3.679 4.421 . 0 0 "[ . 1 . 2]" 1
320 1 54 ILE H 1 96 VAL H . . 5.260 4.736 4.494 5.083 . 0 0 "[ . 1 . 2]" 1
321 1 53 TYR QD 1 96 VAL H . . 5.040 3.804 2.822 4.485 . 0 0 "[ . 1 . 2]" 1
322 1 96 VAL H 1 97 ASN H . . 4.760 4.353 4.236 4.434 . 0 0 "[ . 1 . 2]" 1
323 1 18 PRO HD2 1 97 ASN H . . 5.500 4.290 3.950 4.560 . 0 0 "[ . 1 . 2]" 1
324 1 96 VAL HA 1 100 GLY H . . 5.290 4.586 4.337 4.756 . 0 0 "[ . 1 . 2]" 1
325 1 18 PRO HD3 1 102 GLY H . . 5.240 4.812 4.148 5.261 0.021 17 0 "[ . 1 . 2]" 1
326 1 95 ALA H 1 102 GLY H . . 5.490 3.534 3.370 3.741 . 0 0 "[ . 1 . 2]" 1
327 1 103 GLN H 1 104 PHE H . . 4.810 4.457 4.364 4.582 . 0 0 "[ . 1 . 2]" 1
328 1 105 SER H 1 106 LYS H . . 5.280 4.619 4.569 4.662 . 0 0 "[ . 1 . 2]" 1
329 1 107 ASP H 1 108 THR H . . 4.900 4.437 4.337 4.526 . 0 0 "[ . 1 . 2]" 1
330 1 91 PHE QD 1 108 THR H . . 5.500 5.478 5.151 5.574 0.074 16 0 "[ . 1 . 2]" 1
331 1 90 GLN HB3 1 108 THR H . . 4.820 4.412 3.954 4.777 . 0 0 "[ . 1 . 2]" 1
332 1 110 ARG H 1 110 ARG HD2 . . 4.990 4.838 4.682 5.217 0.227 2 0 "[ . 1 . 2]" 1
333 1 90 GLN HG2 1 110 ARG H . . 5.100 4.631 4.328 4.899 . 0 0 "[ . 1 . 2]" 1
334 1 90 GLN HE21 1 110 ARG H . . 4.890 3.795 3.189 4.046 . 0 0 "[ . 1 . 2]" 1
335 1 111 VAL H 1 112 SER HA . . 5.200 5.044 4.974 5.104 . 0 0 "[ . 1 . 2]" 1
336 1 115 GLU HB2 1 116 SER H . . 4.970 4.165 2.770 4.720 . 0 0 "[ . 1 . 2]" 1
337 1 14 VAL QG 1 16 GLN HE22 . . 4.810 2.245 1.691 3.267 . 0 0 "[ . 1 . 2]" 1
338 1 16 GLN HB2 1 16 GLN HE22 . . 4.830 4.015 3.134 4.753 . 0 0 "[ . 1 . 2]" 1
339 1 14 VAL H 1 47 ASN HB2 . . 5.220 4.036 2.511 4.763 . 0 0 "[ . 1 . 2]" 1
340 1 13 ARG HB2 1 14 VAL H . . 4.550 4.260 3.806 4.559 0.009 5 0 "[ . 1 . 2]" 1
341 1 13 ARG HG2 1 14 VAL H . . 4.980 4.640 3.762 5.198 0.218 3 0 "[ . 1 . 2]" 1
342 1 19 HIS H 1 44 PHE H . . 5.160 3.884 3.340 4.323 . 0 0 "[ . 1 . 2]" 1
343 1 22 GLU H 1 40 TRP HB3 . . 5.230 5.362 5.176 5.454 0.224 4 0 "[ . 1 . 2]" 1
344 1 22 GLU H 1 40 TRP HB2 . . 5.360 3.647 3.461 3.754 . 0 0 "[ . 1 . 2]" 1
345 1 26 ALA MB 1 37 ASN H . . 5.130 5.139 4.915 5.242 0.112 5 0 "[ . 1 . 2]" 1
346 1 36 ILE HG12 1 37 ASN H . . 4.880 4.234 3.922 4.630 . 0 0 "[ . 1 . 2]" 1
347 1 36 ILE MG 1 38 LEU H . . 5.130 3.999 3.608 4.397 . 0 0 "[ . 1 . 2]" 1
348 1 38 LEU H 1 38 LEU QD . . 5.010 3.636 3.442 3.942 . 0 0 "[ . 1 . 2]" 1
349 1 41 THR HB 1 42 LYS H . . 4.940 4.040 3.857 4.191 . 0 0 "[ . 1 . 2]" 1
350 1 47 ASN HB2 1 48 SER H . . 4.730 3.654 2.668 4.557 . 0 0 "[ . 1 . 2]" 1
351 1 52 ARG H 1 53 TYR H . . 5.360 4.357 4.297 4.395 . 0 0 "[ . 1 . 2]" 1
352 1 54 ILE H 1 55 LEU H . . 4.930 4.200 4.015 4.491 . 0 0 "[ . 1 . 2]" 1
353 1 55 LEU H 1 68 LEU HB2 . . 4.820 3.928 3.606 4.378 . 0 0 "[ . 1 . 2]" 1
354 1 56 GLU H 1 93 LEU HB2 . . 5.040 4.767 4.533 4.962 . 0 0 "[ . 1 . 2]" 1
355 1 56 GLU H 1 104 PHE QE . . 5.310 3.893 3.411 4.471 . 0 0 "[ . 1 . 2]" 1
356 1 58 SER H 1 58 SER HG . . 5.360 4.364 4.064 4.636 . 0 0 "[ . 1 . 2]" 1
357 1 64 TRP H 1 64 TRP HE1 . . 5.390 4.685 4.521 4.950 . 0 0 "[ . 1 . 2]" 1
358 1 64 TRP H 1 64 TRP HE3 . . 5.090 4.316 4.186 4.446 . 0 0 "[ . 1 . 2]" 1
359 1 66 VAL H 1 67 LEU H . . 5.350 4.338 4.295 4.470 . 0 0 "[ . 1 . 2]" 1
360 1 56 GLU HA 1 66 VAL H . . 5.500 4.464 3.933 4.726 . 0 0 "[ . 1 . 2]" 1
361 1 72 ASP HA 1 74 LYS H . . 5.070 3.885 3.692 4.122 . 0 0 "[ . 1 . 2]" 1
362 1 72 ASP H 1 75 ALA H . . 5.500 4.853 4.541 5.218 . 0 0 "[ . 1 . 2]" 1
363 1 40 TRP HZ2 1 76 THR H . . 5.500 4.619 4.416 4.831 . 0 0 "[ . 1 . 2]" 1
364 1 39 THR MG 1 77 SER H . . 5.470 5.409 5.141 5.617 0.147 18 0 "[ . 1 . 2]" 1
365 1 75 ALA H 1 77 SER H . . 5.500 5.477 5.272 5.534 0.034 20 0 "[ . 1 . 2]" 1
366 1 40 TRP H 1 78 VAL H . . 5.390 5.445 5.403 5.508 0.118 9 0 "[ . 1 . 2]" 1
367 1 79 THR H 1 80 VAL H . . 5.280 4.331 4.147 4.505 . 0 0 "[ . 1 . 2]" 1
368 1 38 LEU H 1 80 VAL H . . 5.020 4.312 3.706 5.009 . 0 0 "[ . 1 . 2]" 1
369 1 80 VAL H 1 81 LYS H . . 5.080 4.375 4.106 4.644 . 0 0 "[ . 1 . 2]" 1
370 1 83 LEU H 1 84 VAL H . . 5.480 4.530 4.454 4.670 . 0 0 "[ . 1 . 2]" 1
371 1 35 ALA HA 1 83 LEU H . . 5.500 4.563 3.936 5.194 . 0 0 "[ . 1 . 2]" 1
372 1 81 LYS HA 1 83 LEU H . . 5.000 3.822 3.128 4.628 . 0 0 "[ . 1 . 2]" 1
373 1 80 VAL QG 1 83 LEU H . . 5.300 4.691 3.676 5.223 . 0 0 "[ . 1 . 2]" 1
374 1 86 ALA H 1 114 PRO HA . . 5.500 3.691 3.162 4.144 . 0 0 "[ . 1 . 2]" 1
375 1 87 ARG H 1 112 SER HA . . 5.220 4.246 3.884 4.606 . 0 0 "[ . 1 . 2]" 1
376 1 87 ARG H 1 87 ARG HD2 . . 5.500 5.406 5.277 5.553 0.053 5 0 "[ . 1 . 2]" 1
377 1 85 PRO HB2 1 87 ARG H . . 5.500 5.564 5.519 5.602 0.102 10 0 "[ . 1 . 2]" 1
378 1 87 ARG H 1 113 LEU QD . . 5.500 4.024 3.829 4.226 . 0 0 "[ . 1 . 2]" 1
379 1 88 SER H 1 89 TYR H . . 5.270 4.625 4.591 4.635 . 0 0 "[ . 1 . 2]" 1
380 1 60 ASN HD21 1 88 SER H . . 5.500 3.335 2.629 4.348 . 0 0 "[ . 1 . 2]" 1
381 1 90 GLN H 1 91 PHE H . . 5.500 4.490 4.302 4.549 . 0 0 "[ . 1 . 2]" 1
382 1 57 MET HA 1 90 GLN H . . 5.500 4.312 4.050 4.501 . 0 0 "[ . 1 . 2]" 1
383 1 55 LEU QD 1 93 LEU H . . 5.430 3.253 2.797 3.752 . 0 0 "[ . 1 . 2]" 1
384 1 53 TYR QD 1 95 ALA H . . 5.500 4.859 4.381 5.387 . 0 0 "[ . 1 . 2]" 1
385 1 96 VAL H 1 101 LYS HA . . 5.460 4.783 4.602 4.989 . 0 0 "[ . 1 . 2]" 1
386 1 50 LEU HA 1 96 VAL H . . 5.500 4.924 4.523 5.227 . 0 0 "[ . 1 . 2]" 1
387 1 18 PRO HG3 1 96 VAL H . . 5.020 4.695 4.291 4.888 . 0 0 "[ . 1 . 2]" 1
388 1 101 LYS H 1 102 GLY H . . 5.140 4.515 4.363 4.646 . 0 0 "[ . 1 . 2]" 1
389 1 104 PHE H 1 105 SER H . . 5.500 4.567 4.465 4.622 . 0 0 "[ . 1 . 2]" 1
390 1 94 CYS HB2 1 105 SER H . . 5.500 5.389 5.001 5.550 0.050 5 0 "[ . 1 . 2]" 1
391 1 24 PRO HD3 1 106 LYS H . . 5.430 5.102 4.768 5.453 0.023 13 0 "[ . 1 . 2]" 1
392 1 64 TRP HH2 1 108 THR H . . 5.500 4.807 4.183 5.262 . 0 0 "[ . 1 . 2]" 1
393 1 108 THR H 1 109 GLU H . . 5.300 4.657 4.600 4.674 . 0 0 "[ . 1 . 2]" 1
394 1 90 GLN HE22 1 110 ARG H . . 5.450 5.164 3.013 5.474 0.024 5 0 "[ . 1 . 2]" 1
395 1 85 PRO HB2 1 116 SER H . . 5.490 2.558 1.935 4.479 . 0 0 "[ . 1 . 2]" 1
396 1 115 GLU HB3 1 116 SER H . . 5.290 3.671 2.775 4.370 . 0 0 "[ . 1 . 2]" 1
397 1 116 SER HB2 1 117 GLY H . . 5.500 3.857 2.029 4.740 . 0 0 "[ . 1 . 2]" 1
398 1 64 TRP HE1 1 92 ARG HD3 . . 5.500 4.083 3.534 5.499 . 0 0 "[ . 1 . 2]" 1
399 1 64 TRP HE1 1 92 ARG HD2 . . 5.480 5.020 4.757 5.436 . 0 0 "[ . 1 . 2]" 1
400 1 64 TRP HE1 1 92 ARG HE . . 5.500 5.076 3.082 5.479 . 0 0 "[ . 1 . 2]" 1
401 1 64 TRP HE1 1 92 ARG QH2 . . 5.060 4.501 1.846 5.419 0.359 8 0 "[ . 1 . 2]" 1
402 1 60 ASN HD21 1 87 ARG HG2 . . 5.500 3.266 2.213 4.362 . 0 0 "[ . 1 . 2]" 1
403 1 90 GLN HB3 1 90 GLN HE22 . . 5.320 4.519 4.216 4.661 . 0 0 "[ . 1 . 2]" 1
404 1 40 TRP HE1 1 53 TYR HH . . 5.500 3.794 2.605 4.803 . 0 0 "[ . 1 . 2]" 1
405 1 40 TRP HE1 1 43 PRO HD3 . . 5.500 3.976 3.669 4.153 . 0 0 "[ . 1 . 2]" 1
406 1 40 TRP HE1 1 71 VAL MG1 . . 5.390 5.018 4.751 5.151 . 0 0 "[ . 1 . 2]" 1
407 1 40 TRP HE1 1 93 LEU QD . . 5.000 2.888 2.608 3.346 . 0 0 "[ . 1 . 2]" 1
408 1 44 PHE HB2 1 45 ASP H . . 5.500 4.255 3.739 4.609 . 0 0 "[ . 1 . 2]" 1
409 1 58 SER HG 1 64 TRP H . . 5.500 5.217 4.704 5.537 0.037 15 0 "[ . 1 . 2]" 1
410 1 13 ARG HG3 1 14 VAL H . . 5.240 4.254 3.078 4.674 . 0 0 "[ . 1 . 2]" 1
411 1 15 ARG H 1 99 VAL QG . . 5.400 4.284 3.969 4.639 . 0 0 "[ . 1 . 2]" 1
412 1 17 LEU H 1 18 PRO HD2 . . 5.250 5.017 4.986 5.046 . 0 0 "[ . 1 . 2]" 1
413 1 94 CYS H 1 95 ALA H . . 5.500 4.435 4.404 4.461 . 0 0 "[ . 1 . 2]" 1
414 1 38 LEU QD 1 91 PHE H . . 5.500 4.023 3.730 4.345 . 0 0 "[ . 1 . 2]" 1
415 1 14 VAL QG 1 16 GLN H . . 5.100 3.188 2.689 3.829 . 0 0 "[ . 1 . 2]" 1
416 1 115 GLU HG2 1 116 SER H . . 5.500 3.240 2.051 5.241 . 0 0 "[ . 1 . 2]" 1
417 1 86 ALA HA 1 115 GLU H . . 5.500 3.911 3.170 4.239 . 0 0 "[ . 1 . 2]" 1
418 1 68 LEU H 1 69 ALA H . . 5.500 4.237 4.155 4.301 . 0 0 "[ . 1 . 2]" 1
419 1 56 GLU HA 1 68 LEU H . . 5.500 4.351 4.103 4.992 . 0 0 "[ . 1 . 2]" 1
420 1 22 GLU H 1 23 HIS H . . 5.500 4.507 4.444 4.577 . 0 0 "[ . 1 . 2]" 1
421 1 68 LEU H 1 68 LEU MD1 . . 4.950 4.287 4.123 4.476 . 0 0 "[ . 1 . 2]" 1
422 1 38 LEU H 1 80 VAL QG . . 5.500 4.334 3.997 4.939 . 0 0 "[ . 1 . 2]" 1
423 1 38 LEU H 1 77 SER HA . . 5.100 4.745 4.464 4.975 . 0 0 "[ . 1 . 2]" 1
424 1 37 ASN H 1 38 LEU H . . 5.030 4.327 4.140 4.514 . 0 0 "[ . 1 . 2]" 1
425 1 25 VAL H 1 38 LEU QD . . 5.340 4.048 3.355 4.732 . 0 0 "[ . 1 . 2]" 1
426 1 60 ASN H 1 62 ALA H . . 5.430 3.903 3.595 4.404 . 0 0 "[ . 1 . 2]" 1
427 1 60 ASN H 1 60 ASN HD22 . . 5.400 4.367 3.809 4.806 . 0 0 "[ . 1 . 2]" 1
428 1 59 GLU HB2 1 60 ASN H . . 5.060 3.925 3.389 4.675 . 0 0 "[ . 1 . 2]" 1
429 1 59 GLU HG2 1 60 ASN HD21 . . 5.500 3.296 1.942 5.124 . 0 0 "[ . 1 . 2]" 1
430 1 60 ASN HD21 1 87 ARG HA . . 5.500 3.943 3.033 4.748 . 0 0 "[ . 1 . 2]" 1
431 1 27 THR H 1 37 ASN HB3 . . 5.300 3.743 3.395 4.071 . 0 0 "[ . 1 . 2]" 1
432 1 27 THR H 1 28 LEU HA . . 5.350 5.050 4.840 5.240 . 0 0 "[ . 1 . 2]" 1
433 1 35 ALA HA 1 82 GLY H . . 5.460 4.251 3.681 4.833 . 0 0 "[ . 1 . 2]" 1
434 1 38 LEU H 1 79 THR HA . . 3.400 3.113 2.843 3.444 0.044 5 0 "[ . 1 . 2]" 1
435 1 57 MET H 1 58 SER H . . 5.500 4.548 4.508 4.576 . 0 0 "[ . 1 . 2]" 1
436 1 58 SER H 1 92 ARG H . . 5.500 5.563 5.500 5.622 0.122 8 0 "[ . 1 . 2]" 1
437 1 59 GLU H 1 60 ASN H . . 5.500 4.332 4.080 4.546 . 0 0 "[ . 1 . 2]" 1
438 1 58 SER H 1 59 GLU H . . 5.360 4.063 3.785 4.269 . 0 0 "[ . 1 . 2]" 1
439 1 59 GLU H 1 62 ALA H . . 4.430 3.576 3.345 3.851 . 0 0 "[ . 1 . 2]" 1
440 1 58 SER HG 1 59 GLU H . . 4.840 3.565 3.059 4.207 . 0 0 "[ . 1 . 2]" 1
441 1 55 LEU H 1 67 LEU H . . 5.500 4.719 4.161 4.907 . 0 0 "[ . 1 . 2]" 1
442 1 17 LEU QD 1 97 ASN H . . 5.340 4.133 3.741 4.473 . 0 0 "[ . 1 . 2]" 1
443 1 51 ILE H 1 97 ASN H . . 5.500 4.353 4.124 4.559 . 0 0 "[ . 1 . 2]" 1
444 1 87 ARG H 1 113 LEU H . . 4.540 2.410 2.090 2.613 . 0 0 "[ . 1 . 2]" 1
445 1 53 TYR QD 1 71 VAL H . . 5.500 5.156 4.707 5.517 0.017 5 0 "[ . 1 . 2]" 1
446 1 52 ARG HA 1 71 VAL H . . 4.070 3.712 3.409 4.029 . 0 0 "[ . 1 . 2]" 1
447 1 113 LEU H 1 113 LEU QD . . 3.590 3.369 3.032 3.478 . 0 0 "[ . 1 . 2]" 1
448 1 90 GLN HG3 1 110 ARG H . . 5.500 5.289 4.627 5.515 0.015 8 0 "[ . 1 . 2]" 1
449 1 29 SER HB3 1 37 ASN HD22 . . 5.500 5.172 4.359 6.182 0.682 7 1 "[ . + 1 . 2]" 1
450 1 29 SER HB3 1 37 ASN HD21 . . 5.500 4.556 3.421 5.375 . 0 0 "[ . 1 . 2]" 1
451 1 37 ASN HD21 1 39 THR MG . . 5.500 5.390 5.094 5.517 0.017 17 0 "[ . 1 . 2]" 1
452 1 37 ASN H 1 37 ASN HD21 . . 5.500 3.895 3.545 4.253 . 0 0 "[ . 1 . 2]" 1
453 1 37 ASN H 1 37 ASN HD22 . . 5.500 5.163 4.747 5.454 . 0 0 "[ . 1 . 2]" 1
454 1 15 ARG HA 1 47 ASN HD22 . . 5.500 5.376 4.652 5.547 0.047 4 0 "[ . 1 . 2]" 1
455 1 14 VAL QG 1 47 ASN HD22 . . 5.500 3.005 1.956 4.831 . 0 0 "[ . 1 . 2]" 1
456 1 17 LEU HA 1 97 ASN HD21 . . 5.500 4.607 3.950 5.007 . 0 0 "[ . 1 . 2]" 1
457 1 93 LEU H 1 94 CYS H . . 5.210 4.527 4.497 4.558 . 0 0 "[ . 1 . 2]" 1
458 1 92 ARG H 1 92 ARG HG2 . . 4.500 3.154 2.827 3.698 . 0 0 "[ . 1 . 2]" 1
459 1 93 LEU HB3 1 94 CYS H . . 4.380 3.896 3.690 4.054 . 0 0 "[ . 1 . 2]" 1
460 1 93 LEU HB2 1 94 CYS H . . 4.150 2.618 2.361 2.834 . 0 0 "[ . 1 . 2]" 1
461 1 55 LEU QD 1 93 LEU HB2 . . 4.060 3.716 3.443 3.938 . 0 0 "[ . 1 . 2]" 1
462 1 36 ILE HA 1 36 ILE MD . . 3.910 3.821 3.757 3.902 . 0 0 "[ . 1 . 2]" 1
463 1 54 ILE HB 1 54 ILE MD . . 3.190 2.312 2.148 3.173 . 0 0 "[ . 1 . 2]" 1
464 1 36 ILE MD 1 91 PHE QE . . 3.200 2.005 1.814 2.309 . 0 0 "[ . 1 . 2]" 1
465 1 36 ILE MD 1 89 TYR QD . . 3.610 2.936 2.434 3.506 . 0 0 "[ . 1 . 2]" 1
466 1 36 ILE MD 1 91 PHE HZ . . 3.460 2.331 1.974 3.136 . 0 0 "[ . 1 . 2]" 1
467 1 36 ILE MD 1 89 TYR HB2 . . 3.580 2.581 2.220 2.883 . 0 0 "[ . 1 . 2]" 1
468 1 36 ILE MD 1 111 VAL HB . . 3.590 2.876 2.095 3.819 0.229 10 0 "[ . 1 . 2]" 1
469 1 55 LEU HB3 1 68 LEU HB2 . . 4.340 2.702 2.320 3.126 . 0 0 "[ . 1 . 2]" 1
470 1 55 LEU HB2 1 68 LEU HB3 . . 4.360 4.119 3.360 4.540 0.180 5 0 "[ . 1 . 2]" 1
471 1 55 LEU HB2 1 55 LEU QD . . 3.090 2.345 2.042 2.543 . 0 0 "[ . 1 . 2]" 1
472 1 38 LEU H 1 38 LEU HB2 . . 3.500 2.455 2.199 2.985 . 0 0 "[ . 1 . 2]" 1
473 1 38 LEU HB3 1 40 TRP HE3 . . 3.870 3.500 3.208 3.921 0.051 18 0 "[ . 1 . 2]" 1
474 1 38 LEU HB3 1 40 TRP HZ3 . . 3.710 2.202 1.957 2.611 . 0 0 "[ . 1 . 2]" 1
475 1 38 LEU HB2 1 38 LEU HG . . 3.020 2.571 2.264 2.983 . 0 0 "[ . 1 . 2]" 1
476 1 17 LEU QD 1 100 GLY HA3 . . 3.820 2.370 1.926 2.787 . 0 0 "[ . 1 . 2]" 1
477 1 100 GLY HA2 1 101 LYS H . . 3.410 2.908 2.574 3.186 . 0 0 "[ . 1 . 2]" 1
478 1 17 LEU QD 1 100 GLY HA2 . . 4.000 3.610 3.275 3.978 . 0 0 "[ . 1 . 2]" 1
479 1 51 ILE MD 1 98 ASP H . . 3.910 2.481 2.089 3.260 . 0 0 "[ . 1 . 2]" 1
480 1 51 ILE MD 1 98 ASP HA . . 3.320 2.073 1.864 3.284 . 0 0 "[ . 1 . 2]" 1
481 1 51 ILE MD 1 98 ASP QB . . 3.660 2.348 2.030 2.664 . 0 0 "[ . 1 . 2]" 1
482 1 67 LEU HB2 1 68 LEU H . . 4.200 2.976 2.197 3.695 . 0 0 "[ . 1 . 2]" 1
483 1 55 LEU HB3 1 68 LEU HB3 . . 4.260 3.028 2.699 3.638 . 0 0 "[ . 1 . 2]" 1
484 1 68 LEU HB2 1 68 LEU MD2 . . 3.670 3.210 3.197 3.221 . 0 0 "[ . 1 . 2]" 1
485 1 17 LEU HB2 1 102 GLY HA2 . . 4.310 3.917 2.554 4.344 0.034 2 0 "[ . 1 . 2]" 1
486 1 18 PRO HG2 1 102 GLY HA3 . . 4.360 3.549 2.668 4.330 . 0 0 "[ . 1 . 2]" 1
487 1 34 ARG HA 1 34 ARG HD2 . . 4.140 4.207 3.145 4.805 0.665 11 3 "[- . 1+ * . 2]" 1
488 1 34 ARG HB3 1 34 ARG HD2 . . 3.820 2.924 2.117 4.177 0.357 6 0 "[ . 1 . 2]" 1
489 1 34 ARG HB2 1 34 ARG HD2 . . 3.590 3.259 2.724 4.038 0.448 2 0 "[ . 1 . 2]" 1
490 1 34 ARG HA 1 34 ARG HD3 . . 5.130 4.028 2.512 4.838 . 0 0 "[ . 1 . 2]" 1
491 1 34 ARG HB3 1 34 ARG HD3 . . 3.820 3.066 2.139 3.632 . 0 0 "[ . 1 . 2]" 1
492 1 15 ARG HB3 1 15 ARG HD2 . . 3.410 2.357 2.036 2.701 . 0 0 "[ . 1 . 2]" 1
493 1 15 ARG HD2 1 99 VAL QG . . 4.070 2.846 1.955 3.497 . 0 0 "[ . 1 . 2]" 1
494 1 15 ARG HD3 1 99 VAL QG . . 4.210 2.811 1.902 3.947 . 0 0 "[ . 1 . 2]" 1
495 1 84 VAL HB 1 87 ARG HD2 . . 3.820 2.189 1.972 2.462 . 0 0 "[ . 1 . 2]" 1
496 1 87 ARG HB3 1 87 ARG HD2 . . 4.290 2.690 2.539 3.109 . 0 0 "[ . 1 . 2]" 1
497 1 84 VAL MG1 1 87 ARG HD2 . . 4.070 2.136 1.912 2.769 . 0 0 "[ . 1 . 2]" 1
498 1 84 VAL HB 1 87 ARG HD3 . . 4.030 3.804 3.270 4.063 0.033 12 0 "[ . 1 . 2]" 1
499 1 59 GLU HG3 1 87 ARG HD3 . . 4.300 4.103 3.368 4.329 0.029 10 0 "[ . 1 . 2]" 1
500 1 87 ARG HB3 1 87 ARG HD3 . . 4.190 2.475 2.178 2.637 . 0 0 "[ . 1 . 2]" 1
501 1 84 VAL MG1 1 87 ARG HD3 . . 4.190 3.521 3.225 4.072 . 0 0 "[ . 1 . 2]" 1
502 1 13 ARG HB3 1 13 ARG HD3 . . 3.680 3.261 3.021 3.589 . 0 0 "[ . 1 . 2]" 1
503 1 33 ARG HA 1 33 ARG QD . . 3.630 2.349 1.938 3.243 . 0 0 "[ . 1 . 2]" 1
504 1 33 ARG HB2 1 33 ARG QD . . 3.360 3.212 2.370 3.330 . 0 0 "[ . 1 . 2]" 1
505 1 33 ARG H 1 33 ARG QD . . 4.270 3.977 1.935 4.268 . 0 0 "[ . 1 . 2]" 1
506 1 13 ARG HA 1 13 ARG HD2 . . 4.290 3.995 3.343 4.287 . 0 0 "[ . 1 . 2]" 1
507 1 13 ARG HB2 1 13 ARG HD3 . . 3.680 2.277 1.980 3.136 . 0 0 "[ . 1 . 2]" 1
508 1 110 ARG HB2 1 110 ARG HD2 . . 3.460 2.853 2.604 3.593 0.133 2 0 "[ . 1 . 2]" 1
509 1 72 ASP H 1 72 ASP HB2 . . 3.220 2.023 2.009 2.044 . 0 0 "[ . 1 . 2]" 1
510 1 36 ILE H 1 36 ILE HB . . 3.810 2.581 2.338 2.781 . 0 0 "[ . 1 . 2]" 1
511 1 36 ILE HB 1 80 VAL HB . . 4.110 2.530 2.069 2.844 . 0 0 "[ . 1 . 2]" 1
512 1 36 ILE HB 1 83 LEU QD . . 4.140 2.854 2.472 3.177 . 0 0 "[ . 1 . 2]" 1
513 1 52 ARG HD2 1 70 SER HA . . 3.750 3.621 3.305 3.814 0.064 16 0 "[ . 1 . 2]" 1
514 1 51 ILE MG 1 52 ARG HD2 . . 4.310 4.309 4.181 4.387 0.077 16 0 "[ . 1 . 2]" 1
515 1 52 ARG HD2 1 96 VAL MG2 . . 4.110 4.159 4.118 4.185 0.075 5 0 "[ . 1 . 2]" 1
516 1 52 ARG HD3 1 70 SER HA . . 3.670 2.096 1.911 2.326 . 0 0 "[ . 1 . 2]" 1
517 1 52 ARG HB2 1 52 ARG HD3 . . 4.130 2.383 2.217 2.611 . 0 0 "[ . 1 . 2]" 1
518 1 42 LYS HE3 1 50 LEU HG . . 4.120 3.871 3.508 4.647 0.527 17 1 "[ . 1 . + 2]" 1
519 1 42 LYS HE3 1 42 LYS HG3 . . 3.270 2.824 2.425 3.410 0.140 6 0 "[ . 1 . 2]" 1
520 1 42 LYS HE3 1 42 LYS HG2 . . 3.160 2.724 2.216 3.721 0.561 17 2 "[ .- 1 . + 2]" 1
521 1 42 LYS HE3 1 50 LEU QD . . 3.500 2.155 1.847 3.258 . 0 0 "[ . 1 . 2]" 1
522 1 106 LYS HB2 1 106 LYS HE2 . . 4.190 4.023 1.999 5.050 0.860 7 7 "[ *- +* * .* *2]" 1
523 1 12 LEU HB2 1 12 LEU HG . . 3.030 2.777 2.354 3.026 . 0 0 "[ . 1 . 2]" 1
524 1 106 LYS QD 1 106 LYS HE2 . . 2.780 2.394 2.193 2.572 . 0 0 "[ . 1 . 2]" 1
525 1 106 LYS HE3 1 106 LYS HG2 . . 3.630 3.259 2.019 4.203 0.573 14 3 "[* .- 1 +. 2]" 1
526 1 106 LYS HE3 1 106 LYS HG3 . . 3.560 3.067 2.060 3.668 0.108 12 0 "[ . 1 . 2]" 1
527 1 81 LYS QE 1 81 LYS HG3 . . 3.500 2.096 1.953 2.399 . 0 0 "[ . 1 . 2]" 1
528 1 79 THR MG 1 81 LYS QE . . 3.680 2.310 1.921 3.026 . 0 0 "[ . 1 . 2]" 1
529 1 96 VAL MG2 1 101 LYS QE . . 3.420 2.509 1.887 3.328 . 0 0 "[ . 1 . 2]" 1
530 1 79 THR HB 1 81 LYS QE . . 4.240 2.603 1.958 3.118 . 0 0 "[ . 1 . 2]" 1
531 1 28 LEU H 1 28 LEU HB2 . . 3.200 2.021 1.977 2.060 . 0 0 "[ . 1 . 2]" 1
532 1 74 LYS HB3 1 74 LYS QE . . 3.970 2.456 2.064 3.685 . 0 0 "[ . 1 . 2]" 1
