NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402623 |
1wfn   |
10075 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wfn
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 2196
_Distance_constraint_stats_list.Viol_count 4394
_Distance_constraint_stats_list.Viol_total 13995.428
_Distance_constraint_stats_list.Viol_max 2.677
_Distance_constraint_stats_list.Viol_rms 0.0910
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0159
_Distance_constraint_stats_list.Viol_average_violations_only 0.1593
_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 10 LEU 1.766 0.573 20 1 "[ . 1 . +]"
1 11 VAL 9.700 0.733 2 5 "[ + *. 1 * - *2]"
1 12 ARG 5.871 0.733 2 5 "[ + *. 1 * - *2]"
1 13 THR 1.118 0.132 18 0 "[ . 1 . 2]"
1 14 HIS 0.061 0.036 19 0 "[ . 1 . 2]"
1 15 GLU 3.484 0.280 15 0 "[ . 1 . 2]"
1 16 ASP 5.396 0.280 15 0 "[ . 1 . 2]"
1 17 VAL 35.476 0.694 3 10 "[**+*. ** 1*- . **2]"
1 18 PRO 23.489 0.607 20 3 "[ - 1 * +]"
1 19 GLY 2.605 0.087 20 0 "[ . 1 . 2]"
1 20 PRO 6.738 0.457 13 0 "[ . 1 . 2]"
1 21 VAL 15.545 0.457 13 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 HIS 51.579 2.677 11 20 [**********+***-*****]
1 24 LEU 32.611 1.088 13 20 [************+*-*****]
1 25 SER 11.600 0.851 11 8 "[** - ** 1+ * . * 2]"
1 26 PHE 70.684 1.606 2 20 [*+*******-**********]
1 27 SER 0.219 0.083 17 0 "[ . 1 . 2]"
1 28 GLU 0.206 0.047 15 0 "[ . 1 . 2]"
1 29 ILE 21.820 0.986 2 20 [*+****************-*]
1 30 LEU 7.926 0.293 14 0 "[ . 1 . 2]"
1 31 ASP 1.732 0.112 4 0 "[ . 1 . 2]"
1 32 THR 2.217 0.173 10 0 "[ . 1 . 2]"
1 33 SER 3.725 0.468 12 0 "[ . 1 . 2]"
1 34 LEU 3.253 0.271 10 0 "[ . 1 . 2]"
1 35 LYS 11.041 0.541 13 2 "[ . 1 + . -2]"
1 36 VAL 20.197 0.974 17 20 [***********-****+***]
1 37 SER 12.933 0.855 11 18 "[**********+-**.* ***]"
1 38 TRP 8.509 0.318 15 0 "[ . 1 . 2]"
1 39 GLN 37.460 2.677 11 18 "[****.- ***+*********]"
1 40 GLU 11.210 0.317 13 0 "[ . 1 . 2]"
1 41 PRO 16.197 0.317 13 0 "[ . 1 . 2]"
1 42 GLY 11.054 0.330 17 0 "[ . 1 . 2]"
1 43 GLU 24.830 0.683 19 15 "[* * **** **** .*-*+*]"
1 44 LYS 17.520 0.683 19 14 "[- * **** *** .***+*]"
1 45 ASN 12.539 0.558 16 6 "[ . 1*** .+- *2]"
1 46 GLY 1.621 0.116 5 0 "[ . 1 . 2]"
1 47 ILE 11.882 0.658 16 6 "[ *. *1- .+ **]"
1 48 LEU 10.984 0.658 16 6 "[ *. *1- .+ **]"
1 49 THR 4.938 0.270 13 0 "[ . 1 . 2]"
1 50 GLY 3.189 0.136 13 0 "[ . 1 . 2]"
1 51 TYR 2.231 0.149 9 0 "[ . 1 . 2]"
1 52 ARG 10.012 0.481 15 0 "[ . 1 . 2]"
1 53 ILE 28.669 1.222 15 20 [**************+***-*]
1 54 SER 19.967 1.241 7 20 [****-*+*************]
1 55 TRP 25.531 0.853 1 20 [+*********-*********]
1 56 GLU 13.400 0.957 19 6 "[* - 1 ** * +2]"
1 57 GLU 11.486 0.957 19 1 "[ . 1 . +2]"
1 58 TYR 10.254 0.345 19 0 "[ . 1 . 2]"
1 59 ASN 0.862 0.345 19 0 "[ . 1 . 2]"
1 60 ARG 10.404 0.425 9 0 "[ . 1 . 2]"
1 61 THR 0.079 0.071 9 0 "[ . 1 . 2]"
1 62 ASN 0.291 0.291 4 0 "[ . 1 . 2]"
1 63 THR 8.667 0.637 15 5 "[* - 1 *+ * 2]"
1 64 ARG 4.115 0.648 7 4 "[-* . + 1 .* 2]"
1 65 VAL 1.024 0.134 18 0 "[ . 1 . 2]"
1 66 THR 48.165 1.241 7 20 [******+***********-*]
1 67 HIS 1.063 0.094 3 0 "[ . 1 . 2]"
1 68 TYR 9.527 0.451 13 0 "[ . 1 . 2]"
1 69 LEU 21.306 0.529 17 2 "[ - . 1 . + 2]"
1 70 PRO 15.834 0.529 17 2 "[ - . 1 . + 2]"
1 71 ASN 2.663 0.136 13 0 "[ . 1 . 2]"
1 72 VAL 0.615 0.054 9 0 "[ . 1 . 2]"
1 73 THR 10.512 0.259 17 0 "[ . 1 . 2]"
1 74 LEU 4.226 0.241 13 0 "[ . 1 . 2]"
1 75 GLU 3.189 0.311 5 0 "[ . 1 . 2]"
1 76 TYR 10.053 0.359 15 0 "[ . 1 . 2]"
1 77 ARG 21.150 0.784 14 8 "[* .* *1 **+.* -2]"
1 78 VAL 9.928 0.468 12 0 "[ . 1 . 2]"
1 79 THR 17.800 0.784 14 8 "[* .* *1 -*+.* *2]"
1 80 GLY 0.205 0.112 14 0 "[ . 1 . 2]"
1 81 LEU 3.591 0.185 12 0 "[ . 1 . 2]"
1 82 THR 19.636 0.984 10 20 [*********+-*********]
1 83 ALA 25.943 0.984 10 20 [*********+-*********]
1 84 LEU 7.047 0.160 6 0 "[ . 1 . 2]"
1 85 THR 2.287 0.128 2 0 "[ . 1 . 2]"
1 86 THR 1.476 0.085 19 0 "[ . 1 . 2]"
1 87 TYR 3.817 0.694 19 1 "[ . 1 . +2]"
1 88 THR 7.265 0.261 14 0 "[ . 1 . 2]"
1 89 ILE 117.316 1.606 2 20 [*+*******-**********]
1 90 GLU 9.752 0.219 17 0 "[ . 1 . 2]"
1 91 VAL 8.155 0.188 14 0 "[ . 1 . 2]"
1 92 ALA 4.523 0.129 18 0 "[ . 1 . 2]"
1 93 ALA 6.410 0.149 9 0 "[ . 1 . 2]"
1 94 MET 8.362 0.293 20 0 "[ . 1 . 2]"
1 95 THR 6.703 0.310 17 0 "[ . 1 . 2]"
1 96 SER 1.029 0.125 13 0 "[ . 1 . 2]"
1 97 LYS 16.226 0.597 18 1 "[ . 1 . + 2]"
1 98 GLY 13.584 0.694 3 9 "[**+*. ** 1*- . *2]"
1 99 GLN 5.607 0.147 17 0 "[ . 1 . 2]"
1 100 GLY 10.526 0.607 20 3 "[ - 1 * +]"
1 101 GLN 3.337 0.170 14 0 "[ . 1 . 2]"
1 102 VAL 4.802 0.182 9 0 "[ . 1 . 2]"
1 103 SER 20.850 0.768 1 20 [+*****************-*]
1 104 ALA 40.084 0.768 1 20 [+************-******]
1 105 SER 31.110 0.919 1 20 [+****************-**]
1 106 THR 26.395 0.919 1 20 [+*********-*********]
1 107 ILE 20.356 0.563 20 10 "[ *-*** ** ** . +]"
1 108 SER 30.205 0.986 2 20 [*+*-****************]
1 109 SER 1.073 0.213 2 0 "[ . 1 . 2]"
1 110 GLY 1.625 0.213 2 0 "[ . 1 . 2]"
1 111 VAL 7.461 0.164 2 0 "[ . 1 . 2]"
1 112 PRO 10.884 0.172 8 0 "[ . 1 . 2]"
1 113 PRO 10.788 0.213 6 0 "[ . 1 . 2]"
1 114 SER 1.791 0.213 6 0 "[ . 1 . 2]"
1 115 GLY 0.393 0.393 9 0 "[ . 1 . 2]"
1 116 PRO 0.393 0.393 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 65 VAL H 1 66 THR H . . 5.050 4.471 4.373 4.537 . 0 0 "[ . 1 . 2]" 1
2 1 54 SER HA 1 65 VAL H . . 5.040 3.567 3.025 3.906 . 0 0 "[ . 1 . 2]" 1
3 1 64 ARG HA 1 65 VAL H . . 3.530 2.333 2.236 2.447 . 0 0 "[ . 1 . 2]" 1
4 1 54 SER QB 1 65 VAL H . . 5.030 3.375 3.137 3.563 . 0 0 "[ . 1 . 2]" 1
5 1 56 GLU HB2 1 65 VAL H . . 5.080 5.022 4.807 5.135 0.055 19 0 "[ . 1 . 2]" 1
6 1 56 GLU HB3 1 65 VAL H . . 4.780 3.691 3.440 4.032 . 0 0 "[ . 1 . 2]" 1
7 1 64 ARG HB3 1 65 VAL H . . 4.940 3.888 3.510 4.371 . 0 0 "[ . 1 . 2]" 1
8 1 64 ARG QG 1 65 VAL H . . 4.260 2.227 1.916 2.637 . 0 0 "[ . 1 . 2]" 1
9 1 64 ARG H 1 65 VAL H . . 5.030 4.564 4.478 4.658 . 0 0 "[ . 1 . 2]" 1
10 1 35 LYS HA 1 78 VAL H . . 4.200 2.912 2.631 3.401 . 0 0 "[ . 1 . 2]" 1
11 1 78 VAL H 1 78 VAL HB . . 3.480 2.566 2.355 3.460 . 0 0 "[ . 1 . 2]" 1
12 1 36 VAL QG 1 78 VAL H . . 4.420 3.588 3.162 3.811 . 0 0 "[ . 1 . 2]" 1
13 1 91 VAL H 1 92 ALA H . . 4.990 4.322 4.255 4.395 . 0 0 "[ . 1 . 2]" 1
14 1 52 ARG HB3 1 92 ALA H . . 4.950 3.489 3.212 3.791 . 0 0 "[ . 1 . 2]" 1
15 1 55 TRP HE1 1 65 VAL HB . . 4.420 3.465 2.933 4.259 . 0 0 "[ . 1 . 2]" 1
16 1 45 ASN H 1 46 GLY H . . 4.670 2.930 2.706 3.239 . 0 0 "[ . 1 . 2]" 1
17 1 44 LYS HB3 1 46 GLY H . . 4.540 3.064 2.701 3.704 . 0 0 "[ . 1 . 2]" 1
18 1 44 LYS HB2 1 46 GLY H . . 4.480 3.099 2.709 4.022 . 0 0 "[ . 1 . 2]" 1
19 1 89 ILE H 1 104 ALA HA . . 5.000 4.258 3.887 4.487 . 0 0 "[ . 1 . 2]" 1
20 1 89 ILE H 1 106 THR HA . . 4.180 3.889 3.634 4.012 . 0 0 "[ . 1 . 2]" 1
21 1 89 ILE H 1 106 THR MG . . 4.940 5.228 4.994 5.285 0.345 14 0 "[ . 1 . 2]" 1
22 1 76 TYR QD 1 77 ARG H . . 4.100 3.223 3.051 3.489 . 0 0 "[ . 1 . 2]" 1
23 1 76 TYR QE 1 77 ARG H . . 5.160 4.084 3.951 4.451 . 0 0 "[ . 1 . 2]" 1
24 1 76 TYR HB2 1 77 ARG H . . 4.660 4.079 4.026 4.202 . 0 0 "[ . 1 . 2]" 1
25 1 76 TYR HB3 1 77 ARG H . . 4.860 4.005 3.880 4.282 . 0 0 "[ . 1 . 2]" 1
26 1 77 ARG H 1 77 ARG HB3 . . 3.710 2.504 2.301 2.707 . 0 0 "[ . 1 . 2]" 1
27 1 77 ARG H 1 77 ARG HB2 . . 3.640 2.690 2.527 2.964 . 0 0 "[ . 1 . 2]" 1
28 1 35 LYS QG 1 77 ARG H . . 4.820 3.918 3.267 4.767 . 0 0 "[ . 1 . 2]" 1
29 1 36 VAL H 1 78 VAL H . . 4.770 3.946 3.620 4.172 . 0 0 "[ . 1 . 2]" 1
30 1 35 LYS HB2 1 36 VAL H . . 4.420 4.322 4.034 4.461 0.041 10 0 "[ . 1 . 2]" 1
31 1 36 VAL H 1 36 VAL QG . . 3.450 2.624 1.854 2.860 . 0 0 "[ . 1 . 2]" 1
32 1 31 ASP HB2 1 83 ALA H . . 4.880 3.954 3.589 4.216 . 0 0 "[ . 1 . 2]" 1
33 1 104 ALA H 1 105 SER H . . 4.630 4.393 4.354 4.498 . 0 0 "[ . 1 . 2]" 1
34 1 103 SER H 1 104 ALA H . . 3.500 4.188 4.065 4.268 0.768 1 20 [+*****************-*] 1
35 1 103 SER HA 1 104 ALA H . . 2.980 2.239 2.228 2.245 . 0 0 "[ . 1 . 2]" 1
36 1 103 SER HB2 1 104 ALA H . . 4.690 4.636 4.593 4.670 . 0 0 "[ . 1 . 2]" 1
37 1 90 GLU HG3 1 104 ALA H . . 5.020 4.992 4.817 5.239 0.219 17 0 "[ . 1 . 2]" 1
38 1 48 LEU H 1 48 LEU HB3 . . 3.560 3.552 3.472 3.615 0.055 7 0 "[ . 1 . 2]" 1
39 1 47 ILE QG 1 48 LEU H . . 4.710 4.613 4.394 4.788 0.078 1 0 "[ . 1 . 2]" 1
40 1 48 LEU H 1 48 LEU HG . . 3.570 2.725 1.905 3.753 0.183 7 0 "[ . 1 . 2]" 1
41 1 102 VAL H 1 102 VAL MG2 . . 4.050 3.964 3.925 4.050 0.000 20 0 "[ . 1 . 2]" 1
42 1 87 TYR H 1 109 SER H . . 4.590 4.108 3.562 4.556 . 0 0 "[ . 1 . 2]" 1
43 1 86 THR H 1 87 TYR H . . 4.940 4.545 4.462 4.615 . 0 0 "[ . 1 . 2]" 1
44 1 87 TYR H 1 87 TYR QD . . 4.180 3.303 3.090 3.597 . 0 0 "[ . 1 . 2]" 1
45 1 87 TYR H 1 87 TYR HB2 . . 4.150 2.362 2.230 2.443 . 0 0 "[ . 1 . 2]" 1
46 1 66 THR HA 1 67 HIS H . . 3.380 2.167 2.149 2.204 . 0 0 "[ . 1 . 2]" 1
47 1 67 HIS H 1 67 HIS HB2 . . 4.120 2.488 2.275 3.162 . 0 0 "[ . 1 . 2]" 1
48 1 38 TRP HE1 1 74 LEU HA . . 3.710 2.227 2.164 2.277 . 0 0 "[ . 1 . 2]" 1
49 1 38 TRP HE1 1 51 TYR HB3 . . 4.970 3.188 2.935 3.491 . 0 0 "[ . 1 . 2]" 1
50 1 38 TRP HE1 1 51 TYR HB2 . . 4.920 3.475 3.249 3.783 . 0 0 "[ . 1 . 2]" 1
51 1 38 TRP HE1 1 73 THR MG . . 5.010 5.043 4.999 5.112 0.102 15 0 "[ . 1 . 2]" 1
52 1 38 TRP HE1 1 74 LEU HB3 . . 4.890 3.045 2.889 3.349 . 0 0 "[ . 1 . 2]" 1
53 1 38 TRP HE1 1 74 LEU HG . . 4.640 4.338 4.266 4.510 . 0 0 "[ . 1 . 2]" 1
54 1 38 TRP HE1 1 74 LEU QD . . 3.300 2.300 2.142 2.394 . 0 0 "[ . 1 . 2]" 1
55 1 38 TRP HE1 1 91 VAL MG1 . . 4.590 3.361 3.264 3.498 . 0 0 "[ . 1 . 2]" 1
56 1 38 TRP HE1 1 69 LEU MD1 . . 4.800 4.511 4.224 4.624 . 0 0 "[ . 1 . 2]" 1
57 1 38 TRP HE1 1 74 LEU HB2 . . 5.190 4.528 4.411 4.748 . 0 0 "[ . 1 . 2]" 1
58 1 53 ILE H 1 67 HIS H . . 4.340 3.308 2.943 3.666 . 0 0 "[ . 1 . 2]" 1
59 1 53 ILE H 1 54 SER H . . 5.080 4.522 4.474 4.582 . 0 0 "[ . 1 . 2]" 1
60 1 53 ILE H 1 67 HIS HB2 . . 5.030 3.708 3.302 4.076 . 0 0 "[ . 1 . 2]" 1
61 1 52 ARG HB3 1 53 ILE H . . 4.550 4.281 3.957 4.532 . 0 0 "[ . 1 . 2]" 1
62 1 52 ARG HG2 1 53 ILE H . . 4.410 3.522 2.775 4.357 . 0 0 "[ . 1 . 2]" 1
63 1 52 ARG HG3 1 53 ILE H . . 4.340 3.409 2.587 4.468 0.128 6 0 "[ . 1 . 2]" 1
64 1 53 ILE H 1 69 LEU MD1 . . 4.790 3.848 3.429 4.189 . 0 0 "[ . 1 . 2]" 1
65 1 52 ARG HD2 1 53 ILE H . . 5.140 5.018 4.630 5.588 0.448 18 0 "[ . 1 . 2]" 1
66 1 57 GLU H 1 63 THR HB . . 4.270 3.503 2.651 4.244 . 0 0 "[ . 1 . 2]" 1
67 1 56 GLU HG2 1 57 GLU H . . 4.910 4.591 3.797 5.146 0.236 2 0 "[ . 1 . 2]" 1
68 1 56 GLU HG3 1 57 GLU H . . 3.970 3.769 2.986 4.927 0.957 19 1 "[ . 1 . +2]" 1
69 1 57 GLU H 1 57 GLU HB2 . . 3.700 2.175 2.073 2.954 . 0 0 "[ . 1 . 2]" 1
70 1 93 ALA H 1 102 VAL HA . . 5.220 4.205 4.022 4.487 . 0 0 "[ . 1 . 2]" 1
71 1 31 ASP H 1 32 THR H . . 3.630 1.915 1.864 1.993 . 0 0 "[ . 1 . 2]" 1
72 1 31 ASP HB2 1 32 THR H . . 4.800 3.832 3.554 4.181 . 0 0 "[ . 1 . 2]" 1
73 1 30 LEU HB2 1 32 THR H . . 4.330 2.801 2.471 2.976 . 0 0 "[ . 1 . 2]" 1
74 1 30 LEU HB3 1 32 THR H . . 4.370 3.419 3.322 3.514 . 0 0 "[ . 1 . 2]" 1
75 1 30 LEU HG 1 32 THR H . . 5.050 5.038 4.945 5.159 0.109 1 0 "[ . 1 . 2]" 1
76 1 30 LEU HA 1 32 THR H . . 4.930 4.902 4.644 5.016 0.086 14 0 "[ . 1 . 2]" 1
77 1 31 ASP HB3 1 32 THR H . . 4.950 4.134 3.918 4.300 . 0 0 "[ . 1 . 2]" 1
78 1 30 LEU QD 1 32 THR H . . 4.800 4.185 3.703 4.396 . 0 0 "[ . 1 . 2]" 1
79 1 90 GLU H 1 90 GLU HB2 . . 4.190 2.598 2.369 2.694 . 0 0 "[ . 1 . 2]" 1
80 1 89 ILE QG 1 90 GLU H . . 4.830 4.923 4.883 4.944 0.114 17 0 "[ . 1 . 2]" 1
81 1 58 TYR H 1 88 THR H . . 4.640 4.691 4.466 4.758 0.118 15 0 "[ . 1 . 2]" 1
82 1 58 TYR H 1 59 ASN H . . 5.040 2.986 2.270 3.148 . 0 0 "[ . 1 . 2]" 1
83 1 58 TYR H 1 58 TYR HB2 . . 3.690 2.477 2.333 2.809 . 0 0 "[ . 1 . 2]" 1
84 1 57 GLU HB3 1 58 TYR H . . 4.630 2.276 1.826 2.520 . 0 0 "[ . 1 . 2]" 1
85 1 58 TYR H 1 86 THR MG . . 4.790 3.980 3.558 4.750 . 0 0 "[ . 1 . 2]" 1
86 1 58 TYR H 1 85 THR MG . . 5.050 3.757 3.526 4.032 . 0 0 "[ . 1 . 2]" 1
87 1 44 LYS H 1 45 ASN H . . 4.120 2.905 2.682 3.061 . 0 0 "[ . 1 . 2]" 1
88 1 44 LYS H 1 44 LYS HB3 . . 4.200 3.577 3.506 4.109 . 0 0 "[ . 1 . 2]" 1
89 1 44 LYS H 1 44 LYS HB2 . . 4.120 2.556 2.273 3.773 . 0 0 "[ . 1 . 2]" 1
90 1 44 LYS H 1 44 LYS HG3 . . 4.190 2.280 2.039 4.112 . 0 0 "[ . 1 . 2]" 1
91 1 51 TYR H 1 69 LEU H . . 4.030 2.587 2.368 2.929 . 0 0 "[ . 1 . 2]" 1
92 1 68 TYR H 1 69 LEU H . . 4.910 4.339 4.097 4.419 . 0 0 "[ . 1 . 2]" 1
93 1 68 TYR HB2 1 69 LEU H . . 4.410 4.302 4.110 4.454 0.044 3 0 "[ . 1 . 2]" 1
94 1 51 TYR HB2 1 69 LEU H . . 5.140 3.758 3.528 3.972 . 0 0 "[ . 1 . 2]" 1
95 1 69 LEU H 1 69 LEU QB . . 3.750 2.765 2.679 2.820 . 0 0 "[ . 1 . 2]" 1
96 1 68 TYR HB3 1 69 LEU H . . 4.710 3.372 3.094 3.933 . 0 0 "[ . 1 . 2]" 1
97 1 90 GLU H 1 91 VAL H . . 5.100 4.401 4.366 4.463 . 0 0 "[ . 1 . 2]" 1
98 1 90 GLU H 1 90 GLU HG3 . . 4.880 2.662 2.573 2.880 . 0 0 "[ . 1 . 2]" 1
99 1 23 HIS H 1 24 LEU H . . 3.500 4.347 4.107 4.588 1.088 13 20 [************+*-*****] 1
100 1 52 ARG H 1 92 ALA H . . 4.040 3.126 2.792 3.303 . 0 0 "[ . 1 . 2]" 1
101 1 52 ARG H 1 53 ILE H . . 5.100 4.390 4.182 4.521 . 0 0 "[ . 1 . 2]" 1
102 1 51 TYR H 1 52 ARG H . . 5.090 4.337 4.244 4.499 . 0 0 "[ . 1 . 2]" 1
103 1 52 ARG H 1 94 MET H . . 5.040 4.522 3.805 5.015 . 0 0 "[ . 1 . 2]" 1
104 1 51 TYR QD 1 52 ARG H . . 5.130 3.918 3.699 4.184 . 0 0 "[ . 1 . 2]" 1
105 1 51 TYR HA 1 52 ARG H . . 3.380 2.236 2.190 2.316 . 0 0 "[ . 1 . 2]" 1
106 1 51 TYR HB3 1 52 ARG H . . 4.040 3.275 2.943 3.554 . 0 0 "[ . 1 . 2]" 1
107 1 52 ARG H 1 94 MET ME . . 4.640 3.960 2.939 4.683 0.043 12 0 "[ . 1 . 2]" 1
108 1 52 ARG H 1 52 ARG HB3 . . 3.920 2.581 2.326 2.873 . 0 0 "[ . 1 . 2]" 1
109 1 52 ARG H 1 92 ALA MB . . 4.590 3.156 2.972 3.289 . 0 0 "[ . 1 . 2]" 1
110 1 52 ARG H 1 52 ARG HG3 . . 5.190 4.422 4.275 4.620 . 0 0 "[ . 1 . 2]" 1
111 1 24 LEU H 1 25 SER H . . 5.190 4.642 4.614 4.671 . 0 0 "[ . 1 . 2]" 1
112 1 24 LEU H 1 24 LEU HG . . 3.910 3.932 3.785 4.043 0.133 5 0 "[ . 1 . 2]" 1
113 1 24 LEU H 1 24 LEU HB2 . . 3.710 2.025 1.990 2.110 . 0 0 "[ . 1 . 2]" 1
114 1 64 ARG H 1 64 ARG HB2 . . 3.760 2.641 2.279 2.891 . 0 0 "[ . 1 . 2]" 1
115 1 56 GLU HB3 1 64 ARG H . . 4.810 4.353 3.522 4.838 0.028 11 0 "[ . 1 . 2]" 1
116 1 64 ARG H 1 64 ARG HB3 . . 3.670 2.596 2.325 2.884 . 0 0 "[ . 1 . 2]" 1
117 1 64 ARG H 1 64 ARG QG . . 4.750 3.991 3.878 4.105 . 0 0 "[ . 1 . 2]" 1
118 1 74 LEU H 1 75 GLU HB3 . . 4.940 4.036 3.789 4.445 . 0 0 "[ . 1 . 2]" 1
119 1 73 THR HB 1 74 LEU H . . 4.390 4.236 4.179 4.339 . 0 0 "[ . 1 . 2]" 1
120 1 74 LEU H 1 74 LEU HB3 . . 4.060 3.874 3.809 3.894 . 0 0 "[ . 1 . 2]" 1
121 1 74 LEU H 1 74 LEU HB2 . . 3.740 2.948 2.824 2.996 . 0 0 "[ . 1 . 2]" 1
122 1 84 LEU H 1 109 SER HG . . 4.250 2.292 1.929 2.587 . 0 0 "[ . 1 . 2]" 1
123 1 31 ASP HA 1 84 LEU H . . 4.360 3.429 3.249 3.562 . 0 0 "[ . 1 . 2]" 1
124 1 31 ASP HB2 1 84 LEU H . . 5.160 4.221 3.532 4.691 . 0 0 "[ . 1 . 2]" 1
125 1 84 LEU H 1 84 LEU HG . . 3.590 2.864 2.571 3.047 . 0 0 "[ . 1 . 2]" 1
126 1 87 TYR H 1 107 ILE H . . 4.120 2.685 2.358 2.844 . 0 0 "[ . 1 . 2]" 1
127 1 106 THR H 1 107 ILE H . . 5.130 4.588 4.532 4.626 . 0 0 "[ . 1 . 2]" 1
128 1 107 ILE H 1 108 SER H . . 5.160 4.221 4.176 4.305 . 0 0 "[ . 1 . 2]" 1
129 1 106 THR HA 1 107 ILE H . . 3.070 2.185 2.152 2.229 . 0 0 "[ . 1 . 2]" 1
130 1 88 THR HA 1 107 ILE H . . 4.180 3.257 3.043 3.584 . 0 0 "[ . 1 . 2]" 1
131 1 86 THR HA 1 107 ILE H . . 4.960 4.269 4.080 4.626 . 0 0 "[ . 1 . 2]" 1
132 1 106 THR HB 1 107 ILE H . . 3.910 3.961 3.913 4.058 0.148 5 0 "[ . 1 . 2]" 1
133 1 87 TYR HB2 1 107 ILE H . . 5.190 3.886 3.489 4.045 . 0 0 "[ . 1 . 2]" 1
134 1 89 ILE MD 1 107 ILE H . . 4.590 4.663 4.340 4.867 0.277 7 0 "[ . 1 . 2]" 1
135 1 85 THR H 1 86 THR H . . 4.640 4.375 4.214 4.429 . 0 0 "[ . 1 . 2]" 1
136 1 85 THR HB 1 86 THR H . . 4.690 4.253 4.082 4.541 . 0 0 "[ . 1 . 2]" 1
137 1 11 VAL H 1 11 VAL HB . . 3.690 3.093 2.242 3.520 . 0 0 "[ . 1 . 2]" 1
138 1 10 LEU HG 1 11 VAL H . . 4.480 3.695 2.089 4.417 . 0 0 "[ . 1 . 2]" 1
139 1 11 VAL H 1 11 VAL MG2 . . 3.810 3.677 2.523 4.054 0.244 6 0 "[ . 1 . 2]" 1
140 1 102 VAL HB 1 103 SER H . . 4.650 4.339 4.168 4.447 . 0 0 "[ . 1 . 2]" 1
141 1 27 SER H 1 35 LYS H . . 4.090 2.999 2.819 3.239 . 0 0 "[ . 1 . 2]" 1
142 1 35 LYS H 1 36 VAL H . . 4.510 4.529 4.454 4.568 0.058 18 0 "[ . 1 . 2]" 1
143 1 34 LEU HA 1 35 LYS H . . 3.350 2.354 2.280 2.520 . 0 0 "[ . 1 . 2]" 1
144 1 29 ILE HA 1 35 LYS H . . 4.680 3.695 3.355 3.958 . 0 0 "[ . 1 . 2]" 1
145 1 34 LEU HB3 1 35 LYS H . . 4.030 4.002 3.768 4.214 0.184 17 0 "[ . 1 . 2]" 1
146 1 28 GLU HB2 1 35 LYS H . . 4.440 3.578 3.211 3.966 . 0 0 "[ . 1 . 2]" 1
147 1 35 LYS H 1 35 LYS HB3 . . 3.800 2.631 2.335 2.842 . 0 0 "[ . 1 . 2]" 1
148 1 29 ILE HG12 1 35 LYS H . . 4.820 3.236 2.871 3.551 . 0 0 "[ . 1 . 2]" 1
149 1 34 LEU HB2 1 35 LYS H . . 3.830 2.783 2.436 3.026 . 0 0 "[ . 1 . 2]" 1
150 1 35 LYS H 1 35 LYS HB2 . . 3.720 2.630 2.490 3.215 . 0 0 "[ . 1 . 2]" 1
151 1 29 ILE MG 1 35 LYS H . . 4.820 4.721 4.460 4.908 0.088 17 0 "[ . 1 . 2]" 1
152 1 34 LEU QD 1 35 LYS H . . 4.170 3.056 2.621 3.460 . 0 0 "[ . 1 . 2]" 1
153 1 35 LYS H 1 35 LYS QG . . 4.540 4.008 3.861 4.062 . 0 0 "[ . 1 . 2]" 1
154 1 70 PRO HB3 1 73 THR H . . 4.880 4.958 4.918 4.995 0.115 3 0 "[ . 1 . 2]" 1
155 1 72 VAL HB 1 73 THR H . . 4.690 4.175 3.937 4.263 . 0 0 "[ . 1 . 2]" 1
156 1 69 LEU QB 1 73 THR H . . 4.690 4.033 3.989 4.069 . 0 0 "[ . 1 . 2]" 1
157 1 51 TYR QD 1 73 THR H . . 5.160 3.721 3.507 3.919 . 0 0 "[ . 1 . 2]" 1
158 1 70 PRO QG 1 73 THR H . . 4.140 2.945 2.744 3.057 . 0 0 "[ . 1 . 2]" 1
159 1 73 THR H 1 73 THR MG . . 3.940 3.699 3.641 3.744 . 0 0 "[ . 1 . 2]" 1
160 1 73 THR H 1 74 LEU QD . . 5.140 4.115 4.017 4.271 . 0 0 "[ . 1 . 2]" 1
161 1 36 VAL H 1 76 TYR H . . 4.010 2.632 2.410 2.770 . 0 0 "[ . 1 . 2]" 1
162 1 76 TYR H 1 76 TYR QD . . 4.890 4.219 4.056 4.270 . 0 0 "[ . 1 . 2]" 1
163 1 38 TRP HZ3 1 76 TYR H . . 4.490 3.291 3.053 3.557 . 0 0 "[ . 1 . 2]" 1
164 1 38 TRP HH2 1 76 TYR H . . 4.920 4.119 3.908 4.314 . 0 0 "[ . 1 . 2]" 1
165 1 37 SER HA 1 76 TYR H . . 4.230 3.678 3.559 3.861 . 0 0 "[ . 1 . 2]" 1
166 1 36 VAL HB 1 76 TYR H . . 4.560 3.130 2.737 4.691 0.131 15 0 "[ . 1 . 2]" 1
167 1 75 GLU HB2 1 76 TYR H . . 3.910 2.856 2.684 3.007 . 0 0 "[ . 1 . 2]" 1
168 1 76 TYR H 1 77 ARG H . . 4.990 4.339 4.213 4.407 . 0 0 "[ . 1 . 2]" 1
169 1 75 GLU H 1 76 TYR H . . 4.690 4.390 4.333 4.428 . 0 0 "[ . 1 . 2]" 1
170 1 75 GLU HB3 1 76 TYR H . . 4.120 4.068 3.899 4.183 0.063 14 0 "[ . 1 . 2]" 1
171 1 35 LYS QD 1 76 TYR H . . 5.090 3.609 2.411 4.888 . 0 0 "[ . 1 . 2]" 1
172 1 35 LYS QG 1 76 TYR H . . 4.460 3.509 2.957 3.779 . 0 0 "[ . 1 . 2]" 1
173 1 54 SER H 1 89 ILE HA . . 5.100 4.251 3.989 4.507 . 0 0 "[ . 1 . 2]" 1
174 1 42 GLY H 1 43 GLU H . . 3.590 2.489 2.350 2.687 . 0 0 "[ . 1 . 2]" 1
175 1 19 GLY HA3 1 43 GLU H . . 4.920 4.256 3.834 4.822 . 0 0 "[ . 1 . 2]" 1
176 1 41 PRO HB3 1 43 GLU H . . 4.160 3.889 3.734 4.125 . 0 0 "[ . 1 . 2]" 1
177 1 43 GLU H 1 43 GLU HB3 . . 3.480 3.476 3.395 3.732 0.252 13 0 "[ . 1 . 2]" 1
178 1 41 PRO HB2 1 43 GLU H . . 4.220 2.432 2.128 2.751 . 0 0 "[ . 1 . 2]" 1
179 1 54 SER H 1 90 GLU H . . 4.080 2.820 2.660 3.039 . 0 0 "[ . 1 . 2]" 1
180 1 53 ILE HG13 1 54 SER H . . 3.850 2.617 2.149 2.939 . 0 0 "[ . 1 . 2]" 1
181 1 54 SER H 1 90 GLU HB3 . . 4.730 4.700 4.367 4.789 0.059 12 0 "[ . 1 . 2]" 1
182 1 53 ILE HB 1 54 SER H . . 4.290 4.046 3.914 4.126 . 0 0 "[ . 1 . 2]" 1
183 1 53 ILE HG12 1 54 SER H . . 3.930 2.524 2.194 3.083 . 0 0 "[ . 1 . 2]" 1
184 1 47 ILE H 1 48 LEU H . . 4.650 4.334 4.047 4.552 . 0 0 "[ . 1 . 2]" 1
185 1 47 ILE H 1 95 THR MG . . 4.460 3.601 2.879 4.464 0.004 14 0 "[ . 1 . 2]" 1
186 1 47 ILE H 1 47 ILE MD . . 3.750 3.551 2.182 3.902 0.152 8 0 "[ . 1 . 2]" 1
187 1 24 LEU QD 1 25 SER H . . 3.780 2.797 2.410 3.577 . 0 0 "[ . 1 . 2]" 1
188 1 67 HIS H 1 68 TYR H . . 5.150 4.487 4.403 4.553 . 0 0 "[ . 1 . 2]" 1
189 1 68 TYR H 1 68 TYR QD . . 4.050 3.454 3.011 3.679 . 0 0 "[ . 1 . 2]" 1
190 1 67 HIS HA 1 68 TYR H . . 3.220 2.432 2.281 2.512 . 0 0 "[ . 1 . 2]" 1
191 1 68 TYR H 1 68 TYR HB2 . . 3.950 2.452 2.385 2.559 . 0 0 "[ . 1 . 2]" 1
192 1 67 HIS HB3 1 68 TYR H . . 3.890 2.682 2.440 3.222 . 0 0 "[ . 1 . 2]" 1
193 1 68 TYR H 1 68 TYR HB3 . . 3.700 3.634 3.564 3.704 0.004 14 0 "[ . 1 . 2]" 1
194 1 67 HIS HB2 1 68 TYR H . . 4.240 3.967 3.550 4.147 . 0 0 "[ . 1 . 2]" 1
195 1 109 SER H 1 109 SER HG . . 5.020 3.458 3.179 4.099 . 0 0 "[ . 1 . 2]" 1
196 1 108 SER HB2 1 109 SER H . . 4.700 4.244 4.038 4.527 . 0 0 "[ . 1 . 2]" 1
197 1 108 SER HB3 1 109 SER H . . 4.860 4.447 4.166 4.633 . 0 0 "[ . 1 . 2]" 1
198 1 37 SER H 1 38 TRP H . . 4.670 4.388 4.167 4.484 . 0 0 "[ . 1 . 2]" 1
199 1 36 VAL HB 1 37 SER H . . 3.500 4.099 3.340 4.355 0.855 11 18 "[**********+-**.* ***]" 1
200 1 36 VAL QG 1 37 SER H . . 3.230 2.324 2.063 2.629 . 0 0 "[ . 1 . 2]" 1
201 1 24 LEU QD 1 37 SER H . . 4.850 3.710 3.481 4.071 . 0 0 "[ . 1 . 2]" 1
202 1 87 TYR QD 1 109 SER H . . 4.790 3.054 2.682 3.280 . 0 0 "[ . 1 . 2]" 1
203 1 57 GLU HB2 1 60 ARG H . . 5.000 3.576 2.917 4.045 . 0 0 "[ . 1 . 2]" 1
204 1 59 ASN H 1 60 ARG H . . 4.380 3.098 2.561 3.408 . 0 0 "[ . 1 . 2]" 1
205 1 65 VAL HB 1 66 THR H . . 4.530 3.948 3.648 4.092 . 0 0 "[ . 1 . 2]" 1
206 1 38 TRP H 1 38 TRP HE3 . . 4.290 3.561 3.316 3.897 . 0 0 "[ . 1 . 2]" 1