533 1 74 LYS HD3 1 74 LYS QE . . 2.730 2.369 2.182 2.557 . 0 0 "[ . 1 . 2]" 1
534 1 74 LYS QE 1 74 LYS HG3 . . 3.550 2.828 2.427 3.402 . 0 0 "[ . 1 . 2]" 1
535 1 97 ASN HB2 1 98 ASP H . . 4.060 2.109 1.923 2.482 . 0 0 "[ . 1 . 2]" 1
536 1 97 ASN HB3 1 98 ASP H . . 4.150 3.489 3.214 3.889 . 0 0 "[ . 1 . 2]" 1
537 1 107 ASP H 1 107 ASP HB3 . . 3.850 2.801 2.563 3.566 . 0 0 "[ . 1 . 2]" 1
538 1 90 GLN HE21 1 107 ASP HB3 . . 4.240 4.044 3.148 4.399 0.159 11 0 "[ . 1 . 2]" 1
539 1 107 ASP HB2 1 108 THR H . . 4.210 3.763 3.505 4.386 0.176 3 0 "[ . 1 . 2]" 1
540 1 107 ASP H 1 107 ASP HB2 . . 3.500 3.424 2.443 3.549 0.049 8 0 "[ . 1 . 2]" 1
541 1 90 GLN HE22 1 107 ASP HB2 . . 4.310 2.641 2.044 3.889 . 0 0 "[ . 1 . 2]" 1
542 1 90 GLN HE22 1 107 ASP HB3 . . 4.330 3.414 3.062 3.799 . 0 0 "[ . 1 . 2]" 1
543 1 90 GLN HE21 1 107 ASP HB2 . . 4.190 2.753 2.283 3.815 . 0 0 "[ . 1 . 2]" 1
544 1 45 ASP QB 1 50 LEU HG . . 4.180 3.122 2.419 3.864 . 0 0 "[ . 1 . 2]" 1
545 1 53 TYR HB3 1 71 VAL HB . . 4.050 3.172 2.586 3.523 . 0 0 "[ . 1 . 2]" 1
546 1 98 ASP H 1 98 ASP QB . . 3.580 2.217 2.133 2.618 . 0 0 "[ . 1 . 2]" 1
547 1 17 LEU H 1 17 LEU HB2 . . 3.920 2.278 2.134 2.521 . 0 0 "[ . 1 . 2]" 1
548 1 54 ILE H 1 54 ILE HB . . 3.930 2.493 2.374 2.677 . 0 0 "[ . 1 . 2]" 1
549 1 51 ILE H 1 51 ILE HB . . 3.900 2.321 2.201 2.496 . 0 0 "[ . 1 . 2]" 1
550 1 51 ILE HB 1 51 ILE MD . . 3.600 2.420 2.241 3.210 . 0 0 "[ . 1 . 2]" 1
551 1 37 ASN H 1 37 ASN HB3 . . 3.890 3.232 3.096 3.409 . 0 0 "[ . 1 . 2]" 1
552 1 37 ASN HB3 1 38 LEU H . . 4.280 3.874 3.431 4.073 . 0 0 "[ . 1 . 2]" 1
553 1 37 ASN H 1 37 ASN HB2 . . 3.720 2.205 2.093 2.349 . 0 0 "[ . 1 . 2]" 1
554 1 39 THR HB 1 40 TRP H . . 3.460 3.496 3.346 3.592 0.132 15 0 "[ . 1 . 2]" 1
555 1 27 THR HB 1 28 LEU H . . 3.340 2.971 2.589 3.250 . 0 0 "[ . 1 . 2]" 1
556 1 65 THR H 1 65 THR HB . . 3.880 2.661 2.505 3.069 . 0 0 "[ . 1 . 2]" 1
557 1 44 PHE H 1 44 PHE HB2 . . 3.640 2.639 2.411 2.762 . 0 0 "[ . 1 . 2]" 1
558 1 41 THR H 1 41 THR HB . . 3.410 2.285 2.147 2.406 . 0 0 "[ . 1 . 2]" 1
559 1 22 GLU H 1 41 THR HB . . 4.280 2.761 2.264 3.349 . 0 0 "[ . 1 . 2]" 1
560 1 22 GLU HB3 1 41 THR HB . . 3.240 2.837 2.499 3.630 0.390 20 0 "[ . 1 . 2]" 1
561 1 79 THR H 1 79 THR HB . . 3.250 2.532 2.408 2.632 . 0 0 "[ . 1 . 2]" 1
562 1 56 GLU H 1 56 GLU QG . . 4.410 3.375 2.636 3.955 . 0 0 "[ . 1 . 2]" 1
563 1 56 GLU QG 1 66 VAL QG . . 3.420 2.243 1.929 3.126 . 0 0 "[ . 1 . 2]" 1
564 1 15 ARG HA 1 47 ASN HB3 . . 4.150 3.219 2.269 4.100 . 0 0 "[ . 1 . 2]" 1
565 1 109 GLU HA 1 109 GLU HG2 . . 3.820 2.640 2.186 3.730 . 0 0 "[ . 1 . 2]" 1
566 1 22 GLU H 1 22 GLU HG3 . . 3.920 3.549 2.419 4.097 0.177 6 0 "[ . 1 . 2]" 1
567 1 22 GLU HA 1 22 GLU HG2 . . 3.460 2.172 1.998 3.281 . 0 0 "[ . 1 . 2]" 1
568 1 59 GLU HG3 1 89 TYR QE . . 4.210 2.333 1.986 4.210 . 0 0 "[ . 1 . 2]" 1
569 1 59 GLU HG2 1 89 TYR QE . . 4.360 3.772 3.471 4.295 . 0 0 "[ . 1 . 2]" 1
570 1 109 GLU H 1 109 GLU HG2 . . 3.780 4.113 3.829 4.278 0.498 7 0 "[ . 1 . 2]" 1
571 1 109 GLU HA 1 109 GLU HG3 . . 3.870 2.614 2.218 2.988 . 0 0 "[ . 1 . 2]" 1
572 1 22 GLU HA 1 22 GLU HG3 . . 3.690 3.106 2.379 3.516 . 0 0 "[ . 1 . 2]" 1
573 1 40 TRP H 1 76 THR HB . . 4.190 3.191 2.995 3.396 . 0 0 "[ . 1 . 2]" 1
574 1 115 GLU H 1 115 GLU HG3 . . 4.110 4.080 2.367 4.591 0.481 20 0 "[ . 1 . 2]" 1
575 1 64 TRP HH2 1 90 GLN HB2 . . 4.330 3.639 3.084 4.048 . 0 0 "[ . 1 . 2]" 1
576 1 32 GLU H 1 32 GLU QG . . 3.960 3.689 3.279 3.785 . 0 0 "[ . 1 . 2]" 1
577 1 32 GLU HA 1 32 GLU QG . . 3.490 2.210 1.958 2.463 . 0 0 "[ . 1 . 2]" 1
578 1 32 GLU QG 1 35 ALA MB . . 3.450 3.336 3.288 3.381 . 0 0 "[ . 1 . 2]" 1
579 1 91 PHE QD 1 108 THR HG1 . . 4.190 3.389 2.438 4.111 . 0 0 "[ . 1 . 2]" 1
580 1 25 VAL H 1 25 VAL HB . . 3.670 2.877 2.435 3.698 0.028 3 0 "[ . 1 . 2]" 1
581 1 111 VAL H 1 111 VAL HB . . 3.860 2.461 2.229 2.626 . 0 0 "[ . 1 . 2]" 1
582 1 78 VAL HB 1 79 THR H . . 4.110 4.085 4.038 4.154 0.044 3 0 "[ . 1 . 2]" 1
583 1 40 TRP HH2 1 78 VAL HB . . 3.710 1.991 1.962 2.056 . 0 0 "[ . 1 . 2]" 1
584 1 44 PHE QE 1 46 GLY H . . 4.370 4.121 2.511 4.410 0.040 19 0 "[ . 1 . 2]" 1
585 1 44 PHE QD 1 45 ASP H . . 4.290 3.361 2.573 3.639 . 0 0 "[ . 1 . 2]" 1
586 1 44 PHE QD 1 46 GLY H . . 4.390 3.804 2.004 4.415 0.025 12 0 "[ . 1 . 2]" 1
587 1 81 LYS HB2 1 82 GLY H . . 4.200 3.700 3.270 4.172 . 0 0 "[ . 1 . 2]" 1
588 1 81 LYS HB3 1 82 GLY H . . 4.360 2.657 2.123 3.119 . 0 0 "[ . 1 . 2]" 1
589 1 81 LYS H 1 81 LYS HB3 . . 4.180 3.748 3.610 3.924 . 0 0 "[ . 1 . 2]" 1
590 1 52 ARG HG2 1 96 VAL HB . . 4.100 2.611 2.182 3.137 . 0 0 "[ . 1 . 2]" 1
591 1 52 ARG HG3 1 96 VAL HB . . 4.060 2.751 2.412 3.202 . 0 0 "[ . 1 . 2]" 1
592 1 105 SER HB2 1 106 LYS H . . 4.040 2.686 2.460 3.021 . 0 0 "[ . 1 . 2]" 1
593 1 24 PRO HG3 1 105 SER HB2 . . 4.370 2.099 1.980 2.310 . 0 0 "[ . 1 . 2]" 1
594 1 105 SER H 1 105 SER HB3 . . 4.160 2.961 2.783 3.151 . 0 0 "[ . 1 . 2]" 1
595 1 56 GLU HB3 1 57 MET H . . 4.140 3.427 3.134 3.696 . 0 0 "[ . 1 . 2]" 1
596 1 56 GLU H 1 56 GLU HB2 . . 4.080 2.374 2.248 2.627 . 0 0 "[ . 1 . 2]" 1
597 1 89 TYR HB3 1 91 PHE QE . . 4.260 3.502 3.074 3.952 . 0 0 "[ . 1 . 2]" 1
598 1 36 ILE MG 1 91 PHE QE . . 3.480 1.926 1.802 2.010 . 0 0 "[ . 1 . 2]" 1
599 1 101 LYS HB2 1 101 LYS QD . . 3.580 3.017 2.407 3.373 . 0 0 "[ . 1 . 2]" 1
600 1 96 VAL MG2 1 101 LYS HB2 . . 4.230 2.269 1.957 3.230 . 0 0 "[ . 1 . 2]" 1
601 1 101 LYS H 1 101 LYS HB3 . . 3.570 2.520 2.371 2.638 . 0 0 "[ . 1 . 2]" 1
602 1 101 LYS HB3 1 101 LYS QD . . 3.620 2.587 2.107 3.387 . 0 0 "[ . 1 . 2]" 1
603 1 96 VAL MG2 1 101 LYS HB3 . . 4.230 3.580 3.378 4.276 0.046 12 0 "[ . 1 . 2]" 1
604 1 20 ALA MB 1 103 GLN QG . . 3.860 2.055 1.683 3.762 . 0 0 "[ . 1 . 2]" 1
605 1 16 GLN H 1 16 GLN HB2 . . 4.100 2.876 2.165 3.811 . 0 0 "[ . 1 . 2]" 1
606 1 16 GLN HB3 1 17 LEU H . . 4.170 3.527 2.701 4.023 . 0 0 "[ . 1 . 2]" 1
607 1 16 GLN H 1 16 GLN HG2 . . 4.390 3.666 1.892 4.697 0.307 14 0 "[ . 1 . 2]" 1
608 1 16 GLN HG2 1 17 LEU H . . 4.100 3.917 2.951 4.230 0.130 7 0 "[ . 1 . 2]" 1
609 1 16 GLN HB2 1 16 GLN HG2 . . 3.030 2.709 2.452 3.053 0.023 15 0 "[ . 1 . 2]" 1
610 1 14 VAL QG 1 16 GLN HG2 . . 4.430 3.903 3.457 4.712 0.282 18 0 "[ . 1 . 2]" 1
611 1 16 GLN H 1 16 GLN HG3 . . 4.370 4.157 3.474 4.540 0.170 9 0 "[ . 1 . 2]" 1
612 1 16 GLN HG3 1 17 LEU H . . 4.000 2.852 1.933 4.110 0.110 11 0 "[ . 1 . 2]" 1
613 1 31 VAL HB 1 32 GLU H . . 4.240 3.469 2.765 4.094 . 0 0 "[ . 1 . 2]" 1
614 1 84 VAL H 1 84 VAL HB . . 3.880 2.350 2.211 2.521 . 0 0 "[ . 1 . 2]" 1
615 1 84 VAL HB 1 87 ARG HG3 . . 4.320 3.691 3.252 4.254 . 0 0 "[ . 1 . 2]" 1
616 1 77 SER HB3 1 78 VAL H . . 3.850 3.799 3.636 3.875 0.025 17 0 "[ . 1 . 2]" 1
617 1 39 THR HA 1 77 SER HB3 . . 4.200 2.446 2.051 3.951 . 0 0 "[ . 1 . 2]" 1
618 1 77 SER HB2 1 78 VAL H . . 3.820 2.863 2.648 3.635 . 0 0 "[ . 1 . 2]" 1
619 1 39 THR HA 1 77 SER HB2 . . 4.090 3.429 2.313 3.659 . 0 0 "[ . 1 . 2]" 1
620 1 57 MET H 1 66 VAL HA . . 4.350 4.046 3.366 4.366 0.016 18 0 "[ . 1 . 2]" 1
621 1 66 VAL HA 1 67 LEU H . . 3.320 2.220 2.185 2.234 . 0 0 "[ . 1 . 2]" 1
622 1 56 GLU HA 1 66 VAL HA . . 3.720 2.521 1.980 2.830 . 0 0 "[ . 1 . 2]" 1
623 1 56 GLU QG 1 66 VAL HA . . 3.790 2.064 1.859 2.471 . 0 0 "[ . 1 . 2]" 1
624 1 88 SER QB 1 89 TYR H . . 3.880 2.893 2.651 3.501 . 0 0 "[ . 1 . 2]" 1
625 1 88 SER H 1 88 SER QB . . 3.620 2.261 2.079 2.354 . 0 0 "[ . 1 . 2]" 1
626 1 88 SER QB 1 110 ARG HD3 . . 4.020 2.996 2.045 4.564 0.544 2 1 "[ + . 1 . 2]" 1
627 1 88 SER QB 1 110 ARG QG . . 4.120 2.570 2.029 3.081 . 0 0 "[ . 1 . 2]" 1
628 1 106 LYS HB2 1 107 ASP H . . 3.780 3.727 2.551 4.034 0.254 16 0 "[ . 1 . 2]" 1
629 1 106 LYS H 1 106 LYS HB2 . . 3.790 2.450 2.073 3.516 . 0 0 "[ . 1 . 2]" 1
630 1 106 LYS HB3 1 107 ASP H . . 3.990 2.926 2.430 4.114 0.124 13 0 "[ . 1 . 2]" 1
631 1 106 LYS H 1 106 LYS HB3 . . 3.610 3.222 2.149 3.525 . 0 0 "[ . 1 . 2]" 1
632 1 22 GLU HB2 1 23 HIS H . . 3.630 3.686 3.395 3.821 0.191 18 0 "[ . 1 . 2]" 1
633 1 48 SER HB3 1 97 ASN HD21 . . 4.370 2.903 2.029 3.503 . 0 0 "[ . 1 . 2]" 1
634 1 48 SER HB3 1 97 ASN HB2 . . 4.320 2.820 2.301 3.509 . 0 0 "[ . 1 . 2]" 1
635 1 15 ARG HG2 1 48 SER HB2 . . 4.380 2.918 2.273 3.269 . 0 0 "[ . 1 . 2]" 1
636 1 14 VAL HB 1 15 ARG H . . 4.410 4.317 2.755 4.503 0.093 20 0 "[ . 1 . 2]" 1
637 1 85 PRO HB2 1 86 ALA H . . 4.330 3.297 3.086 3.431 . 0 0 "[ . 1 . 2]" 1
638 1 114 PRO HB3 1 115 GLU H . . 4.080 3.842 3.610 4.177 0.097 4 0 "[ . 1 . 2]" 1
639 1 114 PRO HB2 1 115 GLU H . . 4.200 3.455 3.100 3.926 . 0 0 "[ . 1 . 2]" 1
640 1 80 VAL H 1 80 VAL HB . . 3.680 2.451 2.315 2.609 . 0 0 "[ . 1 . 2]" 1
641 1 36 ILE H 1 80 VAL HB . . 4.160 2.891 2.397 3.217 . 0 0 "[ . 1 . 2]" 1
642 1 18 PRO HB3 1 95 ALA MB . . 3.490 3.116 2.922 3.345 . 0 0 "[ . 1 . 2]" 1
643 1 18 PRO HB3 1 50 LEU QD . . 3.640 2.330 1.756 2.719 . 0 0 "[ . 1 . 2]" 1
644 1 18 PRO HB2 1 19 HIS H . . 4.190 2.746 2.026 3.857 . 0 0 "[ . 1 . 2]" 1
645 1 18 PRO HB2 1 45 ASP HA . . 4.090 3.746 3.233 4.112 0.022 5 0 "[ . 1 . 2]" 1
646 1 112 SER H 1 112 SER QB . . 3.470 2.372 2.171 2.663 . 0 0 "[ . 1 . 2]" 1
647 1 49 PRO HB2 1 50 LEU H . . 3.890 3.523 3.055 3.891 0.001 19 0 "[ . 1 . 2]" 1
648 1 32 GLU H 1 32 GLU HB3 . . 4.170 3.231 3.119 3.471 . 0 0 "[ . 1 . 2]" 1
649 1 49 PRO HB3 1 50 LEU H . . 4.170 3.890 3.583 4.149 . 0 0 "[ . 1 . 2]" 1
650 1 32 GLU H 1 32 GLU HB2 . . 4.040 2.233 2.096 2.407 . 0 0 "[ . 1 . 2]" 1
651 1 32 GLU HB2 1 35 ALA MB . . 3.680 2.763 2.152 3.095 . 0 0 "[ . 1 . 2]" 1
652 1 111 VAL HA 1 112 SER QB . . 4.310 4.109 3.985 4.229 . 0 0 "[ . 1 . 2]" 1
653 1 85 PRO HG3 1 116 SER HB2 . . 4.220 3.188 2.134 4.509 0.289 16 0 "[ . 1 . 2]" 1
654 1 85 PRO HB3 1 116 SER HB2 . . 4.190 3.151 2.173 5.083 0.893 13 2 "[ . -1 + . 2]" 1
655 1 59 GLU HB2 1 89 TYR QE . . 4.190 3.269 2.303 3.814 . 0 0 "[ . 1 . 2]" 1
656 1 59 GLU H 1 59 GLU HB2 . . 3.930 2.344 2.110 3.472 . 0 0 "[ . 1 . 2]" 1
657 1 59 GLU H 1 59 GLU HB3 . . 3.920 2.766 2.542 2.966 . 0 0 "[ . 1 . 2]" 1
658 1 74 LYS H 1 74 LYS HB2 . . 3.870 2.404 2.165 2.620 . 0 0 "[ . 1 . 2]" 1
659 1 57 MET HG2 1 89 TYR QD . . 4.000 2.894 2.545 3.204 . 0 0 "[ . 1 . 2]" 1
660 1 57 MET HG3 1 89 TYR QD . . 3.960 2.965 2.045 3.424 . 0 0 "[ . 1 . 2]" 1
661 1 74 LYS HB2 1 74 LYS HD2 . . 3.960 3.638 2.606 4.210 0.250 4 0 "[ . 1 . 2]" 1
662 1 57 MET HG2 1 59 GLU HB2 . . 4.280 4.105 3.752 4.408 0.128 15 0 "[ . 1 . 2]" 1
663 1 85 PRO HA 1 86 ALA H . . 3.380 2.233 2.198 2.296 . 0 0 "[ . 1 . 2]" 1
664 1 85 PRO HA 1 113 LEU HB3 . . 3.310 1.971 1.899 2.000 . 0 0 "[ . 1 . 2]" 1
665 1 85 PRO HA 1 113 LEU HB2 . . 3.640 3.551 3.407 3.642 0.002 8 0 "[ . 1 . 2]" 1
666 1 53 TYR QE 1 73 PRO HA . . 3.730 2.678 1.995 3.721 . 0 0 "[ . 1 . 2]" 1
667 1 53 TYR QD 1 73 PRO HA . . 3.600 2.562 2.108 3.283 . 0 0 "[ . 1 . 2]" 1
668 1 21 PRO HA 1 43 PRO HG3 . . 4.120 2.357 1.976 2.677 . 0 0 "[ . 1 . 2]" 1
669 1 63 PRO HA 1 64 TRP H . . 2.980 2.231 2.189 2.253 . 0 0 "[ . 1 . 2]" 1
670 1 29 SER H 1 29 SER HB2 . . 3.900 2.478 2.184 3.576 . 0 0 "[ . 1 . 2]" 1
671 1 29 SER H 1 29 SER HB3 . . 3.950 3.083 2.506 3.657 . 0 0 "[ . 1 . 2]" 1
672 1 52 ARG HB2 1 53 TYR H . . 4.350 2.232 1.915 2.484 . 0 0 "[ . 1 . 2]" 1
673 1 52 ARG HB2 1 70 SER HA . . 4.370 2.892 2.394 3.314 . 0 0 "[ . 1 . 2]" 1
674 1 21 PRO HA 1 43 PRO HB3 . . 4.020 2.985 2.346 3.506 . 0 0 "[ . 1 . 2]" 1
675 1 87 ARG HB2 1 88 SER H . . 4.330 4.197 4.099 4.274 . 0 0 "[ . 1 . 2]" 1
676 1 87 ARG HB2 1 89 TYR QE . . 4.080 2.841 2.009 3.370 . 0 0 "[ . 1 . 2]" 1
677 1 33 ARG H 1 33 ARG HB2 . . 4.080 2.306 2.122 2.713 . 0 0 "[ . 1 . 2]" 1
678 1 33 ARG H 1 33 ARG HB3 . . 4.140 3.499 3.422 3.641 . 0 0 "[ . 1 . 2]" 1
679 1 24 PRO HB3 1 108 THR MG . . 3.940 3.162 2.824 3.468 . 0 0 "[ . 1 . 2]" 1
680 1 8 ARG HB2 1 8 ARG HG2 . . 2.970 2.852 2.582 3.048 0.078 17 0 "[ . 1 . 2]" 1
681 1 33 ARG HB3 1 33 ARG QD . . 3.890 2.308 2.031 3.390 . 0 0 "[ . 1 . 2]" 1
682 1 15 ARG HB2 1 15 ARG HD2 . . 4.250 2.644 2.235 3.203 . 0 0 "[ . 1 . 2]" 1
683 1 15 ARG HB2 1 15 ARG HD3 . . 4.240 3.760 3.473 4.044 . 0 0 "[ . 1 . 2]" 1
684 1 15 ARG HB2 1 99 VAL QG . . 4.030 3.264 2.767 3.875 . 0 0 "[ . 1 . 2]" 1
685 1 110 ARG H 1 110 ARG HB3 . . 3.700 3.090 2.976 3.332 . 0 0 "[ . 1 . 2]" 1
686 1 110 ARG HB3 1 110 ARG HD2 . . 3.980 2.330 2.008 3.777 . 0 0 "[ . 1 . 2]" 1
687 1 49 PRO HA 1 50 LEU H . . 2.860 2.199 2.149 2.307 . 0 0 "[ . 1 . 2]" 1
688 1 70 SER H 1 70 SER HB3 . . 4.120 2.456 2.084 3.513 . 0 0 "[ . 1 . 2]" 1
689 1 52 ARG HD3 1 70 SER HB2 . . 4.360 3.850 3.412 4.790 0.430 15 0 "[ . 1 . 2]" 1
690 1 13 ARG HB2 1 13 ARG HG3 . . 3.030 2.910 2.785 3.009 . 0 0 "[ . 1 . 2]" 1
691 1 8 ARG HB3 1 8 ARG HG2 . . 2.660 2.639 2.265 3.049 0.389 15 0 "[ . 1 . 2]" 1
692 1 24 PRO HA 1 25 VAL H . . 2.900 2.319 2.172 2.408 . 0 0 "[ . 1 . 2]" 1
693 1 24 PRO HA 1 40 TRP HB2 . . 3.920 3.345 3.170 3.527 . 0 0 "[ . 1 . 2]" 1
694 1 24 PRO HA 1 40 TRP HB3 . . 4.070 2.646 2.480 2.845 . 0 0 "[ . 1 . 2]" 1
695 1 114 PRO HA 1 115 GLU H . . 2.970 2.210 2.148 2.292 . 0 0 "[ . 1 . 2]" 1
696 1 71 VAL HA 1 72 ASP H . . 3.190 2.341 2.296 2.367 . 0 0 "[ . 1 . 2]" 1
697 1 115 GLU H 1 115 GLU HB2 . . 3.810 2.240 2.062 3.547 . 0 0 "[ . 1 . 2]" 1
698 1 115 GLU H 1 115 GLU HB3 . . 3.690 2.857 2.746 3.263 . 0 0 "[ . 1 . 2]" 1
699 1 31 VAL HA 1 31 VAL QG . . 2.930 2.214 2.069 2.422 . 0 0 "[ . 1 . 2]" 1
700 1 71 VAL HA 1 72 ASP HB2 . . 4.270 4.290 4.264 4.339 0.069 18 0 "[ . 1 . 2]" 1
701 1 25 VAL HA 1 26 ALA H . . 2.890 2.257 2.187 2.350 . 0 0 "[ . 1 . 2]" 1
702 1 103 GLN HB3 1 104 PHE H . . 4.140 3.621 2.606 3.920 . 0 0 "[ . 1 . 2]" 1
703 1 103 GLN H 1 103 GLN HB3 . . 3.500 3.314 2.906 3.673 0.173 12 0 "[ . 1 . 2]" 1
704 1 20 ALA MB 1 103 GLN HB3 . . 4.040 3.842 1.971 4.162 0.122 20 0 "[ . 1 . 2]" 1
705 1 30 THR HA 1 30 THR MG . . 3.140 2.512 2.209 2.692 . 0 0 "[ . 1 . 2]" 1
706 1 14 VAL HA 1 15 ARG H . . 2.730 2.220 2.187 2.391 . 0 0 "[ . 1 . 2]" 1
707 1 14 VAL HA 1 15 ARG HA . . 4.300 4.290 4.244 4.307 0.007 17 0 "[ . 1 . 2]" 1
708 1 14 VAL HA 1 14 VAL QG . . 3.000 2.143 2.052 2.242 . 0 0 "[ . 1 . 2]" 1
709 1 58 SER HB2 1 90 GLN HB2 . . 4.280 3.865 3.600 4.270 . 0 0 "[ . 1 . 2]" 1
710 1 96 VAL MG2 1 101 LYS QD . . 3.530 3.037 1.741 3.419 . 0 0 "[ . 1 . 2]" 1
711 1 79 THR HA 1 80 VAL H . . 3.080 2.172 2.149 2.205 . 0 0 "[ . 1 . 2]" 1
712 1 18 PRO HA 1 19 HIS H . . 3.180 2.456 2.149 2.742 . 0 0 "[ . 1 . 2]" 1
713 1 18 PRO HA 1 45 ASP HA . . 3.810 3.129 2.427 3.890 0.080 1 0 "[ . 1 . 2]" 1
714 1 18 PRO HA 1 46 GLY HA3 . . 4.190 3.964 3.560 4.276 0.086 17 0 "[ . 1 . 2]" 1
715 1 108 THR HA 1 109 GLU H . . 3.070 2.359 2.227 2.642 . 0 0 "[ . 1 . 2]" 1
716 1 51 ILE HA 1 73 PRO HG3 . . 3.810 2.943 2.737 3.222 . 0 0 "[ . 1 . 2]" 1
717 1 51 ILE HA 1 51 ILE HG12 . . 3.370 2.373 2.250 2.769 . 0 0 "[ . 1 . 2]" 1
718 1 51 ILE HA 1 51 ILE HG13 . . 3.660 2.900 2.669 3.677 0.017 5 0 "[ . 1 . 2]" 1
719 1 51 ILE HA 1 51 ILE MD . . 4.060 3.554 1.952 3.766 . 0 0 "[ . 1 . 2]" 1
720 1 109 GLU H 1 109 GLU HB2 . . 3.520 2.262 2.027 3.061 . 0 0 "[ . 1 . 2]" 1
721 1 109 GLU HB3 1 110 ARG H . . 4.160 3.974 3.577 4.583 0.423 17 0 "[ . 1 . 2]" 1
722 1 78 VAL HA 1 79 THR H . . 2.940 2.383 2.333 2.402 . 0 0 "[ . 1 . 2]" 1
723 1 80 VAL HA 1 81 LYS H . . 3.010 2.261 2.195 2.361 . 0 0 "[ . 1 . 2]" 1
724 1 28 LEU QD 1 36 ILE HG13 . . 4.150 2.605 1.869 3.410 . 0 0 "[ . 1 . 2]" 1
725 1 28 LEU QD 1 36 ILE HG12 . . 3.960 2.060 1.828 2.433 . 0 0 "[ . 1 . 2]" 1
726 1 41 THR HA 1 42 LYS H . . 3.000 2.359 2.339 2.385 . 0 0 "[ . 1 . 2]" 1
727 1 113 LEU H 1 113 LEU HG . . 4.250 4.216 3.960 4.313 0.063 3 0 "[ . 1 . 2]" 1
728 1 106 LYS HA 1 106 LYS QD . . 4.320 2.670 1.915 3.997 . 0 0 "[ . 1 . 2]" 1
729 1 54 ILE HA 1 55 LEU H . . 3.130 2.212 2.189 2.226 . 0 0 "[ . 1 . 2]" 1
730 1 54 ILE HA 1 54 ILE HG13 . . 4.130 3.063 2.897 3.639 . 0 0 "[ . 1 . 2]" 1
731 1 54 ILE HA 1 54 ILE MD . . 4.240 3.742 1.863 3.925 . 0 0 "[ . 1 . 2]" 1
732 1 74 LYS HB3 1 74 LYS HD2 . . 3.530 2.940 2.411 4.014 0.484 8 0 "[ . 1 . 2]" 1
733 1 96 VAL HA 1 97 ASN H . . 3.150 2.203 2.183 2.228 . 0 0 "[ . 1 . 2]" 1
734 1 111 VAL HA 1 112 SER H . . 2.880 2.194 2.181 2.229 . 0 0 "[ . 1 . 2]" 1
735 1 104 PHE HA 1 105 SER H . . 3.240 2.433 2.284 2.701 . 0 0 "[ . 1 . 2]" 1
736 1 104 PHE HA 1 104 PHE QD . . 3.850 3.182 3.109 3.217 . 0 0 "[ . 1 . 2]" 1
737 1 94 CYS HB2 1 104 PHE HA . . 4.290 3.119 2.694 3.490 . 0 0 "[ . 1 . 2]" 1
738 1 94 CYS HB3 1 104 PHE HA . . 3.880 2.002 1.962 2.206 . 0 0 "[ . 1 . 2]" 1
739 1 39 THR HA 1 77 SER HA . . 3.490 2.342 2.034 2.575 . 0 0 "[ . 1 . 2]" 1
740 1 62 ALA HA 1 63 PRO HG2 . . 4.670 4.578 4.555 4.601 . 0 0 "[ . 1 . 2]" 1
741 1 27 THR HA 1 28 LEU H . . 2.910 2.319 2.233 2.458 . 0 0 "[ . 1 . 2]" 1
742 1 27 THR HA 1 28 LEU HB2 . . 4.160 4.276 4.167 4.419 0.259 2 0 "[ . 1 . 2]" 1
743 1 36 ILE HA 1 37 ASN H . . 3.160 2.262 2.185 2.354 . 0 0 "[ . 1 . 2]" 1
744 1 29 SER H 1 36 ILE HA . . 3.740 2.945 2.654 3.336 . 0 0 "[ . 1 . 2]" 1