207 1 38 TRP H 1 38 TRP HD1 . . 5.020 4.339 4.058 4.516 . 0 0 "[ . 1 . 2]" 1
208 1 37 SER HA 1 38 TRP H . . 3.060 2.398 2.237 2.572 . 0 0 "[ . 1 . 2]" 1
209 1 38 TRP H 1 75 GLU HA . . 3.980 3.633 3.340 3.975 . 0 0 "[ . 1 . 2]" 1
210 1 38 TRP H 1 74 LEU HA . . 4.750 4.341 3.831 4.614 . 0 0 "[ . 1 . 2]" 1
211 1 38 TRP H 1 75 GLU HB3 . . 4.830 3.539 3.307 3.751 . 0 0 "[ . 1 . 2]" 1
212 1 38 TRP H 1 74 LEU HB3 . . 4.410 3.299 2.848 3.432 . 0 0 "[ . 1 . 2]" 1
213 1 38 TRP H 1 39 GLN H . . 4.930 4.323 4.273 4.395 . 0 0 "[ . 1 . 2]" 1
214 1 38 TRP H 1 74 LEU HB2 . . 4.960 3.156 2.976 3.363 . 0 0 "[ . 1 . 2]" 1
215 1 97 LYS H 1 97 LYS QD . . 4.750 4.381 2.183 4.741 . 0 0 "[ . 1 . 2]" 1
216 1 97 LYS H 1 98 GLY H . . 3.560 2.165 1.917 2.732 . 0 0 "[ . 1 . 2]" 1
217 1 95 THR HG1 1 97 LYS H . . 4.540 2.659 2.083 3.648 . 0 0 "[ . 1 . 2]" 1
218 1 95 THR HA 1 97 LYS H . . 5.220 4.128 4.034 4.806 . 0 0 "[ . 1 . 2]" 1
219 1 95 THR HB 1 97 LYS H . . 4.430 2.786 2.621 3.248 . 0 0 "[ . 1 . 2]" 1
220 1 97 LYS H 1 97 LYS HG2 . . 4.310 3.643 1.748 4.206 . 0 0 "[ . 1 . 2]" 1
221 1 54 SER H 1 55 TRP H . . 4.960 3.993 3.899 4.257 . 0 0 "[ . 1 . 2]" 1
222 1 55 TRP H 1 55 TRP HE3 . . 4.360 3.248 2.918 3.574 . 0 0 "[ . 1 . 2]" 1
223 1 54 SER HA 1 55 TRP H . . 3.300 2.220 2.215 2.285 . 0 0 "[ . 1 . 2]" 1
224 1 55 TRP H 1 64 ARG HA . . 5.250 4.475 3.651 4.869 . 0 0 "[ . 1 . 2]" 1
225 1 55 TRP H 1 64 ARG QG . . 5.040 4.146 3.580 4.795 . 0 0 "[ . 1 . 2]" 1
226 1 55 TRP H 1 65 VAL QG . . 4.580 2.312 1.826 3.284 . 0 0 "[ . 1 . 2]" 1
227 1 55 TRP H 1 65 VAL HB . . 4.550 3.884 2.214 4.535 . 0 0 "[ . 1 . 2]" 1
228 1 80 GLY H 1 81 LEU H . . 3.900 2.134 2.005 2.349 . 0 0 "[ . 1 . 2]" 1
229 1 33 SER HA 1 81 LEU H . . 5.040 4.178 3.720 4.437 . 0 0 "[ . 1 . 2]" 1
230 1 81 LEU H 1 81 LEU HB3 . . 4.090 3.603 3.502 3.650 . 0 0 "[ . 1 . 2]" 1
231 1 81 LEU H 1 81 LEU HG . . 3.630 2.034 1.928 2.488 . 0 0 "[ . 1 . 2]" 1
232 1 78 VAL QG 1 81 LEU H . . 4.990 4.137 3.191 4.482 . 0 0 "[ . 1 . 2]" 1
233 1 91 VAL H 1 103 SER H . . 4.480 2.548 2.268 2.808 . 0 0 "[ . 1 . 2]" 1
234 1 90 GLU HG3 1 91 VAL H . . 4.800 4.771 4.738 4.866 0.066 6 0 "[ . 1 . 2]" 1
235 1 90 GLU HB2 1 91 VAL H . . 4.820 4.281 4.179 4.428 . 0 0 "[ . 1 . 2]" 1
236 1 90 GLU HB3 1 91 VAL H . . 4.490 3.528 3.339 3.627 . 0 0 "[ . 1 . 2]" 1
237 1 81 LEU H 1 81 LEU MD1 . . 4.270 3.352 3.189 3.493 . 0 0 "[ . 1 . 2]" 1
238 1 87 TYR H 1 88 THR H . . 5.000 4.454 4.405 4.504 . 0 0 "[ . 1 . 2]" 1
239 1 88 THR H 1 89 ILE H . . 4.730 4.234 4.104 4.319 . 0 0 "[ . 1 . 2]" 1
240 1 88 THR H 1 107 ILE H . . 4.730 4.686 4.599 4.780 0.050 19 0 "[ . 1 . 2]" 1
241 1 56 GLU H 1 88 THR H . . 4.060 2.861 2.701 3.124 . 0 0 "[ . 1 . 2]" 1
242 1 87 TYR QD 1 88 THR H . . 4.640 3.371 2.755 3.687 . 0 0 "[ . 1 . 2]" 1
243 1 87 TYR HB3 1 88 THR H . . 4.090 2.919 2.637 3.190 . 0 0 "[ . 1 . 2]" 1
244 1 87 TYR HB2 1 88 THR H . . 4.370 4.156 3.973 4.315 . 0 0 "[ . 1 . 2]" 1
245 1 29 ILE H 1 30 LEU H . . 5.120 4.593 4.558 4.644 . 0 0 "[ . 1 . 2]" 1
246 1 28 GLU QG 1 29 ILE H . . 5.080 4.605 4.489 4.856 . 0 0 "[ . 1 . 2]" 1
247 1 29 ILE H 1 29 ILE HG13 . . 3.920 2.273 2.170 2.347 . 0 0 "[ . 1 . 2]" 1
248 1 26 PHE QD 1 27 SER H . . 4.510 3.959 3.772 4.293 . 0 0 "[ . 1 . 2]" 1
249 1 26 PHE HB2 1 27 SER H . . 4.310 4.148 3.749 4.325 0.015 12 0 "[ . 1 . 2]" 1
250 1 27 SER H 1 36 VAL HA . . 4.580 4.122 3.780 4.369 . 0 0 "[ . 1 . 2]" 1
251 1 27 SER H 1 35 LYS HB2 . . 4.940 4.315 4.017 4.644 . 0 0 "[ . 1 . 2]" 1
252 1 27 SER H 1 36 VAL QG . . 5.180 4.661 4.432 4.935 . 0 0 "[ . 1 . 2]" 1
253 1 28 GLU H 1 29 ILE H . . 4.460 3.011 2.719 3.129 . 0 0 "[ . 1 . 2]" 1
254 1 105 SER H 1 106 THR H . . 3.500 4.393 4.357 4.419 0.919 1 20 [+*********-*********] 1
255 1 105 SER QB 1 106 THR H . . 3.780 3.404 3.292 3.534 . 0 0 "[ . 1 . 2]" 1
256 1 100 GLY H 1 101 GLN H . . 4.690 4.223 4.136 4.405 . 0 0 "[ . 1 . 2]" 1
257 1 101 GLN H 1 101 GLN HG2 . . 5.010 4.596 4.522 4.850 . 0 0 "[ . 1 . 2]" 1
258 1 51 TYR HA 1 94 MET H . . 3.850 2.962 2.308 3.335 . 0 0 "[ . 1 . 2]" 1
259 1 94 MET H 1 94 MET HB3 . . 4.010 3.746 3.641 3.845 . 0 0 "[ . 1 . 2]" 1
260 1 56 GLU H 1 87 TYR QD . . 4.720 3.324 2.711 3.950 . 0 0 "[ . 1 . 2]" 1
261 1 55 TRP HB3 1 56 GLU H . . 4.360 4.233 4.061 4.409 0.049 19 0 "[ . 1 . 2]" 1
262 1 56 GLU H 1 87 TYR HB3 . . 4.000 4.000 3.495 4.694 0.694 19 1 "[ . 1 . +2]" 1
263 1 85 THR H 1 109 SER H . . 3.810 2.774 2.632 3.518 . 0 0 "[ . 1 . 2]" 1
264 1 85 THR H 1 87 TYR QE . . 4.730 4.278 4.009 4.780 0.050 2 0 "[ . 1 . 2]" 1
265 1 85 THR H 1 109 SER HG . . 3.570 1.953 1.919 2.020 . 0 0 "[ . 1 . 2]" 1
266 1 85 THR H 1 85 THR HB . . 3.570 2.623 2.531 2.685 . 0 0 "[ . 1 . 2]" 1
267 1 84 LEU HB2 1 85 THR H . . 5.200 4.494 4.457 4.517 . 0 0 "[ . 1 . 2]" 1
268 1 84 LEU HB3 1 85 THR H . . 4.500 4.458 4.430 4.498 . 0 0 "[ . 1 . 2]" 1
269 1 83 ALA MB 1 85 THR H . . 4.920 4.927 4.795 4.979 0.059 10 0 "[ . 1 . 2]" 1
270 1 82 THR H 1 85 THR MG . . 5.090 3.634 3.457 3.797 . 0 0 "[ . 1 . 2]" 1
271 1 26 PHE HZ 1 105 SER H . . 5.140 3.376 3.164 3.723 . 0 0 "[ . 1 . 2]" 1
272 1 90 GLU HG3 1 105 SER H . . 5.070 4.239 4.024 4.627 . 0 0 "[ . 1 . 2]" 1
273 1 24 LEU QD 1 105 SER H . . 4.020 3.031 2.571 3.370 . 0 0 "[ . 1 . 2]" 1
274 1 82 THR H 1 87 TYR QE . . 4.770 1.987 1.928 2.145 . 0 0 "[ . 1 . 2]" 1
275 1 82 THR H 1 85 THR HB . . 5.090 3.217 2.900 3.416 . 0 0 "[ . 1 . 2]" 1
276 1 81 LEU HB2 1 82 THR H . . 3.990 2.281 1.983 3.357 . 0 0 "[ . 1 . 2]" 1
277 1 81 LEU HB3 1 82 THR H . . 4.400 2.117 1.931 2.215 . 0 0 "[ . 1 . 2]" 1
278 1 81 LEU MD1 1 82 THR H . . 4.820 3.757 3.586 4.107 . 0 0 "[ . 1 . 2]" 1
279 1 81 LEU MD2 1 82 THR H . . 4.290 3.895 2.869 4.071 . 0 0 "[ . 1 . 2]" 1
280 1 91 VAL H 1 105 SER H . . 5.090 4.904 4.709 5.134 0.044 9 0 "[ . 1 . 2]" 1
281 1 38 TRP HB3 1 39 GLN H . . 4.270 3.627 3.499 3.851 . 0 0 "[ . 1 . 2]" 1
282 1 38 TRP HB2 1 39 GLN H . . 3.910 2.132 1.929 2.507 . 0 0 "[ . 1 . 2]" 1
283 1 51 TYR H 1 69 LEU QB . . 4.060 3.023 2.773 3.227 . 0 0 "[ . 1 . 2]" 1
284 1 51 TYR H 1 69 LEU HG . . 5.160 4.549 4.334 4.716 . 0 0 "[ . 1 . 2]" 1
285 1 51 TYR H 1 51 TYR QD . . 4.940 3.246 2.902 3.473 . 0 0 "[ . 1 . 2]" 1
286 1 51 TYR H 1 71 ASN HA . . 4.950 4.582 4.170 4.796 . 0 0 "[ . 1 . 2]" 1
287 1 48 LEU HG 1 49 THR H . . 5.180 5.250 5.163 5.367 0.187 9 0 "[ . 1 . 2]" 1
288 1 16 ASP H 1 17 VAL H . . 3.000 2.578 1.905 3.015 0.015 19 0 "[ . 1 . 2]" 1
289 1 33 SER H 1 34 LEU H . . 4.670 4.196 4.055 4.282 . 0 0 "[ . 1 . 2]" 1
290 1 55 TRP HZ2 1 79 THR H . . 4.510 3.479 3.311 3.683 . 0 0 "[ . 1 . 2]" 1
291 1 78 VAL HB 1 79 THR H . . 4.710 3.901 3.371 4.101 . 0 0 "[ . 1 . 2]" 1
292 1 110 GLY H 1 111 VAL H . . 4.280 3.324 2.901 3.444 . 0 0 "[ . 1 . 2]" 1
293 1 110 GLY HA3 1 111 VAL H . . 3.360 2.328 2.287 2.372 . 0 0 "[ . 1 . 2]" 1
294 1 30 LEU H 1 33 SER H . . 4.550 2.986 2.817 3.106 . 0 0 "[ . 1 . 2]" 1
295 1 31 ASP H 1 33 SER H . . 4.240 3.040 2.854 3.322 . 0 0 "[ . 1 . 2]" 1
296 1 30 LEU HA 1 33 SER H . . 4.740 4.836 4.759 4.939 0.199 10 0 "[ . 1 . 2]" 1
297 1 32 THR HB 1 33 SER H . . 5.030 4.614 4.546 4.666 . 0 0 "[ . 1 . 2]" 1
298 1 31 ASP HA 1 33 SER H . . 5.060 4.450 4.381 4.529 . 0 0 "[ . 1 . 2]" 1
299 1 30 LEU HB2 1 33 SER H . . 3.950 2.525 2.350 2.691 . 0 0 "[ . 1 . 2]" 1
300 1 30 LEU HB3 1 33 SER H . . 4.360 3.970 3.835 4.104 . 0 0 "[ . 1 . 2]" 1
301 1 30 LEU HG 1 33 SER H . . 4.980 4.790 4.410 5.009 0.029 14 0 "[ . 1 . 2]" 1
302 1 33 SER H 1 81 LEU HB2 . . 5.160 4.261 3.420 4.579 . 0 0 "[ . 1 . 2]" 1
303 1 32 THR MG 1 33 SER H . . 4.300 4.225 4.100 4.384 0.084 10 0 "[ . 1 . 2]" 1
304 1 33 SER H 1 34 LEU QD . . 5.050 4.539 4.311 4.808 . 0 0 "[ . 1 . 2]" 1
305 1 34 LEU H 1 35 LYS H . . 5.180 4.333 4.252 4.390 . 0 0 "[ . 1 . 2]" 1
306 1 34 LEU H 1 78 VAL H . . 3.980 2.865 2.389 3.052 . 0 0 "[ . 1 . 2]" 1
307 1 33 SER HA 1 34 LEU H . . 3.410 2.258 2.235 2.323 . 0 0 "[ . 1 . 2]" 1
308 1 33 SER QB 1 34 LEU H . . 3.880 3.131 2.875 3.232 . 0 0 "[ . 1 . 2]" 1
309 1 34 LEU H 1 34 LEU HG . . 3.580 2.549 2.310 2.834 . 0 0 "[ . 1 . 2]" 1
310 1 34 LEU H 1 77 ARG HG2 . . 4.850 4.323 3.197 4.933 0.083 11 0 "[ . 1 . 2]" 1
311 1 30 LEU QD 1 34 LEU H . . 5.140 4.355 4.198 4.453 . 0 0 "[ . 1 . 2]" 1
312 1 34 LEU H 1 34 LEU QD . . 4.210 3.186 2.942 3.358 . 0 0 "[ . 1 . 2]" 1
313 1 74 LEU H 1 75 GLU H . . 3.170 1.877 1.850 1.893 . 0 0 "[ . 1 . 2]" 1
314 1 37 SER HA 1 75 GLU H . . 4.920 4.417 4.213 4.506 . 0 0 "[ . 1 . 2]" 1
315 1 73 THR HA 1 75 GLU H . . 3.920 3.562 3.410 3.621 . 0 0 "[ . 1 . 2]" 1
316 1 75 GLU H 1 75 GLU HB3 . . 3.800 3.240 3.024 3.383 . 0 0 "[ . 1 . 2]" 1
317 1 75 GLU H 1 75 GLU HB2 . . 4.020 3.891 3.758 3.930 . 0 0 "[ . 1 . 2]" 1
318 1 69 LEU MD1 1 75 GLU H . . 4.600 3.881 3.753 4.232 . 0 0 "[ . 1 . 2]" 1
319 1 74 LEU HB2 1 75 GLU H . . 4.550 3.896 3.686 3.953 . 0 0 "[ . 1 . 2]" 1
320 1 75 GLU H 1 76 TYR HA . . 5.190 4.843 4.780 4.904 . 0 0 "[ . 1 . 2]" 1
321 1 21 VAL HA 1 42 GLY H . . 4.860 5.075 4.718 5.190 0.330 17 0 "[ . 1 . 2]" 1
322 1 41 PRO HG2 1 42 GLY H . . 4.990 5.030 4.910 5.078 0.088 6 0 "[ . 1 . 2]" 1
323 1 18 PRO HD2 1 95 THR H . . 4.820 4.214 4.077 4.505 . 0 0 "[ . 1 . 2]" 1
324 1 94 MET HG3 1 95 THR H . . 5.100 5.079 4.895 5.171 0.071 13 0 "[ . 1 . 2]" 1
325 1 94 MET H 1 95 THR H . . 5.030 4.357 4.249 4.544 . 0 0 "[ . 1 . 2]" 1
326 1 17 VAL HB 1 100 GLY H . . 4.480 3.318 3.209 3.496 . 0 0 "[ . 1 . 2]" 1
327 1 71 ASN H 1 72 VAL H . . 4.960 2.789 2.730 2.935 . 0 0 "[ . 1 . 2]" 1
328 1 72 VAL H 1 73 THR H . . 3.250 1.831 1.760 1.883 . 0 0 "[ . 1 . 2]" 1
329 1 70 PRO HA 1 72 VAL H . . 5.130 3.883 3.841 3.995 . 0 0 "[ . 1 . 2]" 1
330 1 70 PRO HB2 1 72 VAL H . . 3.610 2.352 2.283 2.574 . 0 0 "[ . 1 . 2]" 1
331 1 63 THR H 1 64 ARG H . . 3.770 2.858 2.336 3.172 . 0 0 "[ . 1 . 2]" 1
332 1 63 THR H 1 63 THR HG1 . . 5.130 2.442 1.944 3.463 . 0 0 "[ . 1 . 2]" 1
333 1 63 THR H 1 64 ARG HB2 . . 5.080 4.174 3.890 4.588 . 0 0 "[ . 1 . 2]" 1
334 1 60 ARG HB3 1 63 THR H . . 4.910 3.396 2.918 4.180 . 0 0 "[ . 1 . 2]" 1
335 1 21 VAL H 1 22 GLY H . . 5.100 4.566 4.522 4.644 . 0 0 "[ . 1 . 2]" 1
336 1 22 GLY H 1 39 GLN H . . 4.660 2.395 2.161 2.934 . 0 0 "[ . 1 . 2]" 1
337 1 50 GLY H 1 71 ASN HA . . 4.620 3.745 3.417 4.096 . 0 0 "[ . 1 . 2]" 1
338 1 49 THR H 1 50 GLY H . . 3.320 2.119 1.868 2.248 . 0 0 "[ . 1 . 2]" 1
339 1 50 GLY H 1 51 TYR H . . 4.940 4.370 4.352 4.395 . 0 0 "[ . 1 . 2]" 1
340 1 50 GLY H 1 94 MET H . . 4.310 3.136 2.959 3.240 . 0 0 "[ . 1 . 2]" 1
341 1 50 GLY H 1 95 THR HA . . 4.490 4.252 3.909 4.573 0.083 9 0 "[ . 1 . 2]" 1
342 1 48 LEU HA 1 50 GLY H . . 4.010 3.596 3.475 3.747 . 0 0 "[ . 1 . 2]" 1
343 1 50 GLY H 1 94 MET HB2 . . 4.360 2.816 2.548 3.113 . 0 0 "[ . 1 . 2]" 1
344 1 50 GLY H 1 94 MET HB3 . . 4.360 4.159 3.950 4.365 0.005 12 0 "[ . 1 . 2]" 1
345 1 49 THR MG 1 50 GLY H . . 4.430 4.166 3.962 4.304 . 0 0 "[ . 1 . 2]" 1
346 1 30 LEU H 1 110 GLY H . . 5.000 3.640 3.314 4.587 . 0 0 "[ . 1 . 2]" 1
347 1 30 LEU H 1 34 LEU HB3 . . 4.540 3.015 2.702 3.198 . 0 0 "[ . 1 . 2]" 1
348 1 29 ILE HB 1 30 LEU H . . 5.060 4.013 3.801 4.132 . 0 0 "[ . 1 . 2]" 1
349 1 98 GLY H 1 99 GLN H . . 5.130 4.170 3.690 4.356 . 0 0 "[ . 1 . 2]" 1
350 1 95 THR H 1 98 GLY H . . 3.970 2.660 2.508 3.112 . 0 0 "[ . 1 . 2]" 1
351 1 17 VAL HB 1 98 GLY H . . 4.790 5.151 4.705 5.484 0.694 3 9 "[**+*. ** 1*- . *2]" 1
352 1 97 LYS HG3 1 98 GLY H . . 4.840 3.276 2.243 5.091 0.251 5 0 "[ . 1 . 2]" 1
353 1 94 MET HA 1 98 GLY H . . 4.900 4.468 4.248 4.959 0.059 18 0 "[ . 1 . 2]" 1
354 1 33 SER QB 1 80 GLY H . . 4.890 3.962 3.295 4.165 . 0 0 "[ . 1 . 2]" 1
355 1 79 THR MG 1 80 GLY H . . 4.150 3.982 3.836 4.152 0.002 12 0 "[ . 1 . 2]" 1
356 1 19 GLY H 1 45 ASN HD21 . . 5.150 3.943 3.298 4.439 . 0 0 "[ . 1 . 2]" 1
357 1 109 SER HG 1 110 GLY H . . 5.240 4.833 2.883 5.196 . 0 0 "[ . 1 . 2]" 1
358 1 109 SER HA 1 110 GLY H . . 3.220 2.415 2.282 3.275 0.055 2 0 "[ . 1 . 2]" 1
359 1 18 PRO HG3 1 19 GLY H . . 4.970 5.009 4.969 5.046 0.076 17 0 "[ . 1 . 2]" 1
360 1 19 GLY H 1 41 PRO HG2 . . 4.530 3.838 3.358 4.107 . 0 0 "[ . 1 . 2]" 1
361 1 32 THR H 1 33 SER H . . 3.170 2.004 1.897 2.214 . 0 0 "[ . 1 . 2]" 1
362 1 24 LEU HA 1 37 SER H . . 5.500 4.417 4.104 4.614 . 0 0 "[ . 1 . 2]" 1
363 1 38 TRP HE1 1 51 TYR HH . . 5.240 4.762 4.335 5.138 . 0 0 "[ . 1 . 2]" 1
364 1 38 TRP HE1 1 51 TYR QE . . 3.780 3.511 3.405 3.603 . 0 0 "[ . 1 . 2]" 1
365 1 55 TRP HH2 1 79 THR H . . 4.020 3.960 3.746 4.056 0.036 12 0 "[ . 1 . 2]" 1
366 1 82 THR H 1 83 ALA H . . 3.500 4.406 4.334 4.484 0.984 10 20 [*********+-*********] 1
367 1 83 ALA H 1 84 LEU H . . 4.680 4.633 4.609 4.648 . 0 0 "[ . 1 . 2]" 1
368 1 89 ILE H 1 105 SER H . . 3.650 2.930 2.599 3.161 . 0 0 "[ . 1 . 2]" 1
369 1 19 GLY H 1 20 PRO HD2 . . 4.800 4.188 4.073 4.338 . 0 0 "[ . 1 . 2]" 1
370 1 19 GLY HA2 1 20 PRO HD2 . . 3.500 3.480 3.379 3.548 0.048 20 0 "[ . 1 . 2]" 1
371 1 19 GLY HA3 1 20 PRO HD2 . . 3.480 2.227 2.206 2.271 . 0 0 "[ . 1 . 2]" 1
372 1 20 PRO HD2 1 101 GLN QB . . 4.010 3.751 3.580 4.045 0.035 20 0 "[ . 1 . 2]" 1
373 1 19 GLY H 1 20 PRO HD3 . . 4.750 4.613 4.551 4.683 . 0 0 "[ . 1 . 2]" 1
374 1 19 GLY HA2 1 20 PRO HD3 . . 3.570 2.672 2.556 2.754 . 0 0 "[ . 1 . 2]" 1
375 1 19 GLY HA3 1 20 PRO HD3 . . 3.630 2.369 2.295 2.479 . 0 0 "[ . 1 . 2]" 1
376 1 21 VAL H 1 21 VAL MG2 . . 3.250 1.971 1.870 2.146 . 0 0 "[ . 1 . 2]" 1
377 1 21 VAL MG2 1 91 VAL H . . 4.940 3.890 3.701 4.156 . 0 0 "[ . 1 . 2]" 1
378 1 21 VAL MG2 1 39 GLN H . . 4.140 3.681 3.424 4.032 . 0 0 "[ . 1 . 2]" 1
379 1 21 VAL MG2 1 22 GLY H . . 3.980 3.327 3.063 3.723 . 0 0 "[ . 1 . 2]" 1
380 1 21 VAL MG2 1 38 TRP HD1 . . 4.160 3.523 3.341 3.673 . 0 0 "[ . 1 . 2]" 1
381 1 20 PRO HA 1 21 VAL MG2 . . 4.140 3.595 3.497 3.718 . 0 0 "[ . 1 . 2]" 1
382 1 21 VAL HA 1 21 VAL MG2 . . 3.700 3.191 3.178 3.202 . 0 0 "[ . 1 . 2]" 1
383 1 21 VAL MG2 1 103 SER HB3 . . 3.650 3.145 2.907 3.427 . 0 0 "[ . 1 . 2]" 1
384 1 21 VAL MG2 1 38 TRP HB3 . . 3.810 2.975 2.661 3.119 . 0 0 "[ . 1 . 2]" 1
385 1 20 PRO QB 1 21 VAL MG2 . . 4.450 3.743 3.656 3.848 . 0 0 "[ . 1 . 2]" 1
386 1 21 VAL MG2 1 41 PRO HG3 . . 4.920 4.733 4.398 4.947 0.027 9 0 "[ . 1 . 2]" 1
387 1 21 VAL MG2 1 93 ALA MB . . 4.210 4.274 4.177 4.359 0.149 14 0 "[ . 1 . 2]" 1
388 1 21 VAL MG2 1 91 VAL HB . . 3.380 2.504 2.358 2.902 . 0 0 "[ . 1 . 2]" 1
389 1 21 VAL MG2 1 91 VAL MG2 . . 3.940 3.617 3.437 3.944 0.004 12 0 "[ . 1 . 2]" 1
390 1 21 VAL MG2 1 91 VAL MG1 . . 3.240 2.079 1.825 2.365 . 0 0 "[ . 1 . 2]" 1
391 1 47 ILE MG 1 48 LEU H . . 3.300 2.773 2.170 3.357 0.057 20 0 "[ . 1 . 2]" 1
392 1 47 ILE H 1 47 ILE MG . . 3.710 3.676 3.621 3.758 0.048 16 0 "[ . 1 . 2]" 1
393 1 47 ILE MG 1 71 ASN HD21 . . 4.730 3.241 2.553 4.499 . 0 0 "[ . 1 . 2]" 1
394 1 47 ILE MG 1 71 ASN HD22 . . 4.850 3.773 2.994 4.526 . 0 0 "[ . 1 . 2]" 1
395 1 47 ILE MG 1 48 LEU HA . . 4.570 4.137 3.797 4.567 . 0 0 "[ . 1 . 2]" 1
396 1 47 ILE MG 1 49 THR HA . . 4.360 3.933 3.745 4.203 . 0 0 "[ . 1 . 2]" 1
397 1 47 ILE HA 1 47 ILE MG . . 2.990 2.512 2.406 2.550 . 0 0 "[ . 1 . 2]" 1
398 1 38 TRP HH2 1 53 ILE MG . . 4.480 3.132 2.925 3.467 . 0 0 "[ . 1 . 2]" 1
399 1 53 ILE MG 1 54 SER HA . . 4.970 3.963 3.777 4.238 . 0 0 "[ . 1 . 2]" 1
400 1 53 ILE HG13 1 53 ILE MG . . 3.730 3.222 3.194 3.241 . 0 0 "[ . 1 . 2]" 1
401 1 53 ILE MG 1 91 VAL MG1 . . 4.850 4.634 4.499 4.875 0.025 14 0 "[ . 1 . 2]" 1
402 1 53 ILE MG 1 69 LEU H . . 5.110 4.465 4.138 4.789 . 0 0 "[ . 1 . 2]" 1
403 1 53 ILE MG 1 67 HIS H . . 3.730 2.978 2.626 3.263 . 0 0 "[ . 1 . 2]" 1
404 1 53 ILE MG 1 54 SER H . . 4.310 3.888 3.762 4.076 . 0 0 "[ . 1 . 2]" 1
405 1 53 ILE H 1 53 ILE MG . . 3.200 1.921 1.879 2.013 . 0 0 "[ . 1 . 2]" 1
406 1 53 ILE MG 1 55 TRP HE3 . . 3.870 3.630 3.268 3.942 0.072 10 0 "[ . 1 . 2]" 1
407 1 53 ILE MG 1 76 TYR QD . . 3.710 3.501 3.120 3.631 . 0 0 "[ . 1 . 2]" 1
408 1 53 ILE MG 1 55 TRP HZ3 . . 3.280 3.201 2.727 3.343 0.063 1 0 "[ . 1 . 2]" 1
409 1 53 ILE MG 1 67 HIS HD2 . . 4.180 3.590 3.120 3.970 . 0 0 "[ . 1 . 2]" 1
410 1 53 ILE MG 1 68 TYR HA . . 4.560 4.060 3.792 4.390 . 0 0 "[ . 1 . 2]" 1
411 1 53 ILE MG 1 76 TYR HB2 . . 4.650 3.626 3.266 3.799 . 0 0 "[ . 1 . 2]" 1
412 1 53 ILE MG 1 67 HIS HB3 . . 3.580 2.663 2.279 3.251 . 0 0 "[ . 1 . 2]" 1
413 1 53 ILE MG 1 67 HIS HB2 . . 3.240 2.047 1.803 2.278 . 0 0 "[ . 1 . 2]" 1
414 1 53 ILE MG 1 69 LEU HG . . 3.660 2.793 2.401 3.184 . 0 0 "[ . 1 . 2]" 1
415 1 53 ILE HG12 1 53 ILE MG . . 3.260 2.431 2.174 2.580 . 0 0 "[ . 1 . 2]" 1
416 1 53 ILE MG 1 69 LEU MD1 . . 2.980 2.149 1.908 2.622 . 0 0 "[ . 1 . 2]" 1
417 1 53 ILE MG 1 91 VAL MG2 . . 4.140 4.101 3.868 4.213 0.073 9 0 "[ . 1 . 2]" 1
418 1 41 PRO HA 1 42 GLY HA2 . . 4.210 4.260 4.253 4.269 0.059 4 0 "[ . 1 . 2]" 1
419 1 53 ILE MD 1 54 SER H . . 4.030 3.976 3.894 4.075 0.045 4 0 "[ . 1 . 2]" 1
420 1 53 ILE MD 1 90 GLU H . . 5.030 5.182 5.137 5.225 0.195 8 0 "[ . 1 . 2]" 1
421 1 53 ILE H 1 53 ILE MD . . 4.400 4.442 4.320 4.503 0.103 19 0 "[ . 1 . 2]" 1
422 1 53 ILE MD 1 55 TRP HE3 . . 3.880 2.765 2.432 3.477 . 0 0 "[ . 1 . 2]" 1
423 1 53 ILE MD 1 76 TYR QD . . 3.200 2.697 2.107 3.028 . 0 0 "[ . 1 . 2]" 1
424 1 38 TRP HZ2 1 53 ILE MD . . 4.670 4.541 4.198 4.752 0.082 10 0 "[ . 1 . 2]" 1
425 1 38 TRP HZ3 1 53 ILE MD . . 3.540 2.127 1.761 2.444 . 0 0 "[ . 1 . 2]" 1
426 1 38 TRP HH2 1 53 ILE MD . . 3.810 2.487 1.970 2.740 . 0 0 "[ . 1 . 2]" 1
427 1 53 ILE HA 1 53 ILE MD . . 3.810 3.774 3.588 3.865 0.055 16 0 "[ . 1 . 2]" 1
428 1 53 ILE MD 1 91 VAL HA . . 4.820 4.464 4.118 4.702 . 0 0 "[ . 1 . 2]" 1
429 1 36 VAL HA 1 53 ILE MD . . 4.860 4.842 4.685 5.051 0.191 15 0 "[ . 1 . 2]" 1
430 1 53 ILE MD 1 75 GLU HA . . 5.160 4.579 4.388 4.736 . 0 0 "[ . 1 . 2]" 1
431 1 53 ILE MD 1 76 TYR HA . . 4.780 4.762 4.425 4.867 0.087 19 0 "[ . 1 . 2]" 1
432 1 53 ILE MD 1 76 TYR HB2 . . 3.830 3.191 2.655 3.435 . 0 0 "[ . 1 . 2]" 1
433 1 53 ILE MD 1 76 TYR HB3 . . 3.420 2.189 1.915 2.278 . 0 0 "[ . 1 . 2]" 1
434 1 36 VAL HB 1 53 ILE MD . . 3.650 2.589 2.294 3.690 0.040 17 0 "[ . 1 . 2]" 1
435 1 53 ILE MD 1 69 LEU HG . . 4.640 4.768 4.719 4.833 0.193 17 0 "[ . 1 . 2]" 1
436 1 53 ILE HB 1 53 ILE MD . . 3.000 2.347 2.083 2.474 . 0 0 "[ . 1 . 2]" 1
437 1 36 VAL QG 1 53 ILE MD . . 2.700 1.892 1.763 1.933 . 0 0 "[ . 1 . 2]" 1
438 1 53 ILE MD 1 78 VAL QG . . 3.200 2.705 2.446 3.301 0.101 14 0 "[ . 1 . 2]" 1
439 1 53 ILE MD 1 91 VAL MG2 . . 3.120 2.588 2.222 2.806 . 0 0 "[ . 1 . 2]" 1
440 1 53 ILE MD 1 91 VAL MG1 . . 4.060 3.930 3.505 4.108 0.048 14 0 "[ . 1 . 2]" 1
441 1 79 THR HB 1 80 GLY HA2 . . 4.590 4.478 4.397 4.622 0.032 12 0 "[ . 1 . 2]" 1
442 1 27 SER H 1 29 ILE MD . . 4.280 3.969 3.818 4.164 . 0 0 "[ . 1 . 2]" 1
443 1 29 ILE MD 1 30 LEU H . . 4.550 4.743 4.514 4.843 0.293 14 0 "[ . 1 . 2]" 1
444 1 29 ILE MD 1 35 LYS H . . 4.780 4.435 3.960 4.667 . 0 0 "[ . 1 . 2]" 1
445 1 29 ILE H 1 29 ILE MD . . 3.910 3.844 3.775 3.902 . 0 0 "[ . 1 . 2]" 1
446 1 29 ILE MD 1 108 SER H . . 4.930 4.624 4.321 4.868 . 0 0 "[ . 1 . 2]" 1
447 1 26 PHE QD 1 29 ILE MD . . 3.750 3.370 3.197 3.533 . 0 0 "[ . 1 . 2]" 1
448 1 26 PHE HA 1 29 ILE MD . . 4.360 4.021 3.837 4.447 0.087 17 0 "[ . 1 . 2]" 1
449 1 29 ILE MD 1 34 LEU HA . . 4.370 4.397 4.320 4.548 0.178 2 0 "[ . 1 . 2]" 1
450 1 27 SER HA 1 29 ILE MD . . 4.050 3.950 3.736 4.133 0.083 17 0 "[ . 1 . 2]" 1
451 1 29 ILE MD 1 107 ILE HA . . 4.840 4.823 4.634 4.964 0.124 2 0 "[ . 1 . 2]" 1
452 1 29 ILE MD 1 109 SER HA . . 4.640 3.906 3.602 4.077 . 0 0 "[ . 1 . 2]" 1
453 1 29 ILE HA 1 29 ILE MD . . 3.770 3.600 3.522 3.699 . 0 0 "[ . 1 . 2]" 1
454 1 26 PHE HB2 1 29 ILE MD . . 3.200 2.420 2.168 2.712 . 0 0 "[ . 1 . 2]" 1
455 1 29 ILE MD 1 34 LEU HB3 . . 4.100 3.118 2.919 3.274 . 0 0 "[ . 1 . 2]" 1
456 1 29 ILE HB 1 29 ILE MD . . 3.000 2.578 2.475 2.643 . 0 0 "[ . 1 . 2]" 1
457 1 29 ILE MD 1 107 ILE MD . . 2.970 1.909 1.668 2.237 . 0 0 "[ . 1 . 2]" 1
458 1 29 ILE MD 1 34 LEU QD . . 3.760 2.264 2.006 2.407 . 0 0 "[ . 1 . 2]" 1
459 1 107 ILE MD 1 108 SER H . . 3.560 2.362 2.082 3.144 . 0 0 "[ . 1 . 2]" 1
460 1 26 PHE QD 1 107 ILE MD . . 3.540 2.228 1.964 3.207 . 0 0 "[ . 1 . 2]" 1
461 1 107 ILE MD 1 108 SER HA . . 5.170 4.529 3.574 4.977 . 0 0 "[ . 1 . 2]" 1
462 1 107 ILE HA 1 107 ILE MD . . 3.180 2.362 2.161 3.333 0.153 5 0 "[ . 1 . 2]" 1
463 1 107 ILE MD 1 108 SER HB2 . . 4.990 5.024 4.733 5.113 0.123 5 0 "[ . 1 . 2]" 1
464 1 26 PHE HB2 1 107 ILE MD . . 3.810 2.955 2.415 3.767 . 0 0 "[ . 1 . 2]" 1
465 1 87 TYR H 1 89 ILE MD . . 4.990 4.932 4.631 5.080 0.090 1 0 "[ . 1 . 2]" 1
466 1 88 THR H 1 89 ILE MD . . 4.520 3.284 2.932 3.737 . 0 0 "[ . 1 . 2]" 1
467 1 89 ILE H 1 89 ILE MD . . 3.580 2.870 2.585 3.180 . 0 0 "[ . 1 . 2]" 1
468 1 56 GLU H 1 89 ILE MD . . 4.410 2.836 2.519 3.638 . 0 0 "[ . 1 . 2]" 1
469 1 26 PHE QE 1 89 ILE MD . . 3.140 4.066 3.660 4.358 1.218 7 20 [****-*+*************] 1
470 1 26 PHE HZ 1 89 ILE MD . . 3.660 4.275 4.001 4.892 1.232 19 15 "[*********-*** .* +2]" 1
471 1 55 TRP HA 1 89 ILE MD . . 4.090 1.934 1.889 2.175 . 0 0 "[ . 1 . 2]" 1
472 1 89 ILE HA 1 89 ILE MD . . 3.540 1.910 1.874 1.982 . 0 0 "[ . 1 . 2]" 1
473 1 88 THR HA 1 89 ILE MD . . 4.570 3.521 3.280 4.161 . 0 0 "[ . 1 . 2]" 1
474 1 55 TRP HB3 1 89 ILE MD . . 3.560 2.082 1.731 2.361 . 0 0 "[ . 1 . 2]" 1
475 1 87 TYR HB3 1 89 ILE MD . . 3.310 2.321 2.114 2.502 . 0 0 "[ . 1 . 2]" 1