745 1 36 ILE HA 1 36 ILE HG13 . . 4.100 2.872 2.657 3.082 . 0 0 "[ . 1 . 2]" 1
746 1 36 ILE HA 1 36 ILE HG12 . . 3.880 2.539 2.415 2.738 . 0 0 "[ . 1 . 2]" 1
747 1 40 TRP HZ2 1 76 THR HA . . 4.270 3.011 2.888 3.130 . 0 0 "[ . 1 . 2]" 1
748 1 15 ARG H 1 15 ARG HG3 . . 4.140 2.962 2.206 3.522 . 0 0 "[ . 1 . 2]" 1
749 1 15 ARG HG3 1 99 VAL QG . . 4.480 3.559 3.137 4.372 . 0 0 "[ . 1 . 2]" 1
750 1 15 ARG H 1 15 ARG HG2 . . 4.250 3.894 3.474 4.246 . 0 0 "[ . 1 . 2]" 1
751 1 15 ARG HA 1 15 ARG HG2 . . 3.920 2.327 2.072 2.663 . 0 0 "[ . 1 . 2]" 1
752 1 15 ARG HG2 1 99 VAL QG . . 4.290 2.421 1.832 3.766 . 0 0 "[ . 1 . 2]" 1
753 1 51 ILE H 1 51 ILE HG12 . . 4.180 3.996 2.820 4.221 0.041 1 0 "[ . 1 . 2]" 1
754 1 51 ILE H 1 51 ILE HG13 . . 4.280 3.226 2.966 4.163 . 0 0 "[ . 1 . 2]" 1
755 1 51 ILE HG13 1 97 ASN HA . . 4.140 2.459 2.126 3.087 . 0 0 "[ . 1 . 2]" 1
756 1 33 ARG HB2 1 33 ARG HG2 . . 2.900 2.646 2.548 2.901 0.001 9 0 "[ . 1 . 2]" 1
757 1 55 LEU QD 1 91 PHE QD . . 3.320 2.288 1.947 2.629 . 0 0 "[ . 1 . 2]" 1
758 1 55 LEU HA 1 55 LEU QD . . 3.160 2.240 1.946 2.755 . 0 0 "[ . 1 . 2]" 1
759 1 55 LEU QD 1 67 LEU QD . . 3.170 2.699 1.646 3.076 . 0 0 "[ . 1 . 2]" 1
760 1 55 LEU QD 1 80 VAL QG . . 3.410 2.366 2.071 2.655 . 0 0 "[ . 1 . 2]" 1
761 1 13 ARG HB3 1 13 ARG HG3 . . 2.930 2.850 2.710 2.969 0.039 16 0 "[ . 1 . 2]" 1
762 1 28 LEU HB2 1 28 LEU HG . . 2.950 2.535 2.432 2.947 . 0 0 "[ . 1 . 2]" 1
763 1 18 PRO HG2 1 102 GLY H . . 4.060 3.257 2.769 3.657 . 0 0 "[ . 1 . 2]" 1
764 1 17 LEU HA 1 18 PRO HG2 . . 4.340 4.530 4.471 4.579 0.239 18 0 "[ . 1 . 2]" 1
765 1 28 LEU H 1 28 LEU HG . . 3.620 3.376 3.047 4.039 0.419 19 0 "[ . 1 . 2]" 1
766 1 67 LEU QD 1 91 PHE QD . . 4.060 3.642 2.313 4.052 . 0 0 "[ . 1 . 2]" 1
767 1 67 LEU QD 1 91 PHE QE . . 3.510 2.557 1.901 3.078 . 0 0 "[ . 1 . 2]" 1
768 1 57 MET ME 1 67 LEU QD . . 2.890 2.090 1.835 2.568 . 0 0 "[ . 1 . 2]" 1
769 1 57 MET HB3 1 67 LEU QD . . 3.700 2.385 1.784 3.301 . 0 0 "[ . 1 . 2]" 1
770 1 67 LEU QD 1 80 VAL QG . . 3.230 2.007 1.630 2.376 . 0 0 "[ . 1 . 2]" 1
771 1 12 LEU HB3 1 12 LEU HG . . 2.840 2.758 2.425 3.025 0.185 14 0 "[ . 1 . 2]" 1
772 1 83 LEU H 1 83 LEU HG . . 4.310 3.702 2.852 4.458 0.148 9 0 "[ . 1 . 2]" 1
773 1 21 PRO HG3 1 93 LEU HG . . 4.100 2.008 1.927 2.170 . 0 0 "[ . 1 . 2]" 1
774 1 40 TRP HH2 1 71 VAL MG1 . . 4.010 3.305 3.035 3.595 . 0 0 "[ . 1 . 2]" 1
775 1 89 TYR HA 1 90 GLN H . . 3.020 2.216 2.188 2.293 . 0 0 "[ . 1 . 2]" 1
776 1 89 TYR HA 1 89 TYR QD . . 3.830 2.585 2.348 2.922 . 0 0 "[ . 1 . 2]" 1
777 1 29 SER HA 1 37 ASN HD21 . . 4.290 2.607 1.937 3.078 . 0 0 "[ . 1 . 2]" 1
778 1 29 SER HA 1 37 ASN HD22 . . 4.270 3.945 3.508 4.318 0.048 16 0 "[ . 1 . 2]" 1
779 1 27 THR H 1 38 LEU QD . . 4.060 3.835 3.565 4.054 . 0 0 "[ . 1 . 2]" 1
780 1 38 LEU QD 1 39 THR H . . 3.980 2.668 2.135 3.371 . 0 0 "[ . 1 . 2]" 1
781 1 38 LEU QD 1 91 PHE QD . . 3.680 2.207 1.766 2.677 . 0 0 "[ . 1 . 2]" 1
782 1 38 LEU QD 1 91 PHE QE . . 4.170 3.541 2.992 4.066 . 0 0 "[ . 1 . 2]" 1
783 1 38 LEU QD 1 40 TRP HE3 . . 4.260 2.020 1.767 2.424 . 0 0 "[ . 1 . 2]" 1
784 1 38 LEU HA 1 38 LEU QD . . 3.630 2.091 1.765 2.630 . 0 0 "[ . 1 . 2]" 1
785 1 26 ALA HA 1 38 LEU QD . . 3.600 2.255 1.925 2.659 . 0 0 "[ . 1 . 2]" 1
786 1 38 LEU QD 1 91 PHE HB3 . . 3.940 2.257 1.908 2.634 . 0 0 "[ . 1 . 2]" 1
787 1 38 LEU QD 1 91 PHE HB2 . . 3.790 1.971 1.841 2.109 . 0 0 "[ . 1 . 2]" 1
788 1 44 PHE HA 1 45 ASP H . . 3.110 2.234 2.200 2.417 . 0 0 "[ . 1 . 2]" 1
789 1 44 PHE HA 1 44 PHE QD . . 3.370 3.127 2.101 3.296 . 0 0 "[ . 1 . 2]" 1
790 1 68 LEU HB3 1 68 LEU MD1 . . 3.560 2.440 2.280 2.580 . 0 0 "[ . 1 . 2]" 1
791 1 68 LEU MD1 1 71 VAL MG1 . . 3.660 3.488 3.108 3.660 . 0 0 "[ . 1 . 2]" 1
792 1 55 LEU QD 1 68 LEU MD1 . . 3.480 3.176 2.494 3.483 0.003 17 0 "[ . 1 . 2]" 1
793 1 45 ASP QB 1 50 LEU QD . . 3.480 2.739 1.634 3.050 . 0 0 "[ . 1 . 2]" 1
794 1 50 LEU H 1 50 LEU QD . . 3.820 2.848 1.660 3.155 . 0 0 "[ . 1 . 2]" 1
795 1 42 LYS HG2 1 50 LEU QD . . 4.000 3.137 2.710 3.929 . 0 0 "[ . 1 . 2]" 1
796 1 50 LEU QD 1 95 ALA MB . . 2.970 2.089 1.881 2.705 . 0 0 "[ . 1 . 2]" 1
797 1 105 SER HA 1 106 LYS H . . 3.350 2.424 2.303 2.521 . 0 0 "[ . 1 . 2]" 1
798 1 113 LEU QD 1 114 PRO HG2 . . 4.140 3.463 3.178 4.020 . 0 0 "[ . 1 . 2]" 1
799 1 86 ALA H 1 113 LEU QD . . 4.090 3.504 3.291 3.617 . 0 0 "[ . 1 . 2]" 1
800 1 35 ALA H 1 113 LEU QD . . 4.200 3.452 3.078 3.739 . 0 0 "[ . 1 . 2]" 1
801 1 89 TYR QE 1 113 LEU QD . . 3.750 2.591 1.959 3.331 . 0 0 "[ . 1 . 2]" 1
802 1 113 LEU HA 1 113 LEU QD . . 3.550 2.579 1.746 2.893 . 0 0 "[ . 1 . 2]" 1
803 1 85 PRO HA 1 113 LEU QD . . 3.690 1.967 1.911 2.049 . 0 0 "[ . 1 . 2]" 1
804 1 113 LEU QD 1 114 PRO HD3 . . 4.080 2.982 2.067 3.552 . 0 0 "[ . 1 . 2]" 1
805 1 113 LEU QD 1 114 PRO HD2 . . 3.810 2.045 1.703 2.542 . 0 0 "[ . 1 . 2]" 1
806 1 34 ARG HA 1 113 LEU QD . . 3.350 1.888 1.727 2.180 . 0 0 "[ . 1 . 2]" 1
807 1 34 ARG HB3 1 113 LEU QD . . 4.120 2.883 1.864 3.352 . 0 0 "[ . 1 . 2]" 1
808 1 83 LEU QD 1 113 LEU QD . . 3.180 1.891 1.785 2.018 . 0 0 "[ . 1 . 2]" 1
809 1 81 LYS HA 1 81 LYS HG2 . . 3.970 2.725 2.492 3.025 . 0 0 "[ . 1 . 2]" 1
810 1 38 LEU HB3 1 38 LEU QD . . 3.200 2.088 1.924 2.269 . 0 0 "[ . 1 . 2]" 1
811 1 38 LEU QD 1 93 LEU QD . . 3.810 1.920 1.648 2.156 . 0 0 "[ . 1 . 2]" 1
812 1 25 VAL H 1 40 TRP HA . . 4.140 3.135 2.990 3.392 . 0 0 "[ . 1 . 2]" 1
813 1 40 TRP HA 1 41 THR H . . 3.230 2.639 2.534 2.746 . 0 0 "[ . 1 . 2]" 1
814 1 24 PRO HA 1 40 TRP HA . . 3.550 2.764 2.560 2.905 . 0 0 "[ . 1 . 2]" 1
815 1 64 TRP HA 1 65 THR H . . 3.140 2.213 2.206 2.219 . 0 0 "[ . 1 . 2]" 1
816 1 64 TRP HA 1 64 TRP HE3 . . 3.920 2.202 2.116 2.313 . 0 0 "[ . 1 . 2]" 1
817 1 17 LEU H 1 17 LEU QD . . 3.780 3.108 1.834 3.510 . 0 0 "[ . 1 . 2]" 1
818 1 17 LEU QD 1 102 GLY HA2 . . 3.770 2.789 2.521 3.143 . 0 0 "[ . 1 . 2]" 1
819 1 36 ILE H 1 83 LEU QD . . 4.100 3.304 2.928 3.638 . 0 0 "[ . 1 . 2]" 1
820 1 83 LEU QD 1 91 PHE QE . . 4.140 3.048 2.732 3.306 . 0 0 "[ . 1 . 2]" 1
821 1 83 LEU QD 1 89 TYR QD . . 3.850 2.790 2.603 3.191 . 0 0 "[ . 1 . 2]" 1
822 1 83 LEU QD 1 91 PHE HZ . . 3.590 2.222 1.893 2.570 . 0 0 "[ . 1 . 2]" 1
823 1 80 VAL HB 1 83 LEU QD . . 3.820 2.610 2.456 2.793 . 0 0 "[ . 1 . 2]" 1
824 1 36 ILE HG13 1 83 LEU QD . . 3.700 2.156 1.855 2.474 . 0 0 "[ . 1 . 2]" 1
825 1 83 LEU HB2 1 83 LEU QD . . 3.090 2.210 2.024 2.469 . 0 0 "[ . 1 . 2]" 1
826 1 36 ILE MD 1 83 LEU QD . . 2.990 1.734 1.634 2.028 . 0 0 "[ . 1 . 2]" 1
827 1 80 VAL QG 1 83 LEU QD . . 3.080 1.803 1.622 1.980 . 0 0 "[ . 1 . 2]" 1
828 1 110 ARG HA 1 111 VAL H . . 3.060 2.263 2.226 2.277 . 0 0 "[ . 1 . 2]" 1
829 1 90 GLN HA 1 110 ARG HA . . 4.350 4.072 3.601 4.374 0.024 18 0 "[ . 1 . 2]" 1
830 1 90 GLN HG2 1 110 ARG HA . . 3.760 3.084 2.371 3.407 . 0 0 "[ . 1 . 2]" 1
831 1 90 GLN HG3 1 110 ARG HA . . 3.980 3.244 2.778 3.506 . 0 0 "[ . 1 . 2]" 1
832 1 89 TYR QD 1 113 LEU QD . . 3.240 2.332 1.969 2.904 . 0 0 "[ . 1 . 2]" 1
833 1 91 PHE HA 1 92 ARG H . . 3.340 2.310 2.235 2.423 . 0 0 "[ . 1 . 2]" 1
834 1 91 PHE HA 1 91 PHE QD . . 4.030 2.321 1.917 2.672 . 0 0 "[ . 1 . 2]" 1
835 1 64 TRP HZ3 1 91 PHE HA . . 3.660 3.508 2.785 3.722 0.062 19 0 "[ . 1 . 2]" 1
836 1 57 MET HA 1 91 PHE HA . . 3.680 2.411 2.242 2.562 . 0 0 "[ . 1 . 2]" 1
837 1 34 ARG HA 1 34 ARG HG3 . . 4.190 3.205 2.142 3.917 . 0 0 "[ . 1 . 2]" 1
838 1 34 ARG HA 1 34 ARG HG2 . . 3.960 2.729 2.317 3.398 . 0 0 "[ . 1 . 2]" 1
839 1 28 LEU H 1 28 LEU QD . . 3.890 3.428 2.950 3.573 . 0 0 "[ . 1 . 2]" 1
840 1 28 LEU QD 1 29 SER H . . 3.970 2.127 1.899 2.863 . 0 0 "[ . 1 . 2]" 1
841 1 28 LEU QD 1 113 LEU HA . . 3.430 2.132 1.840 2.531 . 0 0 "[ . 1 . 2]" 1
842 1 28 LEU QD 1 114 PRO HD3 . . 3.400 1.752 1.662 1.853 . 0 0 "[ . 1 . 2]" 1
843 1 28 LEU QD 1 114 PRO HD2 . . 3.640 2.678 1.944 2.980 . 0 0 "[ . 1 . 2]" 1
844 1 55 LEU QD 1 56 GLU H . . 3.370 2.438 1.889 3.334 . 0 0 "[ . 1 . 2]" 1
845 1 55 LEU QD 1 92 ARG H . . 3.770 2.147 1.793 2.659 . 0 0 "[ . 1 . 2]" 1
846 1 55 LEU QD 1 91 PHE HA . . 3.700 2.899 2.407 3.549 . 0 0 "[ . 1 . 2]" 1
847 1 55 LEU QD 1 91 PHE HB3 . . 3.330 2.183 2.045 2.421 . 0 0 "[ . 1 . 2]" 1
848 1 55 LEU QD 1 91 PHE HB2 . . 3.690 3.612 3.483 3.807 0.117 16 0 "[ . 1 . 2]" 1
849 1 85 PRO HB2 1 115 GLU HA . . 3.850 2.382 1.975 2.939 . 0 0 "[ . 1 . 2]" 1
850 1 115 GLU HA 1 115 GLU HG3 . . 3.810 2.677 2.115 3.632 . 0 0 "[ . 1 . 2]" 1
851 1 53 TYR QD 1 93 LEU QD . . 3.710 1.969 1.765 2.233 . 0 0 "[ . 1 . 2]" 1
852 1 53 TYR HB3 1 93 LEU QD . . 4.280 2.113 1.951 2.494 . 0 0 "[ . 1 . 2]" 1
853 1 21 PRO HG2 1 93 LEU QD . . 3.900 2.809 2.181 3.113 . 0 0 "[ . 1 . 2]" 1
854 1 109 GLU HA 1 110 ARG H . . 2.860 2.212 2.202 2.231 . 0 0 "[ . 1 . 2]" 1
855 1 109 GLU HA 1 110 ARG HB2 . . 4.280 4.282 4.188 4.335 0.055 17 0 "[ . 1 . 2]" 1
856 1 106 LYS HA 1 107 ASP H . . 2.800 2.437 2.399 2.508 . 0 0 "[ . 1 . 2]" 1
857 1 106 LYS HA 1 106 LYS HG2 . . 4.010 3.014 2.261 4.246 0.236 11 0 "[ . 1 . 2]" 1
858 1 106 LYS H 1 106 LYS HG2 . . 4.050 3.175 2.496 4.019 . 0 0 "[ . 1 . 2]" 1
859 1 106 LYS H 1 106 LYS HG3 . . 4.060 3.430 2.311 4.097 0.037 4 0 "[ . 1 . 2]" 1
860 1 53 TYR HA 1 54 ILE H . . 3.460 2.234 2.192 2.331 . 0 0 "[ . 1 . 2]" 1
861 1 53 TYR HA 1 96 VAL H . . 4.120 3.135 2.768 3.548 . 0 0 "[ . 1 . 2]" 1
862 1 53 TYR HA 1 53 TYR QD . . 4.220 3.066 2.502 3.141 . 0 0 "[ . 1 . 2]" 1
863 1 53 TYR HA 1 95 ALA HA . . 3.620 3.438 3.134 3.638 0.018 10 0 "[ . 1 . 2]" 1
864 1 53 TYR HA 1 54 ILE HG13 . . 4.390 3.600 3.267 5.339 0.949 7 1 "[ . + 1 . 2]" 1
865 1 52 ARG HB3 1 70 SER HA . . 4.250 3.858 3.560 4.042 . 0 0 "[ . 1 . 2]" 1
866 1 101 LYS H 1 101 LYS HG2 . . 4.740 4.311 4.041 4.575 . 0 0 "[ . 1 . 2]" 1
867 1 101 LYS H 1 101 LYS HG3 . . 4.270 4.649 4.300 4.911 0.641 13 4 "[ . -1 +*. *]" 1
868 1 96 VAL MG2 1 101 LYS HG3 . . 3.780 1.900 1.758 2.199 . 0 0 "[ . 1 . 2]" 1
869 1 28 LEU QD 1 36 ILE HA . . 4.170 2.885 2.201 3.667 . 0 0 "[ . 1 . 2]" 1
870 1 28 LEU HA 1 28 LEU QD . . 3.160 2.079 1.908 2.834 . 0 0 "[ . 1 . 2]" 1
871 1 28 LEU QD 1 114 PRO HG3 . . 3.590 2.311 1.927 2.653 . 0 0 "[ . 1 . 2]" 1
872 1 88 SER HA 1 89 TYR H . . 3.200 2.357 2.307 2.410 . 0 0 "[ . 1 . 2]" 1
873 1 88 SER HA 1 89 TYR QD . . 4.350 3.972 3.406 4.292 . 0 0 "[ . 1 . 2]" 1
874 1 74 LYS HA 1 74 LYS HD3 . . 4.130 4.165 2.134 4.653 0.523 16 2 "[ . 1 .+ - 2]" 1
875 1 74 LYS HA 1 74 LYS HG2 . . 3.530 2.534 2.277 3.153 . 0 0 "[ . 1 . 2]" 1
876 1 33 ARG HA 1 34 ARG H . . 3.150 2.347 2.244 3.194 0.044 9 0 "[ . 1 . 2]" 1
877 1 33 ARG HA 1 35 ALA H . . 4.070 3.783 3.317 4.269 0.199 9 0 "[ . 1 . 2]" 1
878 1 33 ARG HA 1 33 ARG HG2 . . 3.460 2.620 2.475 3.614 0.154 7 0 "[ . 1 . 2]" 1
879 1 15 ARG HA 1 16 GLN H . . 2.940 2.334 2.281 2.482 . 0 0 "[ . 1 . 2]" 1
880 1 15 ARG HA 1 47 ASN HB2 . . 3.660 2.812 1.989 3.953 0.293 5 0 "[ . 1 . 2]" 1
881 1 8 ARG HA 1 8 ARG HG3 . . 4.080 3.091 1.980 4.229 0.149 12 0 "[ . 1 . 2]" 1
882 1 55 LEU QD 1 93 LEU QD . . 3.440 2.156 1.750 2.847 . 0 0 "[ . 1 . 2]" 1
883 1 92 ARG HA 1 93 LEU H . . 3.330 2.235 2.226 2.254 . 0 0 "[ . 1 . 2]" 1
884 1 92 ARG HA 1 105 SER HG . . 3.790 2.313 1.993 2.637 . 0 0 "[ . 1 . 2]" 1
885 1 28 LEU HA 1 37 ASN H . . 4.160 3.180 2.706 3.659 . 0 0 "[ . 1 . 2]" 1
886 1 28 LEU HA 1 29 SER H . . 3.110 2.562 2.477 2.688 . 0 0 "[ . 1 . 2]" 1
887 1 28 LEU HA 1 36 ILE HA . . 3.500 2.165 1.834 2.529 . 0 0 "[ . 1 . 2]" 1
888 1 28 LEU HA 1 28 LEU HG . . 4.080 2.536 2.082 2.691 . 0 0 "[ . 1 . 2]" 1
889 1 28 LEU HA 1 36 ILE HG12 . . 4.000 2.309 2.021 2.620 . 0 0 "[ . 1 . 2]" 1
890 1 28 LEU HA 1 36 ILE MG . . 3.770 2.774 2.162 3.297 . 0 0 "[ . 1 . 2]" 1
891 1 93 LEU H 1 93 LEU QD . . 3.830 1.931 1.773 2.117 . 0 0 "[ . 1 . 2]" 1
892 1 13 ARG HA 1 14 VAL H . . 3.100 2.304 2.226 2.443 . 0 0 "[ . 1 . 2]" 1
893 1 13 ARG HA 1 47 ASN HD22 . . 4.060 2.919 1.945 4.061 0.001 6 0 "[ . 1 . 2]" 1
894 1 13 ARG HA 1 13 ARG HG2 . . 3.860 3.219 2.926 3.467 . 0 0 "[ . 1 . 2]" 1
895 1 13 ARG HA 1 13 ARG HG3 . . 3.600 2.263 2.017 2.417 . 0 0 "[ . 1 . 2]" 1
896 1 13 ARG HA 1 14 VAL QG . . 4.340 3.965 3.003 4.142 . 0 0 "[ . 1 . 2]" 1
897 1 58 SER HA 1 59 GLU H . . 3.150 2.242 2.215 2.317 . 0 0 "[ . 1 . 2]" 1
898 1 58 SER HA 1 58 SER HG . . 3.890 2.860 2.591 3.486 . 0 0 "[ . 1 . 2]" 1
899 1 50 LEU HA 1 51 ILE H . . 3.330 2.327 2.230 2.535 . 0 0 "[ . 1 . 2]" 1
900 1 50 LEU HA 1 97 ASN HA . . 4.030 2.973 2.548 3.249 . 0 0 "[ . 1 . 2]" 1
901 1 50 LEU HA 1 97 ASN HB2 . . 4.430 3.257 2.610 3.667 . 0 0 "[ . 1 . 2]" 1
902 1 50 LEU HA 1 97 ASN HB3 . . 4.170 2.048 1.962 2.402 . 0 0 "[ . 1 . 2]" 1
903 1 57 MET ME 1 89 TYR QE . . 4.250 2.309 2.003 2.720 . 0 0 "[ . 1 . 2]" 1
904 1 23 HIS HA 1 24 PRO HD2 . . 3.650 2.521 2.484 2.569 . 0 0 "[ . 1 . 2]" 1
905 1 87 ARG HA 1 88 SER H . . 3.190 2.343 2.310 2.385 . 0 0 "[ . 1 . 2]" 1
906 1 87 ARG HA 1 87 ARG HG3 . . 4.200 3.054 2.935 3.246 . 0 0 "[ . 1 . 2]" 1
907 1 87 ARG HA 1 87 ARG HG2 . . 3.950 2.172 2.109 2.230 . 0 0 "[ . 1 . 2]" 1
908 1 22 GLU HA 1 23 HIS H . . 3.170 2.650 2.563 2.707 . 0 0 "[ . 1 . 2]" 1
909 1 103 GLN HA 1 104 PHE H . . 2.900 2.511 2.387 2.612 . 0 0 "[ . 1 . 2]" 1
910 1 103 GLN HA 1 103 GLN QG . . 3.570 3.208 2.071 3.392 . 0 0 "[ . 1 . 2]" 1
911 1 50 LEU QD 1 51 ILE H . . 4.130 3.331 3.083 3.829 . 0 0 "[ . 1 . 2]" 1
912 1 50 LEU QD 1 97 ASN HA . . 3.990 3.931 3.763 3.990 . 15 0 "[ . 1 . 2]" 1
913 1 50 LEU HA 1 50 LEU QD . . 3.290 2.110 1.940 2.422 . 0 0 "[ . 1 . 2]" 1
914 1 45 ASP HA 1 50 LEU QD . . 3.390 2.915 1.913 3.327 . 0 0 "[ . 1 . 2]" 1
915 1 50 LEU QD 1 97 ASN HB3 . . 3.740 2.597 2.121 2.923 . 0 0 "[ . 1 . 2]" 1
916 1 18 PRO HB2 1 50 LEU QD . . 3.300 2.746 2.245 3.068 . 0 0 "[ . 1 . 2]" 1
917 1 18 PRO HG2 1 50 LEU QD . . 4.020 3.313 2.905 3.762 . 0 0 "[ . 1 . 2]" 1
918 1 18 PRO HG3 1 50 LEU QD . . 3.670 2.666 1.991 3.090 . 0 0 "[ . 1 . 2]" 1
919 1 101 LYS HA 1 102 GLY H . . 3.170 2.274 2.177 2.366 . 0 0 "[ . 1 . 2]" 1
920 1 96 VAL HA 1 101 LYS HA . . 3.580 2.137 1.969 2.478 . 0 0 "[ . 1 . 2]" 1
921 1 12 LEU HA 1 12 LEU QD . . 3.260 2.521 1.934 3.025 . 0 0 "[ . 1 . 2]" 1
922 1 56 GLU HB3 1 64 TRP HE3 . . 4.110 2.732 2.460 3.358 . 0 0 "[ . 1 . 2]" 1
923 1 56 GLU HB2 1 64 TRP HE3 . . 4.350 3.762 3.118 4.148 . 0 0 "[ . 1 . 2]" 1
924 1 68 LEU MD2 1 69 ALA H . . 4.180 2.790 2.421 3.009 . 0 0 "[ . 1 . 2]" 1
925 1 68 LEU HA 1 68 LEU MD2 . . 3.180 2.216 1.964 2.513 . 0 0 "[ . 1 . 2]" 1
926 1 12 LEU HA 1 12 LEU HG . . 4.070 2.600 2.110 3.648 . 0 0 "[ . 1 . 2]" 1
927 1 95 ALA H 1 95 ALA MB . . 3.510 2.266 2.203 2.328 . 0 0 "[ . 1 . 2]" 1
928 1 95 ALA MB 1 96 VAL H . . 3.490 3.225 2.947 3.386 . 0 0 "[ . 1 . 2]" 1
929 1 53 TYR QE 1 95 ALA MB . . 3.720 2.791 2.373 3.232 . 0 0 "[ . 1 . 2]" 1
930 1 21 PRO HD3 1 95 ALA MB . . 4.270 3.748 3.480 3.865 . 0 0 "[ . 1 . 2]" 1
931 1 18 PRO HB2 1 95 ALA MB . . 3.120 1.964 1.759 2.227 . 0 0 "[ . 1 . 2]" 1
932 1 18 PRO HG2 1 95 ALA MB . . 3.460 2.353 1.883 2.685 . 0 0 "[ . 1 . 2]" 1
933 1 18 PRO HG3 1 95 ALA MB . . 3.620 3.173 2.854 3.487 . 0 0 "[ . 1 . 2]" 1
934 1 35 ALA MB 1 36 ILE H . . 3.340 2.864 2.337 3.174 . 0 0 "[ . 1 . 2]" 1
935 1 29 SER H 1 35 ALA MB . . 4.350 3.952 3.684 4.338 . 0 0 "[ . 1 . 2]" 1
936 1 35 ALA H 1 35 ALA MB . . 3.120 2.560 2.329 2.686 . 0 0 "[ . 1 . 2]" 1
937 1 29 SER HB2 1 35 ALA MB . . 3.590 2.300 1.973 3.009 . 0 0 "[ . 1 . 2]" 1
938 1 29 SER HB3 1 35 ALA MB . . 3.760 2.551 1.961 3.367 . 0 0 "[ . 1 . 2]" 1
939 1 32 GLU HB3 1 35 ALA MB . . 3.300 1.881 1.788 2.107 . 0 0 "[ . 1 . 2]" 1
940 1 56 GLU HA 1 57 MET H . . 3.390 2.226 2.202 2.272 . 0 0 "[ . 1 . 2]" 1
941 1 56 GLU HA 1 67 LEU H . . 3.840 2.468 2.166 2.833 . 0 0 "[ . 1 . 2]" 1
942 1 90 GLN HA 1 91 PHE H . . 3.390 2.399 2.221 2.573 . 0 0 "[ . 1 . 2]" 1
943 1 90 GLN HA 1 108 THR HG1 . . 4.000 3.087 2.527 3.656 . 0 0 "[ . 1 . 2]" 1
944 1 90 GLN HA 1 90 GLN HG2 . . 4.120 2.292 2.194 2.453 . 0 0 "[ . 1 . 2]" 1
945 1 12 LEU HA 1 13 ARG H . . 3.570 2.546 2.186 3.640 0.070 4 0 "[ . 1 . 2]" 1
946 1 71 VAL H 1 71 VAL MG2 . . 3.340 3.059 2.877 3.186 . 0 0 "[ . 1 . 2]" 1
947 1 71 VAL MG2 1 72 ASP H . . 4.100 3.717 3.579 3.908 . 0 0 "[ . 1 . 2]" 1
948 1 53 TYR H 1 71 VAL MG2 . . 4.040 3.648 3.515 3.904 . 0 0 "[ . 1 . 2]" 1
949 1 71 VAL HA 1 71 VAL MG2 . . 3.320 2.239 2.103 2.337 . 0 0 "[ . 1 . 2]" 1
950 1 53 TYR HB3 1 71 VAL MG2 . . 4.120 3.694 3.313 3.916 . 0 0 "[ . 1 . 2]" 1
951 1 53 TYR HB2 1 71 VAL MG2 . . 3.720 3.457 3.311 3.620 . 0 0 "[ . 1 . 2]" 1
952 1 80 VAL QG 1 81 LYS H . . 3.670 2.694 1.940 3.232 . 0 0 "[ . 1 . 2]" 1
953 1 80 VAL QG 1 91 PHE QE . . 3.770 1.931 1.729 2.382 . 0 0 "[ . 1 . 2]" 1
954 1 80 VAL QG 1 91 PHE HZ . . 3.990 2.156 1.870 2.663 . 0 0 "[ . 1 . 2]" 1
955 1 80 VAL HA 1 80 VAL QG . . 3.310 2.099 2.054 2.165 . 0 0 "[ . 1 . 2]" 1
956 1 40 TRP HD1 1 42 LYS HA . . 4.260 3.753 3.625 3.866 . 0 0 "[ . 1 . 2]" 1
957 1 42 LYS HA 1 43 PRO HD3 . . 3.900 2.005 1.999 2.018 . 0 0 "[ . 1 . 2]" 1
958 1 42 LYS HA 1 42 LYS HG2 . . 4.140 2.125 2.046 2.254 . 0 0 "[ . 1 . 2]" 1
959 1 108 THR H 1 108 THR MG . . 3.340 2.136 1.927 2.268 . 0 0 "[ . 1 . 2]" 1
960 1 91 PHE H 1 108 THR MG . . 3.990 3.324 3.000 3.844 . 0 0 "[ . 1 . 2]" 1
961 1 26 ALA H 1 108 THR MG . . 3.900 3.791 3.429 3.959 0.059 10 0 "[ . 1 . 2]" 1
962 1 108 THR MG 1 109 GLU H . . 3.880 3.855 3.618 3.961 0.081 8 0 "[ . 1 . 2]" 1
963 1 91 PHE QD 1 108 THR MG . . 3.950 3.858 3.477 4.041 0.091 13 0 "[ . 1 . 2]" 1
964 1 24 PRO HA 1 108 THR MG . . 4.260 3.397 2.976 3.712 . 0 0 "[ . 1 . 2]" 1
965 1 108 THR HA 1 108 THR MG . . 3.230 2.368 2.256 2.479 . 0 0 "[ . 1 . 2]" 1
966 1 91 PHE HB2 1 108 THR MG . . 3.680 2.425 2.086 2.698 . 0 0 "[ . 1 . 2]" 1
967 1 24 PRO HG2 1 108 THR MG . . 3.790 3.573 3.198 3.807 0.017 1 0 "[ . 1 . 2]" 1
968 1 24 PRO HB2 1 108 THR MG . . 3.250 1.953 1.742 2.169 . 0 0 "[ . 1 . 2]" 1
969 1 67 LEU H 1 67 LEU QD . . 3.980 3.536 2.710 3.682 . 0 0 "[ . 1 . 2]" 1
970 1 66 VAL HA 1 66 VAL QG . . 3.190 2.145 2.061 2.463 . 0 0 "[ . 1 . 2]" 1
971 1 56 GLU H 1 93 LEU HA . . 4.040 2.987 2.753 3.145 . 0 0 "[ . 1 . 2]" 1
972 1 93 LEU HA 1 94 CYS H . . 3.130 2.417 2.330 2.529 . 0 0 "[ . 1 . 2]" 1
973 1 55 LEU HA 1 93 LEU HA . . 3.690 2.160 2.015 2.708 . 0 0 "[ . 1 . 2]" 1
974 1 55 LEU QD 1 93 LEU HA . . 4.190 3.332 3.016 3.870 . 0 0 "[ . 1 . 2]" 1
975 1 32 GLU HA 1 33 ARG H . . 3.230 2.276 2.202 2.540 . 0 0 "[ . 1 . 2]" 1
976 1 26 ALA MB 1 27 THR H . . 3.550 3.425 3.230 3.522 . 0 0 "[ . 1 . 2]" 1
977 1 26 ALA H 1 26 ALA MB . . 3.210 2.555 2.394 2.669 . 0 0 "[ . 1 . 2]" 1
978 1 26 ALA MB 1 91 PHE QD . . 3.560 2.108 1.911 2.636 . 0 0 "[ . 1 . 2]" 1
979 1 26 ALA MB 1 91 PHE QE . . 3.830 3.394 2.915 3.765 . 0 0 "[ . 1 . 2]" 1
980 1 26 ALA MB 1 108 THR HG1 . . 3.820 2.583 1.874 3.280 . 0 0 "[ . 1 . 2]" 1
981 1 26 ALA MB 1 38 LEU HA . . 4.080 3.321 3.111 3.785 . 0 0 "[ . 1 . 2]" 1
982 1 26 ALA MB 1 108 THR HB . . 3.580 2.046 1.772 2.402 . 0 0 "[ . 1 . 2]" 1
983 1 26 ALA MB 1 111 VAL HB . . 4.160 3.647 2.906 4.109 . 0 0 "[ . 1 . 2]" 1
984 1 26 ALA MB 1 36 ILE MG . . 2.950 2.644 2.282 2.911 . 0 0 "[ . 1 . 2]" 1
985 1 25 VAL HA 1 26 ALA MB . . 4.000 3.868 3.795 3.937 . 0 0 "[ . 1 . 2]" 1
986 1 58 SER HG 1 61 ASN HA . . 4.170 4.125 3.764 4.279 0.109 17 0 "[ . 1 . 2]" 1
987 1 42 LYS H 1 76 THR MG . . 3.900 2.953 2.755 3.225 . 0 0 "[ . 1 . 2]" 1
988 1 76 THR H 1 76 THR MG . . 4.050 3.057 2.740 3.190 . 0 0 "[ . 1 . 2]" 1
989 1 41 THR HA 1 76 THR MG . . 3.970 3.258 2.953 3.798 . 0 0 "[ . 1 . 2]" 1
990 1 76 THR HA 1 76 THR MG . . 3.070 2.222 2.147 2.436 . 0 0 "[ . 1 . 2]" 1
991 1 42 LYS HB2 1 76 THR MG . . 3.880 2.355 1.987 2.632 . 0 0 "[ . 1 . 2]" 1
992 1 42 LYS HG3 1 76 THR MG . . 3.770 3.163 2.888 3.399 . 0 0 "[ . 1 . 2]" 1
993 1 42 LYS HG2 1 76 THR MG . . 4.260 3.223 2.730 3.715 . 0 0 "[ . 1 . 2]" 1
994 1 27 THR MG 1 28 LEU H . . 3.380 3.430 3.324 3.482 0.102 11 0 "[ . 1 . 2]" 1
995 1 27 THR HA 1 27 THR MG . . 3.130 2.228 2.154 2.288 . 0 0 "[ . 1 . 2]" 1
996 1 57 MET HA 1 58 SER H . . 3.340 2.308 2.261 2.343 . 0 0 "[ . 1 . 2]" 1
997 1 57 MET HA 1 64 TRP HZ3 . . 3.860 3.326 2.523 3.851 . 0 0 "[ . 1 . 2]" 1
998 1 83 LEU HA 1 84 VAL H . . 3.510 2.495 2.370 2.684 . 0 0 "[ . 1 . 2]" 1
999 1 83 LEU HA 1 83 LEU HG . . 3.810 2.984 2.645 3.308 . 0 0 "[ . 1 . 2]" 1
1000 1 83 LEU HA 1 83 LEU QD . . 2.840 1.982 1.888 2.124 . 0 0 "[ . 1 . 2]" 1
1001 1 79 THR MG 1 80 VAL H . . 3.460 2.855 2.293 3.333 . 0 0 "[ . 1 . 2]" 1
1002 1 36 ILE H 1 79 THR MG . . 4.230 3.193 2.701 3.669 . 0 0 "[ . 1 . 2]" 1
1003 1 79 THR HA 1 79 THR MG . . 3.200 2.399 2.228 2.525 . 0 0 "[ . 1 . 2]" 1
1004 1 79 THR MG 1 81 LYS HD3 . . 4.060 3.705 2.762 4.485 0.425 2 0 "[ . 1 . 2]" 1
1005 1 28 LEU H 1 111 VAL QG . . 4.000 3.198 2.514 3.736 . 0 0 "[ . 1 . 2]" 1
1006 1 111 VAL H 1 111 VAL QG . . 3.560 2.281 2.070 2.708 . 0 0 "[ . 1 . 2]" 1
1007 1 27 THR HA 1 111 VAL QG . . 3.820 2.802 1.848 3.336 . 0 0 "[ . 1 . 2]" 1
1008 1 111 VAL HA 1 111 VAL QG . . 3.240 2.074 2.027 2.188 . 0 0 "[ . 1 . 2]" 1
1009 1 16 GLN H 1 99 VAL QG . . 4.090 3.152 2.905 3.478 . 0 0 "[ . 1 . 2]" 1
1010 1 99 VAL H 1 99 VAL QG . . 2.980 1.853 1.769 1.983 . 0 0 "[ . 1 . 2]" 1
1011 1 97 ASN HD22 1 99 VAL QG . . 3.990 2.133 1.892 2.389 . 0 0 "[ . 1 . 2]" 1
1012 1 15 ARG HA 1 99 VAL QG . . 4.300 2.627 1.959 3.278 . 0 0 "[ . 1 . 2]" 1
1013 1 48 SER HB3 1 99 VAL QG . . 4.090 2.691 2.011 3.333 . 0 0 "[ . 1 . 2]" 1
1014 1 99 VAL HA 1 99 VAL QG . . 3.090 2.246 2.045 2.413 . 0 0 "[ . 1 . 2]" 1
1015 1 97 ASN HB2 1 99 VAL QG . . 4.110 3.119 2.676 3.704 . 0 0 "[ . 1 . 2]" 1
1016 1 99 VAL QG 1 100 GLY H . . 3.630 2.418 1.797 3.321 . 0 0 "[ . 1 . 2]" 1
1017 1 48 SER HB2 1 99 VAL QG . . 4.290 2.261 1.838 2.992 . 0 0 "[ . 1 . 2]" 1
1018 1 57 MET HA 1 57 MET HG3 . . 4.090 2.873 2.537 3.780 . 0 0 "[ . 1 . 2]" 1
1019 1 17 LEU QD 1 102 GLY H . . 4.220 3.908 3.544 4.104 . 0 0 "[ . 1 . 2]" 1
1020 1 17 LEU QD 1 101 LYS H . . 3.560 2.870 2.233 3.431 . 0 0 "[ . 1 . 2]" 1
1021 1 17 LEU HA 1 17 LEU QD . . 2.980 1.951 1.883 2.109 . 0 0 "[ . 1 . 2]" 1
1022 1 17 LEU QD 1 102 GLY HA3 . . 4.330 3.812 3.419 3.949 . 0 0 "[ . 1 . 2]" 1
1023 1 17 LEU QD 1 18 PRO HD2 . . 3.700 2.376 1.959 3.411 . 0 0 "[ . 1 . 2]" 1
1024 1 60 ASN HA 1 61 ASN H . . 3.530 2.690 2.254 3.583 0.053 6 0 "[ . 1 . 2]" 1
1025 1 84 VAL MG2 1 89 TYR HH . . 4.020 2.679 2.270 3.200 . 0 0 "[ . 1 . 2]" 1
1026 1 84 VAL H 1 84 VAL MG2 . . 3.200 2.691 2.317 3.001 . 0 0 "[ . 1 . 2]" 1
1027 1 84 VAL MG2 1 89 TYR QE . . 4.290 3.938 3.590 4.313 0.023 10 0 "[ . 1 . 2]" 1
1028 1 84 VAL HA 1 84 VAL MG2 . . 3.240 2.297 2.162 2.418 . 0 0 "[ . 1 . 2]" 1
1029 1 83 LEU HA 1 84 VAL MG2 . . 3.690 3.504 3.288 3.695 0.005 1 0 "[ . 1 . 2]" 1
1030 1 84 VAL MG2 1 85 PRO HD3 . . 4.070 3.635 3.503 3.744 . 0 0 "[ . 1 . 2]" 1
1031 1 84 VAL MG2 1 85 PRO HD2 . . 4.160 3.435 3.225 3.582 . 0 0 "[ . 1 . 2]" 1
1032 1 84 VAL MG2 1 87 ARG HD2 . . 4.130 3.157 2.757 3.426 . 0 0 "[ . 1 . 2]" 1
1033 1 17 LEU H 1 99 VAL QG . . 3.870 3.486 2.524 3.804 . 0 0 "[ . 1 . 2]" 1
1034 1 17 LEU HA 1 99 VAL QG . . 3.850 2.342 1.964 3.036 . 0 0 "[ . 1 . 2]" 1
1035 1 96 VAL MG2 1 102 GLY H . . 3.690 3.383 2.753 3.737 0.047 14 0 "[ . 1 . 2]" 1
1036 1 96 VAL H 1 96 VAL MG2 . . 3.560 2.706 2.484 3.055 . 0 0 "[ . 1 . 2]" 1
1037 1 96 VAL HA 1 96 VAL MG2 . . 3.400 2.451 2.345 2.540 . 0 0 "[ . 1 . 2]" 1
1038 1 96 VAL MG2 1 101 LYS HA . . 3.490 2.684 1.971 3.016 . 0 0 "[ . 1 . 2]" 1
1039 1 96 VAL MG2 1 101 LYS HG2 . . 3.660 3.186 1.880 3.514 . 0 0 "[ . 1 . 2]" 1
1040 1 54 ILE HG13 1 96 VAL MG2 . . 3.360 2.168 1.964 3.176 . 0 0 "[ . 1 . 2]" 1
1041 1 52 ARG HG2 1 96 VAL MG2 . . 3.810 3.791 3.379 4.248 0.438 8 0 "[ . 1 . 2]" 1
1042 1 54 ILE HG12 1 96 VAL MG2 . . 3.630 3.524 1.970 3.685 0.055 16 0 "[ . 1 . 2]" 1
1043 1 41 THR H 1 41 THR MG . . 3.930 3.653 3.409 3.760 . 0 0 "[ . 1 . 2]" 1
1044 1 41 THR MG 1 42 LYS H . . 3.520 2.072 1.956 2.185 . 0 0 "[ . 1 . 2]" 1
1045 1 41 THR HA 1 41 THR MG . . 3.260 2.544 2.355 2.761 . 0 0 "[ . 1 . 2]" 1
1046 1 40 TRP HH2 1 78 VAL MG2 . . 3.640 3.602 3.535 3.666 0.026 13 0 "[ . 1 . 2]" 1
1047 1 25 VAL H 1 25 VAL QG . . 3.620 2.093 1.831 2.350 . 0 0 "[ . 1 . 2]" 1
1048 1 25 VAL QG 1 26 ALA HA . . 4.300 3.728 3.187 4.094 . 0 0 "[ . 1 . 2]" 1
1049 1 24 PRO HA 1 25 VAL QG . . 4.100 3.612 3.251 3.834 . 0 0 "[ . 1 . 2]" 1
1050 1 25 VAL HA 1 25 VAL QG . . 3.200 2.207 1.990 2.585 . 0 0 "[ . 1 . 2]" 1
1051 1 55 LEU HA 1 56 GLU H . . 3.290 2.181 2.176 2.196 . 0 0 "[ . 1 . 2]" 1
1052 1 68 LEU HA 1 68 LEU HG . . 4.000 2.459 2.333 2.592 . 0 0 "[ . 1 . 2]" 1
1053 1 18 PRO HB3 1 45 ASP HA . . 3.930 2.433 2.035 2.852 . 0 0 "[ . 1 . 2]" 1
1054 1 39 THR H 1 39 THR MG . . 3.720 2.762 2.195 3.009 . 0 0 "[ . 1 . 2]" 1
1055 1 39 THR HA 1 39 THR MG . . 3.180 2.529 2.339 2.825 . 0 0 "[ . 1 . 2]" 1
1056 1 39 THR MG 1 77 SER HB3 . . 3.460 2.409 2.078 3.338 . 0 0 "[ . 1 . 2]" 1
1057 1 39 THR MG 1 77 SER HB2 . . 3.340 2.642 2.103 2.845 . 0 0 "[ . 1 . 2]" 1
1058 1 78 VAL MG2 1 79 THR H . . 3.060 2.012 1.922 2.125 . 0 0 "[ . 1 . 2]" 1
1059 1 78 VAL HA 1 78 VAL MG2 . . 3.130 2.142 2.090 2.259 . 0 0 "[ . 1 . 2]" 1
1060 1 27 THR H 1 38 LEU HA . . 4.030 3.499 3.077 3.943 . 0 0 "[ . 1 . 2]" 1
1061 1 38 LEU HA 1 39 THR H . . 3.010 2.226 2.180 2.294 . 0 0 "[ . 1 . 2]" 1
1062 1 26 ALA HA 1 38 LEU HA . . 3.420 2.395 2.132 2.629 . 0 0 "[ . 1 . 2]" 1
1063 1 55 LEU HA 1 93 LEU HB3 . . 4.290 1.995 1.924 2.137 . 0 0 "[ . 1 . 2]" 1
1064 1 107 ASP HA 1 108 THR H . . 3.020 2.258 2.252 2.284 . 0 0 "[ . 1 . 2]" 1
1065 1 92 ARG HB3 1 107 ASP HA . . 3.990 2.813 2.534 2.927 . 0 0 "[ . 1 . 2]" 1
1066 1 17 LEU HA 1 97 ASN HD22 . . 4.440 2.974 2.529 3.292 . 0 0 "[ . 1 . 2]" 1
1067 1 17 LEU HA 1 18 PRO HD3 . . 3.490 1.934 1.913 1.956 . 0 0 "[ . 1 . 2]" 1
1068 1 17 LEU HA 1 99 VAL HB . . 4.270 3.606 2.654 4.306 0.036 13 0 "[ . 1 . 2]" 1
1069 1 31 VAL H 1 31 VAL QG . . 3.270 2.497 1.826 3.176 . 0 0 "[ . 1 . 2]" 1
1070 1 59 GLU HA 1 60 ASN H . . 3.320 2.680 2.227 3.101 . 0 0 "[ . 1 . 2]" 1
1071 1 59 GLU HA 1 89 TYR QD . . 4.090 3.051 2.665 4.141 0.051 13 0 "[ . 1 . 2]" 1
1072 1 59 GLU HA 1 59 GLU HG3 . . 3.950 2.623 2.060 3.025 . 0 0 "[ . 1 . 2]" 1
1073 1 59 GLU HA 1 59 GLU HG2 . . 4.240 2.634 2.239 3.395 . 0 0 "[ . 1 . 2]" 1
1074 1 14 VAL QG 1 15 ARG H . . 3.480 2.649 2.220 3.109 . 0 0 "[ . 1 . 2]" 1
1075 1 66 VAL QG 1 67 LEU H . . 3.570 3.178 3.010 3.282 . 0 0 "[ . 1 . 2]" 1
1076 1 66 VAL QG 1 68 LEU H . . 3.790 3.579 3.166 3.737 . 0 0 "[ . 1 . 2]" 1
1077 1 66 VAL QG 1 69 ALA HA . . 3.220 2.763 2.560 2.940 . 0 0 "[ . 1 . 2]" 1
1078 1 96 VAL MG1 1 97 ASN H . . 3.100 2.516 2.343 2.724 . 0 0 "[ . 1 . 2]" 1
1079 1 96 VAL H 1 96 VAL MG1 . . 4.130 3.837 3.728 3.927 . 0 0 "[ . 1 . 2]" 1
1080 1 96 VAL MG1 1 100 GLY H . . 4.260 4.119 3.903 4.264 0.004 17 0 "[ . 1 . 2]" 1
1081 1 96 VAL HA 1 96 VAL MG1 . . 3.260 2.306 2.216 2.446 . 0 0 "[ . 1 . 2]" 1
1082 1 96 VAL MG1 1 101 LYS HA . . 3.670 2.898 1.994 3.364 . 0 0 "[ . 1 . 2]" 1
1083 1 96 VAL MG1 1 100 GLY HA2 . . 4.060 3.587 3.363 3.772 . 0 0 "[ . 1 . 2]" 1
1084 1 113 LEU HA 1 114 PRO HD3 . . 3.330 1.975 1.910 2.025 . 0 0 "[ . 1 . 2]" 1
1085 1 113 LEU HA 1 114 PRO HG2 . . 4.360 4.598 4.460 4.682 0.322 7 0 "[ . 1 . 2]" 1
1086 1 113 LEU HA 1 113 LEU HG . . 3.870 2.447 2.078 3.552 . 0 0 "[ . 1 . 2]" 1
1087 1 54 ILE HA 1 69 ALA HA . . 3.840 2.903 2.635 3.139 . 0 0 "[ . 1 . 2]" 1
1088 1 54 ILE HG12 1 69 ALA HA . . 3.860 3.017 2.501 4.755 0.895 7 1 "[ . + 1 . 2]" 1
1089 1 54 ILE MG 1 69 ALA HA . . 3.370 2.793 2.280 3.250 . 0 0 "[ . 1 . 2]" 1
1090 1 14 VAL H 1 14 VAL QG . . 3.290 2.193 1.858 2.406 . 0 0 "[ . 1 . 2]" 1
1091 1 78 VAL H 1 78 VAL MG1 . . 3.520 2.470 2.230 2.662 . 0 0 "[ . 1 . 2]" 1
1092 1 40 TRP HZ3 1 78 VAL MG1 . . 3.280 2.072 1.957 2.335 . 0 0 "[ . 1 . 2]" 1
1093 1 40 TRP HH2 1 78 VAL MG1 . . 3.180 2.789 2.571 3.061 . 0 0 "[ . 1 . 2]" 1
1094 1 75 ALA HA 1 76 THR H . . 3.030 2.232 2.195 2.278 . 0 0 "[ . 1 . 2]" 1
1095 1 75 ALA HA 1 77 SER H . . 3.620 3.528 3.432 3.625 0.005 16 0 "[ . 1 . 2]" 1
1096 1 84 VAL H 1 84 VAL MG1 . . 4.060 3.699 3.607 3.778 . 0 0 "[ . 1 . 2]" 1
1097 1 84 VAL HA 1 84 VAL MG1 . . 3.450 2.531 2.479 2.573 . 0 0 "[ . 1 . 2]" 1
1098 1 84 VAL MG1 1 85 PRO HD3 . . 3.800 3.013 2.877 3.210 . 0 0 "[ . 1 . 2]" 1
1099 1 84 VAL MG1 1 85 PRO HD2 . . 3.520 1.875 1.773 1.989 . 0 0 "[ . 1 . 2]" 1
1100 1 84 VAL MG1 1 87 ARG HG3 . . 3.690 2.363 1.966 2.679 . 0 0 "[ . 1 . 2]" 1
1101 1 84 VAL MG1 1 87 ARG HG2 . . 3.940 3.686 3.327 3.965 0.025 5 0 "[ . 1 . 2]" 1
1102 1 65 THR H 1 65 THR MG . . 3.450 2.415 2.077 2.524 . 0 0 "[ . 1 . 2]" 1
1103 1 65 THR HA 1 65 THR MG . . 3.100 3.180 3.162 3.241 0.141 12 0 "[ . 1 . 2]" 1
1104 1 57 MET HG2 1 65 THR MG . . 4.080 3.928 3.235 4.293 0.213 19 0 "[ . 1 . 2]" 1
1105 1 71 VAL MG1 1 72 ASP H . . 3.510 2.095 1.917 2.276 . 0 0 "[ . 1 . 2]" 1
1106 1 53 TYR QD 1 71 VAL MG1 . . 3.410 3.334 2.974 3.455 0.045 14 0 "[ . 1 . 2]" 1
1107 1 40 TRP HZ2 1 71 VAL MG1 . . 3.150 3.087 2.900 3.182 0.032 18 0 "[ . 1 . 2]" 1
1108 1 71 VAL HA 1 71 VAL MG1 . . 3.350 2.533 2.404 2.643 . 0 0 "[ . 1 . 2]" 1
1109 1 71 VAL MG1 1 72 ASP HB2 . . 4.090 3.378 3.291 3.471 . 0 0 "[ . 1 . 2]" 1
1110 1 53 TYR HB3 1 71 VAL MG1 . . 4.240 2.979 2.556 3.309 . 0 0 "[ . 1 . 2]" 1
1111 1 53 TYR HB2 1 71 VAL MG1 . . 3.560 2.046 1.888 2.240 . 0 0 "[ . 1 . 2]" 1
1112 1 83 LEU QD 1 84 VAL H . . 3.710 3.336 3.072 3.613 . 0 0 "[ . 1 . 2]" 1
1113 1 83 LEU H 1 83 LEU QD . . 3.850 3.075 2.488 3.595 . 0 0 "[ . 1 . 2]" 1
1114 1 83 LEU QD 1 89 TYR QE . . 3.500 2.721 2.327 3.128 . 0 0 "[ . 1 . 2]" 1
1115 1 74 LYS H 1 75 ALA MB . . 3.950 3.806 3.596 3.977 0.027 12 0 "[ . 1 . 2]" 1
1116 1 75 ALA MB 1 76 THR H . . 3.430 3.092 2.897 3.258 . 0 0 "[ . 1 . 2]" 1
1117 1 75 ALA H 1 75 ALA MB . . 2.830 2.215 2.023 2.404 . 0 0 "[ . 1 . 2]" 1
1118 1 75 ALA MB 1 77 SER H . . 3.180 2.901 2.708 3.127 . 0 0 "[ . 1 . 2]" 1
1119 1 40 TRP HZ2 1 75 ALA MB . . 3.300 3.305 3.195 3.354 0.054 9 0 "[ . 1 . 2]" 1
1120 1 72 ASP HB3 1 75 ALA MB . . 3.210 1.981 1.882 2.158 . 0 0 "[ . 1 . 2]" 1
1121 1 75 ALA MB 1 76 THR MG . . 4.550 4.445 4.183 4.572 0.022 3 0 "[ . 1 . 2]" 1
1122 1 37 ASN HA 1 79 THR MG . . 4.210 3.270 2.916 3.609 . 0 0 "[ . 1 . 2]" 1
1123 1 72 ASP HA 1 73 PRO HD2 . . 3.320 2.499 2.411 2.568 . 0 0 "[ . 1 . 2]" 1
1124 1 80 VAL H 1 80 VAL QG . . 3.400 2.474 2.176 2.686 . 0 0 "[ . 1 . 2]" 1
1125 1 36 ILE H 1 80 VAL QG . . 4.160 3.610 3.269 3.811 . 0 0 "[ . 1 . 2]" 1
1126 1 37 ASN HA 1 38 LEU H . . 3.020 2.267 2.252 2.295 . 0 0 "[ . 1 . 2]" 1
1127 1 31 VAL QG 1 32 GLU H . . 3.740 1.986 1.787 2.265 . 0 0 "[ . 1 . 2]" 1
1128 1 31 VAL QG 1 32 GLU QG . . 3.620 3.127 2.575 3.484 . 0 0 "[ . 1 . 2]" 1
1129 1 84 VAL HA 1 85 PRO HD3 . . 3.320 1.921 1.914 1.934 . 0 0 "[ . 1 . 2]" 1
1130 1 84 VAL HA 1 85 PRO HD2 . . 3.350 2.486 2.386 2.561 . 0 0 "[ . 1 . 2]" 1
1131 1 69 ALA H 1 69 ALA MB . . 3.320 2.063 1.999 2.182 . 0 0 "[ . 1 . 2]" 1
1132 1 69 ALA MB 1 70 SER H . . 3.920 2.613 2.056 3.008 . 0 0 "[ . 1 . 2]" 1
1133 1 68 LEU HA 1 69 ALA MB . . 4.000 3.907 3.884 3.946 . 0 0 "[ . 1 . 2]" 1
1134 1 62 ALA HA 1 63 PRO HD2 . . 3.140 2.629 2.596 2.661 . 0 0 "[ . 1 . 2]" 1
1135 1 42 LYS HA 1 43 PRO HD2 . . 3.670 2.224 2.216 2.228 . 0 0 "[ . 1 . 2]" 1
1136 1 42 LYS HG2 1 43 PRO HD2 . . 4.130 2.539 2.333 2.863 . 0 0 "[ . 1 . 2]" 1
1137 1 113 LEU HA 1 114 PRO HD2 . . 3.240 2.658 2.460 2.773 . 0 0 "[ . 1 . 2]" 1
1138 1 113 LEU HB3 1 114 PRO HD2 . . 3.960 3.016 2.778 3.481 . 0 0 "[ . 1 . 2]" 1
1139 1 113 LEU HG 1 114 PRO HD2 . . 3.910 2.554 1.989 4.004 0.094 11 0 "[ . 1 . 2]" 1
1140 1 48 SER HA 1 49 PRO HD2 . . 3.190 2.760 2.565 2.871 . 0 0 "[ . 1 . 2]" 1
1141 1 48 SER HA 1 49 PRO HD3 . . 3.140 2.041 1.955 2.104 . 0 0 "[ . 1 . 2]" 1
1142 1 20 ALA MB 1 105 SER H . . 4.060 3.328 2.813 3.808 . 0 0 "[ . 1 . 2]" 1
1143 1 20 ALA H 1 20 ALA MB . . 2.890 2.010 1.945 2.098 . 0 0 "[ . 1 . 2]" 1
1144 1 20 ALA MB 1 21 PRO HD3 . . 3.830 2.819 2.665 2.898 . 0 0 "[ . 1 . 2]" 1
1145 1 20 ALA MB 1 105 SER HA . . 2.920 2.460 2.337 2.611 . 0 0 "[ . 1 . 2]" 1
1146 1 20 ALA MB 1 105 SER HB3 . . 4.090 3.079 2.908 3.246 . 0 0 "[ . 1 . 2]" 1
1147 1 20 ALA MB 1 21 PRO HD2 . . 3.910 2.057 1.945 2.204 . 0 0 "[ . 1 . 2]" 1
1148 1 19 HIS QB 1 20 ALA MB . . 4.120 4.003 3.867 4.141 0.021 10 0 "[ . 1 . 2]" 1
1149 1 20 ALA MB 1 103 GLN HB2 . . 3.750 3.138 2.154 3.682 . 0 0 "[ . 1 . 2]" 1
1150 1 72 ASP HA 1 73 PRO HD3 . . 3.530 1.973 1.969 1.980 . 0 0 "[ . 1 . 2]" 1
1151 1 35 ALA HA 1 36 ILE H . . 3.050 2.316 2.201 2.532 . 0 0 "[ . 1 . 2]" 1
1152 1 35 ALA HA 1 81 LYS HG2 . . 4.220 3.687 2.940 4.237 0.017 2 0 "[ . 1 . 2]" 1
1153 1 62 ALA HA 1 63 PRO HD3 . . 3.440 1.959 1.947 1.972 . 0 0 "[ . 1 . 2]" 1
1154 1 35 ALA HA 1 81 LYS HA . . 3.670 2.468 2.227 2.752 . 0 0 "[ . 1 . 2]" 1
1155 1 20 ALA HA 1 21 PRO HD3 . . 3.810 2.087 2.066 2.104 . 0 0 "[ . 1 . 2]" 1
1156 1 20 ALA HA 1 21 PRO HD2 . . 3.860 2.862 2.831 2.888 . 0 0 "[ . 1 . 2]" 1
1157 1 23 HIS H 1 24 PRO HD2 . . 3.830 3.132 2.939 3.269 . 0 0 "[ . 1 . 2]" 1
1158 1 23 HIS H 1 24 PRO HD3 . . 4.110 2.274 2.121 2.385 . 0 0 "[ . 1 . 2]" 1
1159 1 23 HIS HA 1 24 PRO HD3 . . 3.730 2.864 2.820 2.920 . 0 0 "[ . 1 . 2]" 1
1160 1 36 ILE MG 1 37 ASN H . . 3.370 2.242 1.987 2.814 . 0 0 "[ . 1 . 2]" 1
1161 1 27 THR H 1 36 ILE MG . . 3.540 3.031 2.757 3.237 . 0 0 "[ . 1 . 2]" 1
1162 1 36 ILE H 1 36 ILE MG . . 4.070 3.780 3.637 3.885 . 0 0 "[ . 1 . 2]" 1
1163 1 26 ALA HA 1 36 ILE MG . . 3.870 3.481 3.212 3.888 0.018 11 0 "[ . 1 . 2]" 1
1164 1 36 ILE HA 1 36 ILE MG . . 3.400 2.462 2.308 2.555 . 0 0 "[ . 1 . 2]" 1
1165 1 36 ILE MG 1 38 LEU QD . . 3.440 2.947 2.420 3.368 . 0 0 "[ . 1 . 2]" 1
1166 1 26 ALA HA 1 27 THR H . . 2.990 2.199 2.187 2.212 . 0 0 "[ . 1 . 2]" 1
1167 1 26 ALA HA 1 39 THR H . . 4.290 3.322 3.018 3.874 . 0 0 "[ . 1 . 2]" 1
1168 1 57 MET ME 1 89 TYR QD . . 3.010 2.891 2.305 3.037 0.027 7 0 "[ . 1 . 2]" 1
1169 1 57 MET ME 1 65 THR MG . . 3.080 2.423 1.906 2.607 . 0 0 "[ . 1 . 2]" 1