476 1 87 TYR HB2 1 89 ILE MD . . 3.730 3.502 3.267 3.753 0.023 2 0 "[ . 1 . 2]" 1
477 1 89 ILE HB 1 89 ILE MD . . 3.170 3.192 3.178 3.212 0.042 19 0 "[ . 1 . 2]" 1
478 1 81 LEU MD2 1 89 ILE MD . . 4.300 2.995 2.820 3.235 . 0 0 "[ . 1 . 2]" 1
479 1 78 VAL QG 1 89 ILE MD . . 3.490 2.530 2.296 2.726 . 0 0 "[ . 1 . 2]" 1
480 1 50 GLY HA3 1 51 TYR H . . 3.530 2.586 2.456 2.693 . 0 0 "[ . 1 . 2]" 1
481 1 50 GLY HA3 1 51 TYR HA . . 5.110 4.380 4.358 4.440 . 0 0 "[ . 1 . 2]" 1
482 1 50 GLY HA3 1 71 ASN HA . . 4.290 4.383 4.336 4.426 0.136 13 0 "[ . 1 . 2]" 1
483 1 50 GLY HA3 1 71 ASN HB3 . . 4.690 4.361 4.229 4.527 . 0 0 "[ . 1 . 2]" 1
484 1 50 GLY HA3 1 94 MET HB3 . . 5.130 4.427 4.043 5.080 . 0 0 "[ . 1 . 2]" 1
485 1 50 GLY HA2 1 69 LEU H . . 5.200 4.801 4.511 5.087 . 0 0 "[ . 1 . 2]" 1
486 1 49 THR H 1 50 GLY HA2 . . 5.160 4.719 4.436 4.823 . 0 0 "[ . 1 . 2]" 1
487 1 50 GLY HA2 1 51 TYR H . . 3.610 2.656 2.548 2.799 . 0 0 "[ . 1 . 2]" 1
488 1 50 GLY HA2 1 71 ASN HB3 . . 4.530 3.234 3.010 3.547 . 0 0 "[ . 1 . 2]" 1
489 1 50 GLY HA3 1 70 PRO HA . . 4.570 3.117 2.769 3.321 . 0 0 "[ . 1 . 2]" 1
490 1 19 GLY HA3 1 20 PRO QG . . 4.310 3.989 3.949 4.052 . 0 0 "[ . 1 . 2]" 1
491 1 19 GLY HA3 1 101 GLN QB . . 4.860 3.243 3.108 3.331 . 0 0 "[ . 1 . 2]" 1
492 1 115 GLY HA2 1 116 PRO QD . . 2.950 2.225 1.924 3.343 0.393 9 0 "[ . 1 . 2]" 1
493 1 30 LEU H 1 34 LEU HB2 . . 4.700 4.311 3.907 4.651 . 0 0 "[ . 1 . 2]" 1
494 1 29 ILE MG 1 34 LEU HB2 . . 4.050 2.546 2.211 2.857 . 0 0 "[ . 1 . 2]" 1
495 1 18 PRO HD3 1 100 GLY HA2 . . 4.440 4.799 4.654 5.047 0.607 20 3 "[ - 1 * +]" 1
496 1 17 VAL HB 1 100 GLY HA3 . . 4.270 2.247 2.073 2.461 . 0 0 "[ . 1 . 2]" 1
497 1 98 GLY HA2 1 99 GLN H . . 3.490 3.090 2.878 3.446 . 0 0 "[ . 1 . 2]" 1
498 1 29 ILE MG 1 110 GLY HA2 . . 3.880 3.261 2.410 3.607 . 0 0 "[ . 1 . 2]" 1
499 1 110 GLY HA2 1 111 VAL HB . . 4.460 4.319 4.251 4.353 . 0 0 "[ . 1 . 2]" 1
500 1 46 GLY HA2 1 47 ILE H . . 3.370 2.923 2.531 3.245 . 0 0 "[ . 1 . 2]" 1
501 1 98 GLY HA3 1 99 GLN HB2 . . 4.880 4.766 4.527 4.890 0.010 10 0 "[ . 1 . 2]" 1
502 1 46 GLY HA2 1 47 ILE MD . . 4.840 4.030 2.333 4.350 . 0 0 "[ . 1 . 2]" 1
503 1 46 GLY HA2 1 47 ILE HB . . 4.820 4.750 4.686 4.873 0.053 16 0 "[ . 1 . 2]" 1
504 1 46 GLY HA2 1 47 ILE QG . . 4.880 3.818 3.648 4.348 . 0 0 "[ . 1 . 2]" 1
505 1 84 LEU MD2 1 110 GLY HA3 . . 4.810 4.485 4.442 4.532 . 0 0 "[ . 1 . 2]" 1
506 1 46 GLY HA3 1 47 ILE H . . 3.390 2.397 2.206 2.711 . 0 0 "[ . 1 . 2]" 1
507 1 46 GLY HA3 1 47 ILE QG . . 4.950 4.543 4.217 5.000 0.050 20 0 "[ . 1 . 2]" 1
508 1 51 TYR HB2 1 69 LEU QB . . 4.130 2.483 2.330 2.752 . 0 0 "[ . 1 . 2]" 1
509 1 69 LEU QB 1 76 TYR QD . . 5.340 4.529 4.023 4.809 . 0 0 "[ . 1 . 2]" 1
510 1 46 GLY HA3 1 47 ILE MD . . 4.910 4.705 3.186 4.970 0.060 15 0 "[ . 1 . 2]" 1
511 1 57 GLU HB2 1 60 ARG HD2 . . 4.010 3.326 2.404 4.151 0.141 19 0 "[ . 1 . 2]" 1
512 1 57 GLU HB3 1 60 ARG HD2 . . 4.010 2.759 1.987 3.851 . 0 0 "[ . 1 . 2]" 1
513 1 60 ARG HB2 1 60 ARG HD2 . . 3.710 3.104 2.740 3.569 . 0 0 "[ . 1 . 2]" 1
514 1 60 ARG HB3 1 60 ARG HD2 . . 3.660 3.610 3.299 3.815 0.155 20 0 "[ . 1 . 2]" 1
515 1 60 ARG HD2 1 63 THR MG . . 3.900 3.928 3.706 4.025 0.125 14 0 "[ . 1 . 2]" 1
516 1 60 ARG H 1 60 ARG HD2 . . 5.110 5.022 4.720 5.220 0.110 1 0 "[ . 1 . 2]" 1
517 1 57 GLU HB2 1 60 ARG HD3 . . 4.090 3.080 2.042 3.842 . 0 0 "[ . 1 . 2]" 1
518 1 57 GLU HB3 1 60 ARG HD3 . . 4.060 3.463 2.583 4.097 0.037 5 0 "[ . 1 . 2]" 1
519 1 60 ARG HB2 1 60 ARG HD3 . . 3.730 2.511 2.328 2.845 . 0 0 "[ . 1 . 2]" 1
520 1 60 ARG HB3 1 60 ARG HD3 . . 3.700 2.477 2.340 2.835 . 0 0 "[ . 1 . 2]" 1
521 1 60 ARG HD3 1 63 THR MG . . 3.890 2.621 2.236 3.280 . 0 0 "[ . 1 . 2]" 1
522 1 51 TYR HB3 1 69 LEU QB . . 4.220 3.965 3.659 4.255 0.035 3 0 "[ . 1 . 2]" 1
523 1 38 TRP HZ2 1 51 TYR HB2 . . 4.620 2.608 2.358 2.918 . 0 0 "[ . 1 . 2]" 1
524 1 51 TYR HB2 1 91 VAL MG1 . . 4.750 4.305 4.000 4.596 . 0 0 "[ . 1 . 2]" 1
525 1 30 LEU HB2 1 31 ASP H . . 3.890 2.188 2.134 2.235 . 0 0 "[ . 1 . 2]" 1
526 1 30 LEU HB3 1 31 ASP H . . 3.800 1.894 1.839 1.973 . 0 0 "[ . 1 . 2]" 1
527 1 12 ARG HB2 1 12 ARG QD . . 3.690 2.383 1.963 2.909 . 0 0 "[ . 1 . 2]" 1
528 1 64 ARG H 1 64 ARG HD3 . . 4.800 4.946 4.616 5.448 0.648 7 4 "[-* . + 1 .* 2]" 1
529 1 64 ARG HB2 1 64 ARG HD3 . . 4.050 3.397 1.994 4.022 . 0 0 "[ . 1 . 2]" 1
530 1 56 GLU HB3 1 64 ARG HD3 . . 5.070 4.475 2.223 5.133 0.063 3 0 "[ . 1 . 2]" 1
531 1 64 ARG HB3 1 64 ARG HD3 . . 3.820 2.745 2.070 3.258 . 0 0 "[ . 1 . 2]" 1
532 1 64 ARG HD3 1 65 VAL H . . 4.960 3.610 2.238 5.094 0.134 18 0 "[ . 1 . 2]" 1
533 1 64 ARG HA 1 64 ARG HD3 . . 4.780 4.016 3.467 4.789 0.009 18 0 "[ . 1 . 2]" 1
534 1 54 SER QB 1 64 ARG HD2 . . 4.660 3.747 2.310 4.274 . 0 0 "[ . 1 . 2]" 1
535 1 64 ARG HB2 1 64 ARG HD2 . . 4.040 3.220 2.770 4.100 0.060 18 0 "[ . 1 . 2]" 1
536 1 56 GLU HB3 1 64 ARG HD2 . . 5.150 4.494 2.053 5.235 0.085 8 0 "[ . 1 . 2]" 1
537 1 51 TYR HB2 1 69 LEU MD1 . . 4.400 3.110 2.920 3.319 . 0 0 "[ . 1 . 2]" 1
538 1 38 TRP HZ3 1 76 TYR HB2 . . 4.690 4.037 3.714 4.410 . 0 0 "[ . 1 . 2]" 1
539 1 38 TRP HH2 1 76 TYR HB2 . . 4.080 2.807 2.599 3.033 . 0 0 "[ . 1 . 2]" 1
540 1 12 ARG HB3 1 12 ARG QD . . 3.720 2.591 2.041 3.352 . 0 0 "[ . 1 . 2]" 1
541 1 38 TRP HZ3 1 76 TYR HB3 . . 4.590 3.135 3.007 3.288 . 0 0 "[ . 1 . 2]" 1
542 1 38 TRP HH2 1 76 TYR HB3 . . 4.110 2.949 2.647 3.207 . 0 0 "[ . 1 . 2]" 1
543 1 36 VAL HB 1 76 TYR HB3 . . 4.900 3.370 2.980 5.259 0.359 15 0 "[ . 1 . 2]" 1
544 1 52 ARG HD3 1 53 ILE H . . 5.200 5.271 5.059 5.681 0.481 15 0 "[ . 1 . 2]" 1
545 1 52 ARG HD3 1 68 TYR QE . . 4.980 2.724 1.977 4.069 . 0 0 "[ . 1 . 2]" 1
546 1 41 PRO HD2 1 44 LYS HE2 . . 4.720 3.821 3.103 4.429 . 0 0 "[ . 1 . 2]" 1
547 1 41 PRO HD2 1 44 LYS HE3 . . 4.540 2.981 2.397 4.244 . 0 0 "[ . 1 . 2]" 1
548 1 44 LYS HE3 1 48 LEU QD . . 3.640 2.835 2.549 3.717 0.077 13 0 "[ . 1 . 2]" 1
549 1 77 ARG HD2 1 78 VAL H . . 5.160 4.639 2.948 5.241 0.081 17 0 "[ . 1 . 2]" 1
550 1 35 LYS HA 1 77 ARG HD2 . . 5.070 5.163 3.773 5.611 0.541 13 2 "[ . 1 + . -2]" 1
551 1 77 ARG HA 1 77 ARG HD2 . . 4.440 4.272 3.436 4.561 0.121 12 0 "[ . 1 . 2]" 1
552 1 33 SER QB 1 77 ARG HD2 . . 4.830 3.630 3.088 4.334 . 0 0 "[ . 1 . 2]" 1
553 1 77 ARG HB2 1 77 ARG HD2 . . 3.280 3.418 2.759 3.573 0.293 12 0 "[ . 1 . 2]" 1
554 1 77 ARG HB3 1 77 ARG HD2 . . 3.880 3.321 1.976 4.127 0.247 17 0 "[ . 1 . 2]" 1
555 1 77 ARG HD3 1 78 VAL H . . 5.200 4.321 3.098 5.236 0.036 2 0 "[ . 1 . 2]" 1
556 1 77 ARG HA 1 77 ARG HD3 . . 4.470 3.744 3.207 4.212 . 0 0 "[ . 1 . 2]" 1
557 1 33 SER QB 1 77 ARG HD3 . . 4.900 3.961 1.952 4.746 . 0 0 "[ . 1 . 2]" 1
558 1 40 GLU QG 1 44 LYS HE2 . . 3.860 2.291 1.961 2.813 . 0 0 "[ . 1 . 2]" 1
559 1 40 GLU HB2 1 44 LYS HE2 . . 3.980 3.992 3.576 4.194 0.214 18 0 "[ . 1 . 2]" 1
560 1 40 GLU HB3 1 44 LYS HE2 . . 3.740 3.018 2.428 3.796 0.056 13 0 "[ . 1 . 2]" 1
561 1 44 LYS HE2 1 44 LYS HG3 . . 3.760 3.743 3.477 3.855 0.095 11 0 "[ . 1 . 2]" 1
562 1 44 LYS HE2 1 44 LYS HG2 . . 3.800 3.189 2.614 3.822 0.022 6 0 "[ . 1 . 2]" 1
563 1 44 LYS HE2 1 48 LEU QD . . 3.720 2.477 1.792 2.726 . 0 0 "[ . 1 . 2]" 1
564 1 44 LYS HA 1 44 LYS HE3 . . 4.840 4.618 4.389 4.954 0.114 6 0 "[ . 1 . 2]" 1
565 1 40 GLU HB2 1 44 LYS HE3 . . 4.100 3.680 3.460 4.300 0.200 13 0 "[ . 1 . 2]" 1
566 1 40 GLU HB3 1 44 LYS HE3 . . 3.940 2.132 1.956 3.229 . 0 0 "[ . 1 . 2]" 1
567 1 44 LYS HE3 1 44 LYS HG3 . . 3.830 2.614 2.249 2.794 . 0 0 "[ . 1 . 2]" 1
568 1 35 LYS HA 1 77 ARG HD3 . . 5.030 4.420 3.717 5.156 0.126 14 0 "[ . 1 . 2]" 1
569 1 97 LYS H 1 97 LYS QE . . 5.000 4.386 1.901 5.099 0.099 5 0 "[ . 1 . 2]" 1
570 1 26 PHE HB3 1 27 SER H . . 4.720 3.236 2.665 3.491 . 0 0 "[ . 1 . 2]" 1
571 1 26 PHE HB3 1 29 ILE MD . . 4.060 1.990 1.818 2.379 . 0 0 "[ . 1 . 2]" 1
572 1 26 PHE HB2 1 34 LEU QD . . 4.560 4.073 3.637 4.258 . 0 0 "[ . 1 . 2]" 1
573 1 16 ASP HB3 1 17 VAL MG2 . . 5.040 3.539 3.324 3.802 . 0 0 "[ . 1 . 2]" 1
574 1 24 LEU HB2 1 25 SER H . . 5.000 4.365 4.233 4.470 . 0 0 "[ . 1 . 2]" 1
575 1 24 LEU HB2 1 24 LEU QD . . 3.220 2.311 2.019 2.455 . 0 0 "[ . 1 . 2]" 1
576 1 24 LEU HB3 1 25 SER H . . 5.270 3.275 3.070 3.486 . 0 0 "[ . 1 . 2]" 1
577 1 24 LEU HB3 1 24 LEU QD . . 3.210 2.135 2.056 2.197 . 0 0 "[ . 1 . 2]" 1
578 1 97 LYS HA 1 97 LYS QE . . 4.170 3.424 1.792 4.373 0.203 18 0 "[ . 1 . 2]" 1
579 1 97 LYS HB3 1 97 LYS QE . . 3.970 3.526 2.127 4.250 0.280 4 0 "[ . 1 . 2]" 1
580 1 97 LYS HB2 1 97 LYS QE . . 4.140 3.715 1.986 4.285 0.145 18 0 "[ . 1 . 2]" 1
581 1 97 LYS QE 1 97 LYS HG2 . . 3.310 2.778 2.203 3.351 0.041 5 0 "[ . 1 . 2]" 1
582 1 97 LYS QE 1 97 LYS HG3 . . 3.340 2.480 1.955 3.369 0.029 16 0 "[ . 1 . 2]" 1
583 1 17 VAL MG1 1 97 LYS QE . . 4.280 2.866 1.815 4.452 0.172 16 0 "[ . 1 . 2]" 1
584 1 16 ASP HB2 1 17 VAL H . . 4.160 3.514 3.332 3.929 . 0 0 "[ . 1 . 2]" 1
585 1 16 ASP H 1 16 ASP HB3 . . 4.170 2.657 2.525 3.020 . 0 0 "[ . 1 . 2]" 1
586 1 16 ASP HB3 1 97 LYS QD . . 4.890 2.933 2.502 3.844 . 0 0 "[ . 1 . 2]" 1
587 1 16 ASP HB3 1 17 VAL H . . 4.030 2.223 1.959 3.046 . 0 0 "[ . 1 . 2]" 1
588 1 16 ASP HB3 1 97 LYS HG2 . . 4.940 3.048 2.032 4.455 . 0 0 "[ . 1 . 2]" 1
589 1 16 ASP HB3 1 17 VAL MG1 . . 4.780 3.258 3.069 3.392 . 0 0 "[ . 1 . 2]" 1
590 1 35 LYS QE 1 76 TYR H . . 4.910 3.945 2.623 4.775 . 0 0 "[ . 1 . 2]" 1
591 1 35 LYS QE 1 36 VAL H . . 5.160 3.921 2.837 4.670 . 0 0 "[ . 1 . 2]" 1
592 1 35 LYS H 1 35 LYS QE . . 5.190 5.130 4.566 5.535 0.345 14 0 "[ . 1 . 2]" 1
593 1 35 LYS HA 1 35 LYS QE . . 4.590 4.184 2.976 4.655 0.065 11 0 "[ . 1 . 2]" 1
594 1 35 LYS QE 1 75 GLU HA . . 4.710 4.336 3.492 5.021 0.311 5 0 "[ . 1 . 2]" 1
595 1 35 LYS QE 1 37 SER QB . . 4.170 2.995 1.794 4.297 0.127 12 0 "[ . 1 . 2]" 1
596 1 35 LYS HB3 1 35 LYS QE . . 3.750 3.026 2.355 4.199 0.449 12 0 "[ . 1 . 2]" 1
597 1 35 LYS QE 1 75 GLU HB3 . . 3.670 3.379 2.859 3.823 0.153 1 0 "[ . 1 . 2]" 1
598 1 35 LYS QE 1 75 GLU HB2 . . 3.680 2.306 1.756 2.743 . 0 0 "[ . 1 . 2]" 1
599 1 48 LEU HB3 1 71 ASN HB3 . . 4.660 3.747 2.773 4.354 . 0 0 "[ . 1 . 2]" 1
600 1 48 LEU HB3 1 48 LEU QD . . 3.120 2.271 2.067 2.479 . 0 0 "[ . 1 . 2]" 1
601 1 48 LEU HB3 1 49 THR H . . 4.750 3.166 2.791 3.418 . 0 0 "[ . 1 . 2]" 1
602 1 48 LEU HB3 1 50 GLY H . . 4.870 2.932 2.749 3.079 . 0 0 "[ . 1 . 2]" 1
603 1 48 LEU HB2 1 49 THR H . . 4.500 3.999 3.796 4.240 . 0 0 "[ . 1 . 2]" 1
604 1 48 LEU H 1 48 LEU HB2 . . 3.950 2.663 2.508 2.924 . 0 0 "[ . 1 . 2]" 1
605 1 48 LEU HB2 1 50 GLY H . . 4.480 3.838 3.344 4.228 . 0 0 "[ . 1 . 2]" 1
606 1 48 LEU HB2 1 48 LEU QD . . 3.130 2.158 2.022 2.333 . 0 0 "[ . 1 . 2]" 1
607 1 73 THR HA 1 74 LEU HB2 . . 5.150 4.781 4.732 4.809 . 0 0 "[ . 1 . 2]" 1
608 1 74 LEU HB3 1 75 GLU H . . 4.860 4.597 4.513 4.623 . 0 0 "[ . 1 . 2]" 1
609 1 53 ILE HB 1 76 TYR HB3 . . 5.240 4.518 4.187 4.720 . 0 0 "[ . 1 . 2]" 1
610 1 53 ILE HB 1 91 VAL MG2 . . 3.990 2.919 2.596 3.124 . 0 0 "[ . 1 . 2]" 1
611 1 53 ILE HB 1 91 VAL MG1 . . 4.840 3.485 3.317 3.723 . 0 0 "[ . 1 . 2]" 1
612 1 95 THR HB 1 96 SER H . . 4.210 1.918 1.867 2.010 . 0 0 "[ . 1 . 2]" 1
613 1 107 ILE HB 1 108 SER H . . 4.240 4.148 4.000 4.322 0.082 5 0 "[ . 1 . 2]" 1
614 1 26 PHE QE 1 107 ILE HB . . 4.460 2.264 1.989 3.303 . 0 0 "[ . 1 . 2]" 1
615 1 29 ILE MD 1 107 ILE HB . . 4.540 4.101 3.947 4.552 0.012 5 0 "[ . 1 . 2]" 1
616 1 49 THR H 1 95 THR HB . . 5.190 4.851 4.155 5.229 0.039 7 0 "[ . 1 . 2]" 1
617 1 84 LEU HB3 1 84 LEU MD1 . . 3.360 2.263 2.137 2.429 . 0 0 "[ . 1 . 2]" 1
618 1 79 THR HB 1 80 GLY H . . 3.300 2.957 2.722 3.166 . 0 0 "[ . 1 . 2]" 1
619 1 79 THR HB 1 81 LEU H . . 4.850 4.932 4.839 5.035 0.185 12 0 "[ . 1 . 2]" 1
620 1 79 THR HB 1 80 GLY HA3 . . 4.680 4.578 4.462 4.792 0.112 14 0 "[ . 1 . 2]" 1
621 1 33 SER HA 1 79 THR HB . . 4.900 4.411 4.148 5.077 0.177 10 0 "[ . 1 . 2]" 1
622 1 33 SER QB 1 79 THR HB . . 4.970 3.311 2.623 3.651 . 0 0 "[ . 1 . 2]" 1
623 1 66 THR HB 1 67 HIS H . . 4.770 4.503 4.309 4.604 . 0 0 "[ . 1 . 2]" 1
624 1 66 THR H 1 66 THR HB . . 3.360 2.647 2.562 2.754 . 0 0 "[ . 1 . 2]" 1
625 1 32 THR HA 1 81 LEU HB3 . . 4.010 3.615 2.591 3.728 . 0 0 "[ . 1 . 2]" 1
626 1 66 THR HB 1 68 TYR QE . . 5.280 4.963 4.359 5.342 0.062 9 0 "[ . 1 . 2]" 1
627 1 89 ILE H 1 89 ILE HB . . 3.630 2.646 2.578 2.698 . 0 0 "[ . 1 . 2]" 1
628 1 36 VAL QG 1 89 ILE HB . . 4.590 2.794 2.483 3.472 . 0 0 "[ . 1 . 2]" 1
629 1 89 ILE HB 1 105 SER H . . 4.540 3.697 3.357 3.820 . 0 0 "[ . 1 . 2]" 1
630 1 26 PHE QE 1 89 ILE HB . . 4.040 2.402 2.156 2.663 . 0 0 "[ . 1 . 2]" 1
631 1 26 PHE HZ 1 89 ILE HB . . 3.990 2.231 1.950 2.489 . 0 0 "[ . 1 . 2]" 1
632 1 82 THR HB 1 87 TYR QE . . 5.020 2.136 1.988 2.602 . 0 0 "[ . 1 . 2]" 1
633 1 106 THR H 1 106 THR HB . . 3.540 2.785 2.654 2.865 . 0 0 "[ . 1 . 2]" 1
634 1 106 THR HB 1 107 ILE HA . . 4.810 4.427 4.406 4.465 . 0 0 "[ . 1 . 2]" 1
635 1 68 TYR HB2 1 94 MET ME . . 5.040 4.599 3.757 5.333 0.293 20 0 "[ . 1 . 2]" 1
636 1 82 THR HB 1 83 ALA H . . 4.020 3.958 3.729 4.071 0.051 8 0 "[ . 1 . 2]" 1
637 1 82 THR H 1 82 THR HB . . 3.460 2.790 2.625 2.974 . 0 0 "[ . 1 . 2]" 1
638 1 82 THR HB 1 85 THR MG . . 3.820 2.053 1.961 2.274 . 0 0 "[ . 1 . 2]" 1
639 1 31 ASP HB3 1 83 ALA HA . . 4.310 3.749 3.376 3.972 . 0 0 "[ . 1 . 2]" 1
640 1 31 ASP HB3 1 112 PRO HD2 . . 4.940 4.048 3.851 4.171 . 0 0 "[ . 1 . 2]" 1
641 1 31 ASP HB2 1 112 PRO HD2 . . 5.010 4.682 4.058 5.063 0.053 1 0 "[ . 1 . 2]" 1
642 1 31 ASP HB2 1 112 PRO HA . . 4.360 3.437 3.258 3.597 . 0 0 "[ . 1 . 2]" 1
643 1 32 THR HB 1 80 GLY H . . 4.470 3.172 2.658 3.484 . 0 0 "[ . 1 . 2]" 1
644 1 32 THR HB 1 81 LEU H . . 3.900 2.468 2.054 2.806 . 0 0 "[ . 1 . 2]" 1
645 1 32 THR HB 1 81 LEU HG . . 4.930 4.257 3.830 5.004 0.074 10 0 "[ . 1 . 2]" 1
646 1 85 THR HB 1 109 SER HG . . 4.220 2.934 2.616 3.283 . 0 0 "[ . 1 . 2]" 1
647 1 85 THR HB 1 109 SER QB . . 5.090 3.739 3.206 4.009 . 0 0 "[ . 1 . 2]" 1
648 1 85 THR HB 1 109 SER H . . 5.050 4.201 4.103 4.484 . 0 0 "[ . 1 . 2]" 1
649 1 85 THR HB 1 87 TYR QE . . 3.690 2.150 1.991 2.637 . 0 0 "[ . 1 . 2]" 1
650 1 83 ALA MB 1 85 THR HB . . 5.250 5.081 4.937 5.186 . 0 0 "[ . 1 . 2]" 1
651 1 82 THR MG 1 85 THR HB . . 4.590 3.181 2.672 3.561 . 0 0 "[ . 1 . 2]" 1
652 1 58 TYR HB3 1 59 ASN H . . 5.140 2.177 2.073 2.649 . 0 0 "[ . 1 . 2]" 1
653 1 58 TYR H 1 58 TYR HB3 . . 3.860 2.205 2.066 2.340 . 0 0 "[ . 1 . 2]" 1
654 1 58 TYR HB3 1 106 THR MG . . 5.170 5.109 4.610 5.231 0.061 10 0 "[ . 1 . 2]" 1
655 1 58 TYR HB3 1 86 THR MG . . 4.080 3.911 3.611 4.144 0.064 15 0 "[ . 1 . 2]" 1
656 1 58 TYR HB2 1 59 ASN H . . 5.020 3.682 3.614 4.009 . 0 0 "[ . 1 . 2]" 1
657 1 58 TYR HB2 1 86 THR HB . . 4.390 2.049 1.957 2.461 . 0 0 "[ . 1 . 2]" 1
658 1 56 GLU H 1 88 THR HB . . 4.410 4.164 3.535 4.479 0.069 15 0 "[ . 1 . 2]" 1
659 1 58 TYR QD 1 59 ASN H . . 4.500 2.811 2.555 3.534 . 0 0 "[ . 1 . 2]" 1
660 1 58 TYR H 1 58 TYR QD . . 4.400 4.052 3.961 4.090 . 0 0 "[ . 1 . 2]" 1
661 1 88 THR H 1 88 THR HB . . 3.480 2.402 2.295 2.505 . 0 0 "[ . 1 . 2]" 1
662 1 88 THR HB 1 89 ILE H . . 4.680 4.631 4.537 4.699 0.019 10 0 "[ . 1 . 2]" 1
663 1 58 TYR QD 1 88 THR HB . . 5.260 5.158 4.870 5.521 0.261 14 0 "[ . 1 . 2]" 1
664 1 56 GLU HG2 1 88 THR HB . . 3.660 3.356 2.810 3.881 0.221 2 0 "[ . 1 . 2]" 1
665 1 56 GLU HG3 1 88 THR HB . . 3.850 3.375 2.621 3.888 0.038 9 0 "[ . 1 . 2]" 1
666 1 47 ILE HB 1 48 LEU H . . 4.580 4.450 4.245 4.620 0.040 1 0 "[ . 1 . 2]" 1
667 1 47 ILE H 1 47 ILE HB . . 3.350 2.405 2.245 2.591 . 0 0 "[ . 1 . 2]" 1
668 1 68 TYR QD 1 69 LEU H . . 4.830 3.823 3.375 4.491 . 0 0 "[ . 1 . 2]" 1
669 1 68 TYR QD 1 94 MET ME . . 3.920 2.157 1.886 2.672 . 0 0 "[ . 1 . 2]" 1
670 1 52 ARG HB2 1 68 TYR QD . . 4.610 3.358 2.628 3.903 . 0 0 "[ . 1 . 2]" 1
671 1 13 THR HA 1 13 THR HB . . 2.950 2.526 2.410 2.588 . 0 0 "[ . 1 . 2]" 1
672 1 38 TRP HH2 1 76 TYR QD . . 4.770 4.463 4.216 4.560 . 0 0 "[ . 1 . 2]" 1
673 1 69 LEU HA 1 73 THR HB . . 4.960 4.479 4.410 4.540 . 0 0 "[ . 1 . 2]" 1
674 1 76 TYR QD 1 78 VAL HB . . 4.800 4.660 3.672 4.877 0.077 11 0 "[ . 1 . 2]" 1
675 1 36 VAL QG 1 76 TYR QD . . 4.870 3.712 2.962 4.021 . 0 0 "[ . 1 . 2]" 1
676 1 73 THR H 1 73 THR HB . . 3.180 2.304 2.205 2.382 . 0 0 "[ . 1 . 2]" 1
677 1 72 VAL H 1 73 THR HB . . 4.500 3.848 3.771 3.928 . 0 0 "[ . 1 . 2]" 1
678 1 73 THR HB 1 75 GLU H . . 4.430 4.453 4.397 4.582 0.152 15 0 "[ . 1 . 2]" 1
679 1 51 TYR HB2 1 73 THR HB . . 5.240 5.175 4.858 5.291 0.051 3 0 "[ . 1 . 2]" 1
680 1 69 LEU QB 1 73 THR HB . . 3.650 2.539 2.453 2.618 . 0 0 "[ . 1 . 2]" 1
681 1 69 LEU MD2 1 73 THR HB . . 3.800 3.910 3.864 3.984 0.184 15 0 "[ . 1 . 2]" 1
682 1 59 ASN HB2 1 60 ARG H . . 4.880 4.632 4.388 4.737 . 0 0 "[ . 1 . 2]" 1
683 1 59 ASN HB2 1 59 ASN HD22 . . 3.920 3.537 3.446 3.653 . 0 0 "[ . 1 . 2]" 1
684 1 58 TYR QE 1 59 ASN HB2 . . 4.800 3.523 2.805 4.658 . 0 0 "[ . 1 . 2]" 1
685 1 58 TYR QD 1 59 ASN HB2 . . 4.570 3.119 2.212 4.435 . 0 0 "[ . 1 . 2]" 1
686 1 59 ASN H 1 59 ASN HB3 . . 4.070 2.982 2.600 3.256 . 0 0 "[ . 1 . 2]" 1
687 1 59 ASN HB3 1 60 ARG H . . 5.050 4.486 4.228 4.734 . 0 0 "[ . 1 . 2]" 1
688 1 59 ASN HB3 1 59 ASN HD22 . . 3.930 3.797 3.604 4.058 0.128 7 0 "[ . 1 . 2]" 1
689 1 58 TYR QD 1 59 ASN HB3 . . 4.170 3.240 2.874 3.953 . 0 0 "[ . 1 . 2]" 1
690 1 58 TYR HB3 1 59 ASN HB3 . . 5.230 4.438 3.969 4.786 . 0 0 "[ . 1 . 2]" 1
691 1 26 PHE H 1 26 PHE QD . . 4.630 3.544 2.859 3.742 . 0 0 "[ . 1 . 2]" 1
692 1 25 SER HA 1 26 PHE QD . . 4.870 4.130 3.055 4.402 . 0 0 "[ . 1 . 2]" 1
693 1 26 PHE QD 1 107 ILE HB . . 3.970 2.395 1.987 3.474 . 0 0 "[ . 1 . 2]" 1
694 1 26 PHE QD 1 107 ILE QG . . 3.490 2.914 2.645 3.531 0.041 15 0 "[ . 1 . 2]" 1
695 1 26 PHE QD 1 37 SER H . . 4.990 3.659 3.170 4.440 . 0 0 "[ . 1 . 2]" 1
696 1 61 THR HB 1 62 ASN H . . 4.940 3.185 2.869 3.630 . 0 0 "[ . 1 . 2]" 1
697 1 50 GLY H 1 71 ASN HB2 . . 5.010 4.092 3.636 4.556 . 0 0 "[ . 1 . 2]" 1
698 1 71 ASN HB2 1 72 VAL H . . 4.540 4.543 4.442 4.594 0.054 9 0 "[ . 1 . 2]" 1
699 1 49 THR HA 1 71 ASN HB2 . . 4.690 4.131 3.604 4.752 0.062 17 0 "[ . 1 . 2]" 1
700 1 50 GLY HA2 1 71 ASN HB2 . . 4.710 4.398 4.258 4.607 . 0 0 "[ . 1 . 2]" 1
701 1 48 LEU HB3 1 71 ASN HB2 . . 4.460 3.630 3.061 3.954 . 0 0 "[ . 1 . 2]" 1
702 1 48 LEU HB2 1 71 ASN HB2 . . 4.610 2.471 2.014 2.578 . 0 0 "[ . 1 . 2]" 1
703 1 19 GLY H 1 45 ASN HB2 . . 5.150 4.722 4.549 4.868 . 0 0 "[ . 1 . 2]" 1
704 1 50 GLY H 1 71 ASN HB3 . . 4.990 2.938 2.467 3.225 . 0 0 "[ . 1 . 2]" 1
705 1 48 LEU HB2 1 71 ASN HB3 . . 4.830 3.259 2.567 3.540 . 0 0 "[ . 1 . 2]" 1
706 1 29 ILE H 1 29 ILE HB . . 3.610 2.527 2.448 2.570 . 0 0 "[ . 1 . 2]" 1
707 1 86 THR H 1 86 THR HB . . 3.320 2.428 2.358 2.523 . 0 0 "[ . 1 . 2]" 1
708 1 58 TYR QD 1 86 THR HB . . 4.500 3.874 3.559 4.243 . 0 0 "[ . 1 . 2]" 1
709 1 86 THR HB 1 108 SER HA . . 5.110 4.998 4.935 5.162 0.052 5 0 "[ . 1 . 2]" 1
710 1 58 TYR HA 1 86 THR HB . . 4.970 4.277 4.047 4.627 . 0 0 "[ . 1 . 2]" 1
711 1 58 TYR HB3 1 86 THR HB . . 3.840 3.238 2.840 3.667 . 0 0 "[ . 1 . 2]" 1
712 1 86 THR HB 1 87 TYR H . . 4.770 4.291 4.065 4.448 . 0 0 "[ . 1 . 2]" 1
713 1 43 GLU QG 1 45 ASN HB2 . . 5.260 5.559 5.294 5.775 0.515 13 3 "[ . 1 *+ . - 2]" 1
714 1 86 THR HB 1 106 THR MG . . 4.820 4.165 3.586 4.599 . 0 0 "[ . 1 . 2]" 1
715 1 49 THR HB 1 94 MET HB2 . . 5.210 4.996 4.454 5.452 0.242 8 0 "[ . 1 . 2]" 1
716 1 49 THR HB 1 50 GLY H . . 4.950 4.279 4.035 4.461 . 0 0 "[ . 1 . 2]" 1
717 1 62 ASN HB2 1 63 THR MG . . 4.880 3.556 2.647 4.596 . 0 0 "[ . 1 . 2]" 1
718 1 62 ASN HB2 1 63 THR H . . 5.350 3.653 2.688 4.426 . 0 0 "[ . 1 . 2]" 1
719 1 62 ASN HB3 1 63 THR MG . . 4.880 3.032 2.394 4.700 . 0 0 "[ . 1 . 2]" 1
720 1 57 GLU H 1 57 GLU QG . . 3.750 2.914 2.620 3.152 . 0 0 "[ . 1 . 2]" 1
721 1 57 GLU QG 1 87 TYR QE . . 4.250 2.588 2.210 2.877 . 0 0 "[ . 1 . 2]" 1
722 1 56 GLU HA 1 57 GLU QG . . 4.910 4.586 4.297 4.833 . 0 0 "[ . 1 . 2]" 1
723 1 57 GLU QG 1 63 THR HB . . 4.600 3.531 3.148 3.929 . 0 0 "[ . 1 . 2]" 1
724 1 57 GLU QG 1 58 TYR H . . 4.670 3.306 2.754 3.684 . 0 0 "[ . 1 . 2]" 1
725 1 15 GLU H 1 15 GLU HG2 . . 4.480 4.285 3.174 4.553 0.073 19 0 "[ . 1 . 2]" 1
726 1 15 GLU HG3 1 16 ASP H . . 4.950 4.530 2.188 5.230 0.280 15 0 "[ . 1 . 2]" 1
727 1 15 GLU HG2 1 16 ASP H . . 5.200 4.026 3.417 4.882 . 0 0 "[ . 1 . 2]" 1
728 1 15 GLU HA 1 15 GLU HG2 . . 3.640 2.625 1.995 3.623 . 0 0 "[ . 1 . 2]" 1
729 1 15 GLU HB3 1 15 GLU HG2 . . 2.940 2.559 2.264 2.903 . 0 0 "[ . 1 . 2]" 1
730 1 15 GLU H 1 15 GLU HG3 . . 4.490 3.905 2.867 4.535 0.045 15 0 "[ . 1 . 2]" 1
731 1 15 GLU HB3 1 15 GLU HG3 . . 2.880 2.903 2.588 2.975 0.095 15 0 "[ . 1 . 2]" 1
732 1 40 GLU QG 1 51 TYR HH . . 3.770 1.924 1.773 2.083 . 0 0 "[ . 1 . 2]" 1
733 1 40 GLU H 1 40 GLU QG . . 3.520 3.452 3.336 3.674 0.154 13 0 "[ . 1 . 2]" 1
734 1 40 GLU QG 1 51 TYR QE . . 4.590 3.379 3.235 3.671 . 0 0 "[ . 1 . 2]" 1
735 1 40 GLU QG 1 41 PRO HD3 . . 4.060 3.059 2.867 3.192 . 0 0 "[ . 1 . 2]" 1
736 1 40 GLU QG 1 41 PRO HD2 . . 3.560 2.276 2.036 2.579 . 0 0 "[ . 1 . 2]" 1
737 1 40 GLU QG 1 44 LYS HE3 . . 4.000 2.414 2.003 2.955 . 0 0 "[ . 1 . 2]" 1
738 1 40 GLU QG 1 44 LYS HD3 . . 4.500 3.916 2.499 4.377 . 0 0 "[ . 1 . 2]" 1
739 1 40 GLU QG 1 44 LYS HG3 . . 4.600 4.591 4.097 4.790 0.190 6 0 "[ . 1 . 2]" 1
740 1 40 GLU QG 1 93 ALA MB . . 4.930 4.759 4.376 5.001 0.071 12 0 "[ . 1 . 2]" 1
741 1 40 GLU QG 1 44 LYS HG2 . . 4.770 3.592 3.180 4.259 . 0 0 "[ . 1 . 2]" 1
742 1 40 GLU QG 1 48 LEU QD . . 3.500 1.977 1.875 2.269 . 0 0 "[ . 1 . 2]" 1
743 1 40 GLU QG 1 74 LEU QD . . 3.460 2.366 2.124 2.858 . 0 0 "[ . 1 . 2]" 1
744 1 90 GLU H 1 90 GLU HG2 . . 4.500 4.004 3.931 4.078 . 0 0 "[ . 1 . 2]" 1
745 1 90 GLU HG2 1 91 VAL H . . 5.190 5.019 4.320 5.264 0.074 10 0 "[ . 1 . 2]" 1
746 1 90 GLU HG2 1 104 ALA HA . . 4.960 3.414 2.943 3.753 . 0 0 "[ . 1 . 2]" 1
747 1 88 THR MG 1 90 GLU HG3 . . 4.240 2.239 2.108 2.399 . 0 0 "[ . 1 . 2]" 1
748 1 90 GLU HG3 1 102 VAL MG2 . . 4.870 4.480 4.148 4.625 . 0 0 "[ . 1 . 2]" 1
749 1 90 GLU HG3 1 102 VAL MG1 . . 4.120 4.200 3.964 4.302 0.182 9 0 "[ . 1 . 2]" 1
750 1 28 GLU H 1 28 GLU QG . . 4.030 2.498 2.337 2.717 . 0 0 "[ . 1 . 2]" 1
751 1 27 SER QB 1 28 GLU QG . . 4.540 2.976 2.533 3.329 . 0 0 "[ . 1 . 2]" 1
752 1 24 LEU HG 1 26 PHE QE . . 4.570 4.452 3.866 5.015 0.445 5 0 "[ . 1 . 2]" 1
753 1 24 LEU HB2 1 26 PHE QE . . 4.730 4.937 4.103 5.216 0.486 8 0 "[ . 1 . 2]" 1
754 1 26 PHE QE 1 29 ILE MD . . 5.100 4.857 4.658 4.981 . 0 0 "[ . 1 . 2]" 1
755 1 26 PHE QE 1 36 VAL HA . . 5.320 3.452 3.148 3.901 . 0 0 "[ . 1 . 2]" 1
756 1 26 PHE QE 1 34 LEU QD . . 3.910 3.277 2.593 3.653 . 0 0 "[ . 1 . 2]" 1
757 1 42 GLY HA3 1 43 GLU QG . . 4.410 4.176 3.641 4.534 0.124 9 0 "[ . 1 . 2]" 1
758 1 54 SER QB 1 55 TRP H . . 3.980 3.434 3.052 3.531 . 0 0 "[ . 1 . 2]" 1
759 1 54 SER QB 1 64 ARG HD3 . . 4.610 3.406 2.552 4.165 . 0 0 "[ . 1 . 2]" 1
760 1 54 SER QB 1 90 GLU HB2 . . 4.530 3.059 2.499 3.462 . 0 0 "[ . 1 . 2]" 1
761 1 54 SER QB 1 64 ARG QG . . 4.580 2.659 2.030 3.124 . 0 0 "[ . 1 . 2]" 1
762 1 54 SER QB 1 66 THR MG . . 4.710 4.182 3.734 4.595 . 0 0 "[ . 1 . 2]" 1
763 1 54 SER QB 1 90 GLU HB3 . . 5.270 4.609 4.102 4.990 . 0 0 "[ . 1 . 2]" 1
764 1 19 GLY H 1 43 GLU QG . . 4.330 3.608 2.122 4.297 . 0 0 "[ . 1 . 2]" 1
765 1 43 GLU QG 1 44 LYS H . . 4.230 4.616 3.947 4.913 0.683 19 13 "[- * * ** *** .***+*]" 1
766 1 43 GLU H 1 43 GLU QG . . 3.420 2.809 1.815 3.275 . 0 0 "[ . 1 . 2]" 1
767 1 43 GLU QG 1 45 ASN HD21 . . 4.330 3.881 3.736 4.023 . 0 0 "[ . 1 . 2]" 1
768 1 43 GLU QG 1 45 ASN HD22 . . 3.890 3.904 3.431 4.381 0.491 4 0 "[ . 1 . 2]" 1
769 1 18 PRO HA 1 43 GLU QG . . 4.990 4.743 4.111 5.100 0.110 13 0 "[ . 1 . 2]" 1
770 1 19 GLY HA2 1 43 GLU QG . . 4.700 4.425 3.109 4.787 0.087 20 0 "[ . 1 . 2]" 1
771 1 19 GLY HA3 1 43 GLU QG . . 4.540 3.202 1.791 3.775 . 0 0 "[ . 1 . 2]" 1
772 1 49 THR HG1 1 94 MET HB2 . . 4.860 3.325 2.397 4.437 . 0 0 "[ . 1 . 2]" 1
773 1 94 MET HB2 1 95 THR H . . 4.100 4.201 3.990 4.363 0.263 5 0 "[ . 1 . 2]" 1
774 1 94 MET HB3 1 95 THR H . . 4.290 3.257 3.111 3.433 . 0 0 "[ . 1 . 2]" 1
775 1 49 THR HG1 1 94 MET HB3 . . 4.570 3.004 2.674 3.602 . 0 0 "[ . 1 . 2]" 1
776 1 49 THR H 1 94 MET HB3 . . 5.070 4.154 3.743 4.636 . 0 0 "[ . 1 . 2]" 1
777 1 91 VAL HB 1 92 ALA H . . 5.270 4.410 4.303 4.487 . 0 0 "[ . 1 . 2]" 1
778 1 91 VAL H 1 91 VAL HB . . 3.960 2.462 2.385 2.532 . 0 0 "[ . 1 . 2]" 1
779 1 24 LEU QD 1 91 VAL HB . . 3.140 1.936 1.744 2.150 . 0 0 "[ . 1 . 2]" 1
780 1 104 ALA HA 1 105 SER QB . . 4.920 4.094 4.029 4.649 . 0 0 "[ . 1 . 2]" 1
781 1 105 SER H 1 105 SER QB . . 3.810 2.417 2.338 3.089 . 0 0 "[ . 1 . 2]" 1
782 1 26 PHE QE 1 105 SER QB . . 3.550 2.153 1.959 2.426 . 0 0 "[ . 1 . 2]" 1
783 1 26 PHE HZ 1 105 SER QB . . 3.490 2.555 2.164 3.094 . 0 0 "[ . 1 . 2]" 1
784 1 89 ILE HB 1 105 SER QB . . 4.750 4.037 3.805 4.248 . 0 0 "[ . 1 . 2]" 1
785 1 24 LEU HB2 1 105 SER QB . . 4.440 2.580 2.067 3.116 . 0 0 "[ . 1 . 2]" 1
786 1 24 LEU QD 1 105 SER QB . . 3.830 2.549 2.119 2.959 . 0 0 "[ . 1 . 2]" 1
787 1 89 ILE MG 1 105 SER QB . . 4.630 5.078 4.816 5.287 0.657 15 9 "[* . ** * * + *- *]" 1
788 1 105 SER QB 1 107 ILE HB . . 4.310 4.037 3.738 4.195 . 0 0 "[ . 1 . 2]" 1
789 1 33 SER QB 1 79 THR HA . . 4.070 2.779 1.910 3.122 . 0 0 "[ . 1 . 2]" 1
790 1 33 SER QB 1 77 ARG HG3 . . 4.850 3.974 3.241 4.666 . 0 0 "[ . 1 . 2]" 1
791 1 67 HIS HB2 1 69 LEU MD2 . . 4.510 4.364 3.140 4.557 0.047 2 0 "[ . 1 . 2]" 1
792 1 67 HIS HB3 1 76 TYR QE . . 4.910 4.226 3.644 4.483 . 0 0 "[ . 1 . 2]" 1
793 1 55 TRP HZ3 1 67 HIS HB2 . . 4.940 3.758 3.502 4.879 . 0 0 "[ . 1 . 2]" 1
794 1 75 GLU QG 1 76 TYR H . . 4.710 3.715 3.388 4.125 . 0 0 "[ . 1 . 2]" 1
795 1 37 SER HA 1 75 GLU QG . . 4.820 4.328 4.240 4.414 . 0 0 "[ . 1 . 2]" 1
796 1 37 SER QB 1 75 GLU QG . . 4.600 3.982 3.857 4.208 . 0 0 "[ . 1 . 2]" 1
797 1 35 LYS QE 1 75 GLU QG . . 4.630 2.671 1.965 3.241 . 0 0 "[ . 1 . 2]" 1
798 1 74 LEU H 1 75 GLU QG . . 4.510 3.499 3.068 3.710 . 0 0 "[ . 1 . 2]" 1
799 1 75 GLU H 1 75 GLU QG . . 3.770 2.444 2.019 2.540 . 0 0 "[ . 1 . 2]" 1
800 1 35 LYS QD 1 75 GLU QG . . 4.550 3.090 2.742 4.279 . 0 0 "[ . 1 . 2]" 1
801 1 99 GLN HG2 1 100 GLY H . . 4.550 2.081 1.920 2.310 . 0 0 "[ . 1 . 2]" 1
802 1 99 GLN H 1 99 GLN HG2 . . 4.290 4.364 4.326 4.390 0.100 3 0 "[ . 1 . 2]" 1
803 1 94 MET HA 1 99 GLN HG2 . . 5.190 4.269 3.815 4.859 . 0 0 "[ . 1 . 2]" 1
804 1 36 VAL H 1 36 VAL HB . . 3.810 2.528 2.368 3.484 . 0 0 "[ . 1 . 2]" 1
805 1 26 PHE QD 1 36 VAL HB . . 4.600 4.367 2.288 4.748 0.148 5 0 "[ . 1 . 2]" 1
806 1 26 PHE QE 1 36 VAL HB . . 4.560 4.121 1.961 4.612 0.052 19 0 "[ . 1 . 2]" 1
807 1 36 VAL HB 1 38 TRP HE3 . . 4.920 4.307 4.136 4.480 . 0 0 "[ . 1 . 2]" 1
808 1 36 VAL HB 1 38 TRP HZ3 . . 3.920 2.902 2.511 4.238 0.318 15 0 "[ . 1 . 2]" 1
809 1 34 LEU QD 1 36 VAL HB . . 4.650 3.913 3.171 4.150 . 0 0 "[ . 1 . 2]" 1
810 1 37 SER QB 1 76 TYR H . . 4.780 4.607 4.436 4.836 0.056 9 0 "[ . 1 . 2]" 1
811 1 37 SER H 1 37 SER QB . . 3.540 2.939 2.529 3.306 . 0 0 "[ . 1 . 2]" 1
812 1 37 SER QB 1 38 TRP H . . 3.230 3.014 2.646 3.362 0.132 17 0 "[ . 1 . 2]" 1
813 1 37 SER QB 1 38 TRP HE3 . . 5.080 4.719 4.493 5.159 0.079 15 0 "[ . 1 . 2]" 1
814 1 37 SER QB 1 75 GLU HA . . 3.790 3.578 3.479 3.746 . 0 0 "[ . 1 . 2]" 1
815 1 37 SER QB 1 75 GLU HB3 . . 3.700 2.317 1.951 2.573 . 0 0 "[ . 1 . 2]" 1
816 1 37 SER QB 1 75 GLU HB2 . . 3.870 2.674 2.358 3.126 . 0 0 "[ . 1 . 2]" 1
817 1 99 GLN HG3 1 100 GLY H . . 4.520 3.298 2.615 3.741 . 0 0 "[ . 1 . 2]" 1
818 1 35 LYS HB3 1 36 VAL H . . 4.590 4.051 3.797 4.374 . 0 0 "[ . 1 . 2]" 1
819 1 28 GLU QG 1 35 LYS HB3 . . 4.730 4.387 3.994 4.777 0.047 15 0 "[ . 1 . 2]" 1
820 1 27 SER H 1 35 LYS HB3 . . 4.600 2.931 2.762 3.324 . 0 0 "[ . 1 . 2]" 1
821 1 35 LYS HB2 1 77 ARG HA . . 4.840 3.696 3.104 3.990 . 0 0 "[ . 1 . 2]" 1
822 1 35 LYS HB2 1 35 LYS QE . . 4.370 3.693 3.294 4.407 0.037 19 0 "[ . 1 . 2]" 1
823 1 28 GLU QG 1 35 LYS HB2 . . 4.850 4.359 3.909 4.849 . 0 0 "[ . 1 . 2]" 1
824 1 28 GLU HB2 1 35 LYS HB2 . . 4.130 2.988 2.608 3.495 . 0 0 "[ . 1 . 2]" 1
825 1 56 GLU HG2 1 88 THR H . . 4.710 3.650 2.886 4.474 . 0 0 "[ . 1 . 2]" 1
826 1 56 GLU HG2 1 88 THR MG . . 4.550 3.049 2.638 3.494 . 0 0 "[ . 1 . 2]" 1
827 1 56 GLU H 1 56 GLU HG2 . . 3.960 2.629 2.121 3.262 . 0 0 "[ . 1 . 2]" 1
828 1 56 GLU HG3 1 88 THR H . . 4.850 3.768 3.088 4.906 0.056 19 0 "[ . 1 . 2]" 1
829 1 56 GLU H 1 56 GLU HG3 . . 4.270 3.547 2.829 4.286 0.016 9 0 "[ . 1 . 2]" 1
830 1 56 GLU HG3 1 88 THR MG . . 4.750 3.807 3.087 4.401 . 0 0 "[ . 1 . 2]" 1
831 1 27 SER QB 1 28 GLU H . . 3.930 2.331 2.130 2.731 . 0 0 "[ . 1 . 2]" 1
832 1 39 GLN QG 1 40 GLU H . . 3.910 3.132 2.613 3.557 . 0 0 "[ . 1 . 2]" 1
833 1 39 GLN H 1 39 GLN QG . . 3.750 3.767 3.489 3.839 0.089 8 0 "[ . 1 . 2]" 1
834 1 38 TRP HA 1 39 GLN QG . . 4.600 4.523 3.940 4.652 0.052 9 0 "[ . 1 . 2]" 1
835 1 39 GLN HA 1 39 GLN QG . . 3.350 2.075 1.956 2.306 . 0 0 "[ . 1 . 2]" 1
836 1 22 GLY QA 1 39 GLN QG . . 4.840 3.849 3.743 3.973 . 0 0 "[ . 1 . 2]" 1
837 1 39 GLN QG 1 74 LEU QD . . 4.970 3.174 2.870 3.642 . 0 0 "[ . 1 . 2]" 1
838 1 38 TRP H 1 39 GLN QG . . 5.130 4.907 4.487 5.168 0.038 17 0 "[ . 1 . 2]" 1
839 1 24 LEU HB3 1 26 PHE HZ . . 4.960 3.565 3.057 3.872 . 0 0 "[ . 1 . 2]" 1
840 1 25 SER H 1 25 SER HB2 . . 3.620 3.025 2.817 3.214 . 0 0 "[ . 1 . 2]" 1
841 1 25 SER H 1 25 SER HB3 . . 3.610 3.332 2.844 3.926 0.316 5 0 "[ . 1 . 2]" 1
842 1 25 SER HB3 1 26 PHE H . . 4.160 3.341 2.526 3.947 . 0 0 "[ . 1 . 2]" 1
843 1 25 SER HB3 1 26 PHE QD . . 5.210 5.295 4.998 5.570 0.360 18 0 "[ . 1 . 2]" 1
844 1 101 GLN HG3 1 102 VAL H . . 4.070 2.665 2.292 3.032 . 0 0 "[ . 1 . 2]" 1
845 1 101 GLN H 1 101 GLN HG3 . . 3.950 3.901 3.742 4.075 0.125 17 0 "[ . 1 . 2]" 1
846 1 19 GLY HA2 1 101 GLN HG3 . . 4.720 4.750 4.622 4.790 0.070 13 0 "[ . 1 . 2]" 1
847 1 101 GLN HA 1 101 GLN HG3 . . 3.750 2.012 1.967 2.109 . 0 0 "[ . 1 . 2]" 1
848 1 101 GLN HG3 1 102 VAL MG1 . . 4.630 4.480 4.165 4.664 0.034 11 0 "[ . 1 . 2]" 1
849 1 101 GLN HG2 1 102 VAL H . . 4.130 2.483 2.076 2.837 . 0 0 "[ . 1 . 2]" 1
850 1 19 GLY HA2 1 101 GLN HG2 . . 4.730 4.693 4.434 4.793 0.063 13 0 "[ . 1 . 2]" 1
851 1 101 GLN HA 1 101 GLN HG2 . . 3.750 3.198 3.130 3.289 . 0 0 "[ . 1 . 2]" 1
852 1 20 PRO HD3 1 101 GLN HG2 . . 4.980 3.641 3.432 3.904 . 0 0 "[ . 1 . 2]" 1
853 1 101 GLN HG2 1 102 VAL MG1 . . 4.630 4.427 4.051 4.633 0.003 13 0 "[ . 1 . 2]" 1
854 1 55 TRP HZ2 1 65 VAL HB . . 4.850 3.893 3.705 4.329 . 0 0 "[ . 1 . 2]" 1
855 1 65 VAL H 1 65 VAL HB . . 3.830 2.894 2.538 3.216 . 0 0 "[ . 1 . 2]" 1
856 1 24 LEU HG 1 26 PHE HZ . . 4.800 4.168 3.526 4.996 0.196 5 0 "[ . 1 . 2]" 1
857 1 24 LEU HB2 1 26 PHE HZ . . 5.090 4.912 4.487 5.182 0.092 17 0 "[ . 1 . 2]" 1
858 1 20 PRO HD3 1 101 GLN HG3 . . 4.980 4.533 4.280 4.748 . 0 0 "[ . 1 . 2]" 1
859 1 55 TRP HB2 1 56 GLU H . . 4.470 3.226 2.821 3.621 . 0 0 "[ . 1 . 2]" 1
860 1 55 TRP HB2 1 89 ILE MD . . 4.460 1.780 1.759 1.806 . 0 0 "[ . 1 . 2]" 1
861 1 102 VAL H 1 102 VAL HB . . 3.260 2.949 2.827 3.248 . 0 0 "[ . 1 . 2]" 1
862 1 70 PRO HB3 1 72 VAL MG1 . . 4.920 4.105 3.975 4.365 . 0 0 "[ . 1 . 2]" 1
863 1 18 PRO HB3 1 19 GLY H . . 4.490 3.256 3.232 3.278 . 0 0 "[ . 1 . 2]" 1
864 1 18 PRO HB3 1 100 GLY HA3 . . 5.070 5.084 4.973 5.169 0.099 15 0 "[ . 1 . 2]" 1
865 1 70 PRO HB2 1 73 THR HB . . 4.880 4.604 4.529 4.664 . 0 0 "[ . 1 . 2]" 1
866 1 18 PRO HB2 1 19 GLY H . . 4.490 2.399 2.341 2.453 . 0 0 "[ . 1 . 2]" 1
867 1 18 PRO HB2 1 100 GLY HA3 . . 4.600 4.183 4.029 4.260 . 0 0 "[ . 1 . 2]" 1
868 1 18 PRO HB2 1 44 LYS HA . . 4.360 3.497 2.994 3.824 . 0 0 "[ . 1 . 2]" 1
869 1 18 PRO HB2 1 95 THR MG . . 4.870 4.007 3.767 4.186 . 0 0 "[ . 1 . 2]" 1
870 1 18 PRO HB2 1 48 LEU QD . . 4.570 3.133 3.009 3.431 . 0 0 "[ . 1 . 2]" 1
871 1 61 THR HA 1 63 THR H . . 4.630 3.502 3.208 3.984 . 0 0 "[ . 1 . 2]" 1
872 1 56 GLU HB3 1 61 THR HA . . 4.760 3.947 3.365 4.418 . 0 0 "[ . 1 . 2]" 1
873 1 103 SER HB3 1 104 ALA H . . 3.890 3.910 3.834 3.964 0.074 5 0 "[ . 1 . 2]" 1
874 1 103 SER H 1 103 SER HB3 . . 4.100 3.495 3.413 3.580 . 0 0 "[ . 1 . 2]" 1
875 1 24 LEU QD 1 103 SER HB3 . . 3.400 1.834 1.770 1.930 . 0 0 "[ . 1 . 2]" 1
876 1 21 VAL H 1 103 SER HB2 . . 4.050 3.510 3.237 3.790 . 0 0 "[ . 1 . 2]" 1
877 1 91 VAL H 1 103 SER HB2 . . 4.580 3.303 3.118 3.465 . 0 0 "[ . 1 . 2]" 1
878 1 20 PRO QB 1 103 SER HB2 . . 4.770 4.253 3.972 4.389 . 0 0 "[ . 1 . 2]" 1
879 1 21 VAL MG2 1 103 SER HB2 . . 3.380 2.008 1.850 2.142 . 0 0 "[ . 1 . 2]" 1
880 1 70 PRO HB3 1 71 ASN H . . 4.460 3.294 3.264 3.328 . 0 0 "[ . 1 . 2]" 1
881 1 70 PRO HB3 1 72 VAL H . . 4.170 4.000 3.938 4.193 0.023 12 0 "[ . 1 . 2]" 1
882 1 70 PRO HB2 1 71 ASN H . . 4.620 2.488 2.419 2.564 . 0 0 "[ . 1 . 2]" 1
883 1 70 PRO HB2 1 73 THR H . . 4.590 3.557 3.516 3.601 . 0 0 "[ . 1 . 2]" 1
884 1 70 PRO HB2 1 72 VAL MG1 . . 4.460 2.793 2.651 3.045 . 0 0 "[ . 1 . 2]" 1
885 1 70 PRO HB2 1 72 VAL MG2 . . 3.490 2.161 1.942 2.382 . 0 0 "[ . 1 . 2]" 1
886 1 44 LYS HB2 1 45 ASN H . . 4.580 2.941 2.741 3.061 . 0 0 "[ . 1 . 2]" 1
887 1 44 LYS HB2 1 48 LEU QD . . 4.790 3.889 3.462 4.254 . 0 0 "[ . 1 . 2]" 1
888 1 61 THR HA 1 64 ARG H . . 4.550 3.853 3.085 4.239 . 0 0 "[ . 1 . 2]" 1
889 1 61 THR HA 1 64 ARG HB2 . . 4.710 2.538 2.274 2.911 . 0 0 "[ . 1 . 2]" 1
890 1 56 GLU HG3 1 61 THR HA . . 4.830 4.240 3.367 4.752 . 0 0 "[ . 1 . 2]" 1
891 1 56 GLU HB2 1 61 THR HA . . 4.460 2.944 1.977 3.701 . 0 0 "[ . 1 . 2]" 1
892 1 61 THR HA 1 64 ARG HB3 . . 4.970 3.947 3.396 4.627 . 0 0 "[ . 1 . 2]" 1
893 1 61 THR HA 1 61 THR MG . . 3.310 2.350 2.145 2.475 . 0 0 "[ . 1 . 2]" 1
894 1 91 VAL H 1 103 SER HB3 . . 4.990 3.911 3.677 4.096 . 0 0 "[ . 1 . 2]" 1
895 1 24 LEU HG 1 103 SER HB3 . . 4.380 3.357 2.897 4.482 0.102 5 0 "[ . 1 . 2]" 1
896 1 91 VAL HB 1 103 SER HB3 . . 4.500 3.839 3.535 4.107 . 0 0 "[ . 1 . 2]" 1
897 1 24 LEU HG 1 103 SER HB2 . . 4.900 4.254 3.860 4.957 0.057 5 0 "[ . 1 . 2]" 1
898 1 24 LEU QD 1 103 SER HB2 . . 3.860 2.053 1.915 2.200 . 0 0 "[ . 1 . 2]" 1
899 1 91 VAL HB 1 103 SER HB2 . . 4.440 2.882 2.631 3.193 . 0 0 "[ . 1 . 2]" 1
900 1 44 LYS HB3 1 44 LYS HE3 . . 4.940 4.331 4.205 4.507 . 0 0 "[ . 1 . 2]" 1
901 1 44 LYS HB2 1 44 LYS HE3 . . 4.930 4.532 4.343 4.742 . 0 0 "[ . 1 . 2]" 1
902 1 38 TRP H 1 75 GLU HB2 . . 5.210 4.721 4.443 5.154 . 0 0 "[ . 1 . 2]" 1
903 1 87 TYR H 1 108 SER HB2 . . 4.960 4.336 3.796 4.548 . 0 0 "[ . 1 . 2]" 1
904 1 108 SER H 1 108 SER HB2 . . 3.450 3.031 2.637 3.184 . 0 0 "[ . 1 . 2]" 1
905 1 86 THR HA 1 108 SER HB2 . . 4.310 2.686 2.112 2.839 . 0 0 "[ . 1 . 2]" 1
906 1 107 ILE HA 1 108 SER HB2 . . 4.270 4.677 4.328 4.833 0.563 20 9 "[ *-.** ** ** . +]" 1
907 1 107 ILE QG 1 108 SER HB2 . . 5.000 5.267 5.007 5.531 0.531 5 1 "[ + 1 . 2]" 1
908 1 86 THR MG 1 108 SER HB2 . . 4.310 3.056 2.759 3.281 . 0 0 "[ . 1 . 2]" 1
909 1 108 SER H 1 108 SER HB3 . . 3.420 2.336 2.233 2.622 . 0 0 "[ . 1 . 2]" 1
910 1 86 THR HA 1 108 SER HB3 . . 4.170 4.117 3.644 4.230 0.060 20 0 "[ . 1 . 2]" 1
911 1 107 ILE QG 1 108 SER HB3 . . 4.820 4.714 4.603 4.767 . 0 0 "[ . 1 . 2]" 1
912 1 86 THR MG 1 108 SER HB3 . . 4.310 4.320 4.188 4.395 0.085 19 0 "[ . 1 . 2]" 1
913 1 107 ILE MD 1 108 SER HB3 . . 4.710 4.129 3.912 4.723 0.013 15 0 "[ . 1 . 2]" 1
914 1 56 GLU HB2 1 57 GLU H . . 4.620 2.949 2.217 4.433 . 0 0 "[ . 1 . 2]" 1
915 1 56 GLU HB2 1 61 THR MG . . 4.960 4.422 3.469 5.031 0.071 9 0 "[ . 1 . 2]" 1
916 1 56 GLU HB3 1 57 GLU H . . 4.840 4.145 3.718 4.722 . 0 0 "[ . 1 . 2]" 1
917 1 95 THR HG1 1 97 LYS HB3 . . 5.030 3.537 2.611 5.011 . 0 0 "[ . 1 . 2]" 1
918 1 97 LYS H 1 97 LYS HB2 . . 3.850 3.115 2.161 3.665 . 0 0 "[ . 1 . 2]" 1
919 1 97 LYS HB2 1 98 GLY H . . 4.430 3.638 2.556 4.277 . 0 0 "[ . 1 . 2]" 1
920 1 17 VAL MG1 1 97 LYS HB2 . . 4.050 3.474 1.998 4.351 0.301 2 0 "[ . 1 . 2]" 1
921 1 97 LYS H 1 97 LYS HB3 . . 4.100 2.816 2.287 3.553 . 0 0 "[ . 1 . 2]" 1
922 1 97 LYS HB3 1 98 GLY H . . 4.480 3.357 3.131 4.073 . 0 0 "[ . 1 . 2]" 1
923 1 95 THR HG1 1 97 LYS HB2 . . 4.940 3.928 2.196 4.843 . 0 0 "[ . 1 . 2]" 1
924 1 97 LYS HB2 1 97 LYS QD . . 3.810 2.724 2.240 3.481 . 0 0 "[ . 1 . 2]" 1
925 1 114 SER QB 1 115 GLY H . . 5.220 3.553 1.947 4.056 . 0 0 "[ . 1 . 2]" 1
926 1 111 VAL H 1 111 VAL HB . . 3.550 3.559 3.508 3.587 0.037 8 0 "[ . 1 . 2]" 1
927 1 110 GLY HA3 1 111 VAL HB . . 4.710 4.480 4.400 4.508 . 0 0 "[ . 1 . 2]" 1
928 1 19 GLY H 1 41 PRO HB3 . . 4.660 3.922 3.693 4.211 . 0 0 "[ . 1 . 2]" 1
929 1 41 PRO HB3 1 93 ALA MB . . 4.640 4.171 3.793 4.546 . 0 0 "[ . 1 . 2]" 1
930 1 41 PRO HB3 1 42 GLY H . . 4.320 3.621 3.522 3.663 . 0 0 "[ . 1 . 2]" 1
931 1 21 VAL HA 1 41 PRO HB3 . . 4.070 2.153 2.001 2.315 . 0 0 "[ . 1 . 2]" 1
932 1 19 GLY H 1 41 PRO HB2 . . 4.770 2.924 2.650 3.192 . 0 0 "[ . 1 . 2]" 1
933 1 21 VAL MG1 1 41 PRO HB2 . . 4.970 4.534 4.395 4.675 . 0 0 "[ . 1 . 2]" 1
934 1 41 PRO HB2 1 42 GLY H . . 4.710 3.119 2.948 3.190 . 0 0 "[ . 1 . 2]" 1
935 1 41 PRO HB2 1 93 ALA MB . . 4.620 4.473 4.166 4.678 0.058 2 0 "[ . 1 . 2]" 1
936 1 18 PRO HB3 1 41 PRO HB2 . . 4.870 4.334 3.823 4.744 . 0 0 "[ . 1 . 2]" 1
937 1 41 PRO HB2 1 44 LYS HG2 . . 4.920 4.306 3.696 5.012 0.092 13 0 "[ . 1 . 2]" 1
938 1 20 PRO QB 1 21 VAL H . . 3.000 3.324 3.180 3.457 0.457 13 0 "[ . 1 . 2]" 1
939 1 87 TYR QE 1 109 SER QB . . 4.960 3.932 3.529 4.152 . 0 0 "[ . 1 . 2]" 1
940 1 85 THR H 1 109 SER QB . . 4.550 3.031 2.769 3.237 . 0 0 "[ . 1 . 2]" 1
941 1 109 SER QB 1 110 GLY H . . 3.840 2.715 1.926 3.008 . 0 0 "[ . 1 . 2]" 1
942 1 29 ILE MG 1 109 SER QB . . 4.990 3.451 3.172 3.626 . 0 0 "[ . 1 . 2]" 1
943 1 81 LEU MD1 1 109 SER QB . . 3.680 3.318 3.160 3.518 . 0 0 "[ . 1 . 2]" 1
944 1 109 SER QB 1 110 GLY HA3 . . 5.250 4.477 4.098 4.578 . 0 0 "[ . 1 . 2]" 1
945 1 18 PRO HA 1 19 GLY H . . 3.230 2.568 2.543 2.593 . 0 0 "[ . 1 . 2]" 1
946 1 18 PRO HA 1 45 ASN HD21 . . 3.890 2.537 2.097 3.011 . 0 0 "[ . 1 . 2]" 1
947 1 18 PRO HA 1 45 ASN HD22 . . 4.540 4.175 3.762 4.574 0.034 7 0 "[ . 1 . 2]" 1
948 1 18 PRO HA 1 45 ASN HB3 . . 4.320 4.034 3.874 4.115 . 0 0 "[ . 1 . 2]" 1
949 1 18 PRO HA 1 45 ASN HB2 . . 3.970 2.471 2.187 2.605 . 0 0 "[ . 1 . 2]" 1
950 1 18 PRO HA 1 95 THR MG . . 4.960 4.134 3.904 4.438 . 0 0 "[ . 1 . 2]" 1
951 1 73 THR HA 1 74 LEU H . . 2.850 2.240 2.186 2.264 . 0 0 "[ . 1 . 2]" 1
952 1 72 VAL HA 1 73 THR HA . . 5.000 4.586 4.558 4.636 . 0 0 "[ . 1 . 2]" 1
953 1 73 THR HA 1 74 LEU HA . . 5.010 4.382 4.354 4.394 . 0 0 "[ . 1 . 2]" 1
954 1 73 THR HA 1 75 GLU QG . . 4.810 4.608 4.092 4.749 . 0 0 "[ . 1 . 2]" 1
955 1 73 THR HA 1 74 LEU HG . . 4.430 3.189 3.128 3.333 . 0 0 "[ . 1 . 2]" 1
956 1 72 VAL MG2 1 73 THR HA . . 4.100 3.537 3.309 3.637 . 0 0 "[ . 1 . 2]" 1
957 1 73 THR HA 1 74 LEU QD . . 4.520 3.843 3.779 3.959 . 0 0 "[ . 1 . 2]" 1
958 1 87 TYR QD 1 109 SER QB . . 4.910 3.576 3.258 3.891 . 0 0 "[ . 1 . 2]" 1
959 1 112 PRO HA 1 113 PRO HB3 . . 5.000 4.960 4.954 4.962 . 0 0 "[ . 1 . 2]" 1
960 1 17 VAL HB 1 100 GLY HA2 . . 4.050 2.128 2.001 2.427 . 0 0 "[ . 1 . 2]" 1
961 1 17 VAL HB 1 18 PRO HD2 . . 4.100 1.868 1.820 1.890 . 0 0 "[ . 1 . 2]" 1
962 1 17 VAL HB 1 95 THR MG . . 4.840 4.614 4.047 4.891 0.051 17 0 "[ . 1 . 2]" 1
963 1 18 PRO HA 1 19 GLY HA3 . . 4.440 4.419 4.393 4.444 0.004 9 0 "[ . 1 . 2]" 1
964 1 29 ILE HA 1 30 LEU H . . 3.270 2.252 2.213 2.334 . 0 0 "[ . 1 . 2]" 1
965 1 29 ILE HA 1 34 LEU HA . . 3.820 2.220 1.983 2.387 . 0 0 "[ . 1 . 2]" 1
966 1 29 ILE HA 1 34 LEU HB3 . . 3.740 2.417 2.300 2.589 . 0 0 "[ . 1 . 2]" 1
967 1 29 ILE HA 1 34 LEU HB2 . . 3.800 2.743 2.403 3.089 . 0 0 "[ . 1 . 2]" 1
968 1 29 ILE HA 1 34 LEU QD . . 3.870 3.730 3.613 3.856 . 0 0 "[ . 1 . 2]" 1
969 1 29 ILE HA 1 33 SER H . . 4.980 4.823 4.584 5.020 0.040 2 0 "[ . 1 . 2]" 1
970 1 39 GLN HB3 1 40 GLU H . . 3.690 2.280 2.149 2.326 . 0 0 "[ . 1 . 2]" 1
971 1 39 GLN H 1 39 GLN HB3 . . 4.170 3.428 3.326 3.661 . 0 0 "[ . 1 . 2]" 1
972 1 20 PRO QB 1 101 GLN HG3 . . 4.850 4.524 4.073 4.923 0.073 6 0 "[ . 1 . 2]" 1
973 1 39 GLN HB2 1 40 GLU H . . 3.900 3.750 3.620 3.782 . 0 0 "[ . 1 . 2]" 1
974 1 39 GLN H 1 39 GLN HB2 . . 3.880 2.543 2.358 2.659 . 0 0 "[ . 1 . 2]" 1
975 1 22 GLY QA 1 39 GLN HB2 . . 4.570 1.976 1.947 2.010 . 0 0 "[ . 1 . 2]" 1
976 1 72 VAL H 1 72 VAL HB . . 4.140 3.725 3.701 3.753 . 0 0 "[ . 1 . 2]" 1
977 1 70 PRO HB2 1 72 VAL HB . . 4.880 4.702 4.677 4.733 . 0 0 "[ . 1 . 2]" 1
978 1 22 GLY QA 1 39 GLN HB3 . . 4.860 2.567 2.262 3.029 . 0 0 "[ . 1 . 2]" 1
979 1 22 GLY H 1 39 GLN HB2 . . 4.850 3.571 3.241 3.751 . 0 0 "[ . 1 . 2]" 1
980 1 52 ARG HB2 1 92 ALA H . . 4.980 4.806 4.430 5.072 0.092 13 0 "[ . 1 . 2]" 1
981 1 52 ARG HB2 1 53 ILE H . . 4.890 4.443 4.299 4.634 . 0 0 "[ . 1 . 2]" 1
982 1 52 ARG HB2 1 66 THR MG . . 5.130 5.019 4.588 5.187 0.057 12 0 "[ . 1 . 2]" 1
983 1 52 ARG HB3 1 68 TYR QD . . 4.970 4.854 4.361 5.044 0.074 11 0 "[ . 1 . 2]" 1
984 1 86 THR HA 1 87 TYR HB2 . . 4.640 4.064 4.011 4.114 . 0 0 "[ . 1 . 2]" 1
985 1 86 THR HA 1 87 TYR H . . 3.320 2.169 2.149 2.212 . 0 0 "[ . 1 . 2]" 1
986 1 86 THR HA 1 109 SER H . . 4.370 3.695 3.534 4.102 . 0 0 "[ . 1 . 2]" 1
987 1 86 THR HA 1 87 TYR QD . . 4.890 3.725 3.466 4.370 . 0 0 "[ . 1 . 2]" 1
988 1 41 PRO HA 1 42 GLY H . . 3.140 2.286 2.263 2.344 . 0 0 "[ . 1 . 2]" 1
989 1 22 GLY H 1 41 PRO HA . . 4.610 4.010 3.428 4.282 . 0 0 "[ . 1 . 2]" 1
990 1 102 VAL HA 1 103 SER HB2 . . 5.080 4.261 4.188 4.342 . 0 0 "[ . 1 . 2]" 1
991 1 52 ARG HB3 1 68 TYR QE . . 4.820 4.699 4.183 4.860 0.040 18 0 "[ . 1 . 2]" 1
992 1 34 LEU H 1 78 VAL HB . . 4.190 3.111 2.744 4.461 0.271 10 0 "[ . 1 . 2]" 1
993 1 77 ARG HA 1 78 VAL HB . . 4.930 4.670 4.529 5.190 0.260 12 0 "[ . 1 . 2]" 1
994 1 34 LEU QD 1 78 VAL HB . . 3.990 2.630 2.050 3.902 . 0 0 "[ . 1 . 2]" 1
995 1 78 VAL HB 1 81 LEU MD1 . . 4.460 3.095 2.673 4.011 . 0 0 "[ . 1 . 2]" 1
996 1 113 PRO HA 1 114 SER H . . 3.370 3.034 2.443 3.433 0.063 1 0 "[ . 1 . 2]" 1
997 1 111 VAL MG1 1 113 PRO HA . . 4.630 4.374 4.293 4.414 . 0 0 "[ . 1 . 2]" 1
998 1 41 PRO HA 1 43 GLU H . . 4.230 3.829 3.632 4.037 . 0 0 "[ . 1 . 2]" 1
999 1 21 VAL MG1 1 41 PRO HA . . 4.590 4.516 4.157 4.642 0.052 12 0 "[ . 1 . 2]" 1
1000 1 91 VAL H 1 102 VAL HA . . 4.940 4.353 4.031 4.530 . 0 0 "[ . 1 . 2]" 1
1001 1 102 VAL HA 1 103 SER H . . 3.360 2.273 2.220 2.378 . 0 0 "[ . 1 . 2]" 1
1002 1 64 ARG HB3 1 64 ARG HD2 . . 4.050 2.731 2.003 4.040 . 0 0 "[ . 1 . 2]" 1
1003 1 64 ARG HB2 1 65 VAL H . . 5.180 4.202 4.079 4.356 . 0 0 "[ . 1 . 2]" 1
1004 1 55 TRP HD1 1 56 GLU H . . 5.160 4.168 3.699 4.672 . 0 0 "[ . 1 . 2]" 1
1005 1 55 TRP HA 1 55 TRP HD1 . . 5.090 4.265 4.208 4.376 . 0 0 "[ . 1 . 2]" 1