1170 1 57 MET ME 1 83 LEU QD . . 3.200 2.944 2.731 3.181 . 0 0 "[ . 1 . 2]" 1
1171 1 86 ALA H 1 86 ALA MB . . 3.480 2.887 2.793 2.956 . 0 0 "[ . 1 . 2]" 1
1172 1 86 ALA MB 1 87 ARG H . . 3.870 3.781 3.765 3.792 . 0 0 "[ . 1 . 2]" 1
1173 1 86 ALA MB 1 115 GLU HA . . 3.690 2.211 1.870 2.761 . 0 0 "[ . 1 . 2]" 1
1174 1 54 ILE MG 1 55 LEU H . . 3.450 3.239 2.751 3.356 . 0 0 "[ . 1 . 2]" 1
1175 1 54 ILE H 1 54 ILE MG . . 4.200 3.771 3.713 3.851 . 0 0 "[ . 1 . 2]" 1
1176 1 54 ILE HA 1 54 ILE MG . . 3.370 2.416 2.257 2.508 . 0 0 "[ . 1 . 2]" 1
1177 1 54 ILE HG13 1 54 ILE MG . . 3.460 3.186 2.301 3.241 . 0 0 "[ . 1 . 2]" 1
1178 1 54 ILE MG 1 66 VAL QG . . 3.070 1.941 1.715 2.064 . 0 0 "[ . 1 . 2]" 1
1179 1 54 ILE MD 1 54 ILE MG . . 2.840 2.075 1.863 2.260 . 0 0 "[ . 1 . 2]" 1
1180 1 117 GLY HA2 1 118 PRO HD3 . . 3.100 2.233 1.927 2.968 . 0 0 "[ . 1 . 2]" 1
1181 1 117 GLY HA3 1 118 PRO HD2 . . 3.190 2.623 2.197 3.114 . 0 0 "[ . 1 . 2]" 1
1182 1 59 GLU H 1 62 ALA MB . . 3.770 1.903 1.728 2.178 . 0 0 "[ . 1 . 2]" 1
1183 1 62 ALA H 1 62 ALA MB . . 2.930 2.057 1.968 2.222 . 0 0 "[ . 1 . 2]" 1
1184 1 58 SER HG 1 62 ALA MB . . 4.180 3.415 3.114 3.877 . 0 0 "[ . 1 . 2]" 1
1185 1 62 ALA MB 1 63 PRO HD2 . . 3.290 2.483 2.233 2.600 . 0 0 "[ . 1 . 2]" 1
1186 1 62 ALA MB 1 63 PRO HD3 . . 3.050 3.154 3.053 3.196 0.146 15 0 "[ . 1 . 2]" 1
1187 1 51 ILE H 1 51 ILE MG . . 4.150 3.604 3.461 3.682 . 0 0 "[ . 1 . 2]" 1
1188 1 51 ILE MG 1 52 ARG H . . 4.150 2.830 2.592 3.155 . 0 0 "[ . 1 . 2]" 1
1189 1 51 ILE HA 1 51 ILE MG . . 3.350 2.576 2.505 2.699 . 0 0 "[ . 1 . 2]" 1
1190 1 51 ILE MG 1 52 ARG HB2 . . 3.960 4.003 3.863 4.104 0.144 8 0 "[ . 1 . 2]" 1
1191 1 51 ILE MG 1 52 ARG HB3 . . 4.060 2.594 2.441 2.799 . 0 0 "[ . 1 . 2]" 1
1192 1 18 PRO HD3 1 97 ASN HD22 . . 4.400 2.008 1.882 2.363 . 0 0 "[ . 1 . 2]" 1
1193 1 17 LEU HB3 1 18 PRO HD2 . . 4.260 2.538 2.257 2.875 . 0 0 "[ . 1 . 2]" 1
1194 1 18 PRO HD2 1 102 GLY H . . 4.320 3.287 2.617 3.747 . 0 0 "[ . 1 . 2]" 1
1195 1 17 LEU HA 1 18 PRO HD2 . . 3.510 2.566 2.477 2.635 . 0 0 "[ . 1 . 2]" 1
1196 1 51 ILE MG 1 52 ARG HG2 . . 3.640 2.424 1.977 3.060 . 0 0 "[ . 1 . 2]" 1
1197 1 51 ILE MG 1 96 VAL HB . . 4.180 4.080 3.854 4.218 0.038 4 0 "[ . 1 . 2]" 1
1198 1 59 GLU HB2 1 62 ALA MB . . 3.810 2.810 2.357 4.767 0.957 13 1 "[ . 1 + . 2]" 1
1199 1 86 ALA MB 1 115 GLU HG3 . . 3.610 2.155 1.767 4.255 0.645 3 1 "[ + . 1 . 2]" 1
1200 1 86 ALA MB 1 115 GLU HB3 . . 3.800 3.676 1.877 3.872 0.072 4 0 "[ . 1 . 2]" 1
1201 1 66 VAL QG 1 69 ALA MB . . 3.020 2.449 2.337 2.643 . 0 0 "[ . 1 . 2]" 1
1202 1 25 VAL QG 1 27 THR MG . . 3.000 2.715 2.277 3.037 0.037 18 0 "[ . 1 . 2]" 1
1203 1 17 LEU HG 1 99 VAL QG . . 3.450 3.015 2.007 3.836 0.386 13 0 "[ . 1 . 2]" 1
1204 1 26 ALA MB 1 111 VAL QG . . 2.820 1.931 1.762 2.703 . 0 0 "[ . 1 . 2]" 1
1205 1 36 ILE MG 1 111 VAL QG . . 3.020 2.066 1.901 2.321 . 0 0 "[ . 1 . 2]" 1
1206 1 68 LEU HB3 1 71 VAL MG2 . . 3.400 1.868 1.820 1.963 . 0 0 "[ . 1 . 2]" 1
1207 1 68 LEU HB2 1 71 VAL MG2 . . 3.260 3.120 3.041 3.229 . 0 0 "[ . 1 . 2]" 1
1208 1 28 LEU HG 1 111 VAL QG . . 3.550 2.846 2.175 3.656 0.106 6 0 "[ . 1 . 2]" 1
1209 1 33 ARG HB3 1 34 ARG H . . 4.520 3.075 1.944 3.415 . 0 0 "[ . 1 . 2]" 1
1210 1 18 PRO HG2 1 97 ASN HD21 . . 4.840 4.856 4.781 4.936 0.096 10 0 "[ . 1 . 2]" 1
1211 1 18 PRO HG2 1 96 VAL HA . . 4.720 3.380 2.941 3.837 . 0 0 "[ . 1 . 2]" 1
1212 1 15 ARG HA 1 47 ASN HD21 . . 4.860 3.789 3.285 4.087 . 0 0 "[ . 1 . 2]" 1
1213 1 11 HIS HD2 1 12 LEU QD . . 5.070 3.663 2.091 4.890 . 0 0 "[ . 1 . 2]" 1
1214 1 13 ARG HA 1 47 ASN HD21 . . 4.440 3.643 2.698 4.426 . 0 0 "[ . 1 . 2]" 1
1215 1 13 ARG HB3 1 14 VAL H . . 4.920 3.259 2.627 3.999 . 0 0 "[ . 1 . 2]" 1
1216 1 33 ARG QD 1 34 ARG H . . 4.780 3.278 2.630 4.970 0.190 7 0 "[ . 1 . 2]" 1
1217 1 18 PRO HA 1 46 GLY HA2 . . 4.500 4.251 3.970 4.611 0.111 1 0 "[ . 1 . 2]" 1
1218 1 18 PRO HA 1 50 LEU QD . . 4.660 4.159 3.537 4.592 . 0 0 "[ . 1 . 2]" 1
1219 1 14 VAL HB 1 16 GLN HE21 . . 4.960 4.854 3.314 5.480 0.520 2 1 "[ + . 1 . 2]" 1
1220 1 53 TYR QD 1 71 VAL HB . . 4.490 4.078 3.820 4.323 . 0 0 "[ . 1 . 2]" 1
1221 1 53 TYR HB2 1 71 VAL HB . . 3.780 2.152 1.968 2.514 . 0 0 "[ . 1 . 2]" 1
1222 1 15 ARG HG2 1 16 GLN H . . 4.990 4.483 4.086 4.933 . 0 0 "[ . 1 . 2]" 1
1223 1 60 ASN HD22 1 87 ARG HG3 . . 4.540 4.390 3.798 4.564 0.024 20 0 "[ . 1 . 2]" 1
1224 1 67 LEU HG 1 68 LEU H . . 4.800 4.541 3.902 4.927 0.127 7 0 "[ . 1 . 2]" 1
1225 1 55 LEU HG 1 91 PHE QD . . 4.920 3.855 2.577 4.835 . 0 0 "[ . 1 . 2]" 1
1226 1 87 ARG HG2 1 88 SER H . . 4.610 3.714 3.554 4.049 . 0 0 "[ . 1 . 2]" 1
1227 1 60 ASN HD22 1 87 ARG HG2 . . 4.340 2.793 2.109 3.180 . 0 0 "[ . 1 . 2]" 1
1228 1 16 GLN HB2 1 17 LEU H . . 4.350 3.470 2.163 4.299 . 0 0 "[ . 1 . 2]" 1
1229 1 16 GLN HB2 1 16 GLN HE21 . . 4.420 2.954 1.892 3.606 . 0 0 "[ . 1 . 2]" 1
1230 1 16 GLN HB3 1 16 GLN HE21 . . 4.770 3.153 1.933 4.322 . 0 0 "[ . 1 . 2]" 1
1231 1 16 GLN HB3 1 46 GLY HA2 . . 4.440 3.329 2.243 4.857 0.417 19 0 "[ . 1 . 2]" 1
1232 1 14 VAL QG 1 16 GLN HB2 . . 4.380 3.112 1.924 4.469 0.089 19 0 "[ . 1 . 2]" 1
1233 1 16 GLN HG2 1 46 GLY HA2 . . 4.610 3.280 1.945 4.631 0.021 14 0 "[ . 1 . 2]" 1
1234 1 16 GLN HG2 1 46 GLY HA3 . . 4.780 3.369 1.873 4.629 . 0 0 "[ . 1 . 2]" 1
1235 1 14 VAL QG 1 16 GLN HB3 . . 4.470 3.362 2.296 4.321 . 0 0 "[ . 1 . 2]" 1
1236 1 16 GLN HG3 1 46 GLY HA2 . . 4.570 4.005 2.339 4.715 0.145 20 0 "[ . 1 . 2]" 1
1237 1 16 GLN H 1 16 GLN HB3 . . 4.150 2.890 2.537 3.280 . 0 0 "[ . 1 . 2]" 1
1238 1 17 LEU HB2 1 18 PRO HD2 . . 4.520 4.062 3.743 4.300 . 0 0 "[ . 1 . 2]" 1
1239 1 17 LEU HB2 1 18 PRO HD3 . . 5.030 4.570 4.399 4.688 . 0 0 "[ . 1 . 2]" 1
1240 1 17 LEU QD 1 18 PRO HD3 . . 3.360 2.595 2.268 3.187 . 0 0 "[ . 1 . 2]" 1
1241 1 17 LEU QD 1 99 VAL QG . . 2.740 1.879 1.626 2.140 . 0 0 "[ . 1 . 2]" 1
1242 1 18 PRO HA 1 19 HIS HD2 . . 4.790 4.094 3.421 4.790 . 0 0 "[ . 1 . 2]" 1
1243 1 18 PRO HB2 1 97 ASN HD22 . . 4.950 4.909 4.197 5.881 0.931 2 5 "[*+ .*- 1 * . 2]" 1
1244 1 113 LEU HA 1 114 PRO HG3 . . 4.650 4.240 4.181 4.285 . 0 0 "[ . 1 . 2]" 1
1245 1 28 LEU QD 1 114 PRO HG2 . . 4.530 3.267 2.571 3.480 . 0 0 "[ . 1 . 2]" 1
1246 1 18 PRO HD3 1 97 ASN H . . 4.530 3.961 3.732 4.132 . 0 0 "[ . 1 . 2]" 1
1247 1 18 PRO HD3 1 97 ASN HD21 . . 4.840 3.384 2.900 3.634 . 0 0 "[ . 1 . 2]" 1
1248 1 17 LEU HB3 1 18 PRO HD3 . . 4.520 3.517 3.227 3.802 . 0 0 "[ . 1 . 2]" 1
1249 1 18 PRO HD2 1 97 ASN HD22 . . 4.590 3.685 3.539 4.103 . 0 0 "[ . 1 . 2]" 1
1250 1 19 HIS QB 1 43 PRO HB2 . . 4.840 2.851 1.980 4.348 . 0 0 "[ . 1 . 2]" 1
1251 1 19 HIS QB 1 44 PHE HB3 . . 4.720 3.216 2.822 3.612 . 0 0 "[ . 1 . 2]" 1
1252 1 19 HIS HD2 1 44 PHE QD . . 5.360 4.756 3.721 5.362 0.002 3 0 "[ . 1 . 2]" 1
1253 1 20 ALA MB 1 103 GLN H . . 4.640 3.447 3.245 3.731 . 0 0 "[ . 1 . 2]" 1
1254 1 21 PRO HB2 1 40 TRP HD1 . . 5.080 2.665 2.484 2.873 . 0 0 "[ . 1 . 2]" 1
1255 1 21 PRO HB2 1 93 LEU HG . . 4.920 3.983 3.559 4.308 . 0 0 "[ . 1 . 2]" 1
1256 1 21 PRO HB2 1 93 LEU QD . . 4.740 3.467 3.119 3.722 . 0 0 "[ . 1 . 2]" 1
1257 1 21 PRO HB3 1 22 GLU H . . 4.690 3.781 3.448 4.095 . 0 0 "[ . 1 . 2]" 1
1258 1 21 PRO HG2 1 53 TYR QE . . 5.000 4.570 3.957 5.004 0.004 1 0 "[ . 1 . 2]" 1
1259 1 21 PRO HG3 1 53 TYR QE . . 4.850 2.946 2.262 3.391 . 0 0 "[ . 1 . 2]" 1
1260 1 21 PRO HG3 1 95 ALA MB . . 4.730 4.685 4.409 4.784 0.054 9 0 "[ . 1 . 2]" 1
1261 1 21 PRO HG2 1 93 LEU HG . . 4.820 2.790 2.464 3.025 . 0 0 "[ . 1 . 2]" 1
1262 1 22 GLU HB3 1 23 HIS HB3 . . 4.450 4.537 3.342 5.086 0.636 5 3 "[ + * 1 - 2]" 1
1263 1 21 PRO HA 1 22 GLU HG3 . . 4.870 4.739 3.977 5.682 0.812 4 2 "[ +.- 1 . 2]" 1
1264 1 22 GLU HG3 1 41 THR HB . . 4.890 4.625 4.267 4.895 0.005 16 0 "[ . 1 . 2]" 1
1265 1 22 GLU HG3 1 41 THR MG . . 4.920 4.447 3.115 4.939 0.019 18 0 "[ . 1 . 2]" 1
1266 1 22 GLU HG2 1 23 HIS H . . 4.390 3.536 3.095 4.261 . 0 0 "[ . 1 . 2]" 1
1267 1 23 HIS HA 1 25 VAL QG . . 5.070 3.340 3.126 3.640 . 0 0 "[ . 1 . 2]" 1
1268 1 22 GLU HB2 1 23 HIS HB2 . . 4.890 4.358 3.578 5.716 0.826 20 2 "[ . 1 - . +]" 1
1269 1 23 HIS HB3 1 41 THR HB . . 5.100 3.910 3.346 4.576 . 0 0 "[ . 1 . 2]" 1
1270 1 22 GLU HB3 1 23 HIS HD2 . . 4.580 4.258 2.987 4.619 0.039 14 0 "[ . 1 . 2]" 1
1271 1 23 HIS HA 1 23 HIS HD2 . . 4.900 3.890 3.610 4.456 . 0 0 "[ . 1 . 2]" 1
1272 1 23 HIS H 1 23 HIS HD2 . . 5.500 4.038 3.196 4.481 . 0 0 "[ . 1 . 2]" 1
1273 1 24 PRO HA 1 41 THR H . . 4.410 4.498 4.378 4.630 0.220 15 0 "[ . 1 . 2]" 1
1274 1 24 PRO HA 1 39 THR H . . 4.680 4.682 4.484 4.802 0.122 12 0 "[ . 1 . 2]" 1
1275 1 24 PRO HG2 1 105 SER HG . . 4.820 4.724 4.502 4.848 0.028 11 0 "[ . 1 . 2]" 1
1276 1 24 PRO HG3 1 105 SER HG . . 4.700 3.959 3.784 4.095 . 0 0 "[ . 1 . 2]" 1
1277 1 23 HIS HA 1 24 PRO HG2 . . 4.930 4.748 4.713 4.792 . 0 0 "[ . 1 . 2]" 1
1278 1 23 HIS HA 1 24 PRO HG3 . . 4.720 4.943 4.902 4.995 0.275 3 0 "[ . 1 . 2]" 1
1279 1 24 PRO HG3 1 108 THR MG . . 4.510 4.242 3.904 4.536 0.026 3 0 "[ . 1 . 2]" 1
1280 1 24 PRO HD3 1 105 SER HB2 . . 4.610 4.197 4.099 4.435 . 0 0 "[ . 1 . 2]" 1
1281 1 25 VAL HA 1 26 ALA HA . . 4.610 4.412 4.377 4.459 . 0 0 "[ . 1 . 2]" 1
1282 1 25 VAL HB 1 26 ALA H . . 4.560 3.775 3.050 4.191 . 0 0 "[ . 1 . 2]" 1
1283 1 25 VAL HB 1 39 THR HG1 . . 4.500 2.826 1.997 3.983 . 0 0 "[ . 1 . 2]" 1
1284 1 25 VAL HB 1 39 THR MG . . 4.680 4.301 3.815 4.717 0.037 3 0 "[ . 1 . 2]" 1
1285 1 23 HIS HB2 1 25 VAL QG . . 4.280 4.197 3.161 4.491 0.211 5 0 "[ . 1 . 2]" 1
1286 1 23 HIS HB3 1 25 VAL QG . . 4.760 3.189 2.939 4.471 . 0 0 "[ . 1 . 2]" 1
1287 1 26 ALA MB 1 109 GLU H . . 4.450 3.935 3.294 4.465 0.015 20 0 "[ . 1 . 2]" 1
1288 1 26 ALA MB 1 108 THR MG . . 3.170 2.345 1.904 2.838 . 0 0 "[ . 1 . 2]" 1
1289 1 26 ALA HA 1 27 THR HA . . 4.750 4.391 4.380 4.404 . 0 0 "[ . 1 . 2]" 1
1290 1 27 THR HA 1 28 LEU HA . . 4.790 4.252 4.234 4.270 . 0 0 "[ . 1 . 2]" 1
1291 1 27 THR HB 1 28 LEU HB2 . . 4.750 4.597 4.180 4.865 0.115 11 0 "[ . 1 . 2]" 1
1292 1 27 THR HB 1 37 ASN HB2 . . 4.520 4.364 3.822 4.560 0.040 6 0 "[ . 1 . 2]" 1
1293 1 27 THR HB 1 37 ASN HB3 . . 4.870 4.810 4.606 4.916 0.046 17 0 "[ . 1 . 2]" 1
1294 1 30 THR H 1 30 THR MG . . 4.510 2.133 1.883 2.499 . 0 0 "[ . 1 . 2]" 1
1295 1 30 THR MG 1 31 VAL H . . 4.820 4.201 3.867 4.410 . 0 0 "[ . 1 . 2]" 1
1296 1 26 ALA HA 1 27 THR MG . . 4.440 4.272 4.169 4.376 . 0 0 "[ . 1 . 2]" 1
1297 1 28 LEU HG 1 29 SER H . . 4.710 3.996 2.713 4.329 . 0 0 "[ . 1 . 2]" 1
1298 1 28 LEU QD 1 114 PRO HB3 . . 4.540 3.595 3.275 4.226 . 0 0 "[ . 1 . 2]" 1
1299 1 28 LEU HB3 1 28 LEU QD . . 2.890 2.155 2.030 2.195 . 0 0 "[ . 1 . 2]" 1
1300 1 28 LEU QD 1 37 ASN H . . 4.920 4.414 4.042 4.729 . 0 0 "[ . 1 . 2]" 1
1301 1 28 LEU QD 1 36 ILE MD . . 3.250 2.899 2.588 3.198 . 0 0 "[ . 1 . 2]" 1
1302 1 29 SER HA 1 30 THR MG . . 4.620 3.665 3.255 4.600 . 0 0 "[ . 1 . 2]" 1
1303 1 29 SER HB2 1 35 ALA H . . 4.630 3.556 2.577 4.662 0.032 16 0 "[ . 1 . 2]" 1
1304 1 29 SER HB3 1 35 ALA H . . 4.760 4.032 3.214 4.777 0.017 9 0 "[ . 1 . 2]" 1
1305 1 30 THR HB 1 31 VAL QG . . 4.570 4.148 3.720 4.491 . 0 0 "[ . 1 . 2]" 1
1306 1 28 LEU H 1 30 THR MG . . 4.680 4.592 3.868 4.840 0.160 19 0 "[ . 1 . 2]" 1
1307 1 32 GLU HA 1 33 ARG HA . . 4.780 4.309 4.244 4.344 . 0 0 "[ . 1 . 2]" 1
1308 1 32 GLU HB2 1 33 ARG H . . 4.550 4.448 3.996 4.632 0.082 3 0 "[ . 1 . 2]" 1
1309 1 31 VAL QG 1 32 GLU HB2 . . 4.730 2.535 2.360 2.946 . 0 0 "[ . 1 . 2]" 1
1310 1 32 GLU QG 1 33 ARG H . . 4.100 3.630 2.732 3.934 . 0 0 "[ . 1 . 2]" 1
1311 1 33 ARG HA 1 34 ARG HA . . 4.370 4.370 4.325 4.409 0.039 19 0 "[ . 1 . 2]" 1
1312 1 33 ARG HG2 1 34 ARG H . . 4.500 4.627 4.357 5.245 0.745 7 1 "[ . + 1 . 2]" 1
1313 1 32 GLU HA 1 33 ARG HG2 . . 4.590 4.286 3.685 5.524 0.934 7 1 "[ . + 1 . 2]" 1
1314 1 34 ARG HA 1 35 ALA MB . . 4.990 4.500 4.398 4.667 . 0 0 "[ . 1 . 2]" 1
1315 1 34 ARG HB2 1 83 LEU H . . 4.880 3.246 2.151 4.397 . 0 0 "[ . 1 . 2]" 1
1316 1 34 ARG HD2 1 85 PRO HD3 . . 4.430 3.240 1.996 4.509 0.079 1 0 "[ . 1 . 2]" 1
1317 1 34 ARG HD3 1 85 PRO HD3 . . 4.480 3.439 2.549 4.511 0.031 7 0 "[ . 1 . 2]" 1
1318 1 35 ALA HA 1 36 ILE MD . . 4.890 4.782 4.349 4.960 0.070 16 0 "[ . 1 . 2]" 1
1319 1 35 ALA HA 1 80 VAL HB . . 4.630 4.243 3.818 4.535 . 0 0 "[ . 1 . 2]" 1
1320 1 35 ALA HA 1 80 VAL H . . 5.000 4.363 3.962 4.699 . 0 0 "[ . 1 . 2]" 1
1321 1 35 ALA MB 1 80 VAL H . . 4.410 4.107 3.842 4.429 0.019 18 0 "[ . 1 . 2]" 1
1322 1 34 ARG H 1 35 ALA MB . . 4.800 4.394 4.269 4.520 . 0 0 "[ . 1 . 2]" 1
1323 1 35 ALA MB 1 81 LYS H . . 4.590 4.584 4.458 4.654 0.064 12 0 "[ . 1 . 2]" 1
1324 1 35 ALA MB 1 79 THR HA . . 4.720 4.614 4.264 4.820 0.100 15 0 "[ . 1 . 2]" 1
1325 1 35 ALA MB 1 81 LYS QE . . 4.680 3.779 3.352 4.242 . 0 0 "[ . 1 . 2]" 1
1326 1 35 ALA MB 1 36 ILE HA . . 4.700 4.077 3.949 4.222 . 0 0 "[ . 1 . 2]" 1
1327 1 36 ILE HB 1 80 VAL H . . 4.860 3.414 3.015 3.744 . 0 0 "[ . 1 . 2]" 1
1328 1 35 ALA HA 1 36 ILE HB . . 4.870 4.419 4.282 4.564 . 0 0 "[ . 1 . 2]" 1
1329 1 36 ILE HB 1 80 VAL QG . . 4.490 3.154 2.924 3.368 . 0 0 "[ . 1 . 2]" 1
1330 1 36 ILE HG13 1 37 ASN H . . 5.130 4.936 4.704 5.089 . 0 0 "[ . 1 . 2]" 1
1331 1 28 LEU HA 1 36 ILE HG13 . . 5.140 3.606 3.238 4.018 . 0 0 "[ . 1 . 2]" 1
1332 1 36 ILE HG12 1 83 LEU QD . . 4.710 3.366 3.067 3.631 . 0 0 "[ . 1 . 2]" 1
1333 1 36 ILE H 1 36 ILE HG12 . . 5.320 4.129 3.865 4.405 . 0 0 "[ . 1 . 2]" 1
1334 1 29 SER H 1 36 ILE MG . . 4.630 4.624 4.375 4.719 0.089 10 0 "[ . 1 . 2]" 1
1335 1 36 ILE MG 1 91 PHE QD . . 4.250 3.019 2.733 3.351 . 0 0 "[ . 1 . 2]" 1
1336 1 36 ILE MG 1 91 PHE HZ . . 4.240 3.617 3.043 4.091 . 0 0 "[ . 1 . 2]" 1
1337 1 36 ILE MG 1 38 LEU HA . . 4.560 3.803 3.574 4.177 . 0 0 "[ . 1 . 2]" 1
1338 1 36 ILE MG 1 37 ASN HA . . 4.720 3.801 3.468 4.162 . 0 0 "[ . 1 . 2]" 1
1339 1 36 ILE MG 1 111 VAL HB . . 4.710 3.574 2.880 3.852 . 0 0 "[ . 1 . 2]" 1
1340 1 36 ILE MG 1 80 VAL HB . . 4.340 3.906 3.449 4.281 . 0 0 "[ . 1 . 2]" 1
1341 1 36 ILE MG 1 83 LEU QD . . 4.290 3.696 3.465 3.984 . 0 0 "[ . 1 . 2]" 1
1342 1 36 ILE H 1 36 ILE MD . . 4.250 4.005 3.833 4.324 0.074 10 0 "[ . 1 . 2]" 1
1343 1 36 ILE MD 1 91 PHE QD . . 4.090 3.818 3.523 4.025 . 0 0 "[ . 1 . 2]" 1
1344 1 28 LEU HA 1 36 ILE MD . . 4.130 3.924 3.674 4.143 0.013 20 0 "[ . 1 . 2]" 1
1345 1 36 ILE HB 1 36 ILE MD . . 3.020 2.275 2.169 2.475 . 0 0 "[ . 1 . 2]" 1
1346 1 36 ILE MD 1 111 VAL QG . . 3.050 1.944 1.615 2.236 . 0 0 "[ . 1 . 2]" 1
1347 1 36 ILE HA 1 37 ASN HB2 . . 4.770 4.126 4.063 4.252 . 0 0 "[ . 1 . 2]" 1
1348 1 38 LEU HA 1 78 VAL MG1 . . 4.860 4.385 4.117 4.649 . 0 0 "[ . 1 . 2]" 1
1349 1 36 ILE MG 1 38 LEU HB2 . . 4.370 3.695 3.250 4.224 . 0 0 "[ . 1 . 2]" 1
1350 1 37 ASN HA 1 38 LEU HB2 . . 4.390 4.339 4.246 4.473 0.083 18 0 "[ . 1 . 2]" 1
1351 1 38 LEU H 1 38 LEU HG . . 4.490 4.506 4.422 4.679 0.189 18 0 "[ . 1 . 2]" 1
1352 1 38 LEU HG 1 40 TRP HZ3 . . 4.750 3.891 3.586 4.283 . 0 0 "[ . 1 . 2]" 1
1353 1 38 LEU QD 1 40 TRP HZ3 . . 4.630 2.141 1.954 2.376 . 0 0 "[ . 1 . 2]" 1
1354 1 26 ALA H 1 38 LEU QD . . 4.420 3.873 3.620 4.352 . 0 0 "[ . 1 . 2]" 1
1355 1 38 LEU QD 1 78 VAL MG1 . . 2.920 2.449 1.944 2.908 . 0 0 "[ . 1 . 2]" 1
1356 1 39 THR HA 1 40 TRP HE3 . . 4.400 2.986 2.761 3.202 . 0 0 "[ . 1 . 2]" 1
1357 1 38 LEU H 1 39 THR MG . . 4.660 3.793 3.434 4.075 . 0 0 "[ . 1 . 2]" 1
1358 1 38 LEU HA 1 39 THR MG . . 4.450 3.297 2.956 3.586 . 0 0 "[ . 1 . 2]" 1
1359 1 37 ASN HB3 1 39 THR MG . . 4.260 2.994 2.733 3.216 . 0 0 "[ . 1 . 2]" 1
1360 1 37 ASN HB2 1 39 THR MG . . 4.640 4.433 4.097 4.641 0.001 3 0 "[ . 1 . 2]" 1
1361 1 40 TRP HD1 1 43 PRO HD3 . . 5.150 2.959 2.789 3.108 . 0 0 "[ . 1 . 2]" 1
1362 1 21 PRO HB3 1 40 TRP HD1 . . 4.800 2.020 1.971 2.146 . 0 0 "[ . 1 . 2]" 1
1363 1 40 TRP HD1 1 76 THR MG . . 5.500 3.794 3.562 4.261 . 0 0 "[ . 1 . 2]" 1
1364 1 38 LEU HG 1 40 TRP HE3 . . 4.880 3.821 2.721 4.678 . 0 0 "[ . 1 . 2]" 1
1365 1 40 TRP HZ2 1 76 THR MG . . 4.470 4.508 4.470 4.584 0.114 18 0 "[ . 1 . 2]" 1
1366 1 40 TRP HZ2 1 78 VAL MG2 . . 5.340 5.375 5.346 5.411 0.071 20 0 "[ . 1 . 2]" 1
1367 1 40 TRP HZ2 1 78 VAL HB . . 4.850 4.384 4.262 4.495 . 0 0 "[ . 1 . 2]" 1
1368 1 40 TRP HH2 1 75 ALA MB . . 4.480 3.702 3.461 3.852 . 0 0 "[ . 1 . 2]" 1
1369 1 41 THR HA 1 42 LYS HB2 . . 4.690 4.215 4.163 4.309 . 0 0 "[ . 1 . 2]" 1
1370 1 40 TRP HA 1 41 THR HA . . 4.890 4.402 4.372 4.431 . 0 0 "[ . 1 . 2]" 1
1371 1 22 GLU HG2 1 41 THR HB . . 5.060 4.954 4.717 5.106 0.046 15 0 "[ . 1 . 2]" 1
1372 1 40 TRP HA 1 41 THR HB . . 4.880 4.513 4.261 4.743 . 0 0 "[ . 1 . 2]" 1
1373 1 22 GLU HA 1 41 THR HB . . 4.920 4.188 3.862 4.558 . 0 0 "[ . 1 . 2]" 1
1374 1 22 GLU H 1 41 THR MG . . 4.500 3.537 3.014 4.219 . 0 0 "[ . 1 . 2]" 1
1375 1 23 HIS HD2 1 41 THR MG . . 4.820 4.621 3.568 4.863 0.043 8 0 "[ . 1 . 2]" 1
1376 1 23 HIS HB3 1 41 THR MG . . 4.660 4.711 4.487 5.068 0.408 3 0 "[ . 1 . 2]" 1
1377 1 22 GLU HB3 1 41 THR MG . . 3.420 3.506 3.116 4.245 0.825 20 3 "[ . 1 * - +]" 1
1378 1 42 LYS HB3 1 76 THR MG . . 4.570 3.787 3.491 4.026 . 0 0 "[ . 1 . 2]" 1
1379 1 42 LYS HG3 1 50 LEU QD . . 4.830 3.869 3.179 4.647 . 0 0 "[ . 1 . 2]" 1
1380 1 42 LYS HG3 1 43 PRO HD2 . . 4.690 4.224 3.994 4.376 . 0 0 "[ . 1 . 2]" 1
1381 1 42 LYS H 1 42 LYS HG3 . . 4.960 4.494 4.413 4.587 . 0 0 "[ . 1 . 2]" 1
1382 1 42 LYS HD2 1 50 LEU QD . . 4.850 4.163 3.801 4.413 . 0 0 "[ . 1 . 2]" 1
1383 1 42 LYS HD2 1 76 THR MG . . 5.040 4.902 4.576 5.079 0.039 17 0 "[ . 1 . 2]" 1
1384 1 42 LYS H 1 42 LYS HD2 . . 5.240 4.996 4.638 5.259 0.019 2 0 "[ . 1 . 2]" 1
1385 1 42 LYS HD3 1 50 LEU QD . . 4.900 3.385 2.550 4.002 . 0 0 "[ . 1 . 2]" 1
1386 1 42 LYS HD3 1 76 THR MG . . 5.150 4.945 4.600 5.161 0.011 15 0 "[ . 1 . 2]" 1
1387 1 42 LYS H 1 42 LYS HD3 . . 5.120 4.904 4.579 5.138 0.018 4 0 "[ . 1 . 2]" 1
1388 1 42 LYS HE3 1 50 LEU H . . 5.010 4.976 4.549 5.368 0.358 17 0 "[ . 1 . 2]" 1
1389 1 42 LYS HE2 1 45 ASP QB . . 4.270 3.718 2.799 4.683 0.413 17 0 "[ . 1 . 2]" 1
1390 1 43 PRO HG2 1 95 ALA MB . . 4.790 2.497 2.015 2.846 . 0 0 "[ . 1 . 2]" 1
1391 1 43 PRO HG2 1 50 LEU QD . . 5.080 3.081 2.713 3.640 . 0 0 "[ . 1 . 2]" 1
1392 1 43 PRO HG3 1 50 LEU QD . . 5.170 4.260 3.858 4.938 . 0 0 "[ . 1 . 2]" 1
1393 1 43 PRO HG3 1 95 ALA MB . . 4.740 3.086 2.614 3.389 . 0 0 "[ . 1 . 2]" 1
1394 1 43 PRO HD2 1 53 TYR QE . . 4.730 3.862 3.524 4.274 . 0 0 "[ . 1 . 2]" 1
1395 1 43 PRO HD3 1 53 TYR QE . . 4.910 3.810 3.323 4.304 . 0 0 "[ . 1 . 2]" 1
1396 1 44 PHE QD 1 46 GLY HA2 . . 4.910 3.421 3.108 4.029 . 0 0 "[ . 1 . 2]" 1
1397 1 44 PHE QE 1 45 ASP H . . 4.580 4.499 3.717 4.656 0.076 12 0 "[ . 1 . 2]" 1
1398 1 45 ASP QB 1 50 LEU H . . 4.770 3.604 2.614 4.173 . 0 0 "[ . 1 . 2]" 1
1399 1 16 GLN HG3 1 46 GLY HA3 . . 4.630 3.875 2.461 4.644 0.014 1 0 "[ . 1 . 2]" 1
1400 1 16 GLN HB3 1 46 GLY HA3 . . 4.420 3.041 1.976 4.576 0.156 7 0 "[ . 1 . 2]" 1
1401 1 16 GLN HB2 1 46 GLY HA3 . . 4.460 3.775 2.520 4.595 0.135 17 0 "[ . 1 . 2]" 1
1402 1 44 PHE QE 1 46 GLY HA3 . . 4.420 3.987 3.361 4.385 . 0 0 "[ . 1 . 2]" 1
1403 1 16 GLN H 1 46 GLY HA3 . . 4.350 3.016 2.119 3.934 . 0 0 "[ . 1 . 2]" 1
1404 1 16 GLN H 1 46 GLY HA2 . . 4.530 4.016 3.221 4.597 0.067 14 0 "[ . 1 . 2]" 1
1405 1 44 PHE QE 1 46 GLY HA2 . . 4.280 2.387 1.976 3.134 . 0 0 "[ . 1 . 2]" 1
1406 1 15 ARG HG2 1 47 ASN HB2 . . 4.890 4.419 3.045 4.969 0.079 1 0 "[ . 1 . 2]" 1
1407 1 16 GLN H 1 47 ASN HB2 . . 4.640 2.740 2.050 4.391 . 0 0 "[ . 1 . 2]" 1
1408 1 16 GLN H 1 47 ASN HB3 . . 4.960 4.047 3.254 5.009 0.049 15 0 "[ . 1 . 2]" 1
1409 1 15 ARG HG2 1 47 ASN HB3 . . 4.910 4.004 2.246 4.933 0.023 18 0 "[ . 1 . 2]" 1
1410 1 15 ARG HG2 1 48 SER HB3 . . 4.550 4.421 3.945 4.598 0.048 20 0 "[ . 1 . 2]" 1
1411 1 48 SER HB3 1 97 ASN HB3 . . 4.880 4.067 3.430 4.638 . 0 0 "[ . 1 . 2]" 1
1412 1 48 SER HB3 1 97 ASN HD22 . . 4.500 4.162 2.769 4.534 0.034 2 0 "[ . 1 . 2]" 1
1413 1 48 SER HB2 1 97 ASN HD21 . . 4.610 3.611 2.857 3.962 . 0 0 "[ . 1 . 2]" 1
1414 1 48 SER HB2 1 97 ASN HD22 . . 4.820 4.417 3.426 4.833 0.013 16 0 "[ . 1 . 2]" 1
1415 1 48 SER HB2 1 97 ASN HB2 . . 4.430 4.143 3.716 4.468 0.038 2 0 "[ . 1 . 2]" 1
1416 1 45 ASP QB 1 49 PRO HA . . 4.480 3.540 2.748 4.056 . 0 0 "[ . 1 . 2]" 1
1417 1 50 LEU HA 1 51 ILE HB . . 4.350 4.297 4.189 4.392 0.042 5 0 "[ . 1 . 2]" 1
1418 1 49 PRO HA 1 50 LEU HB2 . . 4.820 4.648 4.481 4.889 0.069 1 0 "[ . 1 . 2]" 1
1419 1 50 LEU HB2 1 51 ILE H . . 5.090 3.917 3.356 4.159 . 0 0 "[ . 1 . 2]" 1
1420 1 50 LEU HB2 1 73 PRO HB3 . . 4.580 2.548 2.260 2.937 . 0 0 "[ . 1 . 2]" 1
1421 1 50 LEU HB3 1 73 PRO HB3 . . 4.680 2.516 2.171 3.381 . 0 0 "[ . 1 . 2]" 1
1422 1 49 PRO HA 1 50 LEU HG . . 5.180 4.014 3.485 5.512 0.332 12 0 "[ . 1 . 2]" 1
1423 1 50 LEU QD 1 96 VAL H . . 4.710 3.498 2.988 4.210 . 0 0 "[ . 1 . 2]" 1
1424 1 50 LEU QD 1 97 ASN HD21 . . 4.990 3.552 3.073 4.107 . 0 0 "[ . 1 . 2]" 1
1425 1 43 PRO HD2 1 50 LEU QD . . 4.500 2.909 2.602 3.503 . 0 0 "[ . 1 . 2]" 1
1426 1 51 ILE HA 1 73 PRO HB3 . . 4.500 3.654 3.099 4.222 . 0 0 "[ . 1 . 2]" 1
1427 1 51 ILE HB 1 52 ARG HG2 . . 4.900 3.753 3.465 4.005 . 0 0 "[ . 1 . 2]" 1
1428 1 51 ILE HG13 1 52 ARG H . . 4.750 4.626 4.500 4.798 0.048 6 0 "[ . 1 . 2]" 1
1429 1 51 ILE MG 1 52 ARG HD3 . . 4.220 4.202 4.125 4.246 0.026 5 0 "[ . 1 . 2]" 1
1430 1 51 ILE MD 1 52 ARG H . . 4.820 4.580 4.382 4.762 . 0 0 "[ . 1 . 2]" 1
1431 1 51 ILE H 1 51 ILE MD . . 4.280 4.068 3.806 4.311 0.031 1 0 "[ . 1 . 2]" 1
1432 1 51 ILE MD 1 97 ASN HB2 . . 4.870 4.100 3.755 4.571 . 0 0 "[ . 1 . 2]" 1
1433 1 51 ILE MD 1 51 ILE MG . . 2.770 1.888 1.845 1.974 . 0 0 "[ . 1 . 2]" 1
1434 1 52 ARG HB3 1 71 VAL H . . 4.770 3.575 3.264 3.827 . 0 0 "[ . 1 . 2]" 1
1435 1 52 ARG H 1 52 ARG HG3 . . 5.040 3.499 3.128 3.929 . 0 0 "[ . 1 . 2]" 1
1436 1 52 ARG HG3 1 96 VAL MG2 . . 4.230 3.252 2.962 3.634 . 0 0 "[ . 1 . 2]" 1
1437 1 52 ARG HB2 1 52 ARG HD2 . . 4.290 3.562 3.328 3.767 . 0 0 "[ . 1 . 2]" 1
1438 1 52 ARG HD2 1 71 VAL H . . 4.830 4.402 3.814 4.819 . 0 0 "[ . 1 . 2]" 1
1439 1 52 ARG HD3 1 71 VAL H . . 4.910 3.078 2.406 3.682 . 0 0 "[ . 1 . 2]" 1
1440 1 52 ARG HD3 1 70 SER HB3 . . 4.770 4.600 3.075 4.922 0.152 13 0 "[ . 1 . 2]" 1
1441 1 53 TYR HA 1 96 VAL MG2 . . 4.470 2.903 2.416 3.486 . 0 0 "[ . 1 . 2]" 1
1442 1 53 TYR HA 1 71 VAL HB . . 5.020 4.103 3.923 4.309 . 0 0 "[ . 1 . 2]" 1
1443 1 53 TYR QD 1 71 VAL MG2 . . 5.000 4.910 4.702 5.039 0.039 8 0 "[ . 1 . 2]" 1
1444 1 40 TRP HZ2 1 53 TYR QD . . 4.900 4.168 3.052 4.453 . 0 0 "[ . 1 . 2]" 1
1445 1 43 PRO HG3 1 53 TYR QE . . 4.790 3.263 2.508 3.866 . 0 0 "[ . 1 . 2]" 1
1446 1 40 TRP HZ2 1 53 TYR QE . . 5.160 4.832 4.087 5.198 0.038 8 0 "[ . 1 . 2]" 1
1447 1 54 ILE MG 1 56 GLU H . . 4.680 4.250 3.868 4.574 . 0 0 "[ . 1 . 2]" 1
1448 1 54 ILE MG 1 67 LEU H . . 5.150 4.444 4.050 4.887 . 0 0 "[ . 1 . 2]" 1
1449 1 54 ILE MG 1 104 PHE HZ . . 4.230 3.189 2.781 4.070 . 0 0 "[ . 1 . 2]" 1
1450 1 54 ILE H 1 54 ILE MD . . 4.500 3.705 2.868 4.046 . 0 0 "[ . 1 . 2]" 1
1451 1 55 LEU HA 1 94 CYS H . . 4.700 4.010 3.867 4.423 . 0 0 "[ . 1 . 2]" 1
1452 1 55 LEU HB2 1 68 LEU H . . 4.790 4.552 3.408 4.826 0.036 1 0 "[ . 1 . 2]" 1
1453 1 55 LEU QD 1 91 PHE QE . . 4.130 3.217 2.566 3.546 . 0 0 "[ . 1 . 2]" 1
1454 1 55 LEU QD 1 68 LEU H . . 4.460 2.981 2.110 3.659 . 0 0 "[ . 1 . 2]" 1
1455 1 55 LEU H 1 55 LEU QD . . 4.540 3.612 3.430 3.726 . 0 0 "[ . 1 . 2]" 1
1456 1 56 GLU HA 1 66 VAL QG . . 4.540 3.723 3.459 3.933 . 0 0 "[ . 1 . 2]" 1
1457 1 56 GLU HB3 1 92 ARG HE . . 4.990 2.680 1.948 5.025 0.035 20 0 "[ . 1 . 2]" 1
1458 1 56 GLU HB3 1 92 ARG HG2 . . 5.030 4.351 3.845 5.034 0.004 12 0 "[ . 1 . 2]" 1
1459 1 56 GLU HB2 1 92 ARG HE . . 5.090 2.315 1.908 5.123 0.033 17 0 "[ . 1 . 2]" 1
1460 1 56 GLU HB2 1 92 ARG HG3 . . 4.700 2.630 2.138 3.088 . 0 0 "[ . 1 . 2]" 1
1461 1 56 GLU QG 1 104 PHE QE . . 4.660 2.981 1.994 3.964 . 0 0 "[ . 1 . 2]" 1
1462 1 56 GLU QG 1 57 MET H . . 4.570 3.770 3.511 4.344 . 0 0 "[ . 1 . 2]" 1
1463 1 56 GLU QG 1 67 LEU H . . 5.000 3.528 3.124 4.162 . 0 0 "[ . 1 . 2]" 1
1464 1 54 ILE MG 1 56 GLU QG . . 4.630 2.675 2.165 3.725 . 0 0 "[ . 1 . 2]" 1
1465 1 57 MET HA 1 92 ARG H . . 4.470 3.832 3.684 3.976 . 0 0 "[ . 1 . 2]" 1
1466 1 57 MET HA 1 91 PHE QD . . 4.440 2.958 2.295 3.540 . 0 0 "[ . 1 . 2]" 1
1467 1 57 MET HA 1 64 TRP HE3 . . 4.590 3.494 2.915 3.872 . 0 0 "[ . 1 . 2]" 1
1468 1 57 MET HB2 1 91 PHE QD . . 4.730 2.545 1.994 2.819 . 0 0 "[ . 1 . 2]" 1
1469 1 57 MET HB2 1 58 SER H . . 5.140 4.045 3.812 4.242 . 0 0 "[ . 1 . 2]" 1
1470 1 57 MET HB2 1 67 LEU QD . . 4.410 2.267 1.637 3.515 . 0 0 "[ . 1 . 2]" 1
1471 1 57 MET HB3 1 67 LEU HB3 . . 4.700 4.504 3.980 4.765 0.065 17 0 "[ . 1 . 2]" 1
1472 1 57 MET HB3 1 91 PHE QE . . 4.390 3.834 3.381 4.161 . 0 0 "[ . 1 . 2]" 1
1473 1 57 MET HB3 1 89 TYR QD . . 5.030 4.885 4.615 5.060 0.030 6 0 "[ . 1 . 2]" 1
1474 1 57 MET HB3 1 91 PHE QD . . 4.410 4.210 3.655 4.463 0.053 19 0 "[ . 1 . 2]" 1
1475 1 57 MET H 1 57 MET HG2 . . 4.590 4.280 4.070 4.479 . 0 0 "[ . 1 . 2]" 1
1476 1 57 MET HG2 1 58 SER H . . 4.350 2.472 2.031 2.876 . 0 0 "[ . 1 . 2]" 1
1477 1 57 MET HG2 1 91 PHE QD . . 5.190 4.571 3.907 5.088 . 0 0 "[ . 1 . 2]" 1
1478 1 57 MET HG2 1 91 PHE QE . . 4.930 4.212 3.698 4.795 . 0 0 "[ . 1 . 2]" 1
1479 1 57 MET HG3 1 58 SER H . . 4.450 2.921 2.507 3.936 . 0 0 "[ . 1 . 2]" 1
1480 1 57 MET HG3 1 91 PHE QD . . 4.970 3.402 2.821 4.346 . 0 0 "[ . 1 . 2]" 1
1481 1 57 MET ME 1 89 TYR HH . . 4.690 3.999 3.579 4.526 . 0 0 "[ . 1 . 2]" 1
1482 1 57 MET H 1 57 MET ME . . 4.260 4.025 3.858 4.238 . 0 0 "[ . 1 . 2]" 1
1483 1 57 MET ME 1 65 THR H . . 4.830 4.585 4.366 4.759 . 0 0 "[ . 1 . 2]" 1
1484 1 57 MET ME 1 59 GLU H . . 4.230 3.729 3.553 3.998 . 0 0 "[ . 1 . 2]" 1
1485 1 57 MET ME 1 58 SER H . . 4.700 4.453 4.174 4.770 0.070 12 0 "[ . 1 . 2]" 1
1486 1 57 MET ME 1 91 PHE QE . . 4.250 4.120 3.560 4.275 0.025 14 0 "[ . 1 . 2]" 1
1487 1 57 MET HA 1 57 MET ME . . 4.490 4.426 4.259 4.614 0.124 15 0 "[ . 1 . 2]" 1
1488 1 57 MET ME 1 58 SER HA . . 4.650 4.368 3.801 4.720 0.070 12 0 "[ . 1 . 2]" 1
1489 1 57 MET HB3 1 57 MET ME . . 3.170 2.146 1.998 2.425 . 0 0 "[ . 1 . 2]" 1
1490 1 58 SER HA 1 65 THR H . . 5.050 3.614 3.313 3.808 . 0 0 "[ . 1 . 2]" 1
1491 1 103 GLN H 1 103 GLN HB2 . . 3.870 3.637 2.101 3.908 0.038 4 0 "[ . 1 . 2]" 1
1492 1 58 SER H 1 58 SER HB2 . . 4.140 3.411 3.145 3.562 . 0 0 "[ . 1 . 2]" 1
1493 1 59 GLU HA 1 90 GLN H . . 4.580 3.500 3.111 3.931 . 0 0 "[ . 1 . 2]" 1
1494 1 59 GLU HA 1 60 ASN HA . . 4.410 4.332 4.295 4.363 . 0 0 "[ . 1 . 2]" 1
1495 1 58 SER HB3 1 59 GLU H . . 4.780 4.623 4.563 4.663 . 0 0 "[ . 1 . 2]" 1
1496 1 58 SER HB3 1 64 TRP HZ2 . . 5.030 4.665 3.963 5.090 0.060 8 0 "[ . 1 . 2]" 1
1497 1 59 GLU H 1 59 GLU HG3 . . 4.790 4.267 4.025 4.634 . 0 0 "[ . 1 . 2]" 1
1498 1 59 GLU H 1 59 GLU HG2 . . 5.040 4.408 4.006 4.607 . 0 0 "[ . 1 . 2]" 1
1499 1 59 GLU HG2 1 87 ARG HD2 . . 5.000 4.273 3.555 4.751 . 0 0 "[ . 1 . 2]" 1
1500 1 59 GLU HG2 1 87 ARG HD3 . . 4.470 3.399 2.849 3.842 . 0 0 "[ . 1 . 2]" 1
1501 1 59 GLU HG2 1 60 ASN HB2 . . 5.000 3.359 2.378 3.759 . 0 0 "[ . 1 . 2]" 1
1502 1 59 GLU HG3 1 60 ASN HB2 . . 5.360 4.872 3.644 5.308 . 0 0 "[ . 1 . 2]" 1
1503 1 57 MET ME 1 59 GLU HG3 . . 4.950 3.700 3.118 4.939 . 0 0 "[ . 1 . 2]" 1
1504 1 57 MET ME 1 59 GLU HG2 . . 4.970 4.878 4.458 5.034 0.064 15 0 "[ . 1 . 2]" 1
1505 1 59 GLU HG2 1 87 ARG HB3 . . 4.780 3.512 3.056 4.013 . 0 0 "[ . 1 . 2]" 1
1506 1 59 GLU HG3 1 60 ASN H . . 4.860 3.561 2.608 4.762 . 0 0 "[ . 1 . 2]" 1
1507 1 59 GLU HG2 1 60 ASN H . . 4.790 2.508 1.826 3.867 . 0 0 "[ . 1 . 2]" 1
1508 1 60 ASN HA 1 88 SER H . . 4.830 4.370 3.907 4.794 . 0 0 "[ . 1 . 2]" 1
1509 1 60 ASN HB3 1 61 ASN H . . 4.620 3.394 1.950 4.312 . 0 0 "[ . 1 . 2]" 1
1510 1 59 GLU HG2 1 60 ASN HB3 . . 4.970 4.947 4.063 5.168 0.198 12 0 "[ . 1 . 2]" 1
1511 1 60 ASN HB3 1 62 ALA MB . . 5.200 4.917 3.683 5.212 0.012 4 0 "[ . 1 . 2]" 1
1512 1 61 ASN HA 1 62 ALA MB . . 5.160 4.672 4.517 4.755 . 0 0 "[ . 1 . 2]" 1
1513 1 62 ALA HA 1 63 PRO HG3 . . 4.320 4.230 4.219 4.241 . 0 0 "[ . 1 . 2]" 1
1514 1 62 ALA MB 1 63 PRO HA . . 4.560 4.344 4.328 4.374 . 0 0 "[ . 1 . 2]" 1
1515 1 60 ASN HB2 1 62 ALA MB . . 4.540 4.193 3.209 4.554 0.014 3 0 "[ . 1 . 2]" 1
1516 1 62 ALA MB 1 63 PRO HG2 . . 4.640 4.374 4.249 4.459 . 0 0 "[ . 1 . 2]" 1
1517 1 56 GLU HB3 1 64 TRP HA . . 4.450 3.137 2.721 3.464 . 0 0 "[ . 1 . 2]" 1
1518 1 58 SER HB3 1 64 TRP HA . . 4.550 4.259 3.481 4.625 0.075 18 0 "[ . 1 . 2]" 1
1519 1 56 GLU HB3 1 64 TRP HB3 . . 4.900 2.048 1.962 2.367 . 0 0 "[ . 1 . 2]" 1
1520 1 56 GLU HB3 1 64 TRP HB2 . . 5.220 3.724 3.465 4.111 . 0 0 "[ . 1 . 2]" 1
1521 1 63 PRO HA 1 64 TRP HB2 . . 5.110 4.743 4.614 4.848 . 0 0 "[ . 1 . 2]" 1
1522 1 57 MET H 1 65 THR MG . . 4.470 2.647 2.117 2.820 . 0 0 "[ . 1 . 2]" 1
1523 1 64 TRP HA 1 65 THR MG . . 4.350 4.274 3.716 4.400 0.050 9 0 "[ . 1 . 2]" 1
1524 1 66 VAL HA 1 68 LEU H . . 4.500 4.144 3.895 4.344 . 0 0 "[ . 1 . 2]" 1
1525 1 66 VAL HA 1 67 LEU HB2 . . 4.730 4.367 4.221 4.918 0.188 17 0 "[ . 1 . 2]" 1
1526 1 56 GLU HB2 1 66 VAL HA . . 4.510 4.514 4.293 4.718 0.208 11 0 "[ . 1 . 2]" 1
1527 1 54 ILE MG 1 66 VAL HA . . 4.430 3.346 3.164 3.649 . 0 0 "[ . 1 . 2]" 1
1528 1 66 VAL HB 1 67 LEU H . . 5.170 4.522 4.393 4.581 . 0 0 "[ . 1 . 2]" 1
1529 1 57 MET H 1 67 LEU QD . . 4.860 3.573 2.365 4.253 . 0 0 "[ . 1 . 2]" 1
1530 1 55 LEU H 1 66 VAL QG . . 4.460 3.984 3.257 4.336 . 0 0 "[ . 1 . 2]" 1
1531 1 57 MET HB2 1 67 LEU HB2 . . 4.880 3.491 2.720 4.590 . 0 0 "[ . 1 . 2]" 1
1532 1 57 MET HB2 1 67 LEU HB3 . . 4.470 4.361 3.586 4.719 0.249 12 0 "[ . 1 . 2]" 1
1533 1 57 MET HB3 1 67 LEU HB2 . . 5.100 3.407 2.546 5.110 0.010 17 0 "[ . 1 . 2]" 1
1534 1 67 LEU H 1 67 LEU HG . . 5.160 3.637 2.076 4.511 . 0 0 "[ . 1 . 2]" 1
1535 1 13 ARG H 1 13 ARG HG3 . . 5.060 2.910 2.293 4.428 . 0 0 "[ . 1 . 2]" 1
1536 1 55 LEU QD 1 67 LEU HB3 . . 5.090 2.949 2.075 3.871 . 0 0 "[ . 1 . 2]" 1
1537 1 55 LEU QD 1 67 LEU HB2 . . 5.010 2.984 1.870 4.075 . 0 0 "[ . 1 . 2]" 1
1538 1 67 LEU QD 1 91 PHE HZ . . 4.790 4.080 3.543 4.526 . 0 0 "[ . 1 . 2]" 1
1539 1 68 LEU H 1 68 LEU HG . . 4.910 4.115 3.915 4.360 . 0 0 "[ . 1 . 2]" 1
1540 1 55 LEU HB3 1 68 LEU MD1 . . 4.240 3.864 3.631 4.474 0.234 17 0 "[ . 1 . 2]" 1
1541 1 54 ILE MD 1 69 ALA HA . . 4.390 4.055 1.890 4.404 0.014 6 0 "[ . 1 . 2]" 1
1542 1 54 ILE HG13 1 69 ALA HA . . 4.530 4.445 3.896 4.590 0.060 20 0 "[ . 1 . 2]" 1
1543 1 55 LEU H 1 69 ALA HA . . 4.580 4.059 3.596 4.317 . 0 0 "[ . 1 . 2]" 1
1544 1 69 ALA MB 1 70 SER HB3 . . 4.580 3.930 3.359 4.633 0.053 7 0 "[ . 1 . 2]" 1
1545 1 69 ALA MB 1 70 SER HB2 . . 4.500 4.125 3.404 4.607 0.107 19 0 "[ . 1 . 2]" 1
1546 1 54 ILE MG 1 69 ALA MB . . 3.820 3.510 2.896 3.843 0.023 17 0 "[ . 1 . 2]" 1
1547 1 54 ILE MD 1 69 ALA MB . . 4.660 4.075 3.090 4.439 . 0 0 "[ . 1 . 2]" 1
1548 1 70 SER HB3 1 71 VAL H . . 4.680 4.566 3.932 4.712 0.032 8 0 "[ . 1 . 2]" 1
1549 1 70 SER HB2 1 71 VAL H . . 4.680 4.303 3.995 4.691 0.011 14 0 "[ . 1 . 2]" 1
1550 1 68 LEU MD2 1 71 VAL HA . . 4.630 3.087 2.807 3.451 . 0 0 "[ . 1 . 2]" 1
1551 1 55 LEU H 1 71 VAL MG2 . . 4.290 3.092 2.815 3.435 . 0 0 "[ . 1 . 2]" 1
1552 1 40 TRP HH2 1 71 VAL MG2 . . 4.540 4.505 4.255 4.558 0.018 9 0 "[ . 1 . 2]" 1
1553 1 71 VAL MG2 1 93 LEU QD . . 4.660 3.793 3.436 4.058 . 0 0 "[ . 1 . 2]" 1
1554 1 71 VAL H 1 71 VAL MG1 . . 4.320 3.699 3.608 3.787 . 0 0 "[ . 1 . 2]" 1
1555 1 53 TYR H 1 71 VAL MG1 . . 4.450 3.226 2.955 3.420 . 0 0 "[ . 1 . 2]" 1
1556 1 71 VAL MG1 1 75 ALA H . . 4.680 4.216 4.074 4.420 . 0 0 "[ . 1 . 2]" 1
1557 1 71 VAL MG1 1 93 LEU QD . . 4.600 3.027 2.778 3.333 . 0 0 "[ . 1 . 2]" 1
1558 1 72 ASP HB3 1 73 PRO HD2 . . 4.380 3.291 3.109 3.609 . 0 0 "[ . 1 . 2]" 1
1559 1 72 ASP HB3 1 74 LYS H . . 4.500 2.814 2.567 3.089 . 0 0 "[ . 1 . 2]" 1
1560 1 50 LEU HB3 1 73 PRO HA . . 4.720 3.577 3.002 4.405 . 0 0 "[ . 1 . 2]" 1
1561 1 50 LEU QD 1 73 PRO HA . . 4.730 3.445 3.167 4.180 . 0 0 "[ . 1 . 2]" 1
1562 1 53 TYR H 1 73 PRO HA . . 5.020 5.042 4.918 5.100 0.080 20 0 "[ . 1 . 2]" 1
1563 1 73 PRO HA 1 75 ALA H . . 4.590 3.430 3.276 3.862 . 0 0 "[ . 1 . 2]" 1
1564 1 52 ARG H 1 73 PRO HB3 . . 5.220 3.697 3.269 3.833 . 0 0 "[ . 1 . 2]" 1
1565 1 50 LEU HB3 1 73 PRO HB2 . . 4.350 3.113 2.730 4.196 . 0 0 "[ . 1 . 2]" 1
1566 1 52 ARG H 1 73 PRO HB2 . . 5.440 5.377 4.933 5.472 0.032 2 0 "[ . 1 . 2]" 1
1567 1 72 ASP HA 1 73 PRO HG2 . . 4.660 4.518 4.466 4.562 . 0 0 "[ . 1 . 2]" 1
1568 1 72 ASP HA 1 73 PRO HG3 . . 4.600 4.247 4.242 4.257 . 0 0 "[ . 1 . 2]" 1
1569 1 73 PRO HG3 1 74 LYS H . . 4.480 4.252 4.078 4.464 . 0 0 "[ . 1 . 2]" 1
1570 1 73 PRO HG2 1 74 LYS H . . 4.650 3.103 2.833 3.428 . 0 0 "[ . 1 . 2]" 1
1571 1 73 PRO HG2 1 74 LYS HG3 . . 4.790 3.587 2.921 4.840 0.050 4 0 "[ . 1 . 2]" 1
1572 1 72 ASP H 1 73 PRO HD2 . . 5.020 5.033 5.026 5.035 0.015 8 0 "[ . 1 . 2]" 1
1573 1 73 PRO HD2 1 74 LYS H . . 4.560 2.294 2.253 2.411 . 0 0 "[ . 1 . 2]" 1
1574 1 73 PRO HD3 1 74 LYS H . . 4.870 3.663 3.655 3.696 . 0 0 "[ . 1 . 2]" 1
1575 1 72 ASP H 1 73 PRO HD3 . . 5.250 4.604 4.514 4.660 . 0 0 "[ . 1 . 2]" 1
1576 1 72 ASP HB3 1 73 PRO HD3 . . 4.830 4.099 3.975 4.306 . 0 0 "[ . 1 . 2]" 1
1577 1 74 LYS HB2 1 75 ALA H . . 4.960 3.878 3.220 4.265 . 0 0 "[ . 1 . 2]" 1
1578 1 74 LYS H 1 74 LYS HD2 . . 4.940 4.943 4.337 5.343 0.403 19 0 "[ . 1 . 2]" 1
1579 1 74 LYS HA 1 74 LYS QE . . 4.510 3.741 1.978 4.336 . 0 0 "[ . 1 . 2]" 1
1580 1 74 LYS H 1 74 LYS QE . . 4.930 4.096 2.235 4.635 . 0 0 "[ . 1 . 2]" 1
1581 1 75 ALA HA 1 76 THR HA . . 4.620 4.396 4.387 4.411 . 0 0 "[ . 1 . 2]" 1
1582 1 74 LYS H 1 75 ALA HA . . 4.940 4.854 4.674 4.965 0.025 19 0 "[ . 1 . 2]" 1
1583 1 75 ALA MB 1 78 VAL MG2 . . 4.550 4.482 4.322 4.553 0.003 15 0 "[ . 1 . 2]" 1
1584 1 72 ASP H 1 75 ALA MB . . 4.220 3.126 2.933 3.511 . 0 0 "[ . 1 . 2]" 1
1585 1 75 ALA MB 1 78 VAL HB . . 4.290 4.289 4.179 4.331 0.041 16 0 "[ . 1 . 2]" 1
1586 1 71 VAL MG1 1 75 ALA MB . . 3.200 2.815 2.611 3.077 . 0 0 "[ . 1 . 2]" 1