1006 1 78 VAL HA 1 79 THR H . . 3.130 2.313 2.263 2.364 . 0 0 "[ . 1 . 2]" 1
1007 1 76 TYR QD 1 78 VAL HA . . 4.250 3.390 3.108 3.751 . 0 0 "[ . 1 . 2]" 1
1008 1 78 VAL HA 1 79 THR HA . . 5.030 4.473 4.448 4.492 . 0 0 "[ . 1 . 2]" 1
1009 1 21 VAL HB 1 39 GLN H . . 4.490 3.021 2.539 3.322 . 0 0 "[ . 1 . 2]" 1
1010 1 21 VAL HB 1 38 TRP HA . . 5.100 4.916 4.550 5.145 0.045 4 0 "[ . 1 . 2]" 1
1011 1 21 VAL HB 1 22 GLY H . . 4.350 2.033 1.885 2.390 . 0 0 "[ . 1 . 2]" 1
1012 1 55 TRP HZ2 1 78 VAL HA . . 4.980 4.569 4.357 4.776 . 0 0 "[ . 1 . 2]" 1
1013 1 76 TYR QE 1 78 VAL HA . . 3.690 2.493 2.067 2.673 . 0 0 "[ . 1 . 2]" 1
1014 1 21 VAL HB 1 38 TRP HB3 . . 4.770 4.215 3.956 4.429 . 0 0 "[ . 1 . 2]" 1
1015 1 52 ARG H 1 94 MET HG3 . . 4.430 2.744 2.502 3.393 . 0 0 "[ . 1 . 2]" 1
1016 1 94 MET H 1 94 MET HG3 . . 3.960 2.985 2.298 3.409 . 0 0 "[ . 1 . 2]" 1
1017 1 50 GLY H 1 94 MET HG3 . . 5.140 4.895 4.612 5.203 0.063 13 0 "[ . 1 . 2]" 1
1018 1 51 TYR QD 1 94 MET HG3 . . 5.110 4.856 4.536 5.141 0.031 15 0 "[ . 1 . 2]" 1
1019 1 51 TYR HA 1 94 MET HG3 . . 3.680 2.670 2.299 3.040 . 0 0 "[ . 1 . 2]" 1
1020 1 94 MET HG3 1 99 GLN HG3 . . 4.100 3.211 2.774 3.766 . 0 0 "[ . 1 . 2]" 1
1021 1 92 ALA MB 1 94 MET HG3 . . 4.910 4.053 3.702 4.240 . 0 0 "[ . 1 . 2]" 1
1022 1 52 ARG H 1 94 MET HG2 . . 4.620 4.083 3.658 4.636 0.016 17 0 "[ . 1 . 2]" 1
1023 1 94 MET HG2 1 100 GLY H . . 4.640 4.653 4.320 4.750 0.110 6 0 "[ . 1 . 2]" 1
1024 1 94 MET HG2 1 95 THR H . . 4.710 4.392 4.117 4.686 . 0 0 "[ . 1 . 2]" 1
1025 1 94 MET H 1 94 MET HG2 . . 4.090 4.031 3.697 4.140 0.050 11 0 "[ . 1 . 2]" 1
1026 1 94 MET HA 1 94 MET HG2 . . 3.600 2.581 2.336 2.940 . 0 0 "[ . 1 . 2]" 1
1027 1 94 MET HG2 1 99 GLN HG3 . . 3.990 2.887 2.542 3.330 . 0 0 "[ . 1 . 2]" 1
1028 1 92 ALA MB 1 94 MET HG2 . . 4.850 4.399 4.160 4.604 . 0 0 "[ . 1 . 2]" 1
1029 1 15 GLU HB3 1 16 ASP H . . 4.210 3.117 2.505 4.188 . 0 0 "[ . 1 . 2]" 1
1030 1 15 GLU HB2 1 16 ASP H . . 4.670 4.188 3.676 4.707 0.037 15 0 "[ . 1 . 2]" 1
1031 1 38 TRP HD1 1 39 GLN H . . 4.650 3.140 2.867 3.591 . 0 0 "[ . 1 . 2]" 1
1032 1 70 PRO HA 1 71 ASN HA . . 4.630 4.188 4.183 4.194 . 0 0 "[ . 1 . 2]" 1
1033 1 50 GLY HA2 1 70 PRO HA . . 4.180 2.660 2.518 2.835 . 0 0 "[ . 1 . 2]" 1
1034 1 70 PRO HA 1 72 VAL MG2 . . 4.570 4.420 4.193 4.536 . 0 0 "[ . 1 . 2]" 1
1035 1 96 SER HB2 1 97 LYS H . . 4.900 4.191 3.369 4.598 . 0 0 "[ . 1 . 2]" 1
1036 1 49 THR MG 1 96 SER HB2 . . 4.090 3.722 2.620 4.175 0.085 16 0 "[ . 1 . 2]" 1
1037 1 96 SER HB3 1 97 LYS H . . 5.010 4.088 3.064 4.464 . 0 0 "[ . 1 . 2]" 1
1038 1 15 GLU HB2 1 17 VAL MG2 . . 4.940 3.768 2.480 4.768 . 0 0 "[ . 1 . 2]" 1
1039 1 12 ARG HB2 1 12 ARG HG3 . . 2.880 2.589 2.291 3.032 0.152 9 0 "[ . 1 . 2]" 1
1040 1 38 TRP HD1 1 51 TYR QE . . 4.550 4.015 3.689 4.293 . 0 0 "[ . 1 . 2]" 1
1041 1 21 VAL HB 1 38 TRP HD1 . . 3.960 2.693 2.515 2.937 . 0 0 "[ . 1 . 2]" 1
1042 1 88 THR HA 1 89 ILE H . . 3.140 2.155 2.149 2.185 . 0 0 "[ . 1 . 2]" 1
1043 1 88 THR HA 1 106 THR HA . . 3.430 2.334 2.247 2.499 . 0 0 "[ . 1 . 2]" 1
1044 1 88 THR HA 1 89 ILE HB . . 4.660 4.773 4.683 4.837 0.177 15 0 "[ . 1 . 2]" 1
1045 1 85 THR HA 1 86 THR H . . 2.980 2.244 2.150 2.302 . 0 0 "[ . 1 . 2]" 1
1046 1 85 THR HA 1 86 THR HB . . 4.770 4.628 4.541 4.713 . 0 0 "[ . 1 . 2]" 1
1047 1 84 LEU HA 1 85 THR HA . . 5.110 4.357 4.341 4.380 . 0 0 "[ . 1 . 2]" 1
1048 1 14 HIS HB3 1 15 GLU H . . 4.900 3.523 2.392 4.502 . 0 0 "[ . 1 . 2]" 1
1049 1 99 GLN HB2 1 100 GLY H . . 4.200 4.116 4.012 4.222 0.022 5 0 "[ . 1 . 2]" 1
1050 1 99 GLN H 1 99 GLN HB2 . . 3.920 2.898 2.623 3.250 . 0 0 "[ . 1 . 2]" 1
1051 1 92 ALA MB 1 99 GLN HB2 . . 4.040 4.111 4.054 4.169 0.129 18 0 "[ . 1 . 2]" 1
1052 1 99 GLN HB3 1 100 GLY H . . 4.310 4.024 3.893 4.219 . 0 0 "[ . 1 . 2]" 1
1053 1 99 GLN H 1 99 GLN HB3 . . 3.700 2.534 2.454 2.676 . 0 0 "[ . 1 . 2]" 1
1054 1 94 MET HA 1 99 GLN HB3 . . 5.240 4.985 4.761 5.304 0.064 20 0 "[ . 1 . 2]" 1
1055 1 92 ALA MB 1 99 GLN HB3 . . 4.250 4.246 4.131 4.330 0.080 15 0 "[ . 1 . 2]" 1
1056 1 17 VAL MG2 1 99 GLN HB3 . . 5.290 5.393 5.275 5.437 0.147 17 0 "[ . 1 . 2]" 1
1057 1 20 PRO HA 1 101 GLN QB . . 4.050 2.383 2.005 2.625 . 0 0 "[ . 1 . 2]" 1
1058 1 21 VAL HA 1 38 TRP HD1 . . 4.940 4.824 4.699 4.990 0.050 2 0 "[ . 1 . 2]" 1
1059 1 83 ALA MB 1 112 PRO HB2 . . 3.940 3.888 3.716 4.040 0.100 2 0 "[ . 1 . 2]" 1
1060 1 112 PRO HB3 1 113 PRO HD3 . . 4.250 4.084 4.059 4.093 . 0 0 "[ . 1 . 2]" 1
1061 1 112 PRO HB3 1 113 PRO HD2 . . 3.560 3.605 3.575 3.617 0.057 8 0 "[ . 1 . 2]" 1
1062 1 20 PRO HA 1 21 VAL H . . 3.440 2.169 2.151 2.202 . 0 0 "[ . 1 . 2]" 1
1063 1 11 VAL HA 1 12 ARG H . . 3.380 2.306 2.184 2.472 . 0 0 "[ . 1 . 2]" 1
1064 1 11 VAL HA 1 12 ARG HB3 . . 5.060 5.196 4.294 5.793 0.733 2 5 "[ + *. 1 * - *2]" 1
1065 1 21 VAL HA 1 41 PRO HB2 . . 4.550 3.786 3.595 3.935 . 0 0 "[ . 1 . 2]" 1
1066 1 11 VAL HA 1 11 VAL MG1 . . 3.050 3.092 2.437 3.219 0.169 4 0 "[ . 1 . 2]" 1
1067 1 13 THR HA 1 13 THR MG . . 3.110 2.821 2.307 3.242 0.132 18 0 "[ . 1 . 2]" 1
1068 1 63 THR HA 1 63 THR HB . . 2.960 2.466 2.372 2.646 . 0 0 "[ . 1 . 2]" 1
1069 1 63 THR HA 1 64 ARG HB3 . . 5.500 5.443 5.213 5.656 0.156 19 0 "[ . 1 . 2]" 1
1070 1 21 VAL MG2 1 38 TRP HB2 . . 4.370 2.284 2.054 2.385 . 0 0 "[ . 1 . 2]" 1
1071 1 23 HIS QB 1 24 LEU H . . 4.550 3.393 3.024 3.677 . 0 0 "[ . 1 . 2]" 1
1072 1 40 GLU HB2 1 51 TYR HH . . 4.760 4.463 4.123 4.811 0.051 20 0 "[ . 1 . 2]" 1
1073 1 40 GLU H 1 40 GLU HB2 . . 3.380 2.082 2.071 2.128 . 0 0 "[ . 1 . 2]" 1
1074 1 40 GLU HB2 1 41 PRO HD3 . . 4.560 4.668 4.587 4.723 0.163 17 0 "[ . 1 . 2]" 1
1075 1 40 GLU HB2 1 41 PRO HD2 . . 4.170 4.336 4.210 4.459 0.289 17 0 "[ . 1 . 2]" 1
1076 1 40 GLU HB2 1 48 LEU QD . . 4.570 4.489 4.326 4.591 0.021 18 0 "[ . 1 . 2]" 1
1077 1 40 GLU HB3 1 51 TYR HH . . 4.920 4.479 4.096 4.909 . 0 0 "[ . 1 . 2]" 1
1078 1 40 GLU H 1 40 GLU HB3 . . 3.370 3.237 3.024 3.302 . 0 0 "[ . 1 . 2]" 1
1079 1 40 GLU HB3 1 41 PRO HD3 . . 4.530 4.063 3.900 4.264 . 0 0 "[ . 1 . 2]" 1
1080 1 40 GLU HB3 1 41 PRO HD2 . . 4.070 3.222 2.992 3.518 . 0 0 "[ . 1 . 2]" 1
1081 1 40 GLU HB3 1 48 LEU QD . . 4.590 3.783 3.530 4.364 . 0 0 "[ . 1 . 2]" 1
1082 1 40 GLU HB3 1 74 LEU QD . . 4.730 4.453 4.391 4.518 . 0 0 "[ . 1 . 2]" 1
1083 1 49 THR HA 1 71 ASN HD21 . . 4.550 3.829 2.076 4.389 . 0 0 "[ . 1 . 2]" 1
1084 1 49 THR HA 1 95 THR HA . . 5.060 4.590 4.251 4.904 . 0 0 "[ . 1 . 2]" 1
1085 1 49 THR HA 1 50 GLY HA2 . . 5.150 4.582 4.523 4.661 . 0 0 "[ . 1 . 2]" 1
1086 1 49 THR HA 1 71 ASN HB3 . . 4.320 2.709 2.151 3.273 . 0 0 "[ . 1 . 2]" 1
1087 1 49 THR HA 1 49 THR MG . . 3.000 2.401 2.240 2.555 . 0 0 "[ . 1 . 2]" 1
1088 1 65 VAL HA 1 66 THR H . . 2.970 2.415 2.352 2.435 . 0 0 "[ . 1 . 2]" 1
1089 1 65 VAL HA 1 65 VAL QG . . 3.120 2.152 2.067 2.299 . 0 0 "[ . 1 . 2]" 1
1090 1 43 GLU H 1 43 GLU HB2 . . 3.670 2.552 2.144 3.472 . 0 0 "[ . 1 . 2]" 1
1091 1 19 GLY HA3 1 43 GLU HB2 . . 4.240 2.834 2.266 3.507 . 0 0 "[ . 1 . 2]" 1
1092 1 43 GLU HB2 1 45 ASN HD22 . . 4.590 4.082 2.014 5.148 0.558 16 3 "[ . 1* .+ -2]" 1
1093 1 101 GLN QB 1 102 VAL H . . 3.970 2.742 2.121 3.155 . 0 0 "[ . 1 . 2]" 1
1094 1 101 GLN H 1 101 GLN QB . . 3.330 2.058 2.000 2.744 . 0 0 "[ . 1 . 2]" 1
1095 1 19 GLY HA2 1 101 GLN QB . . 4.070 1.989 1.946 2.083 . 0 0 "[ . 1 . 2]" 1
1096 1 20 PRO HD3 1 101 GLN QB . . 3.810 2.580 2.390 2.928 . 0 0 "[ . 1 . 2]" 1
1097 1 77 ARG HB3 1 78 VAL H . . 4.940 4.226 3.979 4.449 . 0 0 "[ . 1 . 2]" 1
1098 1 76 TYR HA 1 77 ARG HB3 . . 4.830 4.742 4.491 4.944 0.114 13 0 "[ . 1 . 2]" 1
1099 1 77 ARG HB3 1 77 ARG HD3 . . 4.210 3.436 2.910 3.790 . 0 0 "[ . 1 . 2]" 1
1100 1 77 ARG HB2 1 78 VAL H . . 4.890 4.353 4.201 4.492 . 0 0 "[ . 1 . 2]" 1
1101 1 35 LYS HA 1 77 ARG HB2 . . 5.080 3.820 3.391 4.039 . 0 0 "[ . 1 . 2]" 1
1102 1 35 LYS QG 1 77 ARG HB2 . . 4.380 3.160 2.488 4.346 . 0 0 "[ . 1 . 2]" 1
1103 1 35 LYS HA 1 77 ARG HB3 . . 5.280 4.802 4.554 4.933 . 0 0 "[ . 1 . 2]" 1
1104 1 55 TRP HH2 1 76 TYR QD . . 4.890 4.710 4.181 4.996 0.106 12 0 "[ . 1 . 2]" 1
1105 1 72 VAL HA 1 72 VAL HB . . 2.960 2.399 2.369 2.454 . 0 0 "[ . 1 . 2]" 1
1106 1 96 SER HA 1 98 GLY H . . 4.750 4.693 4.537 4.875 0.125 13 0 "[ . 1 . 2]" 1
1107 1 95 THR HA 1 96 SER HA . . 5.060 4.248 4.239 4.259 . 0 0 "[ . 1 . 2]" 1
1108 1 49 THR MG 1 96 SER HA . . 3.880 2.558 1.957 3.108 . 0 0 "[ . 1 . 2]" 1
1109 1 95 THR HB 1 96 SER HA . . 4.720 4.495 4.436 4.667 . 0 0 "[ . 1 . 2]" 1
1110 1 44 LYS HA 1 44 LYS HD3 . . 4.850 4.007 3.089 4.512 . 0 0 "[ . 1 . 2]" 1
1111 1 44 LYS HB3 1 44 LYS HD3 . . 3.830 2.367 2.183 2.827 . 0 0 "[ . 1 . 2]" 1
1112 1 44 LYS HD3 1 48 LEU QD . . 4.080 2.580 1.838 2.873 . 0 0 "[ . 1 . 2]" 1
1113 1 53 ILE MG 1 55 TRP HH2 . . 5.150 4.971 4.545 5.212 0.062 5 0 "[ . 1 . 2]" 1
1114 1 55 TRP HH2 1 78 VAL QG . . 5.090 3.813 2.902 4.637 . 0 0 "[ . 1 . 2]" 1
1115 1 82 THR HA 1 83 ALA H . . 2.950 2.275 2.214 2.324 . 0 0 "[ . 1 . 2]" 1
1116 1 82 THR HA 1 83 ALA MB . . 3.890 3.943 3.876 3.989 0.099 4 0 "[ . 1 . 2]" 1
1117 1 57 GLU HB2 1 58 TYR H . . 4.990 3.751 3.429 3.926 . 0 0 "[ . 1 . 2]" 1
1118 1 44 LYS H 1 44 LYS HD2 . . 4.920 4.276 3.297 5.265 0.345 6 0 "[ . 1 . 2]" 1
1119 1 44 LYS HA 1 44 LYS HD2 . . 4.640 4.573 3.719 4.719 0.079 18 0 "[ . 1 . 2]" 1
1120 1 44 LYS HD2 1 48 LEU QD . . 3.980 3.723 2.619 3.933 . 0 0 "[ . 1 . 2]" 1
1121 1 44 LYS H 1 44 LYS HD3 . . 5.160 4.678 4.267 4.994 . 0 0 "[ . 1 . 2]" 1
1122 1 57 GLU HB2 1 85 THR MG . . 4.680 4.674 4.552 4.757 0.077 1 0 "[ . 1 . 2]" 1
1123 1 57 GLU HB2 1 60 ARG HB3 . . 4.250 3.256 2.075 3.685 . 0 0 "[ . 1 . 2]" 1
1124 1 57 GLU H 1 57 GLU HB3 . . 4.040 3.453 3.369 3.934 . 0 0 "[ . 1 . 2]" 1
1125 1 57 GLU HB3 1 60 ARG HB3 . . 4.040 4.111 3.217 4.465 0.425 9 0 "[ . 1 . 2]" 1
1126 1 57 GLU HB3 1 85 THR MG . . 3.980 4.014 3.819 4.108 0.128 2 0 "[ . 1 . 2]" 1
1127 1 53 ILE HG12 1 91 VAL MG2 . . 4.380 3.650 3.427 4.101 . 0 0 "[ . 1 . 2]" 1
1128 1 52 ARG H 1 91 VAL HA . . 5.060 4.962 4.547 5.115 0.055 9 0 "[ . 1 . 2]" 1
1129 1 54 SER H 1 91 VAL HA . . 4.520 3.735 3.566 3.983 . 0 0 "[ . 1 . 2]" 1
1130 1 91 VAL HA 1 92 ALA H . . 3.130 2.184 2.181 2.202 . 0 0 "[ . 1 . 2]" 1
1131 1 53 ILE HA 1 91 VAL HA . . 3.710 2.342 2.205 2.481 . 0 0 "[ . 1 . 2]" 1
1132 1 53 ILE HG13 1 91 VAL HA . . 4.840 3.308 2.961 3.934 . 0 0 "[ . 1 . 2]" 1
1133 1 53 ILE HB 1 91 VAL HA . . 4.020 3.541 3.375 3.791 . 0 0 "[ . 1 . 2]" 1
1134 1 89 ILE MG 1 91 VAL HA . . 4.700 4.511 4.448 4.580 . 0 0 "[ . 1 . 2]" 1
1135 1 53 ILE HG13 1 55 TRP HE3 . . 4.790 4.436 3.569 4.839 0.049 5 0 "[ . 1 . 2]" 1
1136 1 35 LYS QD 1 36 VAL H . . 5.080 3.351 2.362 4.601 . 0 0 "[ . 1 . 2]" 1
1137 1 35 LYS HB3 1 35 LYS QD . . 3.900 2.363 2.119 3.098 . 0 0 "[ . 1 . 2]" 1
1138 1 35 LYS H 1 35 LYS QD . . 5.160 4.419 3.787 4.727 . 0 0 "[ . 1 . 2]" 1
1139 1 35 LYS QD 1 75 GLU HB2 . . 4.140 2.661 1.891 3.998 . 0 0 "[ . 1 . 2]" 1
1140 1 35 LYS HA 1 35 LYS QD . . 4.640 3.478 3.029 4.108 . 0 0 "[ . 1 . 2]" 1
1141 1 88 THR H 1 106 THR HA . . 5.100 4.615 4.498 4.793 . 0 0 "[ . 1 . 2]" 1
1142 1 86 THR MG 1 106 THR HA . . 4.920 3.904 3.494 4.122 . 0 0 "[ . 1 . 2]" 1
1143 1 89 ILE MD 1 106 THR HA . . 5.240 5.162 4.958 5.416 0.176 19 0 "[ . 1 . 2]" 1
1144 1 55 TRP HA 1 89 ILE QG . . 4.500 4.163 4.091 4.313 . 0 0 "[ . 1 . 2]" 1
1145 1 89 ILE HA 1 89 ILE QG . . 3.880 3.179 3.085 3.231 . 0 0 "[ . 1 . 2]" 1
1146 1 55 TRP HE3 1 89 ILE QG . . 4.600 5.231 4.942 5.453 0.853 1 16 "[+* **** **-***** **2]" 1
1147 1 89 ILE H 1 89 ILE QG . . 4.000 2.193 1.966 2.451 . 0 0 "[ . 1 . 2]" 1
1148 1 26 PHE QE 1 89 ILE QG . . 4.290 2.505 1.906 2.921 . 0 0 "[ . 1 . 2]" 1
1149 1 26 PHE HZ 1 89 ILE QG . . 4.750 2.636 2.240 3.314 . 0 0 "[ . 1 . 2]" 1
1150 1 55 TRP HB3 1 89 ILE QG . . 4.050 3.771 3.571 3.910 . 0 0 "[ . 1 . 2]" 1
1151 1 55 TRP HB2 1 89 ILE QG . . 4.050 3.794 3.689 3.865 . 0 0 "[ . 1 . 2]" 1
1152 1 87 TYR HB2 1 89 ILE QG . . 4.780 4.531 3.843 4.613 . 0 0 "[ . 1 . 2]" 1
1153 1 36 VAL QG 1 89 ILE QG . . 4.030 2.282 1.997 3.224 . 0 0 "[ . 1 . 2]" 1
1154 1 78 VAL QG 1 89 ILE QG . . 4.490 3.123 2.786 3.762 . 0 0 "[ . 1 . 2]" 1
1155 1 49 THR H 1 95 THR HA . . 3.660 2.264 1.932 2.533 . 0 0 "[ . 1 . 2]" 1
1156 1 49 THR MG 1 95 THR HA . . 3.430 2.484 2.138 2.823 . 0 0 "[ . 1 . 2]" 1
1157 1 47 ILE HA 1 48 LEU H . . 2.900 2.209 2.177 2.259 . 0 0 "[ . 1 . 2]" 1
1158 1 46 GLY HA2 1 47 ILE HA . . 5.130 4.436 4.305 4.565 . 0 0 "[ . 1 . 2]" 1
1159 1 47 ILE HA 1 48 LEU HB2 . . 4.650 4.772 4.577 4.928 0.278 9 0 "[ . 1 . 2]" 1
1160 1 47 ILE HA 1 47 ILE QG . . 3.560 2.803 2.338 2.912 . 0 0 "[ . 1 . 2]" 1
1161 1 47 ILE HA 1 95 THR MG . . 4.830 4.194 3.944 4.680 . 0 0 "[ . 1 . 2]" 1
1162 1 88 THR H 1 89 ILE HA . . 4.660 4.717 4.593 4.820 0.160 19 0 "[ . 1 . 2]" 1
1163 1 89 ILE HA 1 90 GLU H . . 3.080 2.178 2.176 2.180 . 0 0 "[ . 1 . 2]" 1
1164 1 56 GLU H 1 89 ILE HA . . 4.580 3.485 3.320 4.112 . 0 0 "[ . 1 . 2]" 1
1165 1 55 TRP HB3 1 89 ILE HA . . 4.420 3.385 3.156 3.578 . 0 0 "[ . 1 . 2]" 1
1166 1 55 TRP HB2 1 89 ILE HA . . 4.520 3.680 3.584 3.749 . 0 0 "[ . 1 . 2]" 1
1167 1 21 VAL HA 1 41 PRO HG2 . . 4.520 4.079 3.757 4.250 . 0 0 "[ . 1 . 2]" 1
1168 1 18 PRO HB3 1 41 PRO HG2 . . 4.500 3.330 3.005 3.662 . 0 0 "[ . 1 . 2]" 1
1169 1 41 PRO HG2 1 44 LYS HG2 . . 4.630 3.140 2.616 3.720 . 0 0 "[ . 1 . 2]" 1
1170 1 41 PRO HG2 1 48 LEU QD . . 3.670 2.669 2.361 3.154 . 0 0 "[ . 1 . 2]" 1
1171 1 41 PRO HG3 1 51 TYR QE . . 4.890 3.266 2.862 3.710 . 0 0 "[ . 1 . 2]" 1
1172 1 21 VAL HA 1 41 PRO HG3 . . 4.110 2.710 2.325 3.024 . 0 0 "[ . 1 . 2]" 1
1173 1 21 VAL HB 1 41 PRO HG3 . . 5.150 4.538 4.193 4.830 . 0 0 "[ . 1 . 2]" 1
1174 1 40 GLU QG 1 41 PRO HG3 . . 4.590 4.743 4.526 4.907 0.317 13 0 "[ . 1 . 2]" 1
1175 1 41 PRO HG3 1 44 LYS HG2 . . 5.020 4.740 4.226 5.298 0.278 13 0 "[ . 1 . 2]" 1
1176 1 41 PRO HG3 1 48 LEU QD . . 4.410 3.473 3.092 3.763 . 0 0 "[ . 1 . 2]" 1
1177 1 97 LYS QD 1 98 GLY H . . 5.190 4.462 3.809 5.322 0.132 13 0 "[ . 1 . 2]" 1
1178 1 16 ASP HB2 1 97 LYS QD . . 4.950 3.742 2.926 4.531 . 0 0 "[ . 1 . 2]" 1
1179 1 36 VAL HA 1 37 SER H . . 3.110 2.267 2.197 2.430 . 0 0 "[ . 1 . 2]" 1
1180 1 26 PHE QD 1 36 VAL HA . . 4.130 2.229 2.024 2.742 . 0 0 "[ . 1 . 2]" 1
1181 1 34 LEU QD 1 36 VAL HA . . 4.850 3.441 3.343 3.639 . 0 0 "[ . 1 . 2]" 1
1182 1 41 PRO HG2 1 51 TYR QE . . 5.010 4.130 3.688 4.525 . 0 0 "[ . 1 . 2]" 1
1183 1 26 PHE HB3 1 36 VAL HA . . 4.980 4.573 3.721 4.905 . 0 0 "[ . 1 . 2]" 1
1184 1 29 ILE H 1 29 ILE HG12 . . 3.750 2.875 2.627 3.059 . 0 0 "[ . 1 . 2]" 1
1185 1 26 PHE HB2 1 29 ILE HG12 . . 5.020 4.402 4.087 4.725 . 0 0 "[ . 1 . 2]" 1
1186 1 29 ILE HG12 1 34 LEU HB3 . . 4.770 3.106 2.574 3.449 . 0 0 "[ . 1 . 2]" 1
1187 1 29 ILE HG12 1 107 ILE MD . . 4.890 4.397 3.625 4.761 . 0 0 "[ . 1 . 2]" 1
1188 1 29 ILE HG12 1 34 LEU QD . . 4.190 3.246 3.060 3.455 . 0 0 "[ . 1 . 2]" 1
1189 1 107 ILE QG 1 108 SER H . . 3.890 2.819 2.558 2.924 . 0 0 "[ . 1 . 2]" 1
1190 1 29 ILE MD 1 107 ILE QG . . 3.900 2.094 1.885 2.577 . 0 0 "[ . 1 . 2]" 1
1191 1 26 PHE HB3 1 29 ILE HG13 . . 5.040 3.634 3.405 3.803 . 0 0 "[ . 1 . 2]" 1
1192 1 29 ILE HG13 1 34 LEU HB3 . . 4.960 4.565 4.093 4.855 . 0 0 "[ . 1 . 2]" 1
1193 1 26 PHE QE 1 107 ILE QG . . 5.230 3.887 3.482 4.199 . 0 0 "[ . 1 . 2]" 1
1194 1 26 PHE HB2 1 107 ILE QG . . 4.850 3.455 2.885 3.900 . 0 0 "[ . 1 . 2]" 1
1195 1 34 LEU QD 1 107 ILE QG . . 3.590 2.242 2.097 3.153 . 0 0 "[ . 1 . 2]" 1
1196 1 34 LEU QD 1 110 GLY H . . 4.490 4.234 4.067 4.508 0.018 2 0 "[ . 1 . 2]" 1
1197 1 26 PHE QD 1 34 LEU QD . . 3.380 2.572 1.788 2.990 . 0 0 "[ . 1 . 2]" 1
1198 1 34 LEU QD 1 109 SER HA . . 3.680 2.935 2.096 3.129 . 0 0 "[ . 1 . 2]" 1
1199 1 29 ILE HB 1 34 LEU QD . . 5.090 4.431 4.339 4.497 . 0 0 "[ . 1 . 2]" 1
1200 1 29 ILE MG 1 34 LEU QD . . 3.130 1.922 1.900 1.946 . 0 0 "[ . 1 . 2]" 1
1201 1 34 LEU QD 1 107 ILE MG . . 3.010 2.052 1.872 2.221 . 0 0 "[ . 1 . 2]" 1
1202 1 34 LEU QD 1 78 VAL QG . . 3.930 2.318 1.670 2.624 . 0 0 "[ . 1 . 2]" 1
1203 1 32 THR HA 1 81 LEU HB2 . . 3.920 1.961 1.820 1.999 . 0 0 "[ . 1 . 2]" 1
1204 1 32 THR HA 1 81 LEU MD2 . . 4.660 4.637 4.399 4.743 0.083 2 0 "[ . 1 . 2]" 1
1205 1 58 TYR HA 1 88 THR H . . 4.870 4.057 3.527 4.285 . 0 0 "[ . 1 . 2]" 1
1206 1 58 TYR HA 1 58 TYR QD . . 3.610 2.587 2.444 2.715 . 0 0 "[ . 1 . 2]" 1
1207 1 27 SER HA 1 29 ILE HG12 . . 5.060 3.785 3.530 4.038 . 0 0 "[ . 1 . 2]" 1
1208 1 30 LEU H 1 34 LEU QD . . 4.550 4.153 3.822 4.305 . 0 0 "[ . 1 . 2]" 1
1209 1 34 LEU HA 1 34 LEU QD . . 4.030 3.315 3.225 3.409 . 0 0 "[ . 1 . 2]" 1
1210 1 34 LEU QD 1 107 ILE HB . . 4.080 3.937 3.853 4.027 . 0 0 "[ . 1 . 2]" 1
1211 1 32 THR HA 1 81 LEU H . . 3.990 3.084 2.758 3.377 . 0 0 "[ . 1 . 2]" 1
1212 1 32 THR HA 1 81 LEU HG . . 4.430 3.748 3.439 4.379 . 0 0 "[ . 1 . 2]" 1
1213 1 58 TYR HA 1 60 ARG H . . 4.750 4.831 4.580 4.917 0.167 14 0 "[ . 1 . 2]" 1
1214 1 84 LEU H 1 111 VAL HA . . 4.900 3.182 3.080 3.250 . 0 0 "[ . 1 . 2]" 1
1215 1 31 ASP HA 1 111 VAL HA . . 4.540 3.403 3.226 3.579 . 0 0 "[ . 1 . 2]" 1
1216 1 111 VAL HA 1 112 PRO HD2 . . 2.960 2.538 2.516 2.551 . 0 0 "[ . 1 . 2]" 1
1217 1 31 ASP HB2 1 111 VAL HA . . 4.890 4.252 3.548 4.748 . 0 0 "[ . 1 . 2]" 1
1218 1 84 LEU HB2 1 111 VAL HA . . 5.090 5.206 5.157 5.250 0.160 6 0 "[ . 1 . 2]" 1
1219 1 84 LEU HG 1 111 VAL HA . . 3.610 3.081 2.798 3.181 . 0 0 "[ . 1 . 2]" 1
1220 1 83 ALA MB 1 111 VAL HA . . 3.870 3.617 3.337 3.836 . 0 0 "[ . 1 . 2]" 1
1221 1 111 VAL HA 1 111 VAL MG2 . . 3.570 2.436 2.373 2.464 . 0 0 "[ . 1 . 2]" 1
1222 1 19 GLY H 1 44 LYS HA . . 4.840 4.351 3.821 4.807 . 0 0 "[ . 1 . 2]" 1
1223 1 18 PRO HA 1 44 LYS HA . . 4.330 4.042 3.532 4.392 0.062 20 0 "[ . 1 . 2]" 1
1224 1 18 PRO HB3 1 44 LYS HA . . 4.260 2.373 1.959 2.764 . 0 0 "[ . 1 . 2]" 1
1225 1 44 LYS HA 1 44 LYS HG3 . . 4.010 3.159 2.611 3.769 . 0 0 "[ . 1 . 2]" 1
1226 1 44 LYS HA 1 44 LYS HG2 . . 3.890 2.315 2.139 2.678 . 0 0 "[ . 1 . 2]" 1
1227 1 44 LYS HA 1 48 LEU QD . . 3.650 2.297 1.906 2.546 . 0 0 "[ . 1 . 2]" 1
1228 1 17 VAL HA 1 18 PRO HG3 . . 4.620 4.353 4.346 4.365 . 0 0 "[ . 1 . 2]" 1
1229 1 18 PRO HG3 1 95 THR MG . . 3.670 1.830 1.758 1.932 . 0 0 "[ . 1 . 2]" 1
1230 1 111 VAL HA 1 112 PRO HG3 . . 4.260 4.200 4.195 4.202 . 0 0 "[ . 1 . 2]" 1
1231 1 18 PRO HG2 1 100 GLY H . . 4.840 3.196 3.033 3.523 . 0 0 "[ . 1 . 2]" 1
1232 1 18 PRO HG2 1 100 GLY HA2 . . 5.030 4.816 4.661 4.913 . 0 0 "[ . 1 . 2]" 1
1233 1 18 PRO HG2 1 100 GLY HA3 . . 4.650 3.254 3.048 3.349 . 0 0 "[ . 1 . 2]" 1
1234 1 17 VAL HA 1 18 PRO HG2 . . 4.860 4.778 4.768 4.795 . 0 0 "[ . 1 . 2]" 1
1235 1 18 PRO HG2 1 95 THR MG . . 3.930 3.175 2.816 3.390 . 0 0 "[ . 1 . 2]" 1
1236 1 47 ILE H 1 47 ILE QG . . 3.690 3.039 2.480 3.554 . 0 0 "[ . 1 . 2]" 1
1237 1 56 GLU HB3 1 64 ARG QG . . 5.060 2.385 1.923 3.805 . 0 0 "[ . 1 . 2]" 1
1238 1 47 ILE QG 1 47 ILE MG . . 2.930 2.183 2.079 2.215 . 0 0 "[ . 1 . 2]" 1
1239 1 76 TYR HA 1 77 ARG HB2 . . 4.560 4.395 4.218 4.611 0.051 2 0 "[ . 1 . 2]" 1
1240 1 75 GLU QG 1 76 TYR HA . . 5.030 3.694 3.385 4.234 . 0 0 "[ . 1 . 2]" 1
1241 1 31 ASP HB3 1 111 VAL HA . . 5.000 3.512 3.393 3.652 . 0 0 "[ . 1 . 2]" 1
1242 1 83 ALA MB 1 112 PRO HG2 . . 3.930 3.173 3.101 3.446 . 0 0 "[ . 1 . 2]" 1
1243 1 30 LEU QD 1 113 PRO QG . . 4.110 3.347 3.192 3.443 . 0 0 "[ . 1 . 2]" 1
1244 1 17 VAL HA 1 100 GLY HA3 . . 4.860 4.478 4.290 4.653 . 0 0 "[ . 1 . 2]" 1
1245 1 17 VAL HA 1 18 PRO HD2 . . 3.340 2.890 2.877 2.911 . 0 0 "[ . 1 . 2]" 1
1246 1 17 VAL HA 1 18 PRO HD3 . . 3.590 2.105 2.096 2.120 . 0 0 "[ . 1 . 2]" 1
1247 1 17 VAL HA 1 100 GLY HA2 . . 4.950 4.712 4.599 5.004 0.054 15 0 "[ . 1 . 2]" 1
1248 1 76 TYR HA 1 77 ARG H . . 3.110 2.331 2.237 2.361 . 0 0 "[ . 1 . 2]" 1
1249 1 76 TYR HA 1 76 TYR QD . . 3.520 3.104 3.023 3.271 . 0 0 "[ . 1 . 2]" 1
1250 1 38 TRP HH2 1 76 TYR HA . . 4.910 5.000 4.966 5.030 0.120 19 0 "[ . 1 . 2]" 1
1251 1 76 TYR HA 1 76 TYR QE . . 4.810 4.869 4.806 4.987 0.177 12 0 "[ . 1 . 2]" 1
1252 1 70 PRO QG 1 72 VAL H . . 4.090 3.023 2.983 3.082 . 0 0 "[ . 1 . 2]" 1
1253 1 69 LEU HA 1 70 PRO QG . . 4.010 3.992 3.982 4.004 . 0 0 "[ . 1 . 2]" 1
1254 1 70 PRO QG 1 72 VAL MG1 . . 4.730 3.811 3.663 3.977 . 0 0 "[ . 1 . 2]" 1
1255 1 70 PRO QG 1 73 THR HB . . 4.280 2.890 2.801 2.990 . 0 0 "[ . 1 . 2]" 1
1256 1 47 ILE HA 1 48 LEU HG . . 4.840 4.494 3.692 5.498 0.658 16 6 "[ *. *1- .+ **]" 1
1257 1 69 LEU H 1 69 LEU HG . . 3.720 2.637 2.114 2.856 . 0 0 "[ . 1 . 2]" 1
1258 1 69 LEU HA 1 69 LEU HG . . 3.970 3.131 3.094 3.171 . 0 0 "[ . 1 . 2]" 1
1259 1 17 VAL HA 1 95 THR HG1 . . 5.110 2.650 2.126 3.197 . 0 0 "[ . 1 . 2]" 1
1260 1 17 VAL HA 1 95 THR MG . . 4.060 3.449 3.190 3.808 . 0 0 "[ . 1 . 2]" 1
1261 1 28 GLU HB3 1 35 LYS HB2 . . 4.500 4.309 3.725 4.536 0.036 17 0 "[ . 1 . 2]" 1
1262 1 12 ARG HA 1 12 ARG HG2 . . 4.150 2.861 2.227 4.099 . 0 0 "[ . 1 . 2]" 1
1263 1 12 ARG HB3 1 12 ARG HG2 . . 2.720 2.493 2.271 2.797 0.077 15 0 "[ . 1 . 2]" 1
1264 1 30 LEU HG 1 31 ASP H . . 4.580 4.128 4.014 4.465 . 0 0 "[ . 1 . 2]" 1
1265 1 34 LEU H 1 77 ARG HG3 . . 5.020 4.033 3.107 5.102 0.082 5 0 "[ . 1 . 2]" 1
1266 1 74 LEU H 1 74 LEU HG . . 3.710 2.706 2.582 2.769 . 0 0 "[ . 1 . 2]" 1
1267 1 74 LEU HG 1 75 GLU H . . 4.790 4.384 4.317 4.419 . 0 0 "[ . 1 . 2]" 1
1268 1 33 SER QB 1 77 ARG HG2 . . 4.600 3.941 3.359 4.178 . 0 0 "[ . 1 . 2]" 1
1269 1 20 PRO QG 1 21 VAL H . . 5.180 4.879 4.800 4.944 . 0 0 "[ . 1 . 2]" 1