1587 1 75 ALA MB 1 76 THR HA . . 4.510 4.127 4.070 4.227 . 0 0 "[ . 1 . 2]" 1
1588 1 40 TRP H 1 76 THR HA . . 4.890 3.968 3.727 4.158 . 0 0 "[ . 1 . 2]" 1
1589 1 76 THR HB 1 77 SER H . . 5.090 4.288 4.143 4.474 . 0 0 "[ . 1 . 2]" 1
1590 1 40 TRP HE1 1 76 THR MG . . 4.400 3.283 3.101 3.589 . 0 0 "[ . 1 . 2]" 1
1591 1 76 THR MG 1 77 SER H . . 4.390 4.340 4.134 4.378 . 0 0 "[ . 1 . 2]" 1
1592 1 76 THR H 1 77 SER HB3 . . 5.300 4.681 3.966 4.852 . 0 0 "[ . 1 . 2]" 1
1593 1 40 TRP H 1 77 SER HB3 . . 5.310 3.830 3.512 5.030 . 0 0 "[ . 1 . 2]" 1
1594 1 40 TRP H 1 77 SER HB2 . . 5.200 5.102 3.681 5.218 0.018 6 0 "[ . 1 . 2]" 1
1595 1 39 THR HB 1 77 SER HB3 . . 4.940 3.255 2.253 4.869 . 0 0 "[ . 1 . 2]" 1
1596 1 76 THR HB 1 77 SER HB3 . . 5.460 4.769 4.594 5.137 . 0 0 "[ . 1 . 2]" 1
1597 1 39 THR HB 1 77 SER HB2 . . 5.050 4.464 3.213 4.993 . 0 0 "[ . 1 . 2]" 1
1598 1 77 SER HB2 1 78 VAL HA . . 5.140 4.256 4.083 5.545 0.405 10 0 "[ . 1 . 2]" 1
1599 1 78 VAL HA 1 79 THR HA . . 4.910 4.405 4.372 4.429 . 0 0 "[ . 1 . 2]" 1
1600 1 40 TRP HZ3 1 78 VAL HB . . 4.830 3.065 2.779 3.366 . 0 0 "[ . 1 . 2]" 1
1601 1 91 PHE QD 1 111 VAL QG . . 4.850 3.232 2.620 3.683 . 0 0 "[ . 1 . 2]" 1
1602 1 91 PHE QE 1 111 VAL QG . . 4.320 3.211 2.600 3.723 . 0 0 "[ . 1 . 2]" 1
1603 1 78 VAL MG1 1 93 LEU QD . . 4.460 3.102 2.806 3.472 . 0 0 "[ . 1 . 2]" 1
1604 1 78 VAL MG1 1 80 VAL QG . . 3.430 2.684 2.522 2.780 . 0 0 "[ . 1 . 2]" 1
1605 1 38 LEU HB3 1 78 VAL MG1 . . 3.090 1.921 1.843 1.993 . 0 0 "[ . 1 . 2]" 1
1606 1 78 VAL MG1 1 79 THR HA . . 4.310 3.728 3.517 4.010 . 0 0 "[ . 1 . 2]" 1
1607 1 40 TRP HE3 1 78 VAL MG1 . . 4.280 4.069 3.947 4.234 . 0 0 "[ . 1 . 2]" 1
1608 1 38 LEU H 1 78 VAL MG1 . . 4.240 3.265 2.789 3.659 . 0 0 "[ . 1 . 2]" 1
1609 1 78 VAL MG1 1 79 THR H . . 3.910 3.430 3.272 3.582 . 0 0 "[ . 1 . 2]" 1
1610 1 79 THR HA 1 80 VAL HB . . 4.800 4.533 4.452 4.684 . 0 0 "[ . 1 . 2]" 1
1611 1 36 ILE H 1 79 THR HA . . 4.970 4.043 3.865 4.257 . 0 0 "[ . 1 . 2]" 1
1612 1 79 THR HA 1 81 LYS QE . . 5.070 4.561 4.075 4.857 . 0 0 "[ . 1 . 2]" 1
1613 1 79 THR HA 1 81 LYS HG3 . . 4.990 4.938 4.690 5.074 0.084 2 0 "[ . 1 . 2]" 1
1614 1 79 THR HB 1 80 VAL H . . 4.680 4.369 4.136 4.615 . 0 0 "[ . 1 . 2]" 1
1615 1 35 ALA HA 1 79 THR MG . . 4.610 3.892 3.452 4.319 . 0 0 "[ . 1 . 2]" 1
1616 1 79 THR H 1 79 THR MG . . 3.900 3.816 3.731 3.862 . 0 0 "[ . 1 . 2]" 1
1617 1 38 LEU H 1 79 THR MG . . 5.050 4.634 4.387 4.822 . 0 0 "[ . 1 . 2]" 1
1618 1 79 THR MG 1 81 LYS HG3 . . 3.020 2.546 2.168 3.031 0.011 20 0 "[ . 1 . 2]" 1
1619 1 79 THR MG 1 80 VAL HA . . 4.250 4.161 3.938 4.283 0.033 20 0 "[ . 1 . 2]" 1
1620 1 80 VAL HA 1 81 LYS HG3 . . 4.440 3.673 3.234 4.323 . 0 0 "[ . 1 . 2]" 1
1621 1 79 THR HA 1 80 VAL HA . . 5.100 4.348 4.333 4.378 . 0 0 "[ . 1 . 2]" 1
1622 1 80 VAL HB 1 81 LYS H . . 4.700 4.243 3.804 4.524 . 0 0 "[ . 1 . 2]" 1
1623 1 85 PRO HB3 1 86 ALA H . . 4.620 3.731 3.601 3.816 . 0 0 "[ . 1 . 2]" 1
1624 1 80 VAL QG 1 83 LEU HA . . 4.620 4.527 4.322 4.612 . 0 0 "[ . 1 . 2]" 1
1625 1 80 VAL QG 1 91 PHE QD . . 4.720 3.151 2.911 3.472 . 0 0 "[ . 1 . 2]" 1
1626 1 79 THR HA 1 80 VAL QG . . 4.170 3.561 3.368 3.799 . 0 0 "[ . 1 . 2]" 1
1627 1 81 LYS HG2 1 82 GLY H . . 5.100 4.295 3.951 4.595 . 0 0 "[ . 1 . 2]" 1
1628 1 81 LYS H 1 81 LYS HG3 . . 4.270 2.765 2.070 3.364 . 0 0 "[ . 1 . 2]" 1
1629 1 81 LYS H 1 81 LYS HD2 . . 5.100 4.265 3.474 4.973 . 0 0 "[ . 1 . 2]" 1
1630 1 81 LYS HB2 1 81 LYS QE . . 4.450 3.477 2.393 4.084 . 0 0 "[ . 1 . 2]" 1
1631 1 81 LYS HB2 1 82 GLY HA2 . . 4.900 5.169 4.769 5.532 0.632 19 4 "[* - . 1 . *+2]" 1
1632 1 81 LYS HB2 1 82 GLY HA3 . . 5.090 4.596 4.291 4.967 . 0 0 "[ . 1 . 2]" 1
1633 1 83 LEU HA 1 89 TYR QE . . 4.900 3.617 3.440 4.021 . 0 0 "[ . 1 . 2]" 1
1634 1 83 LEU HB2 1 89 TYR QE . . 5.000 4.062 3.623 4.808 . 0 0 "[ . 1 . 2]" 1
1635 1 83 LEU HB2 1 84 VAL H . . 4.430 3.802 3.319 4.138 . 0 0 "[ . 1 . 2]" 1
1636 1 35 ALA HA 1 83 LEU QD . . 4.330 3.275 2.494 3.884 . 0 0 "[ . 1 . 2]" 1
1637 1 36 ILE HA 1 83 LEU QD . . 5.000 4.381 3.988 4.608 . 0 0 "[ . 1 . 2]" 1
1638 1 83 LEU QD 1 89 TYR HB2 . . 4.620 3.255 2.577 3.907 . 0 0 "[ . 1 . 2]" 1
1639 1 83 LEU QD 1 89 TYR HH . . 4.530 3.331 2.649 3.960 . 0 0 "[ . 1 . 2]" 1
1640 1 84 VAL HB 1 89 TYR HH . . 4.750 2.781 2.075 3.177 . 0 0 "[ . 1 . 2]" 1
1641 1 84 VAL HB 1 89 TYR QE . . 5.060 3.194 2.710 3.589 . 0 0 "[ . 1 . 2]" 1
1642 1 83 LEU HA 1 84 VAL HB . . 4.800 4.550 4.428 4.664 . 0 0 "[ . 1 . 2]" 1
1643 1 84 VAL MG1 1 89 TYR HH . . 4.990 4.323 3.728 4.636 . 0 0 "[ . 1 . 2]" 1
1644 1 84 VAL MG1 1 89 TYR QE . . 5.070 4.128 3.892 4.469 . 0 0 "[ . 1 . 2]" 1
1645 1 85 PRO HA 1 86 ALA MB . . 4.810 4.015 3.949 4.122 . 0 0 "[ . 1 . 2]" 1
1646 1 84 VAL MG1 1 85 PRO HG3 . . 4.950 4.283 4.122 4.515 . 0 0 "[ . 1 . 2]" 1
1647 1 84 VAL HA 1 85 PRO HG2 . . 4.680 4.480 4.419 4.529 . 0 0 "[ . 1 . 2]" 1
1648 1 84 VAL H 1 85 PRO HD3 . . 5.250 4.634 4.543 4.701 . 0 0 "[ . 1 . 2]" 1
1649 1 84 VAL H 1 85 PRO HD2 . . 5.360 5.039 5.014 5.050 . 0 0 "[ . 1 . 2]" 1
1650 1 34 ARG HD2 1 85 PRO HD2 . . 5.310 4.937 3.721 6.200 0.890 1 4 "[+ . *1* - . 2]" 1
1651 1 86 ALA HA 1 113 LEU H . . 5.100 4.316 3.971 4.659 . 0 0 "[ . 1 . 2]" 1
1652 1 86 ALA MB 1 115 GLU H . . 4.920 3.625 2.732 4.047 . 0 0 "[ . 1 . 2]" 1
1653 1 84 VAL MG1 1 86 ALA MB . . 4.410 4.050 3.837 4.230 . 0 0 "[ . 1 . 2]" 1
1654 1 85 PRO HB2 1 86 ALA MB . . 4.450 3.185 3.100 3.339 . 0 0 "[ . 1 . 2]" 1
1655 1 86 ALA MB 1 115 GLU HB2 . . 3.750 2.724 2.170 3.781 0.031 4 0 "[ . 1 . 2]" 1
1656 1 87 ARG HA 1 87 ARG HD3 . . 4.710 4.026 3.830 4.164 . 0 0 "[ . 1 . 2]" 1
1657 1 60 ASN HD22 1 87 ARG HA . . 4.470 2.760 2.078 3.842 . 0 0 "[ . 1 . 2]" 1
1658 1 87 ARG HA 1 88 SER HA . . 5.040 4.318 4.309 4.333 . 0 0 "[ . 1 . 2]" 1
1659 1 87 ARG HB2 1 89 TYR HH . . 5.240 4.607 3.896 5.029 . 0 0 "[ . 1 . 2]" 1
1660 1 60 ASN HD22 1 87 ARG HB3 . . 4.310 3.296 2.399 4.279 . 0 0 "[ . 1 . 2]" 1
1661 1 59 GLU HG3 1 87 ARG HB3 . . 4.750 3.835 2.867 4.230 . 0 0 "[ . 1 . 2]" 1
1662 1 87 ARG HG3 1 88 SER H . . 5.170 4.934 4.790 5.136 . 0 0 "[ . 1 . 2]" 1
1663 1 87 ARG HD2 1 89 TYR HH . . 5.160 3.841 3.057 4.334 . 0 0 "[ . 1 . 2]" 1
1664 1 84 VAL H 1 87 ARG HD2 . . 4.780 4.310 4.077 4.686 . 0 0 "[ . 1 . 2]" 1
1665 1 87 ARG HD2 1 89 TYR QE . . 4.520 4.220 3.784 4.560 0.040 10 0 "[ . 1 . 2]" 1
1666 1 87 ARG HA 1 87 ARG HD2 . . 4.900 4.523 4.459 4.667 . 0 0 "[ . 1 . 2]" 1
1667 1 59 GLU HG3 1 87 ARG HD2 . . 4.580 4.418 3.919 4.605 0.025 15 0 "[ . 1 . 2]" 1
1668 1 87 ARG HD3 1 89 TYR HH . . 5.150 4.771 4.112 5.164 0.014 11 0 "[ . 1 . 2]" 1
1669 1 87 ARG HD3 1 88 SER H . . 4.810 4.477 4.265 4.777 . 0 0 "[ . 1 . 2]" 1
1670 1 60 ASN HD21 1 87 ARG HD3 . . 5.150 2.738 2.019 3.322 . 0 0 "[ . 1 . 2]" 1
1671 1 60 ASN HD22 1 87 ARG HD3 . . 4.400 3.391 2.017 4.356 . 0 0 "[ . 1 . 2]" 1
1672 1 88 SER HA 1 89 TYR HB2 . . 4.800 4.080 4.001 4.191 . 0 0 "[ . 1 . 2]" 1
1673 1 88 SER HA 1 112 SER QB . . 4.530 3.227 2.607 3.974 . 0 0 "[ . 1 . 2]" 1
1674 1 60 ASN HA 1 88 SER QB . . 4.310 3.115 2.419 4.197 . 0 0 "[ . 1 . 2]" 1
1675 1 87 ARG HA 1 88 SER QB . . 4.670 4.361 4.018 4.489 . 0 0 "[ . 1 . 2]" 1
1676 1 60 ASN HD22 1 88 SER QB . . 4.850 3.602 2.962 4.707 . 0 0 "[ . 1 . 2]" 1
1677 1 60 ASN H 1 88 SER QB . . 4.620 3.987 2.920 4.527 . 0 0 "[ . 1 . 2]" 1
1678 1 89 TYR HA 1 90 GLN HG3 . . 4.980 4.524 4.203 5.491 0.511 11 1 "[ . 1+ . 2]" 1
1679 1 60 ASN H 1 89 TYR HA . . 4.740 4.198 2.755 4.819 0.079 3 0 "[ . 1 . 2]" 1
1680 1 58 SER H 1 89 TYR HA . . 4.480 4.391 4.157 4.514 0.034 13 0 "[ . 1 . 2]" 1
1681 1 89 TYR HB3 1 91 PHE HZ . . 4.570 3.577 3.156 4.221 . 0 0 "[ . 1 . 2]" 1
1682 1 89 TYR HB3 1 91 PHE QD . . 5.450 4.538 4.183 4.803 . 0 0 "[ . 1 . 2]" 1
1683 1 91 PHE H 1 91 PHE QE . . 5.500 5.337 4.913 5.559 0.059 4 0 "[ . 1 . 2]" 1
1684 1 57 MET HB2 1 91 PHE QE . . 4.670 2.457 2.085 2.849 . 0 0 "[ . 1 . 2]" 1
1685 1 57 MET HG3 1 91 PHE QE . . 4.830 2.949 2.294 3.674 . 0 0 "[ . 1 . 2]" 1
1686 1 91 PHE HA 1 92 ARG HA . . 4.840 4.441 4.387 4.516 . 0 0 "[ . 1 . 2]" 1
1687 1 92 ARG HB3 1 92 ARG HE . . 5.070 4.506 3.051 4.719 . 0 0 "[ . 1 . 2]" 1
1688 1 92 ARG HB2 1 92 ARG HE . . 5.260 3.989 3.250 4.287 . 0 0 "[ . 1 . 2]" 1
1689 1 92 ARG HG2 1 104 PHE QD . . 4.960 4.948 4.847 5.005 0.045 13 0 "[ . 1 . 2]" 1
1690 1 92 ARG HD2 1 104 PHE HB3 . . 4.690 2.950 2.413 4.372 . 0 0 "[ . 1 . 2]" 1
1691 1 92 ARG HD3 1 104 PHE HB3 . . 4.850 4.315 1.985 4.864 0.014 14 0 "[ . 1 . 2]" 1
1692 1 92 ARG HD2 1 104 PHE HB2 . . 4.940 3.482 3.064 4.951 0.011 20 0 "[ . 1 . 2]" 1
1693 1 92 ARG HD2 1 104 PHE QD . . 5.420 3.580 2.605 4.111 . 0 0 "[ . 1 . 2]" 1
1694 1 92 ARG HD3 1 104 PHE QD . . 5.290 4.655 2.525 5.263 . 0 0 "[ . 1 . 2]" 1
1695 1 93 LEU HA 1 104 PHE QD . . 4.480 2.809 2.369 3.490 . 0 0 "[ . 1 . 2]" 1
1696 1 93 LEU HA 1 104 PHE QE . . 4.360 3.635 2.915 4.102 . 0 0 "[ . 1 . 2]" 1
1697 1 54 ILE H 1 93 LEU HA . . 4.970 4.380 4.067 4.758 . 0 0 "[ . 1 . 2]" 1
1698 1 55 LEU HA 1 93 LEU HB2 . . 4.630 2.861 2.582 3.057 . 0 0 "[ . 1 . 2]" 1
1699 1 21 PRO HB3 1 93 LEU HG . . 5.110 3.763 3.442 4.048 . 0 0 "[ . 1 . 2]" 1
1700 1 55 LEU HA 1 93 LEU HG . . 5.000 4.742 4.641 4.919 . 0 0 "[ . 1 . 2]" 1
1701 1 53 TYR QD 1 93 LEU HG . . 4.790 2.862 2.270 3.219 . 0 0 "[ . 1 . 2]" 1
1702 1 93 LEU H 1 93 LEU HG . . 4.840 2.713 2.358 3.120 . 0 0 "[ . 1 . 2]" 1
1703 1 40 TRP HZ2 1 93 LEU QD . . 4.330 2.552 2.387 2.650 . 0 0 "[ . 1 . 2]" 1
1704 1 55 LEU HA 1 93 LEU QD . . 4.600 3.372 3.269 3.513 . 0 0 "[ . 1 . 2]" 1
1705 1 53 TYR HB2 1 93 LEU QD . . 4.720 3.156 2.844 3.603 . 0 0 "[ . 1 . 2]" 1
1706 1 21 PRO HB3 1 93 LEU QD . . 4.450 3.407 3.008 3.625 . 0 0 "[ . 1 . 2]" 1
1707 1 93 LEU QD 1 105 SER HB3 . . 4.700 4.244 3.761 4.521 . 0 0 "[ . 1 . 2]" 1
1708 1 93 LEU QD 1 105 SER HB2 . . 4.780 4.499 4.147 4.703 . 0 0 "[ . 1 . 2]" 1
1709 1 92 ARG HA 1 93 LEU QD . . 4.330 3.124 2.936 3.279 . 0 0 "[ . 1 . 2]" 1
1710 1 93 LEU QD 1 105 SER HG . . 4.580 3.100 2.742 3.550 . 0 0 "[ . 1 . 2]" 1
1711 1 94 CYS HB2 1 104 PHE QD . . 5.020 3.827 3.551 4.212 . 0 0 "[ . 1 . 2]" 1
1712 1 94 CYS HB2 1 95 ALA H . . 4.320 2.272 2.204 2.451 . 0 0 "[ . 1 . 2]" 1
1713 1 94 CYS HB3 1 95 ALA H . . 4.460 3.693 3.530 3.820 . 0 0 "[ . 1 . 2]" 1
1714 1 53 TYR QD 1 95 ALA HA . . 4.630 3.409 3.007 3.704 . 0 0 "[ . 1 . 2]" 1
1715 1 21 PRO HD3 1 95 ALA HA . . 4.940 4.953 4.797 5.057 0.117 4 0 "[ . 1 . 2]" 1
1716 1 95 ALA MB 1 102 GLY H . . 4.340 3.790 3.540 3.975 . 0 0 "[ . 1 . 2]" 1
1717 1 50 LEU HA 1 95 ALA MB . . 4.880 4.755 4.518 4.901 0.021 17 0 "[ . 1 . 2]" 1
1718 1 94 CYS HB2 1 95 ALA MB . . 4.740 4.160 4.065 4.262 . 0 0 "[ . 1 . 2]" 1
1719 1 21 PRO HB3 1 95 ALA MB . . 4.900 4.750 4.455 4.938 0.038 20 0 "[ . 1 . 2]" 1
1720 1 96 VAL HB 1 97 ASN H . . 5.320 4.222 4.057 4.420 . 0 0 "[ . 1 . 2]" 1
1721 1 51 ILE HB 1 96 VAL HB . . 4.560 4.134 3.701 4.545 . 0 0 "[ . 1 . 2]" 1
1722 1 54 ILE HB 1 96 VAL MG2 . . 4.330 3.389 3.152 3.700 . 0 0 "[ . 1 . 2]" 1
1723 1 51 ILE H 1 96 VAL MG1 . . 4.590 4.401 4.056 4.614 0.024 15 0 "[ . 1 . 2]" 1
1724 1 96 VAL MG1 1 101 LYS H . . 4.410 3.913 3.514 4.299 . 0 0 "[ . 1 . 2]" 1
1725 1 52 ARG H 1 96 VAL MG1 . . 4.370 3.627 3.064 4.051 . 0 0 "[ . 1 . 2]" 1
1726 1 51 ILE MD 1 97 ASN HA . . 4.710 3.037 2.689 3.689 . 0 0 "[ . 1 . 2]" 1
1727 1 50 LEU QD 1 97 ASN HB2 . . 4.690 3.958 3.242 4.353 . 0 0 "[ . 1 . 2]" 1
1728 1 18 PRO HG3 1 97 ASN HB2 . . 5.230 4.080 3.596 4.373 . 0 0 "[ . 1 . 2]" 1
1729 1 51 ILE H 1 97 ASN HB2 . . 5.180 4.125 3.811 4.605 . 0 0 "[ . 1 . 2]" 1
1730 1 51 ILE H 1 97 ASN HB3 . . 5.120 3.226 2.883 3.715 . 0 0 "[ . 1 . 2]" 1
1731 1 51 ILE MG 1 98 ASP HA . . 4.610 4.411 3.952 4.621 0.011 2 0 "[ . 1 . 2]" 1
1732 1 97 ASN HB2 1 98 ASP QB . . 5.060 3.650 3.374 4.465 . 0 0 "[ . 1 . 2]" 1
1733 1 98 ASP QB 1 99 VAL H . . 4.650 2.560 2.154 3.502 . 0 0 "[ . 1 . 2]" 1
1734 1 98 ASP QB 1 99 VAL QG . . 4.480 3.106 2.837 3.849 . 0 0 "[ . 1 . 2]" 1
1735 1 51 ILE MG 1 98 ASP QB . . 5.340 5.053 4.689 5.131 . 0 0 "[ . 1 . 2]" 1
1736 1 99 VAL HA 1 100 GLY HA3 . . 4.700 4.696 4.656 4.782 0.082 6 0 "[ . 1 . 2]" 1
1737 1 97 ASN HD21 1 99 VAL QG . . 4.300 2.616 2.356 2.894 . 0 0 "[ . 1 . 2]" 1
1738 1 15 ARG HB3 1 99 VAL QG . . 3.290 2.068 1.749 2.895 . 0 0 "[ . 1 . 2]" 1
1739 1 96 VAL MG1 1 100 GLY HA3 . . 4.920 4.622 4.314 4.931 0.011 3 0 "[ . 1 . 2]" 1
1740 1 100 GLY HA3 1 101 LYS HA . . 5.020 4.459 4.379 4.625 . 0 0 "[ . 1 . 2]" 1
1741 1 100 GLY HA2 1 101 LYS HB3 . . 4.930 4.949 4.627 5.315 0.385 12 0 "[ . 1 . 2]" 1
1742 1 101 LYS HB2 1 102 GLY H . . 4.640 4.095 3.771 4.478 . 0 0 "[ . 1 . 2]" 1
1743 1 101 LYS HB3 1 102 GLY H . . 4.740 4.113 3.727 4.306 . 0 0 "[ . 1 . 2]" 1
1744 1 100 GLY HA3 1 101 LYS HB2 . . 4.940 4.953 4.783 5.101 0.161 16 0 "[ . 1 . 2]" 1
1745 1 100 GLY HA3 1 101 LYS HB3 . . 5.060 4.792 4.595 5.061 0.001 3 0 "[ . 1 . 2]" 1
1746 1 101 LYS HB2 1 101 LYS QE . . 4.690 2.237 1.963 3.995 . 0 0 "[ . 1 . 2]" 1
1747 1 101 LYS HB3 1 101 LYS QE . . 4.870 2.604 2.001 3.602 . 0 0 "[ . 1 . 2]" 1
1748 1 96 VAL MG1 1 101 LYS HB2 . . 5.170 2.549 1.967 3.622 . 0 0 "[ . 1 . 2]" 1
1749 1 17 LEU QD 1 101 LYS HB2 . . 5.270 4.816 4.595 5.092 . 0 0 "[ . 1 . 2]" 1
1750 1 17 LEU QD 1 101 LYS HB3 . . 5.360 4.312 4.006 4.728 . 0 0 "[ . 1 . 2]" 1
1751 1 96 VAL MG1 1 101 LYS HB3 . . 5.230 3.957 3.347 5.000 . 0 0 "[ . 1 . 2]" 1
1752 1 101 LYS HG3 1 102 GLY H . . 4.880 2.918 2.045 4.396 . 0 0 "[ . 1 . 2]" 1
1753 1 101 LYS HG2 1 102 GLY H . . 4.850 2.583 2.221 3.798 . 0 0 "[ . 1 . 2]" 1
1754 1 101 LYS QD 1 102 GLY H . . 5.390 4.210 3.960 4.669 . 0 0 "[ . 1 . 2]" 1
1755 1 101 LYS H 1 101 LYS QE . . 4.930 4.487 4.030 4.795 . 0 0 "[ . 1 . 2]" 1
1756 1 101 LYS QE 1 104 PHE QE . . 4.460 3.761 2.573 4.170 . 0 0 "[ . 1 . 2]" 1
1757 1 96 VAL MG1 1 101 LYS QE . . 4.820 3.316 2.613 4.600 . 0 0 "[ . 1 . 2]" 1
1758 1 101 LYS QE 1 101 LYS HG2 . . 3.450 3.160 2.108 3.355 . 0 0 "[ . 1 . 2]" 1
1759 1 17 LEU HB3 1 102 GLY HA2 . . 4.670 2.547 2.000 2.925 . 0 0 "[ . 1 . 2]" 1
1760 1 18 PRO HD2 1 102 GLY HA2 . . 4.880 3.293 2.770 3.879 . 0 0 "[ . 1 . 2]" 1
1761 1 17 LEU HB3 1 102 GLY HA3 . . 4.780 3.340 2.200 3.819 . 0 0 "[ . 1 . 2]" 1
1762 1 18 PRO HD2 1 102 GLY HA3 . . 4.800 3.050 2.560 3.661 . 0 0 "[ . 1 . 2]" 1
1763 1 101 LYS HA 1 102 GLY HA3 . . 5.220 4.355 4.342 4.365 . 0 0 "[ . 1 . 2]" 1
1764 1 101 LYS HA 1 102 GLY HA2 . . 5.180 4.373 4.360 4.391 . 0 0 "[ . 1 . 2]" 1
1765 1 103 GLN HA 1 104 PHE QD . . 4.650 2.793 2.547 3.174 . 0 0 "[ . 1 . 2]" 1
1766 1 103 GLN HB2 1 104 PHE H . . 3.910 2.602 2.269 3.998 0.088 12 0 "[ . 1 . 2]" 1
1767 1 92 ARG HD3 1 104 PHE HB2 . . 4.970 4.788 2.868 5.023 0.053 5 0 "[ . 1 . 2]" 1
1768 1 103 GLN HA 1 104 PHE HB2 . . 4.800 4.609 4.412 4.689 . 0 0 "[ . 1 . 2]" 1
1769 1 92 ARG HE 1 104 PHE QD . . 5.220 3.844 3.281 5.192 . 0 0 "[ . 1 . 2]" 1
1770 1 94 CYS HB3 1 104 PHE QD . . 4.810 2.806 2.625 3.052 . 0 0 "[ . 1 . 2]" 1
1771 1 92 ARG HG3 1 104 PHE QD . . 4.540 3.495 3.296 3.776 . 0 0 "[ . 1 . 2]" 1
1772 1 104 PHE H 1 104 PHE QE . . 5.060 4.410 4.178 4.757 . 0 0 "[ . 1 . 2]" 1
1773 1 104 PHE HA 1 104 PHE QE . . 5.030 4.768 4.687 4.817 . 0 0 "[ . 1 . 2]" 1
1774 1 101 LYS QD 1 104 PHE QE . . 5.240 2.431 1.945 3.573 . 0 0 "[ . 1 . 2]" 1
1775 1 92 ARG HG3 1 104 PHE QE . . 5.210 4.888 4.530 5.105 . 0 0 "[ . 1 . 2]" 1
1776 1 21 PRO HB2 1 105 SER HB2 . . 4.890 4.446 4.207 4.713 . 0 0 "[ . 1 . 2]" 1
1777 1 20 ALA MB 1 105 SER HB2 . . 4.600 4.236 4.108 4.384 . 0 0 "[ . 1 . 2]" 1
1778 1 21 PRO HB2 1 105 SER HB3 . . 4.670 3.367 3.152 3.633 . 0 0 "[ . 1 . 2]" 1
1779 1 24 PRO HG3 1 105 SER HB3 . . 4.680 3.202 3.100 3.272 . 0 0 "[ . 1 . 2]" 1
1780 1 93 LEU H 1 105 SER HB3 . . 4.630 4.500 4.255 4.650 0.020 6 0 "[ . 1 . 2]" 1
1781 1 106 LYS HA 1 107 ASP HB3 . . 4.840 4.895 4.665 5.821 0.981 12 2 "[ - . 1 + . 2]" 1
1782 1 106 LYS HA 1 106 LYS HG3 . . 4.210 3.318 2.335 4.193 . 0 0 "[ . 1 . 2]" 1
1783 1 106 LYS HG2 1 107 ASP H . . 4.740 4.344 3.132 4.753 0.013 5 0 "[ . 1 . 2]" 1
1784 1 106 LYS HG3 1 107 ASP H . . 4.660 4.376 3.139 4.784 0.124 10 0 "[ . 1 . 2]" 1
1785 1 106 LYS QD 1 107 ASP H . . 4.670 3.158 2.289 4.502 . 0 0 "[ . 1 . 2]" 1
1786 1 106 LYS H 1 106 LYS QD . . 4.570 3.595 2.079 4.327 . 0 0 "[ . 1 . 2]" 1
1787 1 106 LYS HA 1 106 LYS HE3 . . 5.500 4.551 2.564 5.386 . 0 0 "[ . 1 . 2]" 1
1788 1 64 TRP HH2 1 107 ASP HA . . 4.650 3.139 2.819 3.644 . 0 0 "[ . 1 . 2]" 1
1789 1 106 LYS HA 1 107 ASP HA . . 4.560 4.233 4.224 4.249 . 0 0 "[ . 1 . 2]" 1
1790 1 92 ARG HB2 1 107 ASP HA . . 4.450 4.425 4.120 4.529 0.079 15 0 "[ . 1 . 2]" 1
1791 1 64 TRP HH2 1 107 ASP HB3 . . 4.360 2.400 2.013 3.150 . 0 0 "[ . 1 . 2]" 1
1792 1 64 TRP HH2 1 107 ASP HB2 . . 4.650 3.201 2.739 3.997 . 0 0 "[ . 1 . 2]" 1
1793 1 64 TRP HZ2 1 107 ASP HB2 . . 4.700 4.589 4.065 4.729 0.029 18 0 "[ . 1 . 2]" 1
1794 1 64 TRP HZ2 1 107 ASP HB3 . . 4.480 3.213 2.704 4.217 . 0 0 "[ . 1 . 2]" 1