1270 1 19 GLY HA2 1 20 PRO QG . . 4.850 4.499 4.407 4.565 . 0 0 "[ . 1 . 2]" 1
1271 1 35 LYS HA 1 77 ARG HG3 . . 4.460 3.653 3.310 4.386 . 0 0 "[ . 1 . 2]" 1
1272 1 77 ARG HA 1 77 ARG HG3 . . 3.860 2.765 2.372 3.492 . 0 0 "[ . 1 . 2]" 1
1273 1 77 ARG HG2 1 78 VAL H . . 4.600 3.473 2.481 4.462 . 0 0 "[ . 1 . 2]" 1
1274 1 77 ARG H 1 77 ARG HG2 . . 4.830 4.430 4.230 4.547 . 0 0 "[ . 1 . 2]" 1
1275 1 24 LEU HG 1 25 SER H . . 5.500 4.478 2.915 5.009 . 0 0 "[ . 1 . 2]" 1
1276 1 24 LEU HG 1 36 VAL QG . . 4.570 4.089 2.871 4.599 0.029 15 0 "[ . 1 . 2]" 1
1277 1 84 LEU HG 1 112 PRO HD2 . . 3.640 3.112 3.009 3.557 . 0 0 "[ . 1 . 2]" 1
1278 1 113 PRO QG 1 114 SER HA . . 4.850 4.780 4.408 5.063 0.213 6 0 "[ . 1 . 2]" 1
1279 1 113 PRO HB2 1 114 SER HA . . 4.820 4.395 3.727 4.870 0.050 16 0 "[ . 1 . 2]" 1
1280 1 84 LEU HG 1 111 VAL MG2 . . 3.920 3.094 2.999 3.296 . 0 0 "[ . 1 . 2]" 1
1281 1 44 LYS H 1 44 LYS HG2 . . 4.730 3.026 2.764 3.542 . 0 0 "[ . 1 . 2]" 1
1282 1 48 LEU QD 1 51 TYR HH . . 3.760 2.365 1.930 2.876 . 0 0 "[ . 1 . 2]" 1
1283 1 48 LEU H 1 48 LEU QD . . 3.910 2.344 1.687 3.008 . 0 0 "[ . 1 . 2]" 1
1284 1 48 LEU QD 1 94 MET H . . 4.150 3.553 3.209 3.982 . 0 0 "[ . 1 . 2]" 1
1285 1 48 LEU QD 1 50 GLY H . . 4.520 4.124 3.876 4.346 . 0 0 "[ . 1 . 2]" 1
1286 1 48 LEU QD 1 51 TYR QE . . 3.970 2.987 2.083 3.626 . 0 0 "[ . 1 . 2]" 1
1287 1 41 PRO HD3 1 48 LEU QD . . 4.000 3.279 2.879 3.647 . 0 0 "[ . 1 . 2]" 1
1288 1 41 PRO HD2 1 48 LEU QD . . 3.620 2.292 1.904 2.643 . 0 0 "[ . 1 . 2]" 1
1289 1 48 LEU QD 1 71 ASN HB2 . . 4.920 3.501 3.119 3.736 . 0 0 "[ . 1 . 2]" 1
1290 1 44 LYS HG2 1 48 LEU QD . . 3.650 2.355 1.936 3.159 . 0 0 "[ . 1 . 2]" 1
1291 1 108 SER HA 1 109 SER HA . . 5.210 4.336 4.286 4.445 . 0 0 "[ . 1 . 2]" 1
1292 1 109 SER HA 1 110 GLY HA3 . . 4.450 4.492 4.446 4.663 0.213 2 0 "[ . 1 . 2]" 1
1293 1 53 ILE HG12 1 55 TRP HE3 . . 4.330 3.002 2.381 3.343 . 0 0 "[ . 1 . 2]" 1
1294 1 55 TRP HZ3 1 78 VAL QG . . 4.670 2.931 2.249 4.133 . 0 0 "[ . 1 . 2]" 1
1295 1 87 TYR QD 1 109 SER HA . . 5.150 4.877 4.314 5.081 . 0 0 "[ . 1 . 2]" 1
1296 1 60 ARG H 1 60 ARG HG3 . . 4.440 3.185 2.618 4.092 . 0 0 "[ . 1 . 2]" 1
1297 1 52 ARG HG2 1 66 THR MG . . 4.160 3.603 2.844 4.163 0.003 17 0 "[ . 1 . 2]" 1
1298 1 52 ARG HG3 1 66 THR MG . . 4.120 3.353 2.863 3.586 . 0 0 "[ . 1 . 2]" 1
1299 1 55 TRP HE3 1 76 TYR QD . . 5.230 3.875 3.670 4.351 . 0 0 "[ . 1 . 2]" 1
1300 1 55 TRP HZ3 1 67 HIS HB3 . . 5.100 4.620 4.412 5.024 . 0 0 "[ . 1 . 2]" 1
1301 1 53 ILE HG12 1 55 TRP HZ3 . . 4.740 4.224 3.164 4.766 0.026 2 0 "[ . 1 . 2]" 1
1302 1 53 ILE HA 1 54 SER H . . 3.310 2.301 2.270 2.322 . 0 0 "[ . 1 . 2]" 1
1303 1 53 ILE HA 1 92 ALA H . . 4.480 3.248 3.000 3.641 . 0 0 "[ . 1 . 2]" 1
1304 1 53 ILE HA 1 53 ILE HG13 . . 3.720 2.501 2.329 2.633 . 0 0 "[ . 1 . 2]" 1
1305 1 53 ILE HA 1 53 ILE HG12 . . 3.880 3.079 2.893 3.460 . 0 0 "[ . 1 . 2]" 1
1306 1 87 TYR HA 1 88 THR H . . 3.140 2.352 2.264 2.450 . 0 0 "[ . 1 . 2]" 1
1307 1 56 GLU H 1 87 TYR HA . . 4.770 4.667 4.325 4.937 0.167 19 0 "[ . 1 . 2]" 1
1308 1 58 TYR H 1 87 TYR HA . . 3.730 3.078 2.731 3.421 . 0 0 "[ . 1 . 2]" 1
1309 1 87 TYR HA 1 87 TYR QD . . 3.950 3.035 2.896 3.120 . 0 0 "[ . 1 . 2]" 1
1310 1 58 TYR HA 1 87 TYR HA . . 4.850 3.576 3.206 4.109 . 0 0 "[ . 1 . 2]" 1
1311 1 87 TYR HA 1 88 THR HB . . 4.390 4.078 3.960 4.245 . 0 0 "[ . 1 . 2]" 1
1312 1 57 GLU QG 1 87 TYR HA . . 5.130 3.691 3.393 4.120 . 0 0 "[ . 1 . 2]" 1
1313 1 68 TYR HA 1 69 LEU QB . . 4.390 4.544 4.469 4.681 0.291 3 0 "[ . 1 . 2]" 1
1314 1 68 TYR HA 1 69 LEU HG . . 4.170 3.408 3.325 3.586 . 0 0 "[ . 1 . 2]" 1
1315 1 37 SER HA 1 75 GLU HB3 . . 4.220 2.473 2.141 2.762 . 0 0 "[ . 1 . 2]" 1
1316 1 37 SER HA 1 38 TRP HZ3 . . 5.150 4.011 3.686 4.570 . 0 0 "[ . 1 . 2]" 1
1317 1 37 SER HA 1 38 TRP HB3 . . 5.260 4.508 4.437 4.638 . 0 0 "[ . 1 . 2]" 1
1318 1 37 SER HA 1 75 GLU HB2 . . 4.260 2.801 2.564 3.225 . 0 0 "[ . 1 . 2]" 1
1319 1 69 LEU H 1 69 LEU MD1 . . 4.520 3.737 3.202 3.938 . 0 0 "[ . 1 . 2]" 1
1320 1 51 TYR H 1 69 LEU MD1 . . 4.600 4.425 4.216 4.602 0.002 6 0 "[ . 1 . 2]" 1
1321 1 69 LEU MD1 1 74 LEU H . . 4.950 4.837 4.707 5.043 0.093 15 0 "[ . 1 . 2]" 1
1322 1 69 LEU MD1 1 76 TYR QD . . 3.500 2.852 2.287 3.147 . 0 0 "[ . 1 . 2]" 1
1323 1 38 TRP HZ3 1 69 LEU MD1 . . 4.160 3.830 3.756 3.950 . 0 0 "[ . 1 . 2]" 1
1324 1 38 TRP HH2 1 69 LEU MD1 . . 3.230 1.914 1.830 2.027 . 0 0 "[ . 1 . 2]" 1
1325 1 69 LEU MD1 1 73 THR HB . . 4.170 3.730 3.596 3.843 . 0 0 "[ . 1 . 2]" 1
1326 1 69 LEU MD1 1 70 PRO HD3 . . 4.670 4.891 4.835 4.972 0.302 3 0 "[ . 1 . 2]" 1
1327 1 69 LEU MD1 1 76 TYR QE . . 4.530 4.502 4.032 4.789 0.259 3 0 "[ . 1 . 2]" 1
1328 1 38 TRP HZ2 1 69 LEU MD1 . . 3.430 2.152 1.889 2.273 . 0 0 "[ . 1 . 2]" 1
1329 1 69 LEU HA 1 69 LEU MD1 . . 4.200 3.992 3.962 4.024 . 0 0 "[ . 1 . 2]" 1
1330 1 69 LEU MD1 1 76 TYR HB2 . . 3.670 1.966 1.932 2.020 . 0 0 "[ . 1 . 2]" 1
1331 1 69 LEU MD1 1 76 TYR HB3 . . 3.500 2.977 2.760 3.251 . 0 0 "[ . 1 . 2]" 1
1332 1 69 LEU QB 1 69 LEU MD1 . . 3.110 2.070 2.023 2.105 . 0 0 "[ . 1 . 2]" 1
1333 1 51 TYR HH 1 74 LEU QD . . 3.460 2.727 2.474 2.830 . 0 0 "[ . 1 . 2]" 1
1334 1 80 GLY H 1 81 LEU HG . . 4.950 3.382 3.125 4.578 . 0 0 "[ . 1 . 2]" 1
1335 1 40 GLU H 1 74 LEU QD . . 3.540 3.200 3.128 3.266 . 0 0 "[ . 1 . 2]" 1
1336 1 38 TRP H 1 74 LEU QD . . 4.580 4.167 3.994 4.254 . 0 0 "[ . 1 . 2]" 1
1337 1 74 LEU H 1 74 LEU QD . . 3.970 3.336 3.291 3.407 . 0 0 "[ . 1 . 2]" 1
1338 1 51 TYR QE 1 74 LEU QD . . 3.480 1.977 1.943 2.072 . 0 0 "[ . 1 . 2]" 1
1339 1 38 TRP HD1 1 74 LEU QD . . 3.480 2.698 2.601 2.762 . 0 0 "[ . 1 . 2]" 1
1340 1 39 GLN HA 1 74 LEU QD . . 3.470 2.496 2.242 2.665 . 0 0 "[ . 1 . 2]" 1
1341 1 74 LEU HA 1 74 LEU QD . . 2.900 2.597 2.359 2.693 . 0 0 "[ . 1 . 2]" 1
1342 1 39 GLN HB3 1 74 LEU QD . . 4.530 4.361 4.207 4.451 . 0 0 "[ . 1 . 2]" 1
1343 1 40 GLU HB2 1 74 LEU QD . . 3.750 3.468 3.253 3.535 . 0 0 "[ . 1 . 2]" 1
1344 1 27 SER H 1 34 LEU QD . . 4.930 3.841 3.407 4.314 . 0 0 "[ . 1 . 2]" 1
1345 1 34 LEU QD 1 36 VAL H . . 4.490 3.670 3.482 3.835 . 0 0 "[ . 1 . 2]" 1
1346 1 34 LEU QD 1 78 VAL H . . 4.440 3.153 2.809 3.514 . 0 0 "[ . 1 . 2]" 1
1347 1 34 LEU QD 1 35 LYS HA . . 3.900 3.383 2.989 3.735 . 0 0 "[ . 1 . 2]" 1
1348 1 26 PHE HB3 1 34 LEU QD . . 4.390 2.882 2.471 3.108 . 0 0 "[ . 1 . 2]" 1
1349 1 34 LEU QD 1 36 VAL QG . . 2.920 1.911 1.795 2.359 . 0 0 "[ . 1 . 2]" 1
1350 1 68 TYR HA 1 69 LEU H . . 3.170 2.221 2.189 2.270 . 0 0 "[ . 1 . 2]" 1
1351 1 53 ILE H 1 68 TYR HA . . 4.350 3.673 3.395 3.936 . 0 0 "[ . 1 . 2]" 1
1352 1 68 TYR HA 1 68 TYR QD . . 3.990 2.416 2.084 2.734 . 0 0 "[ . 1 . 2]" 1
1353 1 68 TYR HA 1 69 LEU MD2 . . 4.540 4.355 4.248 4.682 0.142 3 0 "[ . 1 . 2]" 1
1354 1 66 THR MG 1 68 TYR HA . . 5.110 5.157 5.055 5.215 0.105 17 0 "[ . 1 . 2]" 1
1355 1 37 SER HA 1 38 TRP HE3 . . 4.110 3.203 2.998 3.653 . 0 0 "[ . 1 . 2]" 1
1356 1 36 VAL QG 1 37 SER HA . . 4.770 3.272 2.919 3.530 . 0 0 "[ . 1 . 2]" 1
1357 1 69 LEU MD1 1 76 TYR H . . 4.810 4.482 4.295 4.602 . 0 0 "[ . 1 . 2]" 1
1358 1 35 LYS QG 1 36 VAL H . . 4.180 2.609 2.086 2.851 . 0 0 "[ . 1 . 2]" 1
1359 1 35 LYS QG 1 77 ARG HA . . 4.560 2.741 1.976 3.734 . 0 0 "[ . 1 . 2]" 1
1360 1 51 TYR HA 1 93 ALA HA . . 3.480 2.251 2.017 2.409 . 0 0 "[ . 1 . 2]" 1
1361 1 51 TYR HA 1 94 MET HG2 . . 4.880 4.377 4.038 4.747 . 0 0 "[ . 1 . 2]" 1
1362 1 51 TYR HA 1 91 VAL MG1 . . 4.950 4.717 4.504 4.899 . 0 0 "[ . 1 . 2]" 1
1363 1 51 TYR HA 1 94 MET ME . . 5.500 3.918 2.830 4.875 . 0 0 "[ . 1 . 2]" 1
1364 1 107 ILE HA 1 108 SER HB3 . . 4.740 4.390 4.256 4.765 0.025 15 0 "[ . 1 . 2]" 1
1365 1 107 ILE HA 1 108 SER H . . 3.040 2.210 2.194 2.250 . 0 0 "[ . 1 . 2]" 1
1366 1 106 THR HA 1 107 ILE HA . . 4.650 4.376 4.350 4.404 . 0 0 "[ . 1 . 2]" 1
1367 1 107 ILE HA 1 107 ILE QG . . 3.570 2.879 2.215 2.971 . 0 0 "[ . 1 . 2]" 1
1368 1 57 GLU HA 1 88 THR H . . 4.330 3.492 3.197 3.729 . 0 0 "[ . 1 . 2]" 1
1369 1 57 GLU HA 1 58 TYR H . . 3.270 2.653 2.543 2.916 . 0 0 "[ . 1 . 2]" 1
1370 1 57 GLU HA 1 87 TYR QD . . 3.990 2.767 2.446 3.239 . 0 0 "[ . 1 . 2]" 1
1371 1 57 GLU HA 1 87 TYR HA . . 3.620 2.133 1.969 2.321 . 0 0 "[ . 1 . 2]" 1
1372 1 57 GLU HA 1 58 TYR HA . . 4.460 4.313 4.300 4.379 . 0 0 "[ . 1 . 2]" 1
1373 1 57 GLU HA 1 87 TYR HB3 . . 4.980 3.905 3.467 4.188 . 0 0 "[ . 1 . 2]" 1
1374 1 57 GLU HA 1 58 TYR HB3 . . 4.730 4.828 4.773 4.916 0.186 3 0 "[ . 1 . 2]" 1
1375 1 57 GLU HA 1 58 TYR HB2 . . 4.740 4.841 4.759 4.920 0.180 15 0 "[ . 1 . 2]" 1
1376 1 57 GLU HA 1 57 GLU QG . . 3.830 2.055 1.992 2.130 . 0 0 "[ . 1 . 2]" 1
1377 1 35 LYS QG 1 75 GLU HB2 . . 4.560 3.646 3.008 4.061 . 0 0 "[ . 1 . 2]" 1
1378 1 35 LYS HA 1 35 LYS QG . . 4.000 2.222 2.030 2.581 . 0 0 "[ . 1 . 2]" 1
1379 1 30 LEU H 1 30 LEU QD . . 4.110 2.608 2.178 3.471 . 0 0 "[ . 1 . 2]" 1
1380 1 30 LEU QD 1 33 SER H . . 4.280 3.566 3.452 3.707 . 0 0 "[ . 1 . 2]" 1
1381 1 30 LEU HA 1 30 LEU QD . . 2.850 2.175 2.036 2.516 . 0 0 "[ . 1 . 2]" 1
1382 1 29 ILE HA 1 30 LEU QD . . 4.400 3.081 2.686 3.992 . 0 0 "[ . 1 . 2]" 1
1383 1 30 LEU QD 1 33 SER QB . . 4.870 2.680 1.924 3.247 . 0 0 "[ . 1 . 2]" 1
1384 1 30 LEU HB2 1 30 LEU QD . . 3.110 2.188 2.149 2.221 . 0 0 "[ . 1 . 2]" 1
1385 1 84 LEU MD1 1 111 VAL HB . . 4.720 3.737 3.610 4.046 . 0 0 "[ . 1 . 2]" 1
1386 1 84 LEU MD1 1 112 PRO HD2 . . 3.470 3.509 3.463 3.542 0.072 6 0 "[ . 1 . 2]" 1
1387 1 30 LEU QD 1 34 LEU HB3 . . 4.900 4.304 3.985 4.813 . 0 0 "[ . 1 . 2]" 1
1388 1 37 SER H 1 38 TRP HE3 . . 5.110 3.497 3.113 3.800 . 0 0 "[ . 1 . 2]" 1
1389 1 36 VAL QG 1 38 TRP HE3 . . 3.040 2.008 1.919 2.187 . 0 0 "[ . 1 . 2]" 1
1390 1 84 LEU H 1 84 LEU MD1 . . 4.460 4.241 4.130 4.318 . 0 0 "[ . 1 . 2]" 1
1391 1 84 LEU MD1 1 111 VAL HA . . 3.950 3.952 3.814 4.008 0.058 10 0 "[ . 1 . 2]" 1
1392 1 33 SER HA 1 34 LEU HG . . 5.170 3.910 3.446 4.230 . 0 0 "[ . 1 . 2]" 1
1393 1 29 ILE HA 1 34 LEU HG . . 5.180 4.822 4.692 4.934 . 0 0 "[ . 1 . 2]" 1
1394 1 34 LEU HG 1 78 VAL QG . . 4.860 2.995 1.885 3.385 . 0 0 "[ . 1 . 2]" 1
1395 1 24 LEU QD 1 91 VAL H . . 4.190 2.684 2.474 2.817 . 0 0 "[ . 1 . 2]" 1
1396 1 24 LEU H 1 24 LEU QD . . 4.120 2.418 2.081 2.632 . 0 0 "[ . 1 . 2]" 1
1397 1 24 LEU QD 1 26 PHE QD . . 4.840 3.880 3.551 4.489 . 0 0 "[ . 1 . 2]" 1
1398 1 24 LEU QD 1 26 PHE QE . . 3.900 2.461 1.992 3.159 . 0 0 "[ . 1 . 2]" 1
1399 1 24 LEU QD 1 26 PHE HZ . . 3.620 2.421 2.055 3.120 . 0 0 "[ . 1 . 2]" 1
1400 1 24 LEU QD 1 38 TRP HE3 . . 3.950 2.983 2.521 3.222 . 0 0 "[ . 1 . 2]" 1
1401 1 24 LEU QD 1 104 ALA HA . . 4.050 3.576 3.228 3.733 . 0 0 "[ . 1 . 2]" 1
1402 1 24 LEU HA 1 24 LEU QD . . 3.380 2.200 1.994 2.738 . 0 0 "[ . 1 . 2]" 1
1403 1 24 LEU QD 1 38 TRP HB3 . . 3.870 2.300 2.101 2.482 . 0 0 "[ . 1 . 2]" 1
1404 1 24 LEU QD 1 36 VAL HB . . 4.890 4.474 3.144 4.823 . 0 0 "[ . 1 . 2]" 1
1405 1 24 LEU QD 1 89 ILE HB . . 4.200 2.361 2.184 2.615 . 0 0 "[ . 1 . 2]" 1
1406 1 24 LEU QD 1 36 VAL QG . . 2.910 2.190 2.076 2.351 . 0 0 "[ . 1 . 2]" 1
1407 1 24 LEU QD 1 90 GLU H . . 4.740 4.575 4.339 4.719 . 0 0 "[ . 1 . 2]" 1
1408 1 24 LEU QD 1 38 TRP HZ3 . . 5.030 4.174 3.671 4.437 . 0 0 "[ . 1 . 2]" 1
1409 1 24 LEU QD 1 38 TRP HB2 . . 4.090 3.040 2.633 3.306 . 0 0 "[ . 1 . 2]" 1
1410 1 53 ILE HG12 1 54 SER HA . . 5.060 3.579 3.433 3.812 . 0 0 "[ . 1 . 2]" 1
1411 1 54 SER HA 1 65 VAL QG . . 5.040 2.745 2.162 3.873 . 0 0 "[ . 1 . 2]" 1
1412 1 38 TRP HA 1 39 GLN H . . 3.370 2.695 2.489 2.828 . 0 0 "[ . 1 . 2]" 1
1413 1 38 TRP HA 1 38 TRP HE3 . . 4.660 4.168 4.090 4.261 . 0 0 "[ . 1 . 2]" 1
1414 1 37 SER QB 1 38 TRP HA . . 5.030 4.341 3.840 4.772 . 0 0 "[ . 1 . 2]" 1
1415 1 38 TRP HA 1 39 GLN HB2 . . 5.020 4.118 4.072 4.330 . 0 0 "[ . 1 . 2]" 1
1416 1 23 HIS HA 1 24 LEU H . . 3.200 2.208 2.186 2.309 . 0 0 "[ . 1 . 2]" 1
1417 1 22 GLY QA 1 23 HIS HA . . 4.790 3.967 3.922 4.094 . 0 0 "[ . 1 . 2]" 1
1418 1 97 LYS HG2 1 98 GLY H . . 5.110 4.078 2.012 4.845 . 0 0 "[ . 1 . 2]" 1
1419 1 54 SER HA 1 55 TRP HA . . 4.780 4.410 4.403 4.435 . 0 0 "[ . 1 . 2]" 1
1420 1 54 SER HA 1 67 HIS H . . 4.260 3.803 3.445 4.247 . 0 0 "[ . 1 . 2]" 1
1421 1 54 SER HA 1 55 TRP HE3 . . 4.370 4.251 3.870 4.479 0.109 3 0 "[ . 1 . 2]" 1
1422 1 54 SER HA 1 66 THR HA . . 3.590 3.507 3.126 3.662 0.072 7 0 "[ . 1 . 2]" 1
1423 1 33 SER HA 1 78 VAL H . . 5.160 4.620 4.096 4.895 . 0 0 "[ . 1 . 2]" 1
1424 1 33 SER HA 1 79 THR HA . . 3.740 2.395 2.168 2.592 . 0 0 "[ . 1 . 2]" 1
1425 1 33 SER HA 1 78 VAL HB . . 4.630 4.364 4.028 5.098 0.468 12 0 "[ . 1 . 2]" 1
1426 1 33 SER HA 1 81 LEU HG . . 4.380 3.611 2.940 3.909 . 0 0 "[ . 1 . 2]" 1
1427 1 33 SER HA 1 34 LEU QD . . 5.190 4.351 4.040 4.556 . 0 0 "[ . 1 . 2]" 1
1428 1 33 SER HA 1 78 VAL QG . . 4.760 3.669 2.320 4.172 . 0 0 "[ . 1 . 2]" 1
1429 1 25 SER H 1 38 TRP HA . . 4.530 3.885 3.696 4.058 . 0 0 "[ . 1 . 2]" 1
1430 1 38 TRP HA 1 38 TRP HD1 . . 4.810 4.468 4.406 4.517 . 0 0 "[ . 1 . 2]" 1
1431 1 21 VAL MG2 1 38 TRP HA . . 4.300 4.330 4.043 4.392 0.092 20 0 "[ . 1 . 2]" 1
1432 1 97 LYS HA 1 97 LYS HG2 . . 3.840 3.509 2.174 4.172 0.332 7 0 "[ . 1 . 2]" 1
1433 1 17 VAL MG1 1 97 LYS HG2 . . 4.530 3.009 2.013 4.647 0.117 15 0 "[ . 1 . 2]" 1
1434 1 97 LYS H 1 97 LYS HG3 . . 4.070 3.396 3.088 4.095 0.025 5 0 "[ . 1 . 2]" 1
1435 1 16 ASP HB3 1 97 LYS HG3 . . 5.150 3.356 2.203 4.199 . 0 0 "[ . 1 . 2]" 1
1436 1 15 GLU HA 1 16 ASP H . . 3.070 2.323 2.216 2.480 . 0 0 "[ . 1 . 2]" 1
1437 1 15 GLU HA 1 17 VAL H . . 4.670 4.431 3.733 4.726 0.056 7 0 "[ . 1 . 2]" 1
1438 1 15 GLU HA 1 16 ASP HB2 . . 4.530 4.337 4.087 4.613 0.083 17 0 "[ . 1 . 2]" 1
1439 1 15 GLU HA 1 16 ASP HB3 . . 4.860 4.899 4.820 4.986 0.126 15 0 "[ . 1 . 2]" 1
1440 1 15 GLU HA 1 15 GLU HG3 . . 3.380 2.780 2.141 3.408 0.028 6 0 "[ . 1 . 2]" 1
1441 1 15 GLU HA 1 17 VAL MG2 . . 5.090 4.138 3.679 4.424 . 0 0 "[ . 1 . 2]" 1
1442 1 101 GLN HA 1 102 VAL H . . 2.830 2.620 2.421 2.948 0.118 20 0 "[ . 1 . 2]" 1
1443 1 101 GLN HA 1 102 VAL HB . . 3.880 3.931 3.843 4.050 0.170 14 0 "[ . 1 . 2]" 1
1444 1 27 SER QB 1 28 GLU HA . . 4.410 4.168 4.029 4.324 . 0 0 "[ . 1 . 2]" 1
1445 1 28 GLU HA 1 28 GLU QG . . 3.500 2.430 2.200 2.806 . 0 0 "[ . 1 . 2]" 1
1446 1 28 GLU HA 1 30 LEU QD . . 4.600 3.703 3.376 4.350 . 0 0 "[ . 1 . 2]" 1
1447 1 14 HIS HA 1 15 GLU H . . 3.320 2.352 2.186 2.670 . 0 0 "[ . 1 . 2]" 1
1448 1 14 HIS HA 1 14 HIS HD2 . . 4.900 3.408 2.010 4.874 . 0 0 "[ . 1 . 2]" 1
1449 1 14 HIS HA 1 15 GLU HB2 . . 4.660 4.337 3.883 4.696 0.036 19 0 "[ . 1 . 2]" 1
1450 1 31 ASP HA 1 109 SER HG . . 5.140 3.865 3.644 4.082 . 0 0 "[ . 1 . 2]" 1
1451 1 31 ASP HA 1 109 SER QB . . 3.500 2.487 2.028 2.929 . 0 0 "[ . 1 . 2]" 1
1452 1 31 ASP HA 1 110 GLY HA3 . . 4.470 4.336 3.979 4.561 0.091 6 0 "[ . 1 . 2]" 1
1453 1 24 LEU QD 1 104 ALA H . . 4.600 4.384 4.245 4.483 . 0 0 "[ . 1 . 2]" 1
1454 1 24 LEU QD 1 39 GLN H . . 4.920 4.501 4.268 4.739 . 0 0 "[ . 1 . 2]" 1
1455 1 24 LEU QD 1 90 GLU HA . . 4.370 3.572 3.302 3.754 . 0 0 "[ . 1 . 2]" 1
1456 1 24 LEU QD 1 38 TRP HA . . 4.250 3.726 3.565 3.958 . 0 0 "[ . 1 . 2]" 1
1457 1 24 LEU QD 1 91 VAL MG1 . . 3.840 2.791 2.451 3.036 . 0 0 "[ . 1 . 2]" 1
1458 1 55 TRP HA 1 90 GLU H . . 4.320 3.154 3.030 3.518 . 0 0 "[ . 1 . 2]" 1
1459 1 55 TRP HA 1 56 GLU H . . 3.310 2.268 2.205 2.364 . 0 0 "[ . 1 . 2]" 1
1460 1 55 TRP HA 1 55 TRP HE3 . . 5.140 4.455 4.305 4.529 . 0 0 "[ . 1 . 2]" 1
1461 1 55 TRP HA 1 89 ILE HA . . 3.710 2.050 1.944 2.441 . 0 0 "[ . 1 . 2]" 1
1462 1 55 TRP HA 1 88 THR H . . 5.000 4.539 4.197 4.899 . 0 0 "[ . 1 . 2]" 1
1463 1 87 TYR H 1 108 SER HA . . 3.810 2.813 2.393 3.151 . 0 0 "[ . 1 . 2]" 1
1464 1 85 THR H 1 108 SER HA . . 4.850 4.034 3.686 4.238 . 0 0 "[ . 1 . 2]" 1
1465 1 87 TYR QD 1 108 SER HA . . 4.610 3.731 3.275 4.172 . 0 0 "[ . 1 . 2]" 1
1466 1 86 THR HA 1 108 SER HA . . 3.330 1.983 1.937 2.104 . 0 0 "[ . 1 . 2]" 1
1467 1 108 SER HA 1 109 SER H . . 3.280 2.226 2.215 2.296 . 0 0 "[ . 1 . 2]" 1
1468 1 107 ILE HA 1 108 SER HA . . 4.600 4.316 4.312 4.326 . 0 0 "[ . 1 . 2]" 1
1469 1 108 SER HA 1 109 SER QB . . 4.910 4.484 4.312 4.579 . 0 0 "[ . 1 . 2]" 1
1470 1 26 PHE HA 1 27 SER H . . 3.080 2.252 2.199 2.421 . 0 0 "[ . 1 . 2]" 1
1471 1 26 PHE HA 1 37 SER H . . 4.280 3.692 3.282 3.985 . 0 0 "[ . 1 . 2]" 1
1472 1 26 PHE HA 1 26 PHE QD . . 3.620 2.247 1.974 3.048 . 0 0 "[ . 1 . 2]" 1
1473 1 26 PHE HA 1 26 PHE QE . . 4.870 4.495 4.373 4.849 . 0 0 "[ . 1 . 2]" 1
1474 1 26 PHE HA 1 36 VAL HA . . 3.690 2.744 1.979 2.936 . 0 0 "[ . 1 . 2]" 1
1475 1 26 PHE HA 1 36 VAL QG . . 4.600 3.698 3.476 3.956 . 0 0 "[ . 1 . 2]" 1
1476 1 26 PHE HA 1 34 LEU QD . . 4.670 3.580 3.360 3.995 . 0 0 "[ . 1 . 2]" 1
1477 1 97 LYS HA 1 97 LYS QD . . 3.170 2.893 2.049 3.449 0.279 16 0 "[ . 1 . 2]" 1
1478 1 97 LYS HA 1 97 LYS HG3 . . 3.620 3.606 3.484 4.217 0.597 18 1 "[ . 1 . + 2]" 1
1479 1 17 VAL MG1 1 97 LYS HA . . 4.900 4.664 4.115 4.960 0.060 2 0 "[ . 1 . 2]" 1
1480 1 34 LEU H 1 81 LEU MD1 . . 3.580 2.891 2.585 3.190 . 0 0 "[ . 1 . 2]" 1
1481 1 33 SER H 1 81 LEU MD1 . . 4.180 3.323 2.980 3.682 . 0 0 "[ . 1 . 2]" 1
1482 1 81 LEU MD1 1 87 TYR QE . . 4.600 4.287 4.126 4.415 . 0 0 "[ . 1 . 2]" 1
1483 1 55 TRP HD1 1 81 LEU MD1 . . 5.140 4.870 4.056 5.181 0.041 19 0 "[ . 1 . 2]" 1
1484 1 33 SER HA 1 81 LEU MD1 . . 3.680 2.464 1.973 2.974 . 0 0 "[ . 1 . 2]" 1
1485 1 79 THR HA 1 81 LEU MD1 . . 4.640 3.425 3.019 4.192 . 0 0 "[ . 1 . 2]" 1
1486 1 32 THR HB 1 81 LEU MD1 . . 4.750 4.523 3.938 4.923 0.173 10 0 "[ . 1 . 2]" 1
1487 1 32 THR HA 1 81 LEU MD1 . . 3.540 2.991 2.468 3.504 . 0 0 "[ . 1 . 2]" 1
1488 1 81 LEU HA 1 81 LEU MD1 . . 4.040 3.994 3.850 4.026 . 0 0 "[ . 1 . 2]" 1
1489 1 81 LEU MD1 1 109 SER HA . . 4.290 4.036 3.211 4.259 . 0 0 "[ . 1 . 2]" 1
1490 1 34 LEU HB3 1 81 LEU MD1 . . 4.900 3.490 3.196 3.839 . 0 0 "[ . 1 . 2]" 1
1491 1 81 LEU HB2 1 81 LEU MD1 . . 3.280 2.089 1.994 2.335 . 0 0 "[ . 1 . 2]" 1
1492 1 34 LEU HG 1 81 LEU MD1 . . 3.180 2.239 2.021 2.597 . 0 0 "[ . 1 . 2]" 1
1493 1 81 LEU HB3 1 81 LEU MD1 . . 3.320 2.582 2.406 2.688 . 0 0 "[ . 1 . 2]" 1
1494 1 34 LEU QD 1 81 LEU MD1 . . 3.020 2.099 1.887 2.655 . 0 0 "[ . 1 . 2]" 1
1495 1 78 VAL QG 1 81 LEU MD1 . . 3.110 2.207 1.642 2.582 . 0 0 "[ . 1 . 2]" 1
1496 1 12 ARG HA 1 12 ARG QD . . 4.140 3.796 2.655 4.164 0.024 19 0 "[ . 1 . 2]" 1
1497 1 12 ARG HA 1 12 ARG HG3 . . 3.510 2.595 2.096 3.582 0.072 15 0 "[ . 1 . 2]" 1
1498 1 11 VAL MG1 1 12 ARG HA . . 4.730 3.960 3.164 4.824 0.094 14 0 "[ . 1 . 2]" 1
1499 1 97 LYS HA 1 98 GLY HA3 . . 5.110 4.734 4.713 4.761 . 0 0 "[ . 1 . 2]" 1
1500 1 73 THR MG 1 76 TYR QD . . 4.040 3.919 3.627 4.128 0.088 14 0 "[ . 1 . 2]" 1
1501 1 73 THR MG 1 75 GLU H . . 3.000 1.971 1.910 2.190 . 0 0 "[ . 1 . 2]" 1
1502 1 73 THR MG 1 76 TYR HA . . 4.460 4.005 3.776 4.063 . 0 0 "[ . 1 . 2]" 1
1503 1 70 PRO HD3 1 73 THR MG . . 4.320 4.438 4.398 4.495 0.175 1 0 "[ . 1 . 2]" 1
1504 1 73 THR MG 1 74 LEU HA . . 4.030 3.490 3.386 3.692 . 0 0 "[ . 1 . 2]" 1
1505 1 73 THR MG 1 76 TYR HB3 . . 4.760 4.850 4.603 5.019 0.259 17 0 "[ . 1 . 2]" 1
1506 1 51 TYR HB2 1 73 THR MG . . 4.990 4.816 4.638 5.032 0.042 3 0 "[ . 1 . 2]" 1
1507 1 73 THR MG 1 74 LEU QD . . 5.010 4.361 4.319 4.448 . 0 0 "[ . 1 . 2]" 1
1508 1 73 THR MG 1 74 LEU H . . 3.240 2.464 2.358 2.693 . 0 0 "[ . 1 . 2]" 1
1509 1 38 TRP HH2 1 73 THR MG . . 4.110 3.968 3.798 4.157 0.047 19 0 "[ . 1 . 2]" 1
1510 1 69 LEU HA 1 73 THR MG . . 4.860 4.736 4.654 4.778 . 0 0 "[ . 1 . 2]" 1
1511 1 73 THR MG 1 75 GLU HA . . 4.780 4.076 4.044 4.122 . 0 0 "[ . 1 . 2]" 1
1512 1 73 THR HA 1 73 THR MG . . 3.130 2.513 2.463 2.567 . 0 0 "[ . 1 . 2]" 1
1513 1 70 PRO QG 1 73 THR MG . . 4.160 4.131 4.069 4.209 0.049 1 0 "[ . 1 . 2]" 1
1514 1 69 LEU QB 1 73 THR MG . . 3.440 2.782 2.695 2.866 . 0 0 "[ . 1 . 2]" 1
1515 1 69 LEU MD1 1 73 THR MG . . 2.960 2.481 2.235 2.626 . 0 0 "[ . 1 . 2]" 1
1516 1 55 TRP HZ2 1 76 TYR QE . . 4.820 4.547 4.307 4.796 . 0 0 "[ . 1 . 2]" 1
1517 1 55 TRP HH2 1 76 TYR QE . . 3.670 2.498 1.983 2.788 . 0 0 "[ . 1 . 2]" 1
1518 1 53 ILE MD 1 76 TYR QE . . 4.540 4.139 3.496 4.459 . 0 0 "[ . 1 . 2]" 1
1519 1 53 ILE MG 1 76 TYR QE . . 4.360 4.090 3.548 4.288 . 0 0 "[ . 1 . 2]" 1
1520 1 35 LYS HA 1 76 TYR H . . 4.970 4.477 4.270 4.638 . 0 0 "[ . 1 . 2]" 1
1521 1 35 LYS HA 1 36 VAL H . . 3.250 2.227 2.180 2.262 . 0 0 "[ . 1 . 2]" 1
1522 1 35 LYS HA 1 36 VAL HB . . 5.050 4.485 4.352 5.077 0.027 15 0 "[ . 1 . 2]" 1
1523 1 48 LEU QD 1 49 THR H . . 3.940 3.717 3.513 3.849 . 0 0 "[ . 1 . 2]" 1
1524 1 48 LEU QD 1 94 MET HA . . 4.930 4.651 4.238 4.923 . 0 0 "[ . 1 . 2]" 1
1525 1 48 LEU QD 1 95 THR HA . . 4.490 3.607 3.393 3.968 . 0 0 "[ . 1 . 2]" 1
1526 1 48 LEU HA 1 48 LEU QD . . 3.070 2.138 1.936 2.265 . 0 0 "[ . 1 . 2]" 1
1527 1 18 PRO HA 1 48 LEU QD . . 4.380 4.371 4.290 4.580 0.200 13 0 "[ . 1 . 2]" 1
1528 1 47 ILE HA 1 48 LEU QD . . 4.470 3.425 2.504 4.233 . 0 0 "[ . 1 . 2]" 1
1529 1 18 PRO HD3 1 48 LEU QD . . 4.920 3.844 3.636 4.183 . 0 0 "[ . 1 . 2]" 1
1530 1 18 PRO HB3 1 48 LEU QD . . 3.640 2.505 2.392 2.786 . 0 0 "[ . 1 . 2]" 1
1531 1 18 PRO HG3 1 48 LEU QD . . 3.190 2.167 1.913 2.540 . 0 0 "[ . 1 . 2]" 1
1532 1 18 PRO HG2 1 48 LEU QD . . 3.500 3.147 2.918 3.496 . 0 0 "[ . 1 . 2]" 1
1533 1 48 LEU QD 1 93 ALA MB . . 2.870 2.395 1.907 2.806 . 0 0 "[ . 1 . 2]" 1
1534 1 48 LEU QD 1 95 THR MG . . 2.950 1.792 1.675 1.977 . 0 0 "[ . 1 . 2]" 1
1535 1 76 TYR QE 1 79 THR H . . 4.110 4.047 3.811 4.163 0.053 13 0 "[ . 1 . 2]" 1
1536 1 67 HIS HD2 1 76 TYR QE . . 4.440 2.943 2.544 3.396 . 0 0 "[ . 1 . 2]" 1
1537 1 24 LEU HA 1 38 TRP HA . . 3.960 3.147 2.362 3.503 . 0 0 "[ . 1 . 2]" 1
1538 1 104 ALA MB 1 105 SER H . . 3.140 3.352 3.262 3.381 0.241 12 0 "[ . 1 . 2]" 1
1539 1 104 ALA H 1 104 ALA MB . . 3.130 2.241 2.075 2.348 . 0 0 "[ . 1 . 2]" 1
1540 1 103 SER H 1 104 ALA MB . . 5.010 4.832 4.725 4.953 . 0 0 "[ . 1 . 2]" 1
1541 1 90 GLU HA 1 104 ALA MB . . 3.620 2.932 2.828 3.050 . 0 0 "[ . 1 . 2]" 1
1542 1 103 SER HA 1 104 ALA MB . . 3.720 4.007 3.972 4.028 0.308 15 0 "[ . 1 . 2]" 1
1543 1 90 GLU HG3 1 104 ALA MB . . 3.240 1.968 1.934 2.175 . 0 0 "[ . 1 . 2]" 1
1544 1 91 VAL H 1 104 ALA MB . . 4.480 4.420 4.297 4.525 0.045 6 0 "[ . 1 . 2]" 1
1545 1 90 GLU HG2 1 104 ALA MB . . 3.600 1.862 1.758 2.012 . 0 0 "[ . 1 . 2]" 1
1546 1 90 GLU HB2 1 104 ALA MB . . 3.980 4.006 3.883 4.106 0.126 18 0 "[ . 1 . 2]" 1
1547 1 90 GLU HB3 1 104 ALA MB . . 3.950 3.157 2.903 3.740 . 0 0 "[ . 1 . 2]" 1
1548 1 88 THR MG 1 104 ALA MB . . 3.050 2.032 1.802 2.200 . 0 0 "[ . 1 . 2]" 1
1549 1 55 TRP HZ2 1 67 HIS HD2 . . 4.970 4.168 4.058 4.378 . 0 0 "[ . 1 . 2]" 1
1550 1 55 TRP HH2 1 67 HIS HD2 . . 3.900 2.026 1.959 2.665 . 0 0 "[ . 1 . 2]" 1
1551 1 67 HIS HD2 1 76 TYR QD . . 4.720 4.432 3.916 4.814 0.094 3 0 "[ . 1 . 2]" 1
1552 1 24 LEU HA 1 25 SER H . . 3.190 2.269 2.216 2.362 . 0 0 "[ . 1 . 2]" 1
1553 1 24 LEU HA 1 39 GLN H . . 5.230 5.079 4.422 5.332 0.102 17 0 "[ . 1 . 2]" 1
1554 1 24 LEU HA 1 25 SER HB3 . . 4.780 5.085 4.581 5.631 0.851 11 8 "[** - ** 1+ * . * 2]" 1
1555 1 24 LEU HA 1 38 TRP HB3 . . 4.530 2.904 2.417 3.181 . 0 0 "[ . 1 . 2]" 1
1556 1 24 LEU HA 1 38 TRP HB2 . . 4.780 3.896 3.419 4.170 . 0 0 "[ . 1 . 2]" 1
1557 1 24 LEU HA 1 36 VAL QG . . 4.690 4.090 3.757 4.334 . 0 0 "[ . 1 . 2]" 1
1558 1 58 TYR QE 1 59 ASN HB3 . . 4.480 3.892 3.190 4.825 0.345 19 0 "[ . 1 . 2]" 1
1559 1 58 TYR QE 1 86 THR MG . . 4.530 4.175 3.849 4.398 . 0 0 "[ . 1 . 2]" 1
1560 1 67 HIS H 1 67 HIS HD2 . . 4.990 4.847 4.612 5.033 0.043 10 0 "[ . 1 . 2]" 1
1561 1 55 TRP HZ3 1 67 HIS HD2 . . 3.630 2.115 1.968 3.395 . 0 0 "[ . 1 . 2]" 1
1562 1 41 PRO HD3 1 74 LEU QD . . 4.160 4.123 3.957 4.233 0.073 2 0 "[ . 1 . 2]" 1
1563 1 41 PRO HD2 1 74 LEU QD . . 4.800 4.672 4.552 4.752 . 0 0 "[ . 1 . 2]" 1
1564 1 39 GLN HB2 1 74 LEU QD . . 4.710 4.749 4.603 4.875 0.165 2 0 "[ . 1 . 2]" 1
1565 1 74 LEU HB3 1 74 LEU QD . . 3.090 2.024 1.989 2.097 . 0 0 "[ . 1 . 2]" 1
1566 1 38 TRP HA 1 74 LEU QD . . 5.080 5.214 4.990 5.321 0.241 13 0 "[ . 1 . 2]" 1
1567 1 58 TYR HA 1 58 TYR QE . . 4.730 4.781 4.702 4.833 0.103 15 0 "[ . 1 . 2]" 1
1568 1 58 TYR QE 1 59 ASN HD21 . . 4.600 3.390 2.803 4.208 . 0 0 "[ . 1 . 2]" 1
1569 1 10 LEU HA 1 11 VAL H . . 3.110 2.382 2.176 2.719 . 0 0 "[ . 1 . 2]" 1
1570 1 10 LEU HA 1 11 VAL HB . . 5.190 4.423 4.160 4.759 . 0 0 "[ . 1 . 2]" 1
1571 1 84 LEU HA 1 85 THR H . . 3.530 2.598 2.559 2.662 . 0 0 "[ . 1 . 2]" 1
1572 1 84 LEU HA 1 109 SER HG . . 4.900 3.306 2.865 3.558 . 0 0 "[ . 1 . 2]" 1
1573 1 83 ALA HA 1 84 LEU HA . . 4.230 4.347 4.335 4.356 0.126 1 0 "[ . 1 . 2]" 1
1574 1 84 LEU HA 1 84 LEU MD1 . . 4.080 3.751 3.678 3.878 . 0 0 "[ . 1 . 2]" 1
1575 1 84 LEU HA 1 109 SER H . . 5.040 4.482 4.279 5.136 0.096 2 0 "[ . 1 . 2]" 1
1576 1 92 ALA MB 1 93 ALA H . . 3.550 2.662 2.522 2.808 . 0 0 "[ . 1 . 2]" 1
1577 1 92 ALA H 1 92 ALA MB . . 3.350 2.313 2.235 2.474 . 0 0 "[ . 1 . 2]" 1
1578 1 92 ALA MB 1 100 GLY H . . 3.630 3.611 3.099 3.719 0.089 1 0 "[ . 1 . 2]" 1
1579 1 92 ALA MB 1 103 SER H . . 4.250 4.043 3.862 4.265 0.015 2 0 "[ . 1 . 2]" 1
1580 1 92 ALA MB 1 99 GLN HE21 . . 4.970 2.473 1.795 3.162 . 0 0 "[ . 1 . 2]" 1
1581 1 52 ARG HE 1 92 ALA MB . . 5.160 4.336 3.359 5.205 0.045 18 0 "[ . 1 . 2]" 1
1582 1 51 TYR HA 1 92 ALA MB . . 4.570 4.568 4.400 4.687 0.117 16 0 "[ . 1 . 2]" 1
1583 1 91 VAL HA 1 92 ALA MB . . 4.030 3.888 3.852 3.918 . 0 0 "[ . 1 . 2]" 1
1584 1 92 ALA MB 1 102 VAL HA . . 3.400 2.505 2.103 2.867 . 0 0 "[ . 1 . 2]" 1
1585 1 52 ARG HD3 1 92 ALA MB . . 5.190 4.836 3.639 5.265 0.075 6 0 "[ . 1 . 2]" 1
1586 1 92 ALA MB 1 99 GLN HG3 . . 3.900 2.093 1.965 2.241 . 0 0 "[ . 1 . 2]" 1
1587 1 92 ALA MB 1 99 GLN HG2 . . 3.870 2.373 2.034 2.699 . 0 0 "[ . 1 . 2]" 1
1588 1 52 ARG HB3 1 92 ALA MB . . 3.600 2.471 2.255 2.759 . 0 0 "[ . 1 . 2]" 1
1589 1 91 VAL MG1 1 92 ALA MB . . 4.380 4.197 4.084 4.270 . 0 0 "[ . 1 . 2]" 1
1590 1 10 LEU HA 1 10 LEU MD2 . . 3.520 3.345 2.386 4.093 0.573 20 1 "[ . 1 . +]" 1
1591 1 38 TRP HB2 1 74 LEU QD . . 4.940 4.752 4.611 4.809 . 0 0 "[ . 1 . 2]" 1
1592 1 51 TYR HH 1 71 ASN HA . . 5.260 4.703 4.098 5.313 0.053 5 0 "[ . 1 . 2]" 1
1593 1 51 TYR QE 1 71 ASN HA . . 3.510 2.450 2.161 2.618 . 0 0 "[ . 1 . 2]" 1
1594 1 71 ASN HA 1 72 VAL HA . . 4.740 4.533 4.484 4.554 . 0 0 "[ . 1 . 2]" 1
1595 1 50 GLY HA2 1 71 ASN HA . . 3.800 2.681 2.587 2.784 . 0 0 "[ . 1 . 2]" 1
1596 1 71 ASN HA 1 73 THR H . . 4.480 3.935 3.817 4.204 . 0 0 "[ . 1 . 2]" 1
1597 1 51 TYR QD 1 71 ASN HA . . 4.610 2.912 2.538 3.311 . 0 0 "[ . 1 . 2]" 1
1598 1 48 LEU HB3 1 71 ASN HA . . 5.220 4.166 3.682 4.446 . 0 0 "[ . 1 . 2]" 1
1599 1 71 ASN HA 1 72 VAL MG1 . . 4.850 4.363 4.289 4.449 . 0 0 "[ . 1 . 2]" 1
1600 1 69 LEU H 1 69 LEU MD2 . . 3.910 3.768 3.582 3.848 . 0 0 "[ . 1 . 2]" 1
1601 1 68 TYR H 1 69 LEU MD2 . . 5.020 3.722 3.577 4.147 . 0 0 "[ . 1 . 2]" 1
1602 1 69 LEU MD2 1 76 TYR QD . . 3.270 1.980 1.762 2.208 . 0 0 "[ . 1 . 2]" 1
1603 1 69 LEU MD2 1 76 TYR QE . . 3.260 2.971 2.320 3.274 0.014 14 0 "[ . 1 . 2]" 1
1604 1 38 TRP HH2 1 69 LEU MD2 . . 4.570 4.091 3.870 4.263 . 0 0 "[ . 1 . 2]" 1
1605 1 69 LEU HA 1 69 LEU MD2 . . 2.850 2.456 2.313 2.607 . 0 0 "[ . 1 . 2]" 1
1606 1 69 LEU MD2 1 70 PRO HD2 . . 3.570 3.385 3.280 3.582 0.012 17 0 "[ . 1 . 2]" 1
1607 1 69 LEU MD2 1 70 PRO HD3 . . 3.580 3.401 3.273 3.548 . 0 0 "[ . 1 . 2]" 1
1608 1 69 LEU MD2 1 76 TYR HB2 . . 4.520 2.964 2.635 3.256 . 0 0 "[ . 1 . 2]" 1
1609 1 67 HIS HB3 1 69 LEU MD2 . . 3.880 3.284 2.969 3.500 . 0 0 "[ . 1 . 2]" 1
1610 1 69 LEU MD2 1 70 PRO QG . . 4.260 4.621 4.507 4.789 0.529 17 2 "[ - . 1 . + 2]" 1
1611 1 69 LEU QB 1 69 LEU MD2 . . 3.090 2.186 2.101 2.249 . 0 0 "[ . 1 . 2]" 1
1612 1 53 ILE MG 1 69 LEU MD2 . . 3.290 3.091 2.651 3.304 0.014 7 0 "[ . 1 . 2]" 1
1613 1 51 TYR QE 1 73 THR H . . 4.920 4.111 3.389 4.628 . 0 0 "[ . 1 . 2]" 1
1614 1 51 TYR QE 1 74 LEU HG . . 5.200 3.876 3.615 4.032 . 0 0 "[ . 1 . 2]" 1
1615 1 62 ASN HA 1 64 ARG H . . 4.650 3.685 3.503 3.932 . 0 0 "[ . 1 . 2]" 1
1616 1 51 TYR QE 1 71 ASN HB2 . . 4.980 3.833 3.620 4.118 . 0 0 "[ . 1 . 2]" 1
1617 1 68 TYR HA 1 68 TYR QE . . 4.810 4.531 4.422 4.726 . 0 0 "[ . 1 . 2]" 1
1618 1 52 ARG HD2 1 68 TYR QE . . 4.730 3.394 2.007 4.656 . 0 0 "[ . 1 . 2]" 1
1619 1 68 TYR QE 1 94 MET ME . . 3.940 3.090 2.076 3.976 0.036 19 0 "[ . 1 . 2]" 1
1620 1 52 ARG HB2 1 68 TYR QE . . 4.160 3.387 2.566 4.002 . 0 0 "[ . 1 . 2]" 1
1621 1 52 ARG HG2 1 68 TYR QE . . 4.360 4.268 3.314 4.811 0.451 13 0 "[ . 1 . 2]" 1
1622 1 34 LEU HA 1 34 LEU HG . . 4.200 3.712 3.615 3.777 . 0 0 "[ . 1 . 2]" 1
1623 1 29 ILE MG 1 34 LEU HA . . 4.440 3.599 3.381 3.721 . 0 0 "[ . 1 . 2]" 1
1624 1 43 GLU HA 1 44 LYS HA . . 4.770 4.801 4.556 5.329 0.559 6 1 "[ .+ 1 . 2]" 1
1625 1 43 GLU HA 1 44 LYS HB2 . . 4.760 4.747 4.564 4.839 0.079 17 0 "[ . 1 . 2]" 1
1626 1 36 VAL QG 1 76 TYR H . . 4.220 3.378 2.260 3.657 . 0 0 "[ . 1 . 2]" 1
1627 1 26 PHE QD 1 36 VAL QG . . 3.280 2.337 1.940 2.846 . 0 0 "[ . 1 . 2]" 1
1628 1 26 PHE QE 1 36 VAL QG . . 3.290 1.854 1.710 2.544 . 0 0 "[ . 1 . 2]" 1
1629 1 26 PHE HZ 1 36 VAL QG . . 4.130 3.519 3.268 3.881 . 0 0 "[ . 1 . 2]" 1
1630 1 36 VAL QG 1 38 TRP HZ3 . . 3.280 1.943 1.707 2.161 . 0 0 "[ . 1 . 2]" 1
1631 1 36 VAL HA 1 36 VAL QG . . 3.090 2.186 2.059 2.610 . 0 0 "[ . 1 . 2]" 1
1632 1 36 VAL QG 1 77 ARG HA . . 4.440 4.124 3.585 4.365 . 0 0 "[ . 1 . 2]" 1
1633 1 26 PHE HB3 1 36 VAL QG . . 4.840 4.297 3.895 4.671 . 0 0 "[ . 1 . 2]" 1
1634 1 36 VAL QG 1 76 TYR HB3 . . 4.320 3.549 2.176 3.774 . 0 0 "[ . 1 . 2]" 1
1635 1 36 VAL QG 1 78 VAL HB . . 3.580 3.387 3.103 3.706 0.126 15 0 "[ . 1 . 2]" 1
1636 1 36 VAL QG 1 78 VAL QG . . 3.100 1.886 1.677 2.160 . 0 0 "[ . 1 . 2]" 1
1637 1 84 LEU H 1 84 LEU MD2 . . 3.640 2.146 1.951 2.563 . 0 0 "[ . 1 . 2]" 1
1638 1 84 LEU MD2 1 111 VAL H . . 4.450 3.867 3.779 4.184 . 0 0 "[ . 1 . 2]" 1
1639 1 83 ALA HA 1 84 LEU MD2 . . 4.420 4.033 3.823 4.472 0.052 2 0 "[ . 1 . 2]" 1
1640 1 84 LEU MD2 1 111 VAL HA . . 3.670 2.116 1.959 2.730 . 0 0 "[ . 1 . 2]" 1
1641 1 84 LEU MD2 1 110 GLY HA2 . . 4.070 3.988 3.733 4.082 0.012 13 0 "[ . 1 . 2]" 1
1642 1 84 LEU HA 1 84 LEU MD2 . . 2.890 2.032 1.958 2.103 . 0 0 "[ . 1 . 2]" 1
1643 1 84 LEU MD2 1 111 VAL HB . . 4.230 2.018 1.934 2.314 . 0 0 "[ . 1 . 2]" 1
1644 1 84 LEU HB2 1 84 LEU MD2 . . 3.210 3.203 3.187 3.222 0.012 2 0 "[ . 1 . 2]" 1
1645 1 84 LEU MD2 1 111 VAL MG2 . . 3.130 2.339 2.114 2.756 . 0 0 "[ . 1 . 2]" 1
1646 1 52 ARG HG3 1 68 TYR QE . . 4.720 3.175 2.001 4.405 . 0 0 "[ . 1 . 2]" 1
1647 1 36 VAL H 1 77 ARG HA . . 4.160 3.023 2.791 3.376 . 0 0 "[ . 1 . 2]" 1
1648 1 77 ARG HA 1 78 VAL H . . 3.300 2.244 2.230 2.272 . 0 0 "[ . 1 . 2]" 1
1649 1 34 LEU H 1 77 ARG HA . . 4.800 4.594 4.230 4.780 . 0 0 "[ . 1 . 2]" 1
1650 1 35 LYS HA 1 77 ARG HA . . 3.480 1.912 1.769 1.981 . 0 0 "[ . 1 . 2]" 1
1651 1 43 GLU HA 1 44 LYS H . . 3.240 2.842 2.427 3.593 0.353 6 0 "[ . 1 . 2]" 1
1652 1 43 GLU HA 1 43 GLU QG . . 3.480 2.758 2.352 3.468 . 0 0 "[ . 1 . 2]" 1
1653 1 43 GLU HA 1 44 LYS HG3 . . 4.820 4.874 4.539 5.021 0.201 13 0 "[ . 1 . 2]" 1
1654 1 18 PRO HD2 1 94 MET HA . . 5.080 4.158 3.846 4.391 . 0 0 "[ . 1 . 2]" 1
1655 1 18 PRO HD3 1 94 MET HA . . 5.040 4.500 4.117 4.844 . 0 0 "[ . 1 . 2]" 1
1656 1 77 ARG HA 1 77 ARG HG2 . . 4.120 3.144 2.224 3.792 . 0 0 "[ . 1 . 2]" 1
1657 1 94 MET HA 1 100 GLY H . . 4.180 3.574 3.330 3.803 . 0 0 "[ . 1 . 2]" 1
1658 1 94 MET HA 1 95 THR H . . 3.180 2.243 2.214 2.277 . 0 0 "[ . 1 . 2]" 1
1659 1 88 THR H 1 88 THR MG . . 3.930 3.546 3.416 3.655 . 0 0 "[ . 1 . 2]" 1
1660 1 88 THR MG 1 89 ILE H . . 3.320 3.214 2.883 3.371 0.051 10 0 "[ . 1 . 2]" 1
1661 1 88 THR MG 1 105 SER H . . 3.950 3.265 3.030 3.599 . 0 0 "[ . 1 . 2]" 1
1662 1 56 GLU H 1 88 THR MG . . 4.590 3.923 3.423 4.380 . 0 0 "[ . 1 . 2]" 1
1663 1 88 THR MG 1 104 ALA HA . . 4.410 3.178 2.926 3.391 . 0 0 "[ . 1 . 2]" 1
1664 1 88 THR MG 1 106 THR HA . . 4.170 3.889 3.740 4.201 0.031 19 0 "[ . 1 . 2]" 1
1665 1 88 THR MG 1 90 GLU HA . . 5.030 4.042 3.944 4.202 . 0 0 "[ . 1 . 2]" 1
1666 1 88 THR MG 1 89 ILE HA . . 4.430 3.760 3.612 4.007 . 0 0 "[ . 1 . 2]" 1
1667 1 88 THR HA 1 88 THR MG . . 3.120 2.716 2.533 2.801 . 0 0 "[ . 1 . 2]" 1
1668 1 88 THR MG 1 90 GLU HG2 . . 3.640 3.088 3.002 3.407 . 0 0 "[ . 1 . 2]" 1
1669 1 88 THR MG 1 90 GLU HB2 . . 4.510 4.560 4.312 4.650 0.140 10 0 "[ . 1 . 2]" 1
1670 1 49 THR MG 1 96 SER H . . 4.470 2.951 2.545 3.382 . 0 0 "[ . 1 . 2]" 1
1671 1 49 THR H 1 49 THR MG . . 3.690 2.662 2.267 3.071 . 0 0 "[ . 1 . 2]" 1
1672 1 49 THR MG 1 96 SER HB3 . . 4.040 3.554 2.798 4.132 0.092 16 0 "[ . 1 . 2]" 1
1673 1 49 THR MG 1 94 MET HB2 . . 5.020 5.052 4.479 5.290 0.270 13 0 "[ . 1 . 2]" 1
1674 1 47 ILE HB 1 49 THR MG . . 4.420 4.237 3.963 4.405 . 0 0 "[ . 1 . 2]" 1
1675 1 21 VAL MG1 1 93 ALA H . . 4.110 3.362 2.855 4.038 . 0 0 "[ . 1 . 2]" 1
1676 1 21 VAL H 1 21 VAL MG1 . . 3.430 2.341 2.092 2.520 . 0 0 "[ . 1 . 2]" 1
1677 1 21 VAL MG1 1 39 GLN H . . 4.710 4.431 3.921 4.750 0.040 18 0 "[ . 1 . 2]" 1
1678 1 21 VAL MG1 1 51 TYR QD . . 4.150 2.509 2.209 2.951 . 0 0 "[ . 1 . 2]" 1
1679 1 21 VAL MG1 1 51 TYR QE . . 3.150 2.252 1.900 2.858 . 0 0 "[ . 1 . 2]" 1
1680 1 21 VAL MG1 1 38 TRP HD1 . . 3.530 2.798 2.411 3.178 . 0 0 "[ . 1 . 2]" 1
1681 1 21 VAL MG1 1 38 TRP HE1 . . 4.260 3.467 3.250 3.732 . 0 0 "[ . 1 . 2]" 1
1682 1 20 PRO HA 1 21 VAL MG1 . . 4.280 3.903 3.733 4.058 . 0 0 "[ . 1 . 2]" 1
1683 1 21 VAL MG1 1 41 PRO HD3 . . 3.510 2.307 1.987 2.562 . 0 0 "[ . 1 . 2]" 1
1684 1 21 VAL HA 1 21 VAL MG1 . . 3.220 2.206 2.091 2.302 . 0 0 "[ . 1 . 2]" 1
1685 1 21 VAL MG1 1 103 SER HB2 . . 4.980 4.283 4.025 4.546 . 0 0 "[ . 1 . 2]" 1
1686 1 21 VAL MG1 1 38 TRP HB3 . . 4.880 4.720 4.256 4.961 0.081 9 0 "[ . 1 . 2]" 1
1687 1 21 VAL MG1 1 41 PRO HB3 . . 4.140 3.434 3.204 3.547 . 0 0 "[ . 1 . 2]" 1
1688 1 21 VAL MG1 1 41 PRO HG2 . . 3.940 3.828 3.526 3.988 0.048 4 0 "[ . 1 . 2]" 1
1689 1 21 VAL MG1 1 41 PRO HG3 . . 3.500 2.381 2.168 2.547 . 0 0 "[ . 1 . 2]" 1
1690 1 21 VAL MG1 1 91 VAL MG2 . . 4.660 4.717 4.683 4.776 0.116 14 0 "[ . 1 . 2]" 1
1691 1 21 VAL MG1 1 91 VAL MG1 . . 3.140 2.476 2.305 2.572 . 0 0 "[ . 1 . 2]" 1
1692 1 30 LEU QD 1 31 ASP H . . 3.790 3.493 3.337 3.551 . 0 0 "[ . 1 . 2]" 1
1693 1 29 ILE H 1 30 LEU QD . . 4.910 3.881 3.469 4.748 . 0 0 "[ . 1 . 2]" 1
1694 1 30 LEU QD 1 113 PRO HB3 . . 4.830 4.869 4.833 4.934 0.104 14 0 "[ . 1 . 2]" 1
1695 1 90 GLU HA 1 90 GLU HG2 . . 4.270 3.141 2.562 3.383 . 0 0 "[ . 1 . 2]" 1
1696 1 89 ILE HA 1 90 GLU HA . . 4.830 4.332 4.330 4.337 . 0 0 "[ . 1 . 2]" 1
1697 1 44 LYS HB2 1 45 ASN HA . . 5.290 4.635 4.466 4.777 . 0 0 "[ . 1 . 2]" 1
1698 1 90 GLU HA 1 105 SER H . . 4.170 3.703 3.542 3.914 . 0 0 "[ . 1 . 2]" 1
1699 1 90 GLU HA 1 104 ALA H . . 4.870 4.021 3.914 4.079 . 0 0 "[ . 1 . 2]" 1
1700 1 90 GLU HA 1 91 VAL H . . 3.210 2.206 2.202 2.224 . 0 0 "[ . 1 . 2]" 1
1701 1 90 GLU HA 1 103 SER H . . 5.000 4.070 3.813 4.316 . 0 0 "[ . 1 . 2]" 1
1702 1 90 GLU HA 1 90 GLU HG3 . . 3.990 2.595 2.560 2.709 . 0 0 "[ . 1 . 2]" 1
1703 1 44 LYS H 1 45 ASN HA . . 5.020 5.082 4.870 5.141 0.121 5 0 "[ . 1 . 2]" 1
1704 1 87 TYR H 1 106 THR MG . . 4.420 3.696 3.196 4.006 . 0 0 "[ . 1 . 2]" 1
1705 1 88 THR H 1 106 THR MG . . 4.750 4.466 4.276 4.688 . 0 0 "[ . 1 . 2]" 1
1706 1 106 THR MG 1 107 ILE H . . 3.420 2.868 2.568 3.160 . 0 0 "[ . 1 . 2]" 1
1707 1 58 TYR H 1 106 THR MG . . 5.120 5.038 4.820 5.188 0.068 2 0 "[ . 1 . 2]" 1
1708 1 106 THR H 1 106 THR MG . . 3.860 3.591 3.534 3.654 . 0 0 "[ . 1 . 2]" 1
1709 1 58 TYR QD 1 106 THR MG . . 3.380 2.589 2.427 2.711 . 0 0 "[ . 1 . 2]" 1
1710 1 58 TYR QE 1 106 THR MG . . 3.610 3.631 3.561 3.658 0.048 8 0 "[ . 1 . 2]" 1
1711 1 106 THR HA 1 106 THR MG . . 3.190 2.082 2.030 2.181 . 0 0 "[ . 1 . 2]" 1
1712 1 88 THR HA 1 106 THR MG . . 3.540 3.479 3.409 3.544 0.004 5 0 "[ . 1 . 2]" 1
1713 1 86 THR HA 1 106 THR MG . . 4.740 4.187 3.970 4.660 . 0 0 "[ . 1 . 2]" 1
1714 1 106 THR MG 1 107 ILE HA . . 4.450 4.362 4.108 4.495 0.045 19 0 "[ . 1 . 2]" 1
1715 1 88 THR HB 1 106 THR MG . . 4.660 3.897 3.504 4.367 . 0 0 "[ . 1 . 2]" 1
1716 1 58 TYR HB2 1 106 THR MG . . 4.040 3.812 3.214 3.970 . 0 0 "[ . 1 . 2]" 1
1717 1 92 ALA H 1 102 VAL MG2 . . 4.460 2.785 2.660 2.925 . 0 0 "[ . 1 . 2]" 1
1718 1 102 VAL MG2 1 104 ALA H . . 4.940 4.732 4.453 4.947 0.007 13 0 "[ . 1 . 2]" 1
1719 1 91 VAL H 1 102 VAL MG2 . . 4.100 2.924 2.360 3.195 . 0 0 "[ . 1 . 2]" 1
1720 1 102 VAL MG2 1 103 SER H . . 3.700 2.583 2.317 2.744 . 0 0 "[ . 1 . 2]" 1
1721 1 99 GLN HE21 1 102 VAL MG2 . . 4.560 3.843 2.920 4.511 . 0 0 "[ . 1 . 2]" 1
1722 1 99 GLN HE22 1 102 VAL MG2 . . 4.820 3.307 2.788 3.991 . 0 0 "[ . 1 . 2]" 1
1723 1 102 VAL MG2 1 104 ALA HA . . 4.990 4.617 4.303 4.851 . 0 0 "[ . 1 . 2]" 1
1724 1 90 GLU HA 1 102 VAL MG2 . . 4.410 3.275 2.792 3.615 . 0 0 "[ . 1 . 2]" 1
1725 1 102 VAL HA 1 102 VAL MG2 . . 3.340 2.027 1.964 2.197 . 0 0 "[ . 1 . 2]" 1
1726 1 90 GLU HG2 1 102 VAL MG2 . . 4.290 3.829 3.261 3.963 . 0 0 "[ . 1 . 2]" 1
1727 1 56 GLU HA 1 57 GLU H . . 3.510 2.378 2.265 2.691 . 0 0 "[ . 1 . 2]" 1
1728 1 86 THR MG 1 107 ILE H . . 3.910 3.420 3.014 3.753 . 0 0 "[ . 1 . 2]" 1
1729 1 86 THR MG 1 108 SER H . . 5.100 4.252 4.049 4.384 . 0 0 "[ . 1 . 2]" 1
1730 1 86 THR MG 1 108 SER HA . . 3.840 3.633 3.526 3.867 0.027 2 0 "[ . 1 . 2]" 1
1731 1 86 THR MG 1 107 ILE HA . . 4.470 4.360 3.981 4.536 0.066 2 0 "[ . 1 . 2]" 1
1732 1 56 GLU HA 1 65 VAL H . . 4.530 4.516 4.288 4.627 0.097 9 0 "[ . 1 . 2]" 1
1733 1 56 GLU HA 1 56 GLU HG3 . . 4.160 3.734 3.569 4.010 . 0 0 "[ . 1 . 2]" 1
1734 1 75 GLU HA 1 76 TYR H . . 3.220 2.356 2.298 2.425 . 0 0 "[ . 1 . 2]" 1
1735 1 38 TRP HE3 1 75 GLU HA . . 4.750 3.645 3.484 3.882 . 0 0 "[ . 1 . 2]" 1
1736 1 38 TRP HZ3 1 75 GLU HA . . 4.310 3.180 3.017 3.609 . 0 0 "[ . 1 . 2]" 1
1737 1 37 SER HA 1 75 GLU HA . . 3.220 2.038 1.986 2.133 . 0 0 "[ . 1 . 2]" 1
1738 1 86 THR MG 1 87 TYR H . . 3.410 2.811 2.332 3.093 . 0 0 "[ . 1 . 2]" 1
1739 1 86 THR H 1 86 THR MG . . 3.740 3.712 3.666 3.739 . 0 0 "[ . 1 . 2]" 1
1740 1 58 TYR QD 1 86 THR MG . . 3.850 2.736 2.356 3.030 . 0 0 "[ . 1 . 2]" 1
1741 1 86 THR HA 1 86 THR MG . . 3.310 2.381 2.254 2.448 . 0 0 "[ . 1 . 2]" 1
1742 1 58 TYR HA 1 86 THR MG . . 4.390 3.272 2.967 3.880 . 0 0 "[ . 1 . 2]" 1
1743 1 58 TYR HB2 1 86 THR MG . . 3.300 2.439 2.096 2.677 . 0 0 "[ . 1 . 2]" 1
1744 1 86 THR MG 1 106 THR MG . . 2.830 1.929 1.657 2.300 . 0 0 "[ . 1 . 2]" 1
1745 1 86 THR MG 1 87 TYR HA . . 4.660 3.868 3.676 4.072 . 0 0 "[ . 1 . 2]" 1
1746 1 55 TRP HE1 1 65 VAL QG . . 3.570 2.693 1.875 3.078 . 0 0 "[ . 1 . 2]" 1
1747 1 65 VAL QG 1 67 HIS H . . 4.990 3.632 3.316 4.073 . 0 0 "[ . 1 . 2]" 1
1748 1 65 VAL H 1 65 VAL QG . . 3.410 2.436 2.243 2.831 . 0 0 "[ . 1 . 2]" 1
1749 1 65 VAL QG 1 66 THR H . . 3.200 1.967 1.891 2.080 . 0 0 "[ . 1 . 2]" 1
1750 1 55 TRP HZ2 1 65 VAL QG . . 3.410 2.489 2.196 2.656 . 0 0 "[ . 1 . 2]" 1
1751 1 55 TRP HH2 1 65 VAL QG . . 3.820 2.957 2.705 3.242 . 0 0 "[ . 1 . 2]" 1
1752 1 65 VAL QG 1 67 HIS HD2 . . 3.650 2.986 2.753 3.258 . 0 0 "[ . 1 . 2]" 1
1753 1 65 VAL QG 1 66 THR HB . . 4.650 4.070 4.011 4.155 . 0 0 "[ . 1 . 2]" 1
1754 1 91 VAL MG2 1 102 VAL MG2 . . 4.880 4.396 4.091 4.529 . 0 0 "[ . 1 . 2]" 1
1755 1 39 GLN HA 1 40 GLU H . . 3.010 2.688 2.655 2.705 . 0 0 "[ . 1 . 2]" 1
1756 1 38 TRP H 1 39 GLN HA . . 5.100 4.440 4.356 4.592 . 0 0 "[ . 1 . 2]" 1
1757 1 38 TRP HD1 1 39 GLN HA . . 5.110 3.749 3.568 3.912 . 0 0 "[ . 1 . 2]" 1
1758 1 39 GLN HA 1 40 GLU HB2 . . 4.510 4.495 4.430 4.526 0.016 9 0 "[ . 1 . 2]" 1
1759 1 83 ALA HA 1 109 SER QB . . 4.690 2.957 2.649 3.195 . 0 0 "[ . 1 . 2]" 1
1760 1 83 ALA HA 1 84 LEU H . . 3.190 2.261 2.243 2.283 . 0 0 "[ . 1 . 2]" 1
1761 1 83 ALA HA 1 109 SER HG . . 3.770 2.301 2.147 2.432 . 0 0 "[ . 1 . 2]" 1
1762 1 31 ASP HA 1 83 ALA HA . . 3.880 2.782 2.421 3.053 . 0 0 "[ . 1 . 2]" 1
1763 1 31 ASP HB2 1 83 ALA HA . . 4.110 2.601 2.200 2.887 . 0 0 "[ . 1 . 2]" 1
1764 1 83 ALA HA 1 84 LEU HG . . 4.340 4.326 4.110 4.424 0.084 1 0 "[ . 1 . 2]" 1
1765 1 81 LEU HA 1 82 THR H . . 3.420 3.029 2.752 3.150 . 0 0 "[ . 1 . 2]" 1
1766 1 81 LEU HA 1 87 TYR QE . . 4.840 3.016 2.465 3.471 . 0 0 "[ . 1 . 2]" 1
1767 1 78 VAL QG 1 81 LEU HA . . 4.830 4.666 4.195 4.760 . 0 0 "[ . 1 . 2]" 1
1768 1 36 VAL QG 1 38 TRP H . . 4.940 4.479 3.757 4.719 . 0 0 "[ . 1 . 2]" 1
1769 1 36 VAL QG 1 75 GLU HA . . 4.060 3.540 2.692 3.882 . 0 0 "[ . 1 . 2]" 1
1770 1 36 VAL QG 1 37 SER QB . . 4.810 4.156 3.852 4.418 . 0 0 "[ . 1 . 2]" 1
1771 1 36 VAL QG 1 76 TYR HB2 . . 5.130 4.690 3.454 4.894 . 0 0 "[ . 1 . 2]" 1
1772 1 36 VAL QG 1 91 VAL MG1 . . 4.560 3.719 3.545 3.835 . 0 0 "[ . 1 . 2]" 1
1773 1 54 SER H 1 91 VAL MG2 . . 4.440 3.775 3.269 3.948 . 0 0 "[ . 1 . 2]" 1
1774 1 91 VAL MG2 1 92 ALA H . . 4.060 4.089 3.960 4.148 0.088 17 0 "[ . 1 . 2]" 1
1775 1 37 SER H 1 91 VAL MG2 . . 5.080 4.664 4.423 4.890 . 0 0 "[ . 1 . 2]" 1
1776 1 91 VAL H 1 91 VAL MG2 . . 3.880 2.734 2.584 3.057 . 0 0 "[ . 1 . 2]" 1
1777 1 26 PHE QE 1 91 VAL MG2 . . 4.840 4.206 3.914 4.889 0.049 5 0 "[ . 1 . 2]" 1
1778 1 26 PHE HZ 1 91 VAL MG2 . . 5.030 4.880 4.441 5.117 0.087 18 0 "[ . 1 . 2]" 1
1779 1 38 TRP HE3 1 91 VAL MG2 . . 4.080 2.208 1.964 2.776 . 0 0 "[ . 1 . 2]" 1
1780 1 38 TRP HZ3 1 91 VAL MG2 . . 4.400 2.744 2.345 2.888 . 0 0 "[ . 1 . 2]" 1
1781 1 38 TRP HH2 1 91 VAL MG2 . . 5.190 3.766 3.315 4.024 . 0 0 "[ . 1 . 2]" 1
1782 1 53 ILE HA 1 91 VAL MG2 . . 3.890 3.179 2.638 3.409 . 0 0 "[ . 1 . 2]" 1
1783 1 90 GLU HA 1 91 VAL MG2 . . 4.540 3.678 3.586 4.078 . 0 0 "[ . 1 . 2]" 1
1784 1 91 VAL HA 1 91 VAL MG2 . . 3.360 2.354 2.148 2.414 . 0 0 "[ . 1 . 2]" 1
1785 1 36 VAL HB 1 91 VAL MG2 . . 5.100 4.178 3.980 4.298 . 0 0 "[ . 1 . 2]" 1
1786 1 53 ILE HG13 1 91 VAL MG2 . . 3.630 2.152 1.930 2.702 . 0 0 "[ . 1 . 2]" 1
1787 1 89 ILE MG 1 91 VAL MG2 . . 2.980 2.581 2.442 2.723 . 0 0 "[ . 1 . 2]" 1
1788 1 24 LEU QD 1 91 VAL MG2 . . 3.110 1.829 1.670 1.960 . 0 0 "[ . 1 . 2]" 1
1789 1 82 THR MG 1 83 ALA H . . 3.120 2.296 1.931 2.523 . 0 0 "[ . 1 . 2]" 1
1790 1 82 THR H 1 82 THR MG . . 3.940 3.922 3.829 3.987 0.047 4 0 "[ . 1 . 2]" 1
1791 1 82 THR MG 1 87 TYR QE . . 5.050 3.828 3.597 4.230 . 0 0 "[ . 1 . 2]" 1
1792 1 82 THR HA 1 82 THR MG . . 2.990 2.316 2.160 2.523 . 0 0 "[ . 1 . 2]" 1
1793 1 57 GLU H 1 63 THR MG . . 4.020 3.709 3.180 4.093 0.073 19 0 "[ . 1 . 2]" 1
1794 1 63 THR H 1 63 THR MG . . 3.280 2.353 1.907 2.966 . 0 0 "[ . 1 . 2]" 1
1795 1 63 THR MG 1 64 ARG H . . 4.390 4.270 3.935 4.400 0.010 14 0 "[ . 1 . 2]" 1
1796 1 62 ASN HD21 1 63 THR MG . . 4.720 3.970 2.378 5.011 0.291 4 0 "[ . 1 . 2]" 1