1795 1 90 GLN HB3 1 107 ASP HB3 . . 4.760 3.853 2.423 4.306 . 0 0 "[ . 1 . 2]" 1
1796 1 90 GLN HB3 1 107 ASP HB2 . . 4.830 3.573 3.068 4.212 . 0 0 "[ . 1 . 2]" 1
1797 1 90 GLN HB2 1 107 ASP HB2 . . 4.970 4.761 4.318 5.556 0.586 3 2 "[ + . 1 - . 2]" 1
1798 1 90 GLN HB2 1 107 ASP HB3 . . 5.500 5.103 3.843 5.520 0.020 11 0 "[ . 1 . 2]" 1
1799 1 26 ALA MB 1 108 THR HA . . 4.660 4.158 3.859 4.559 . 0 0 "[ . 1 . 2]" 1
1800 1 26 ALA H 1 108 THR HA . . 4.830 4.865 4.716 4.946 0.116 15 0 "[ . 1 . 2]" 1
1801 1 26 ALA H 1 108 THR HB . . 4.470 3.099 2.785 3.387 . 0 0 "[ . 1 . 2]" 1
1802 1 91 PHE HB3 1 108 THR MG . . 4.210 3.294 2.800 3.702 . 0 0 "[ . 1 . 2]" 1
1803 1 25 VAL H 1 108 THR MG . . 4.450 3.906 3.432 4.232 . 0 0 "[ . 1 . 2]" 1
1804 1 109 GLU HG2 1 110 ARG H . . 4.660 3.456 3.001 4.186 . 0 0 "[ . 1 . 2]" 1
1805 1 109 GLU HG3 1 110 ARG H . . 4.580 4.051 2.783 4.548 . 0 0 "[ . 1 . 2]" 1
1806 1 110 ARG HA 1 111 VAL QG . . 4.800 3.741 3.393 4.086 . 0 0 "[ . 1 . 2]" 1
1807 1 90 GLN HE21 1 110 ARG HA . . 5.090 3.264 2.701 3.719 . 0 0 "[ . 1 . 2]" 1
1808 1 110 ARG HB2 1 111 VAL H . . 4.620 4.692 4.611 4.729 0.109 2 0 "[ . 1 . 2]" 1
1809 1 90 GLN HG2 1 110 ARG QG . . 4.900 3.908 2.858 4.375 . 0 0 "[ . 1 . 2]" 1
1810 1 90 GLN HG3 1 110 ARG QG . . 4.440 3.245 2.682 3.622 . 0 0 "[ . 1 . 2]" 1
1811 1 110 ARG HA 1 110 ARG HD2 . . 4.840 4.451 4.338 4.581 . 0 0 "[ . 1 . 2]" 1
1812 1 111 VAL HA 1 112 SER HA . . 5.010 4.341 4.330 4.357 . 0 0 "[ . 1 . 2]" 1
1813 1 89 TYR H 1 111 VAL HB . . 5.270 3.691 3.204 5.007 . 0 0 "[ . 1 . 2]" 1
1814 1 91 PHE QE 1 111 VAL HB . . 5.230 3.978 3.002 5.251 0.021 2 0 "[ . 1 . 2]" 1
1815 1 110 ARG HA 1 111 VAL HB . . 5.050 4.690 4.460 4.836 . 0 0 "[ . 1 . 2]" 1
1816 1 89 TYR HB2 1 111 VAL HB . . 4.700 3.420 2.744 4.779 0.079 2 0 "[ . 1 . 2]" 1
1817 1 89 TYR QD 1 111 VAL QG . . 4.690 4.144 3.202 4.469 . 0 0 "[ . 1 . 2]" 1
1818 1 111 VAL QG 1 112 SER HA . . 4.550 3.891 3.490 4.146 . 0 0 "[ . 1 . 2]" 1
1819 1 89 TYR HB2 1 111 VAL QG . . 4.420 3.258 1.977 3.720 . 0 0 "[ . 1 . 2]" 1
1820 1 89 TYR H 1 112 SER HA . . 3.870 3.230 2.690 3.509 . 0 0 "[ . 1 . 2]" 1
1821 1 89 TYR QD 1 112 SER HA . . 4.760 3.941 3.543 4.374 . 0 0 "[ . 1 . 2]" 1
1822 1 112 SER HA 1 113 LEU HB2 . . 4.820 4.113 4.082 4.181 . 0 0 "[ . 1 . 2]" 1
1823 1 87 ARG H 1 113 LEU HB3 . . 4.990 2.943 2.572 3.167 . 0 0 "[ . 1 . 2]" 1
1824 1 89 TYR QE 1 113 LEU HB3 . . 4.770 3.773 3.313 4.116 . 0 0 "[ . 1 . 2]" 1
1825 1 85 PRO HB2 1 113 LEU HB3 . . 4.980 4.554 4.494 4.626 . 0 0 "[ . 1 . 2]" 1
1826 1 89 TYR QD 1 113 LEU HB2 . . 4.680 2.705 2.279 3.174 . 0 0 "[ . 1 . 2]" 1
1827 1 113 LEU HB2 1 114 PRO HD3 . . 4.800 4.459 4.345 4.609 . 0 0 "[ . 1 . 2]" 1
1828 1 113 LEU HB2 1 114 PRO HD2 . . 4.890 4.082 3.925 4.344 . 0 0 "[ . 1 . 2]" 1
1829 1 112 SER HA 1 113 LEU HB3 . . 5.360 5.344 5.284 5.511 0.151 4 0 "[ . 1 . 2]" 1
1830 1 28 LEU QD 1 113 LEU HB3 . . 5.390 4.066 3.604 4.297 . 0 0 "[ . 1 . 2]" 1
1831 1 28 LEU QD 1 113 LEU HB2 . . 5.200 3.930 3.201 4.251 . 0 0 "[ . 1 . 2]" 1
1832 1 28 LEU QD 1 113 LEU HG . . 4.390 2.557 1.749 4.071 . 0 0 "[ . 1 . 2]" 1
1833 1 85 PRO HA 1 113 LEU HG . . 4.440 4.150 3.589 4.370 . 0 0 "[ . 1 . 2]" 1
1834 1 89 TYR QD 1 113 LEU HG . . 4.620 4.279 2.890 4.717 0.097 6 0 "[ . 1 . 2]" 1
1835 1 86 ALA H 1 113 LEU HG . . 4.960 4.978 4.777 5.046 0.086 9 0 "[ . 1 . 2]" 1
1836 1 34 ARG H 1 113 LEU QD . . 4.420 3.070 2.706 3.566 . 0 0 "[ . 1 . 2]" 1
1837 1 84 VAL H 1 113 LEU QD . . 4.410 3.341 2.925 3.773 . 0 0 "[ . 1 . 2]" 1
1838 1 85 PRO HB2 1 113 LEU QD . . 4.260 4.015 3.821 4.190 . 0 0 "[ . 1 . 2]" 1
1839 1 84 VAL HA 1 113 LEU QD . . 4.740 3.673 3.178 3.966 . 0 0 "[ . 1 . 2]" 1
1840 1 83 LEU HA 1 113 LEU QD . . 4.370 3.891 3.715 4.094 . 0 0 "[ . 1 . 2]" 1
1841 1 34 ARG HG2 1 113 LEU QD . . 3.530 2.780 2.001 3.497 . 0 0 "[ . 1 . 2]" 1
1842 1 83 LEU HB2 1 113 LEU QD . . 3.320 2.171 1.894 2.591 . 0 0 "[ . 1 . 2]" 1
1843 1 83 LEU HB3 1 113 LEU QD . . 3.140 2.018 1.757 2.332 . 0 0 "[ . 1 . 2]" 1
1844 1 28 LEU QD 1 113 LEU QD . . 3.250 2.076 1.659 2.415 . 0 0 "[ . 1 . 2]" 1
1845 1 112 SER HA 1 113 LEU QD . . 4.650 4.407 3.993 4.633 . 0 0 "[ . 1 . 2]" 1
1846 1 89 TYR HB2 1 113 LEU QD . . 4.320 3.627 3.334 3.986 . 0 0 "[ . 1 . 2]" 1
1847 1 113 LEU HG 1 114 PRO HD3 . . 4.450 3.017 2.259 4.849 0.399 11 0 "[ . 1 . 2]" 1
1848 1 113 LEU HB3 1 114 PRO HD3 . . 4.510 3.905 3.730 4.233 . 0 0 "[ . 1 . 2]" 1
1849 1 86 ALA H 1 115 GLU HA . . 4.440 2.937 2.613 3.252 . 0 0 "[ . 1 . 2]" 1
1850 1 114 PRO HA 1 115 GLU HB2 . . 4.770 4.308 4.133 5.572 0.802 3 1 "[ + . 1 . 2]" 1
1851 1 114 PRO HA 1 115 GLU HB3 . . 5.150 5.028 4.877 5.189 0.039 4 0 "[ . 1 . 2]" 1
1852 1 86 ALA HA 1 115 GLU HG3 . . 4.870 4.276 2.730 5.526 0.656 20 1 "[ . 1 . +]" 1
1853 1 86 ALA H 1 115 GLU HG3 . . 5.240 4.851 4.013 6.090 0.850 20 2 "[ . - . +]" 1
1854 1 85 PRO HB2 1 116 SER HB2 . . 4.430 3.371 2.092 4.755 0.325 13 0 "[ . 1 . 2]" 1
1855 1 117 GLY HA2 1 118 PRO HG3 . . 5.260 4.469 4.198 5.125 . 0 0 "[ . 1 . 2]" 1
1856 1 117 GLY HA3 1 118 PRO HG2 . . 5.350 4.830 4.364 5.291 . 0 0 "[ . 1 . 2]" 1
1857 1 36 ILE H 1 81 LYS HA . . 4.210 4.088 3.770 4.245 0.035 1 0 "[ . 1 . 2]" 1
1858 1 57 MET H 1 64 TRP HE3 . . 4.570 4.063 3.382 4.511 . 0 0 "[ . 1 . 2]" 1
1859 1 64 TRP HE3 1 92 ARG HG2 . . 5.150 3.143 2.760 3.590 . 0 0 "[ . 1 . 2]" 1
1860 1 58 SER H 1 64 TRP HE3 . . 4.910 3.703 3.250 3.930 . 0 0 "[ . 1 . 2]" 1
1861 1 13 ARG HB2 1 47 ASN HD22 . . 5.500 4.555 3.208 5.354 . 0 0 "[ . 1 . 2]" 1
1862 1 13 ARG HB3 1 47 ASN HD22 . . 5.400 3.117 2.121 4.002 . 0 0 "[ . 1 . 2]" 1
1863 1 13 ARG HB2 1 47 ASN HB3 . . 5.020 4.620 3.633 5.722 0.702 5 1 "[ + 1 . 2]" 1
1864 1 13 ARG HB3 1 47 ASN HB3 . . 4.840 3.166 2.095 4.257 . 0 0 "[ . 1 . 2]" 1
1865 1 13 ARG HG3 1 47 ASN HD22 . . 5.500 3.860 1.944 5.024 . 0 0 "[ . 1 . 2]" 1
1866 1 13 ARG HG3 1 47 ASN HD21 . . 5.500 4.877 3.341 5.893 0.393 13 0 "[ . 1 . 2]" 1
1867 1 13 ARG HA 1 14 VAL HB . . 5.250 4.355 4.154 5.579 0.329 19 0 "[ . 1 . 2]" 1
1868 1 14 VAL QG 1 16 GLN HE21 . . 4.330 2.192 1.871 2.570 . 0 0 "[ . 1 . 2]" 1
1869 1 14 VAL QG 1 47 ASN HD21 . . 4.670 2.611 1.946 3.723 . 0 0 "[ . 1 . 2]" 1
1870 1 57 MET ME 1 65 THR HB . . 4.390 4.420 4.204 4.489 0.099 8 0 "[ . 1 . 2]" 1
1871 1 58 SER H 1 90 GLN HB2 . . 4.740 2.844 2.242 3.227 . 0 0 "[ . 1 . 2]" 1
1872 1 90 GLN HB2 1 91 PHE H . . 4.720 4.111 3.865 4.502 . 0 0 "[ . 1 . 2]" 1
1873 1 90 GLN HB3 1 90 GLN HE21 . . 4.710 4.181 3.670 4.342 . 0 0 "[ . 1 . 2]" 1
1874 1 64 TRP HH2 1 90 GLN HB3 . . 4.460 2.541 1.985 2.945 . 0 0 "[ . 1 . 2]" 1
1875 1 64 TRP HH2 1 90 GLN HG3 . . 5.030 4.870 3.888 5.050 0.020 16 0 "[ . 1 . 2]" 1
1876 1 64 TRP HH2 1 90 GLN HG2 . . 5.130 4.349 4.082 5.046 . 0 0 "[ . 1 . 2]" 1
1877 1 90 GLN H 1 90 GLN HG2 . . 5.130 4.243 3.690 4.548 . 0 0 "[ . 1 . 2]" 1
1878 1 90 GLN HG2 1 91 PHE H . . 4.900 3.543 3.127 4.173 . 0 0 "[ . 1 . 2]" 1
1879 1 90 GLN HG3 1 91 PHE H . . 5.150 4.645 4.402 5.027 . 0 0 "[ . 1 . 2]" 1
1880 1 90 GLN HG2 1 107 ASP HB3 . . 5.090 4.349 2.740 5.805 0.715 11 1 "[ . 1+ . 2]" 1
1881 1 44 PHE HZ 1 46 GLY HA2 . . 5.300 4.294 2.250 4.911 . 0 0 "[ . 1 . 2]" 1
1882 1 116 SER HB3 1 117 GLY H . . 4.780 3.690 2.006 4.675 . 0 0 "[ . 1 . 2]" 1
1883 1 57 MET H 1 64 TRP HB3 . . 5.500 4.982 4.605 5.287 . 0 0 "[ . 1 . 2]" 1
1884 1 18 PRO HG3 1 97 ASN H . . 4.270 3.441 3.012 3.823 . 0 0 "[ . 1 . 2]" 1
1885 1 18 PRO HG3 1 97 ASN HD21 . . 4.650 3.163 3.087 3.250 . 0 0 "[ . 1 . 2]" 1
1886 1 18 PRO HG3 1 97 ASN HD22 . . 4.640 2.842 2.330 3.675 . 0 0 "[ . 1 . 2]" 1
1887 1 18 PRO HG2 1 97 ASN HD22 . . 5.120 4.216 3.772 4.863 . 0 0 "[ . 1 . 2]" 1
1888 1 18 PRO HG3 1 96 VAL HA . . 4.550 3.857 3.512 4.191 . 0 0 "[ . 1 . 2]" 1
1889 1 17 LEU HA 1 18 PRO HG3 . . 4.290 4.204 4.183 4.225 . 0 0 "[ . 1 . 2]" 1
1890 1 18 PRO HG3 1 97 ASN HB3 . . 4.860 2.934 2.068 3.559 . 0 0 "[ . 1 . 2]" 1
1891 1 17 LEU QD 1 18 PRO HG3 . . 5.180 4.270 3.976 4.961 . 0 0 "[ . 1 . 2]" 1
1892 1 14 VAL QG 1 15 ARG HA . . 5.130 3.824 3.612 4.542 . 0 0 "[ . 1 . 2]" 1
1893 1 17 LEU QD 1 99 VAL HB . . 3.270 2.750 1.946 3.291 0.021 5 0 "[ . 1 . 2]" 1
1894 1 88 SER HA 1 113 LEU H . . 4.140 3.452 3.149 3.683 . 0 0 "[ . 1 . 2]" 1
1895 1 107 ASP HA 1 108 THR MG . . 4.250 3.827 3.575 3.984 . 0 0 "[ . 1 . 2]" 1
1896 1 25 VAL HA 1 108 THR MG . . 3.900 3.551 3.020 3.789 . 0 0 "[ . 1 . 2]" 1
1897 1 84 VAL H 1 89 TYR QE . . 4.530 2.163 1.922 2.699 . 0 0 "[ . 1 . 2]" 1
1898 1 87 ARG HB3 1 89 TYR QE . . 4.600 3.466 2.801 3.896 . 0 0 "[ . 1 . 2]" 1
1899 1 83 LEU HB3 1 89 TYR QE . . 4.710 2.534 2.147 3.399 . 0 0 "[ . 1 . 2]" 1
1900 1 90 GLN HA 1 91 PHE QD . . 4.550 4.142 3.532 4.551 0.001 1 0 "[ . 1 . 2]" 1
1901 1 90 GLN HA 1 108 THR H . . 4.890 4.676 4.262 4.925 0.035 15 0 "[ . 1 . 2]" 1
1902 1 64 TRP HZ2 1 92 ARG HD2 . . 5.000 4.579 4.270 5.021 0.021 12 0 "[ . 1 . 2]" 1
1903 1 64 TRP HZ2 1 92 ARG HD3 . . 5.080 3.337 2.810 5.273 0.193 20 0 "[ . 1 . 2]" 1
1904 1 21 PRO HG3 1 53 TYR QD . . 4.980 3.285 2.957 3.797 . 0 0 "[ . 1 . 2]" 1
1905 1 63 PRO HA 1 64 TRP HD1 . . 4.890 4.906 4.789 5.070 0.180 20 0 "[ . 1 . 2]" 1
1906 1 64 TRP HD1 1 92 ARG QH2 . . 5.380 3.391 2.798 4.130 . 0 0 "[ . 1 . 2]" 1
1907 1 64 TRP HE3 1 92 ARG HE . . 5.190 3.098 2.659 4.729 . 0 0 "[ . 1 . 2]" 1
1908 1 58 SER HB2 1 64 TRP HZ3 . . 5.500 3.287 2.909 4.041 . 0 0 "[ . 1 . 2]" 1
1909 1 64 TRP HZ3 1 92 ARG HG3 . . 5.410 3.679 3.370 3.996 . 0 0 "[ . 1 . 2]" 1
1910 1 40 TRP HD1 1 93 LEU QD . . 5.500 3.743 3.380 4.126 . 0 0 "[ . 1 . 2]" 1
1911 1 40 TRP HE3 1 93 LEU QD . . 5.350 2.851 2.594 3.041 . 0 0 "[ . 1 . 2]" 1
1912 1 19 HIS H 1 45 ASP HA . . 5.340 4.086 3.358 5.385 0.045 1 0 "[ . 1 . 2]" 1
1913 1 46 GLY HA3 1 97 ASN HD22 . . 4.640 3.957 3.406 4.395 . 0 0 "[ . 1 . 2]" 1
1914 1 46 GLY HA3 1 97 ASN HD21 . . 4.850 4.538 3.666 4.863 0.013 20 0 "[ . 1 . 2]" 1
1915 1 17 LEU HA 1 97 ASN H . . 5.490 5.450 5.122 5.569 0.079 18 0 "[ . 1 . 2]" 1
1916 1 29 SER HA 1 35 ALA MB . . 5.090 4.512 4.208 5.066 . 0 0 "[ . 1 . 2]" 1
1917 1 29 SER HA 1 31 VAL H . . 4.830 3.776 3.187 4.891 0.061 9 0 "[ . 1 . 2]" 1
1918 1 52 ARG HD2 1 53 TYR H . . 5.180 4.579 3.914 5.029 . 0 0 "[ . 1 . 2]" 1
1919 1 52 ARG H 1 52 ARG HD2 . . 5.350 5.286 5.161 5.368 0.018 11 0 "[ . 1 . 2]" 1
1920 1 52 ARG HD3 1 53 TYR H . . 5.190 3.967 3.408 4.424 . 0 0 "[ . 1 . 2]" 1
1921 1 58 SER HA 1 59 GLU HB2 . . 4.430 4.429 4.268 4.928 0.498 13 0 "[ . 1 . 2]" 1
1922 1 79 THR HB 1 81 LYS HG3 . . 5.500 4.091 3.534 4.666 . 0 0 "[ . 1 . 2]" 1
1923 1 24 PRO HG2 1 105 SER HB3 . . 4.720 4.791 4.727 4.858 0.138 14 0 "[ . 1 . 2]" 1
1924 1 24 PRO HG2 1 105 SER HB2 . . 4.350 3.331 3.208 3.465 . 0 0 "[ . 1 . 2]" 1
1925 1 46 GLY HA2 1 48 SER H . . 5.500 4.887 4.095 5.318 . 0 0 "[ . 1 . 2]" 1
1926 1 46 GLY HA3 1 48 SER H . . 5.390 4.056 3.648 4.532 . 0 0 "[ . 1 . 2]" 1
1927 1 44 PHE QD 1 46 GLY HA3 . . 5.500 4.669 4.408 5.090 . 0 0 "[ . 1 . 2]" 1
1928 1 38 LEU HB3 1 93 LEU QD . . 5.120 3.897 3.634 4.327 . 0 0 "[ . 1 . 2]" 1
1929 1 38 LEU HB3 1 78 VAL HB . . 5.350 4.076 3.821 4.441 . 0 0 "[ . 1 . 2]" 1
1930 1 38 LEU HB3 1 77 SER HA . . 4.880 3.716 3.387 4.176 . 0 0 "[ . 1 . 2]" 1
1931 1 38 LEU HB3 1 39 THR HA . . 5.180 4.454 4.320 4.630 . 0 0 "[ . 1 . 2]" 1
1932 1 84 VAL HA 1 85 PRO HG3 . . 4.500 4.191 4.181 4.205 . 0 0 "[ . 1 . 2]" 1
1933 1 84 VAL MG1 1 85 PRO HG2 . . 5.350 3.590 3.437 3.795 . 0 0 "[ . 1 . 2]" 1
1934 1 108 THR HB 1 109 GLU HB2 . . 5.110 4.532 4.136 5.331 0.221 5 0 "[ . 1 . 2]" 1
1935 1 108 THR HB 1 109 GLU HB3 . . 5.280 4.880 3.973 5.262 . 0 0 "[ . 1 . 2]" 1
1936 1 35 ALA MB 1 79 THR HB . . 4.760 4.752 4.613 4.797 0.037 20 0 "[ . 1 . 2]" 1
1937 1 33 ARG HA 1 35 ALA MB . . 4.580 4.358 4.122 4.735 0.155 9 0 "[ . 1 . 2]" 1
1938 1 32 GLU HA 1 35 ALA MB . . 4.900 4.090 3.779 4.522 . 0 0 "[ . 1 . 2]" 1
1939 1 27 THR MG 1 37 ASN HB3 . . 5.420 5.345 5.094 5.492 0.072 6 0 "[ . 1 . 2]" 1
1940 1 36 ILE MG 1 37 ASN HB3 . . 5.430 4.527 4.240 4.915 . 0 0 "[ . 1 . 2]" 1
1941 1 36 ILE MG 1 37 ASN HB2 . . 5.330 4.087 3.926 4.341 . 0 0 "[ . 1 . 2]" 1
1942 1 42 LYS HE2 1 45 ASP H . . 5.500 4.461 3.049 6.259 0.759 17 1 "[ . 1 . + 2]" 1
1943 1 51 ILE HG13 1 98 ASP H . . 5.330 2.409 2.053 2.946 . 0 0 "[ . 1 . 2]" 1
1944 1 97 ASN HD22 1 99 VAL HB . . 4.960 3.611 1.955 4.991 0.031 5 0 "[ . 1 . 2]" 1
1945 1 96 VAL MG2 1 101 LYS H . . 4.730 4.550 3.838 4.785 0.055 16 0 "[ . 1 . 2]" 1
1946 1 15 ARG HG3 1 48 SER HB2 . . 5.140 4.505 3.652 4.740 . 0 0 "[ . 1 . 2]" 1
1947 1 13 ARG HG2 1 47 ASN HD22 . . 5.500 3.732 2.192 4.816 . 0 0 "[ . 1 . 2]" 1
1948 1 24 PRO HB2 1 93 LEU QD . . 4.970 4.705 4.443 4.884 . 0 0 "[ . 1 . 2]" 1
1949 1 24 PRO HB3 1 93 LEU QD . . 5.250 3.912 3.683 4.101 . 0 0 "[ . 1 . 2]" 1
1950 1 85 PRO HB2 1 116 SER HA . . 5.050 4.362 3.473 5.094 0.044 4 0 "[ . 1 . 2]" 1
1951 1 84 VAL MG1 1 85 PRO HB2 . . 5.490 4.431 4.298 4.614 . 0 0 "[ . 1 . 2]" 1
1952 1 85 PRO HG3 1 113 LEU QD . . 5.250 4.123 3.907 4.337 . 0 0 "[ . 1 . 2]" 1
1953 1 85 PRO HG3 1 116 SER HB3 . . 4.770 3.100 1.994 4.129 . 0 0 "[ . 1 . 2]" 1
1954 1 24 PRO HG2 1 106 LYS H . . 5.120 3.790 3.575 4.228 . 0 0 "[ . 1 . 2]" 1
1955 1 68 LEU MD2 1 70 SER H . . 4.770 2.711 2.226 3.425 . 0 0 "[ . 1 . 2]" 1
1956 1 68 LEU MD2 1 71 VAL HB . . 4.460 4.333 3.968 4.473 0.013 16 0 "[ . 1 . 2]" 1
1957 1 54 ILE HA 1 71 VAL MG2 . . 4.670 3.705 3.375 4.126 . 0 0 "[ . 1 . 2]" 1
1958 1 74 LYS HB2 1 74 LYS QE . . 3.930 2.545 1.942 3.853 . 0 0 "[ . 1 . 2]" 1
1959 1 38 LEU QD 1 108 THR MG . . 3.310 2.193 1.735 2.590 . 0 0 "[ . 1 . 2]" 1
1960 1 26 ALA MB 1 38 LEU QD . . 3.120 1.684 1.614 1.775 . 0 0 "[ . 1 . 2]" 1
1961 1 26 ALA HA 1 38 LEU HG . . 4.990 4.484 3.396 5.078 0.088 12 0 "[ . 1 . 2]" 1
1962 1 55 LEU QD 1 93 LEU HB3 . . 3.310 2.331 1.939 2.697 . 0 0 "[ . 1 . 2]" 1
1963 1 38 LEU HG 1 78 VAL MG1 . . 4.120 3.452 2.892 4.178 0.058 13 0 "[ . 1 . 2]" 1
1964 1 77 SER H 1 78 VAL HB . . 5.480 4.603 4.404 4.770 . 0 0 "[ . 1 . 2]" 1
1965 1 78 VAL HB 1 80 VAL QG . . 5.500 5.130 4.990 5.271 . 0 0 "[ . 1 . 2]" 1
1966 1 78 VAL MG2 1 80 VAL QG . . 3.330 3.279 3.160 3.360 0.030 9 0 "[ . 1 . 2]" 1
1967 1 78 VAL MG2 1 93 LEU QD . . 5.210 4.463 4.203 4.812 . 0 0 "[ . 1 . 2]" 1
1968 1 60 ASN HA 1 60 ASN HD22 . . 5.230 4.210 3.311 4.532 . 0 0 "[ . 1 . 2]" 1
1969 1 55 LEU HB2 1 93 LEU QD . . 5.280 2.830 2.427 3.672 . 0 0 "[ . 1 . 2]" 1
1970 1 27 THR HB 1 37 ASN H . . 5.030 4.624 4.441 4.816 . 0 0 "[ . 1 . 2]" 1
1971 1 37 ASN HA 1 80 VAL H . . 4.090 4.036 3.626 4.172 0.082 18 0 "[ . 1 . 2]" 1
1972 1 57 MET H 1 64 TRP HA . . 4.860 4.293 3.937 4.643 . 0 0 "[ . 1 . 2]" 1
1973 1 55 LEU QD 1 92 ARG HA . . 4.850 3.581 3.317 3.871 . 0 0 "[ . 1 . 2]" 1
1974 1 56 GLU H 1 91 PHE HA . . 5.200 4.667 4.409 4.984 . 0 0 "[ . 1 . 2]" 1
1975 1 58 SER H 1 91 PHE HA . . 4.420 3.780 3.451 4.041 . 0 0 "[ . 1 . 2]" 1
1976 1 91 PHE HA 1 91 PHE QE . . 5.380 4.451 4.284 4.623 . 0 0 "[ . 1 . 2]" 1
1977 1 64 TRP HE3 1 91 PHE HA . . 5.020 4.712 4.152 4.955 . 0 0 "[ . 1 . 2]" 1
1978 1 91 PHE HA 1 92 ARG HG2 . . 5.070 3.731 3.439 4.128 . 0 0 "[ . 1 . 2]" 1
1979 1 93 LEU H 1 104 PHE HA . . 5.020 4.812 4.397 5.067 0.047 5 0 "[ . 1 . 2]" 1
1980 1 24 PRO HA 1 40 TRP H . . 5.330 5.006 4.775 5.171 . 0 0 "[ . 1 . 2]" 1
1981 1 93 LEU HA 1 93 LEU HG . . 4.130 3.695 3.676 3.731 . 0 0 "[ . 1 . 2]" 1
1982 1 55 LEU QD 1 68 LEU HB3 . . 3.870 3.619 3.270 3.836 . 0 0 "[ . 1 . 2]" 1
1983 1 55 LEU QD 1 68 LEU HB2 . . 3.550 2.592 2.225 3.092 . 0 0 "[ . 1 . 2]" 1
1984 1 55 LEU QD 1 68 LEU HG . . 4.730 4.427 3.886 4.693 . 0 0 "[ . 1 . 2]" 1
1985 1 68 LEU HG 1 71 VAL MG2 . . 4.450 3.770 3.487 3.900 . 0 0 "[ . 1 . 2]" 1
1986 1 20 ALA MB 1 104 PHE HA . . 4.170 2.957 2.467 3.367 . 0 0 "[ . 1 . 2]" 1
1987 1 54 ILE MG 1 68 LEU H . . 4.780 4.577 4.201 4.761 . 0 0 "[ . 1 . 2]" 1
1988 1 54 ILE MG 1 104 PHE QE . . 4.520 2.792 2.183 3.497 . 0 0 "[ . 1 . 2]" 1
1989 1 38 LEU HB3 1 40 TRP HH2 . . 4.660 4.357 4.100 4.711 0.051 15 0 "[ . 1 . 2]" 1
1990 1 26 ALA HA 1 38 LEU HB2 . . 4.870 4.407 3.475 4.879 0.009 2 0 "[ . 1 . 2]" 1
1991 1 38 LEU HA 1 78 VAL H . . 5.090 4.341 4.119 4.474 . 0 0 "[ . 1 . 2]" 1
1992 1 92 ARG HA 1 107 ASP HA . . 4.630 4.537 4.348 4.675 0.045 14 0 "[ . 1 . 2]" 1
1993 1 56 GLU QG 1 104 PHE HZ . . 4.770 4.380 3.465 4.670 . 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 2
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 204.979
_Distance_constraint_stats_list.Viol_max 0.316
_Distance_constraint_stats_list.Viol_rms 0.0442
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2562
_Distance_constraint_stats_list.Viol_average_violations_only 0.2562
_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 56 GLU 10.249 0.316 12 0 "[ . 1 . 2]"
1 92 ARG 10.249 0.316 12 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 56 GLU H 1 92 ARG O . . 1.800 2.015 2.006 2.027 0.227 4 0 "[ . 1 . 2]" 2
2 1 56 GLU N 1 92 ARG O . . 2.700 2.998 2.955 3.016 0.316 12 0 "[ . 1 . 2]" 2
stop_
save_
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