1797 1 56 GLU HA 1 63 THR MG . . 4.530 4.823 4.155 5.167 0.637 15 5 "[* - 1 *+ * 2]" 1
1798 1 63 THR HA 1 63 THR MG . . 2.940 2.547 2.267 2.693 . 0 0 "[ . 1 . 2]" 1
1799 1 57 GLU QG 1 63 THR MG . . 4.040 2.896 2.415 3.501 . 0 0 "[ . 1 . 2]" 1
1800 1 13 THR H 1 13 THR MG . . 4.590 2.738 2.111 3.539 . 0 0 "[ . 1 . 2]" 1
1801 1 95 THR MG 1 96 SER H . . 4.490 3.422 3.263 3.718 . 0 0 "[ . 1 . 2]" 1
1802 1 49 THR H 1 95 THR MG . . 3.900 3.393 3.114 3.606 . 0 0 "[ . 1 . 2]" 1
1803 1 48 LEU H 1 95 THR MG . . 4.850 3.607 3.275 3.906 . 0 0 "[ . 1 . 2]" 1
1804 1 95 THR H 1 95 THR MG . . 3.650 3.075 2.555 3.278 . 0 0 "[ . 1 . 2]" 1
1805 1 94 MET H 1 95 THR MG . . 4.770 3.972 3.649 4.402 . 0 0 "[ . 1 . 2]" 1
1806 1 95 THR MG 1 97 LYS H . . 4.280 4.190 4.059 4.499 0.219 18 0 "[ . 1 . 2]" 1
1807 1 95 THR MG 1 98 GLY H . . 4.550 4.436 4.175 4.599 0.049 18 0 "[ . 1 . 2]" 1
1808 1 50 GLY H 1 95 THR MG . . 4.910 4.637 4.251 4.955 0.045 4 0 "[ . 1 . 2]" 1
1809 1 94 MET HA 1 95 THR MG . . 4.080 3.864 3.310 4.152 0.072 18 0 "[ . 1 . 2]" 1
1810 1 95 THR HA 1 95 THR MG . . 3.270 2.318 2.159 2.503 . 0 0 "[ . 1 . 2]" 1
1811 1 46 GLY HA3 1 95 THR MG . . 3.530 3.560 3.220 3.646 0.116 5 0 "[ . 1 . 2]" 1
1812 1 18 PRO HD2 1 95 THR MG . . 3.310 3.357 2.760 3.620 0.310 17 0 "[ . 1 . 2]" 1
1813 1 18 PRO HD3 1 95 THR MG . . 3.800 2.026 1.772 2.359 . 0 0 "[ . 1 . 2]" 1
1814 1 18 PRO HB3 1 95 THR MG . . 4.200 3.028 2.672 3.295 . 0 0 "[ . 1 . 2]" 1
1815 1 70 PRO HA 1 72 VAL MG1 . . 5.140 4.809 4.654 5.030 . 0 0 "[ . 1 . 2]" 1
1816 1 84 LEU H 1 111 VAL MG2 . . 4.680 4.689 4.569 4.819 0.139 2 0 "[ . 1 . 2]" 1
1817 1 66 THR MG 1 67 HIS H . . 3.260 3.092 2.651 3.309 0.049 20 0 "[ . 1 . 2]" 1
1818 1 53 ILE H 1 66 THR MG . . 4.140 4.933 4.675 5.362 1.222 15 20 [**************+***-*] 1
1819 1 66 THR H 1 66 THR MG . . 3.960 3.866 3.811 3.905 . 0 0 "[ . 1 . 2]" 1
1820 1 66 THR MG 1 68 TYR QD . . 4.370 4.059 3.731 4.192 . 0 0 "[ . 1 . 2]" 1
1821 1 66 THR MG 1 68 TYR QE . . 3.670 3.077 2.520 3.363 . 0 0 "[ . 1 . 2]" 1
1822 1 54 SER HA 1 66 THR MG . . 4.230 5.187 4.836 5.471 1.241 7 20 [****-*+*************] 1
1823 1 66 THR HA 1 66 THR MG . . 3.160 2.407 2.294 2.472 . 0 0 "[ . 1 . 2]" 1
1824 1 52 ARG HD2 1 66 THR MG . . 3.640 2.881 1.931 3.760 0.120 6 0 "[ . 1 . 2]" 1
1825 1 52 ARG HD3 1 66 THR MG . . 3.700 3.117 2.149 3.771 0.071 18 0 "[ . 1 . 2]" 1
1826 1 61 THR MG 1 64 ARG HD2 . . 4.660 3.539 2.580 4.656 . 0 0 "[ . 1 . 2]" 1
1827 1 12 ARG HA 1 13 THR MG . . 4.620 3.822 3.173 4.394 . 0 0 "[ . 1 . 2]" 1
1828 1 72 VAL MG1 1 73 THR H . . 3.960 3.940 3.861 3.997 0.037 3 0 "[ . 1 . 2]" 1
1829 1 72 VAL H 1 72 VAL MG1 . . 3.180 2.579 2.447 2.862 . 0 0 "[ . 1 . 2]" 1
1830 1 72 VAL HA 1 72 VAL MG1 . . 2.690 2.440 2.365 2.495 . 0 0 "[ . 1 . 2]" 1
1831 1 111 VAL MG2 1 112 PRO HB2 . . 4.760 4.409 4.366 4.497 . 0 0 "[ . 1 . 2]" 1
1832 1 111 VAL MG2 1 112 PRO HD3 . . 3.460 2.826 2.813 2.835 . 0 0 "[ . 1 . 2]" 1
1833 1 102 VAL H 1 102 VAL MG1 . . 3.590 2.615 2.342 2.974 . 0 0 "[ . 1 . 2]" 1
1834 1 91 VAL H 1 102 VAL MG1 . . 3.940 4.020 3.921 4.084 0.144 19 0 "[ . 1 . 2]" 1
1835 1 102 VAL MG1 1 103 SER H . . 3.520 3.395 3.230 3.575 0.055 14 0 "[ . 1 . 2]" 1
1836 1 90 GLU HA 1 102 VAL MG1 . . 3.960 3.626 3.544 3.796 . 0 0 "[ . 1 . 2]" 1
1837 1 102 VAL HA 1 102 VAL MG1 . . 3.450 3.158 3.141 3.189 . 0 0 "[ . 1 . 2]" 1
1838 1 102 VAL MG1 1 103 SER HB2 . . 5.230 5.099 4.996 5.255 0.025 14 0 "[ . 1 . 2]" 1
1839 1 90 GLU HG2 1 102 VAL MG1 . . 3.830 3.029 2.580 3.223 . 0 0 "[ . 1 . 2]" 1
1840 1 102 VAL MG1 1 104 ALA H . . 4.160 3.444 3.308 3.557 . 0 0 "[ . 1 . 2]" 1
1841 1 102 VAL MG1 1 104 ALA HA . . 4.460 4.204 4.109 4.363 . 0 0 "[ . 1 . 2]" 1
1842 1 16 ASP H 1 17 VAL MG1 . . 4.850 4.525 4.057 4.925 0.075 17 0 "[ . 1 . 2]" 1
1843 1 17 VAL MG1 1 99 GLN H . . 4.370 2.930 2.480 3.279 . 0 0 "[ . 1 . 2]" 1
1844 1 17 VAL MG1 1 95 THR H . . 4.670 3.513 3.157 3.750 . 0 0 "[ . 1 . 2]" 1
1845 1 17 VAL H 1 17 VAL MG1 . . 3.470 2.468 2.359 2.975 . 0 0 "[ . 1 . 2]" 1
1846 1 17 VAL MG1 1 98 GLY H . . 4.090 2.710 2.238 3.039 . 0 0 "[ . 1 . 2]" 1
1847 1 17 VAL MG1 1 95 THR HG1 . . 4.800 2.683 2.145 3.375 . 0 0 "[ . 1 . 2]" 1
1848 1 17 VAL HA 1 17 VAL MG1 . . 3.140 2.242 2.213 2.253 . 0 0 "[ . 1 . 2]" 1
1849 1 17 VAL MG1 1 98 GLY HA2 . . 3.740 3.962 3.852 4.186 0.446 9 0 "[ . 1 . 2]" 1
1850 1 17 VAL MG1 1 100 GLY HA2 . . 4.000 3.181 3.050 3.460 . 0 0 "[ . 1 . 2]" 1
1851 1 17 VAL MG1 1 100 GLY HA3 . . 4.630 3.780 3.651 3.908 . 0 0 "[ . 1 . 2]" 1
1852 1 17 VAL MG1 1 18 PRO HD2 . . 3.880 2.772 2.713 2.804 . 0 0 "[ . 1 . 2]" 1
1853 1 17 VAL MG1 1 98 GLY HA3 . . 4.130 3.042 2.871 3.355 . 0 0 "[ . 1 . 2]" 1
1854 1 17 VAL MG1 1 18 PRO HD3 . . 3.820 2.917 2.842 3.004 . 0 0 "[ . 1 . 2]" 1
1855 1 16 ASP HB2 1 17 VAL MG1 . . 4.810 4.778 4.536 4.891 0.081 20 0 "[ . 1 . 2]" 1
1856 1 17 VAL MG1 1 97 LYS HB3 . . 3.570 3.278 1.969 4.131 0.561 18 1 "[ . 1 . + 2]" 1
1857 1 17 VAL MG1 1 97 LYS QD . . 4.050 3.358 2.771 4.144 0.094 14 0 "[ . 1 . 2]" 1
1858 1 17 VAL MG1 1 97 LYS HG3 . . 4.190 2.537 1.865 3.923 . 0 0 "[ . 1 . 2]" 1
1859 1 36 VAL H 1 78 VAL QG . . 5.110 3.429 3.129 3.772 . 0 0 "[ . 1 . 2]" 1
1860 1 78 VAL H 1 78 VAL QG . . 3.470 2.307 1.746 2.490 . 0 0 "[ . 1 . 2]" 1
1861 1 34 LEU H 1 78 VAL QG . . 4.240 3.313 1.877 3.731 . 0 0 "[ . 1 . 2]" 1
1862 1 55 TRP HE3 1 78 VAL QG . . 4.060 2.234 1.890 3.387 . 0 0 "[ . 1 . 2]" 1
1863 1 76 TYR QD 1 78 VAL QG . . 3.300 2.427 1.954 3.098 . 0 0 "[ . 1 . 2]" 1
1864 1 76 TYR QE 1 78 VAL QG . . 3.600 3.102 2.282 3.488 . 0 0 "[ . 1 . 2]" 1
1865 1 35 LYS HA 1 78 VAL QG . . 4.640 3.725 3.338 4.032 . 0 0 "[ . 1 . 2]" 1
1866 1 76 TYR HB3 1 78 VAL QG . . 4.820 3.924 3.488 4.787 . 0 0 "[ . 1 . 2]" 1
1867 1 36 VAL HB 1 78 VAL QG . . 4.590 3.134 2.739 4.030 . 0 0 "[ . 1 . 2]" 1
1868 1 78 VAL QG 1 79 THR MG . . 4.480 3.767 3.491 3.898 . 0 0 "[ . 1 . 2]" 1
1869 1 78 VAL QG 1 81 LEU MD2 . . 3.010 1.882 1.686 2.755 . 0 0 "[ . 1 . 2]" 1
1870 1 30 LEU HA 1 31 ASP H . . 3.580 3.287 3.132 3.346 . 0 0 "[ . 1 . 2]" 1
1871 1 29 ILE HA 1 30 LEU HA . . 4.790 4.375 4.360 4.417 . 0 0 "[ . 1 . 2]" 1
1872 1 30 LEU HA 1 110 GLY HA3 . . 5.140 3.682 3.475 3.891 . 0 0 "[ . 1 . 2]" 1
1873 1 30 LEU HA 1 30 LEU HG . . 3.960 3.523 2.970 3.741 . 0 0 "[ . 1 . 2]" 1
1874 1 78 VAL QG 1 79 THR H . . 3.660 2.142 1.969 2.304 . 0 0 "[ . 1 . 2]" 1
1875 1 77 ARG HA 1 78 VAL QG . . 4.540 3.456 2.991 3.723 . 0 0 "[ . 1 . 2]" 1
1876 1 30 LEU HA 1 110 GLY H . . 5.180 4.201 3.991 5.088 . 0 0 "[ . 1 . 2]" 1
1877 1 30 LEU HA 1 31 ASP HA . . 4.950 4.409 4.371 4.428 . 0 0 "[ . 1 . 2]" 1
1878 1 93 ALA H 1 93 ALA MB . . 3.280 2.266 2.127 2.438 . 0 0 "[ . 1 . 2]" 1
1879 1 93 ALA MB 1 100 GLY H . . 4.710 3.583 3.412 3.976 . 0 0 "[ . 1 . 2]" 1
1880 1 93 ALA MB 1 94 MET H . . 3.380 2.626 2.363 3.125 . 0 0 "[ . 1 . 2]" 1
1881 1 50 GLY H 1 93 ALA MB . . 4.790 4.803 4.649 4.880 0.090 16 0 "[ . 1 . 2]" 1
1882 1 51 TYR QD 1 93 ALA MB . . 4.130 2.650 2.379 2.857 . 0 0 "[ . 1 . 2]" 1
1883 1 51 TYR QE 1 93 ALA MB . . 3.190 2.274 1.919 2.690 . 0 0 "[ . 1 . 2]" 1
1884 1 51 TYR HA 1 93 ALA MB . . 3.910 3.914 3.700 4.059 0.149 9 0 "[ . 1 . 2]" 1
1885 1 18 PRO HA 1 93 ALA MB . . 4.800 4.887 4.835 4.921 0.121 14 0 "[ . 1 . 2]" 1
1886 1 41 PRO HD3 1 93 ALA MB . . 3.910 3.404 3.201 3.719 . 0 0 "[ . 1 . 2]" 1
1887 1 21 VAL HA 1 93 ALA MB . . 4.340 4.059 3.866 4.367 0.027 15 0 "[ . 1 . 2]" 1
1888 1 41 PRO HD2 1 93 ALA MB . . 4.000 3.911 3.624 4.090 0.090 15 0 "[ . 1 . 2]" 1
1889 1 18 PRO HD3 1 93 ALA MB . . 4.750 4.364 4.183 4.598 . 0 0 "[ . 1 . 2]" 1
1890 1 21 VAL HB 1 93 ALA MB . . 5.130 4.745 4.387 5.064 . 0 0 "[ . 1 . 2]" 1
1891 1 18 PRO HB3 1 93 ALA MB . . 3.650 3.649 3.433 3.724 0.074 18 0 "[ . 1 . 2]" 1
1892 1 93 ALA MB 1 94 MET HG3 . . 4.600 4.507 4.207 4.682 0.082 2 0 "[ . 1 . 2]" 1
1893 1 18 PRO HB2 1 93 ALA MB . . 3.290 2.728 2.535 2.820 . 0 0 "[ . 1 . 2]" 1
1894 1 18 PRO HG3 1 93 ALA MB . . 3.470 2.802 2.431 3.057 . 0 0 "[ . 1 . 2]" 1
1895 1 41 PRO HG2 1 93 ALA MB . . 3.340 3.167 3.014 3.346 0.006 4 0 "[ . 1 . 2]" 1
1896 1 41 PRO HG3 1 93 ALA MB . . 3.300 2.428 2.120 2.733 . 0 0 "[ . 1 . 2]" 1
1897 1 18 PRO HG2 1 93 ALA MB . . 3.240 1.934 1.870 2.038 . 0 0 "[ . 1 . 2]" 1
1898 1 21 VAL MG1 1 93 ALA MB . . 3.120 2.256 2.029 2.444 . 0 0 "[ . 1 . 2]" 1
1899 1 91 VAL MG1 1 93 ALA MB . . 4.610 4.503 4.273 4.663 0.053 18 0 "[ . 1 . 2]" 1
1900 1 78 VAL H 1 79 THR MG . . 4.630 3.790 3.696 3.902 . 0 0 "[ . 1 . 2]" 1
1901 1 34 LEU H 1 79 THR MG . . 4.280 3.617 3.314 4.107 . 0 0 "[ . 1 . 2]" 1
1902 1 79 THR H 1 79 THR MG . . 3.560 3.037 2.875 3.209 . 0 0 "[ . 1 . 2]" 1
1903 1 33 SER HA 1 79 THR MG . . 4.070 2.944 2.546 3.494 . 0 0 "[ . 1 . 2]" 1
1904 1 79 THR HA 1 79 THR MG . . 3.140 2.437 2.350 2.541 . 0 0 "[ . 1 . 2]" 1
1905 1 77 ARG HA 1 79 THR MG . . 4.700 4.606 4.376 4.897 0.197 10 0 "[ . 1 . 2]" 1
1906 1 33 SER QB 1 79 THR MG . . 3.520 1.999 1.743 2.234 . 0 0 "[ . 1 . 2]" 1
1907 1 77 ARG HD3 1 79 THR MG . . 4.070 3.610 1.792 4.699 0.629 16 5 "[* .* *1 - .+ 2]" 1
1908 1 77 ARG HG3 1 79 THR MG . . 3.590 3.356 2.538 4.374 0.784 14 3 "[ . 1 *+. -2]" 1
1909 1 78 VAL HA 1 79 THR MG . . 4.250 3.324 3.084 3.585 . 0 0 "[ . 1 . 2]" 1
1910 1 74 LEU HA 1 75 GLU H . . 3.610 3.203 3.173 3.315 . 0 0 "[ . 1 . 2]" 1
1911 1 38 TRP HD1 1 74 LEU HA . . 4.830 3.737 3.531 3.829 . 0 0 "[ . 1 . 2]" 1
1912 1 74 LEU HA 1 75 GLU HA . . 5.010 4.370 4.357 4.408 . 0 0 "[ . 1 . 2]" 1
1913 1 74 LEU HA 1 74 LEU HG . . 3.910 3.042 3.011 3.121 . 0 0 "[ . 1 . 2]" 1
1914 1 79 THR MG 1 81 LEU MD1 . . 5.010 4.452 4.198 5.041 0.031 10 0 "[ . 1 . 2]" 1
1915 1 77 ARG HB3 1 79 THR MG . . 4.000 3.700 3.418 3.949 . 0 0 "[ . 1 . 2]" 1
1916 1 11 VAL MG1 1 12 ARG H . . 4.870 3.564 2.703 4.178 . 0 0 "[ . 1 . 2]" 1
1917 1 11 VAL H 1 11 VAL MG1 . . 4.600 2.656 1.979 4.031 . 0 0 "[ . 1 . 2]" 1
1918 1 32 THR MG 1 80 GLY H . . 5.010 4.685 4.296 4.974 . 0 0 "[ . 1 . 2]" 1
1919 1 32 THR MG 1 81 LEU MD1 . . 4.790 4.679 4.322 4.905 0.115 10 0 "[ . 1 . 2]" 1
1920 1 32 THR MG 1 83 ALA H . . 4.240 2.633 2.431 2.865 . 0 0 "[ . 1 . 2]" 1
1921 1 32 THR H 1 32 THR MG . . 3.360 2.817 2.574 3.079 . 0 0 "[ . 1 . 2]" 1
1922 1 32 THR HA 1 32 THR MG . . 2.960 2.523 2.324 2.628 . 0 0 "[ . 1 . 2]" 1
1923 1 31 ASP HB3 1 32 THR MG . . 4.360 3.809 3.671 4.123 . 0 0 "[ . 1 . 2]" 1
1924 1 31 ASP HB2 1 32 THR MG . . 4.030 2.586 2.238 3.099 . 0 0 "[ . 1 . 2]" 1
1925 1 31 ASP H 1 32 THR MG . . 4.730 3.804 3.593 4.192 . 0 0 "[ . 1 . 2]" 1
1926 1 32 THR MG 1 81 LEU H . . 4.140 4.023 3.815 4.187 0.047 14 0 "[ . 1 . 2]" 1
1927 1 31 ASP HA 1 32 THR MG . . 4.750 3.856 3.744 4.115 . 0 0 "[ . 1 . 2]" 1
1928 1 32 THR MG 1 83 ALA MB . . 3.980 2.881 2.773 3.076 . 0 0 "[ . 1 . 2]" 1
1929 1 55 TRP HZ3 1 65 VAL QG . . 5.150 3.402 3.057 4.156 . 0 0 "[ . 1 . 2]" 1
1930 1 55 TRP HD1 1 65 VAL QG . . 4.390 3.097 2.676 3.452 . 0 0 "[ . 1 . 2]" 1
1931 1 56 GLU HA 1 65 VAL QG . . 4.850 4.607 4.049 4.830 . 0 0 "[ . 1 . 2]" 1
1932 1 64 ARG HA 1 65 VAL QG . . 4.200 3.727 3.368 3.880 . 0 0 "[ . 1 . 2]" 1
1933 1 55 TRP HE1 1 78 VAL QG . . 4.140 3.496 3.352 3.721 . 0 0 "[ . 1 . 2]" 1
1934 1 55 TRP HD1 1 78 VAL QG . . 4.470 3.333 3.137 3.700 . 0 0 "[ . 1 . 2]" 1
1935 1 78 VAL QG 1 79 THR HA . . 4.600 3.390 2.993 3.559 . 0 0 "[ . 1 . 2]" 1
1936 1 78 VAL QG 1 79 THR HB . . 4.740 5.018 4.741 5.140 0.400 7 0 "[ . 1 . 2]" 1
1937 1 55 TRP HB3 1 78 VAL QG . . 4.670 2.413 2.160 3.031 . 0 0 "[ . 1 . 2]" 1
1938 1 78 VAL QG 1 81 LEU HG . . 3.510 2.560 2.045 2.730 . 0 0 "[ . 1 . 2]" 1
1939 1 55 TRP HZ2 1 78 VAL QG . . 4.260 3.597 2.885 4.154 . 0 0 "[ . 1 . 2]" 1
1940 1 55 TRP HB2 1 78 VAL QG . . 4.800 2.569 2.182 3.347 . 0 0 "[ . 1 . 2]" 1
1941 1 78 VAL QG 1 89 ILE MG . . 3.820 2.580 2.311 3.030 . 0 0 "[ . 1 . 2]" 1
1942 1 69 LEU HA 1 70 PRO HB3 . . 4.970 4.978 4.975 4.983 0.013 3 0 "[ . 1 . 2]" 1
1943 1 52 ARG H 1 91 VAL MG1 . . 4.430 4.382 4.041 4.505 0.075 6 0 "[ . 1 . 2]" 1
1944 1 91 VAL MG1 1 92 ALA H . . 3.400 2.803 2.529 3.027 . 0 0 "[ . 1 . 2]" 1
1945 1 91 VAL H 1 91 VAL MG1 . . 4.440 3.756 3.663 3.776 . 0 0 "[ . 1 . 2]" 1
1946 1 51 TYR QD 1 91 VAL MG1 . . 4.240 3.359 3.115 3.711 . 0 0 "[ . 1 . 2]" 1
1947 1 38 TRP HE3 1 91 VAL MG1 . . 4.320 3.086 2.892 3.201 . 0 0 "[ . 1 . 2]" 1
1948 1 38 TRP HZ2 1 91 VAL MG1 . . 4.430 3.381 3.171 3.478 . 0 0 "[ . 1 . 2]" 1
1949 1 38 TRP HD1 1 91 VAL MG1 . . 4.460 3.229 3.055 3.542 . 0 0 "[ . 1 . 2]" 1
1950 1 53 ILE HA 1 91 VAL MG1 . . 4.530 3.927 3.798 4.098 . 0 0 "[ . 1 . 2]" 1
1951 1 91 VAL HA 1 91 VAL MG1 . . 3.360 2.501 2.457 2.596 . 0 0 "[ . 1 . 2]" 1
1952 1 21 VAL HB 1 91 VAL MG1 . . 4.670 3.394 3.142 3.764 . 0 0 "[ . 1 . 2]" 1
1953 1 51 TYR HB3 1 91 VAL MG1 . . 3.900 3.069 2.782 3.294 . 0 0 "[ . 1 . 2]" 1
1954 1 53 ILE HG13 1 91 VAL MG1 . . 4.720 4.018 3.739 4.755 0.035 12 0 "[ . 1 . 2]" 1
1955 1 83 ALA H 1 83 ALA MB . . 2.900 2.067 1.978 2.173 . 0 0 "[ . 1 . 2]" 1
1956 1 83 ALA MB 1 84 LEU H . . 3.330 2.985 2.902 3.093 . 0 0 "[ . 1 . 2]" 1
1957 1 83 ALA MB 1 109 SER HG . . 4.260 3.828 3.726 3.966 . 0 0 "[ . 1 . 2]" 1
1958 1 31 ASP HA 1 83 ALA MB . . 3.770 3.513 3.001 3.817 0.047 10 0 "[ . 1 . 2]" 1
1959 1 83 ALA MB 1 112 PRO HD2 . . 3.300 3.381 3.321 3.443 0.143 2 0 "[ . 1 . 2]" 1
1960 1 31 ASP HB3 1 83 ALA MB . . 3.520 2.993 2.195 3.409 . 0 0 "[ . 1 . 2]" 1
1961 1 31 ASP HB2 1 83 ALA MB . . 3.110 1.952 1.865 2.229 . 0 0 "[ . 1 . 2]" 1
1962 1 83 ALA MB 1 112 PRO HG3 . . 3.540 1.822 1.774 2.057 . 0 0 "[ . 1 . 2]" 1
1963 1 83 ALA MB 1 112 PRO HB3 . . 4.180 2.816 2.599 2.963 . 0 0 "[ . 1 . 2]" 1
1964 1 83 ALA MB 1 84 LEU HB2 . . 3.980 3.674 3.615 3.768 . 0 0 "[ . 1 . 2]" 1
1965 1 83 ALA MB 1 84 LEU MD2 . . 4.370 3.760 3.592 4.224 . 0 0 "[ . 1 . 2]" 1
1966 1 83 ALA MB 1 111 VAL MG2 . . 4.550 4.196 4.116 4.255 . 0 0 "[ . 1 . 2]" 1
1967 1 31 ASP H 1 83 ALA MB . . 5.090 5.046 4.659 5.202 0.112 4 0 "[ . 1 . 2]" 1
1968 1 83 ALA MB 1 112 PRO HA . . 4.180 4.115 3.726 4.307 0.127 8 0 "[ . 1 . 2]" 1
1969 1 110 GLY H 1 111 VAL MG1 . . 5.160 5.054 4.864 5.139 . 0 0 "[ . 1 . 2]" 1
1970 1 111 VAL H 1 111 VAL MG1 . . 2.870 2.670 2.579 2.766 . 0 0 "[ . 1 . 2]" 1
1971 1 30 LEU HA 1 111 VAL MG1 . . 5.100 4.646 4.290 4.830 . 0 0 "[ . 1 . 2]" 1
1972 1 111 VAL MG1 1 112 PRO HA . . 5.050 4.466 4.365 4.512 . 0 0 "[ . 1 . 2]" 1
1973 1 111 VAL HA 1 111 VAL MG1 . . 3.460 3.218 3.216 3.221 . 0 0 "[ . 1 . 2]" 1
1974 1 110 GLY HA2 1 111 VAL MG1 . . 3.920 3.810 3.751 3.937 0.017 2 0 "[ . 1 . 2]" 1
1975 1 111 VAL MG1 1 113 PRO HD3 . . 4.700 4.502 4.448 4.534 . 0 0 "[ . 1 . 2]" 1
1976 1 110 GLY HA3 1 111 VAL MG1 . . 3.890 3.353 3.282 3.444 . 0 0 "[ . 1 . 2]" 1
1977 1 31 ASP HB3 1 111 VAL MG1 . . 5.200 4.790 4.570 4.942 . 0 0 "[ . 1 . 2]" 1
1978 1 111 VAL MG1 1 113 PRO HB3 . . 4.750 4.875 4.837 4.902 0.152 6 0 "[ . 1 . 2]" 1
1979 1 38 TRP HZ2 1 74 LEU QD . . 5.150 4.381 4.270 4.481 . 0 0 "[ . 1 . 2]" 1
1980 1 41 PRO HD2 1 44 LYS HG2 . . 4.990 2.894 2.519 3.417 . 0 0 "[ . 1 . 2]" 1
1981 1 38 TRP HZ2 1 73 THR HB . . 5.080 4.980 4.768 5.096 0.016 8 0 "[ . 1 . 2]" 1
1982 1 38 TRP HZ2 1 74 LEU HA . . 4.300 2.779 2.639 3.063 . 0 0 "[ . 1 . 2]" 1
1983 1 38 TRP HZ2 1 51 TYR HB3 . . 4.420 2.891 2.662 3.146 . 0 0 "[ . 1 . 2]" 1
1984 1 38 TRP HZ2 1 69 LEU QB . . 5.070 3.188 3.026 3.303 . 0 0 "[ . 1 . 2]" 1
1985 1 38 TRP HZ2 1 73 THR MG . . 4.380 3.558 3.427 3.704 . 0 0 "[ . 1 . 2]" 1
1986 1 41 PRO HD3 1 51 TYR QE . . 4.010 2.519 2.305 2.738 . 0 0 "[ . 1 . 2]" 1
1987 1 41 PRO HD2 1 51 TYR QE . . 4.130 3.470 3.169 3.804 . 0 0 "[ . 1 . 2]" 1
1988 1 85 THR MG 1 86 THR H . . 3.230 2.396 2.109 3.067 . 0 0 "[ . 1 . 2]" 1
1989 1 85 THR H 1 85 THR MG . . 3.810 3.782 3.651 3.838 0.028 10 0 "[ . 1 . 2]" 1
1990 1 85 THR MG 1 87 TYR QE . . 3.670 2.018 1.874 2.253 . 0 0 "[ . 1 . 2]" 1
1991 1 85 THR MG 1 109 SER HG . . 4.890 4.494 4.224 4.800 . 0 0 "[ . 1 . 2]" 1
1992 1 85 THR MG 1 108 SER HA . . 5.230 4.707 4.469 4.886 . 0 0 "[ . 1 . 2]" 1
1993 1 85 THR MG 1 87 TYR HA . . 5.040 4.185 3.904 4.345 . 0 0 "[ . 1 . 2]" 1
1994 1 85 THR MG 1 86 THR HA . . 4.620 3.903 3.794 4.213 . 0 0 "[ . 1 . 2]" 1
1995 1 85 THR HA 1 85 THR MG . . 3.090 2.569 2.445 2.680 . 0 0 "[ . 1 . 2]" 1
1996 1 57 GLU HA 1 85 THR MG . . 4.090 3.701 3.331 3.882 . 0 0 "[ . 1 . 2]" 1
1997 1 85 THR MG 1 86 THR HB . . 4.410 3.932 3.778 4.216 . 0 0 "[ . 1 . 2]" 1
1998 1 57 GLU QG 1 85 THR MG . . 3.450 2.466 2.127 2.849 . 0 0 "[ . 1 . 2]" 1
1999 1 81 LEU MD2 1 85 THR MG . . 5.130 5.056 4.190 5.205 0.075 6 0 "[ . 1 . 2]" 1
2000 1 31 ASP HB3 1 113 PRO HD3 . . 4.720 3.396 3.169 3.691 . 0 0 "[ . 1 . 2]" 1
2001 1 111 VAL H 1 112 PRO HD3 . . 5.000 4.263 4.207 4.336 . 0 0 "[ . 1 . 2]" 1
2002 1 31 ASP HB3 1 112 PRO HD3 . . 5.160 2.994 2.729 3.148 . 0 0 "[ . 1 . 2]" 1
2003 1 31 ASP HB3 1 113 PRO HD2 . . 4.540 4.006 3.886 4.227 . 0 0 "[ . 1 . 2]" 1
2004 1 112 PRO HB2 1 113 PRO HD2 . . 3.420 3.575 3.532 3.592 0.172 8 0 "[ . 1 . 2]" 1
2005 1 111 VAL HA 1 112 PRO HD3 . . 3.150 1.927 1.922 1.930 . 0 0 "[ . 1 . 2]" 1
2006 1 84 LEU HG 1 112 PRO HD3 . . 4.180 2.645 2.544 2.767 . 0 0 "[ . 1 . 2]" 1
2007 1 83 ALA MB 1 112 PRO HD3 . . 3.830 2.147 1.952 2.329 . 0 0 "[ . 1 . 2]" 1
2008 1 84 LEU MD1 1 112 PRO HD3 . . 3.930 3.916 3.659 3.963 0.033 9 0 "[ . 1 . 2]" 1
2009 1 84 LEU MD2 1 112 PRO HD3 . . 4.640 3.008 2.821 3.740 . 0 0 "[ . 1 . 2]" 1
2010 1 111 VAL HB 1 112 PRO HD2 . . 3.690 3.762 3.714 3.854 0.164 2 0 "[ . 1 . 2]" 1
2011 1 111 VAL MG2 1 112 PRO HD2 . . 4.180 1.750 1.728 1.780 . 0 0 "[ . 1 . 2]" 1
2012 1 84 LEU MD2 1 112 PRO HD2 . . 4.800 3.382 3.227 4.008 . 0 0 "[ . 1 . 2]" 1
2013 1 69 LEU HA 1 70 PRO HD2 . . 3.220 2.817 2.800 2.839 . 0 0 "[ . 1 . 2]" 1
2014 1 70 PRO HD2 1 73 THR HB . . 4.510 1.961 1.938 1.998 . 0 0 "[ . 1 . 2]" 1
2015 1 69 LEU QB 1 70 PRO HD2 . . 3.840 1.930 1.912 1.963 . 0 0 "[ . 1 . 2]" 1
2016 1 70 PRO HD2 1 73 THR MG . . 4.500 3.273 3.228 3.326 . 0 0 "[ . 1 . 2]" 1
2017 1 69 LEU H 1 70 PRO HD2 . . 5.250 4.939 4.918 4.947 . 0 0 "[ . 1 . 2]" 1
2018 1 69 LEU HA 1 70 PRO HD3 . . 3.390 2.053 2.042 2.067 . 0 0 "[ . 1 . 2]" 1
2019 1 70 PRO HD3 1 73 THR HB . . 4.220 3.683 3.665 3.701 . 0 0 "[ . 1 . 2]" 1
2020 1 69 LEU QB 1 70 PRO HD3 . . 3.490 2.767 2.719 2.810 . 0 0 "[ . 1 . 2]" 1
2021 1 18 PRO HD2 1 100 GLY H . . 4.920 2.693 2.545 2.985 . 0 0 "[ . 1 . 2]" 1
2022 1 70 PRO HD3 1 73 THR H . . 5.030 4.856 4.747 4.936 . 0 0 "[ . 1 . 2]" 1
2023 1 104 ALA HA 1 105 SER H . . 2.980 2.188 2.186 2.197 . 0 0 "[ . 1 . 2]" 1
2024 1 91 VAL H 1 104 ALA HA . . 4.320 3.544 3.384 3.732 . 0 0 "[ . 1 . 2]" 1
2025 1 90 GLU HA 1 104 ALA HA . . 3.410 1.994 1.866 2.195 . 0 0 "[ . 1 . 2]" 1
2026 1 104 ALA HA 1 105 SER HA . . 4.570 4.343 4.341 4.348 . 0 0 "[ . 1 . 2]" 1
2027 1 90 GLU HG3 1 104 ALA HA . . 4.490 2.857 2.738 3.066 . 0 0 "[ . 1 . 2]" 1
2028 1 89 ILE HB 1 104 ALA HA . . 5.190 4.799 4.715 4.851 . 0 0 "[ . 1 . 2]" 1
2029 1 90 GLU HB2 1 104 ALA HA . . 5.030 4.647 4.556 4.748 . 0 0 "[ . 1 . 2]" 1
2030 1 90 GLU HB3 1 104 ALA HA . . 4.990 3.849 3.681 4.370 . 0 0 "[ . 1 . 2]" 1
2031 1 18 PRO HD3 1 100 GLY H . . 4.480 4.279 4.136 4.605 0.125 20 0 "[ . 1 . 2]" 1
2032 1 18 PRO HD3 1 95 THR H . . 5.170 3.744 3.485 3.949 . 0 0 "[ . 1 . 2]" 1
2033 1 18 PRO HD3 1 100 GLY HA3 . . 4.390 3.922 3.774 4.062 . 0 0 "[ . 1 . 2]" 1
2034 1 17 VAL HB 1 18 PRO HD3 . . 3.790 2.935 2.886 2.957 . 0 0 "[ . 1 . 2]" 1
2035 1 55 TRP HE1 1 81 LEU MD2 . . 3.630 3.172 2.684 3.598 . 0 0 "[ . 1 . 2]" 1
2036 1 81 LEU H 1 81 LEU MD2 . . 3.710 3.388 3.121 3.702 . 0 0 "[ . 1 . 2]" 1
2037 1 81 LEU HA 1 81 LEU MD2 . . 3.140 2.439 2.268 2.669 . 0 0 "[ . 1 . 2]" 1
2038 1 81 LEU HB2 1 81 LEU MD2 . . 3.600 3.178 3.140 3.207 . 0 0 "[ . 1 . 2]" 1
2039 1 34 LEU HG 1 81 LEU MD2 . . 4.390 3.979 3.614 4.523 0.133 10 0 "[ . 1 . 2]" 1
2040 1 55 TRP HD1 1 81 LEU MD2 . . 3.590 2.513 1.843 2.827 . 0 0 "[ . 1 . 2]" 1
2041 1 33 SER HA 1 81 LEU MD2 . . 5.080 4.681 4.002 5.065 . 0 0 "[ . 1 . 2]" 1
2042 1 34 LEU QD 1 81 LEU MD2 . . 4.090 3.372 3.123 3.737 . 0 0 "[ . 1 . 2]" 1
2043 1 81 LEU MD2 1 87 TYR QE . . 3.960 2.626 2.106 3.020 . 0 0 "[ . 1 . 2]" 1
2044 1 29 ILE MG 1 109 SER H . . 5.050 4.409 4.106 4.542 . 0 0 "[ . 1 . 2]" 1
2045 1 29 ILE MG 1 108 SER H . . 4.390 5.110 4.896 5.376 0.986 2 20 [*+****************-*] 1
2046 1 29 ILE MG 1 33 SER H . . 5.110 4.062 3.828 4.179 . 0 0 "[ . 1 . 2]" 1
2047 1 29 ILE MG 1 30 LEU H . . 3.590 2.186 1.905 2.371 . 0 0 "[ . 1 . 2]" 1
2048 1 29 ILE MG 1 34 LEU H . . 4.820 4.800 4.647 4.898 0.078 3 0 "[ . 1 . 2]" 1
2049 1 29 ILE MG 1 110 GLY H . . 3.210 1.982 1.790 3.050 . 0 0 "[ . 1 . 2]" 1
2050 1 26 PHE QD 1 29 ILE MG . . 5.140 5.178 5.033 5.273 0.133 14 0 "[ . 1 . 2]" 1
2051 1 29 ILE MG 1 30 LEU HA . . 3.920 3.872 3.707 3.971 0.051 14 0 "[ . 1 . 2]" 1
2052 1 29 ILE MG 1 109 SER HA . . 2.970 2.418 2.095 2.760 . 0 0 "[ . 1 . 2]" 1
2053 1 29 ILE HA 1 29 ILE MG . . 3.210 2.356 2.290 2.389 . 0 0 "[ . 1 . 2]" 1
2054 1 29 ILE MG 1 110 GLY HA3 . . 3.610 3.004 2.001 3.236 . 0 0 "[ . 1 . 2]" 1
2055 1 72 VAL MG2 1 73 THR H . . 3.400 2.263 1.965 2.496 . 0 0 "[ . 1 . 2]" 1
2056 1 72 VAL H 1 72 VAL MG2 . . 2.710 2.194 1.944 2.284 . 0 0 "[ . 1 . 2]" 1
2057 1 72 VAL MG2 1 73 THR HG1 . . 4.970 2.813 1.996 3.612 . 0 0 "[ . 1 . 2]" 1
2058 1 72 VAL HA 1 72 VAL MG2 . . 3.370 3.203 3.194 3.218 . 0 0 "[ . 1 . 2]" 1
2059 1 70 PRO HD2 1 72 VAL MG2 . . 4.710 3.601 3.508 3.723 . 0 0 "[ . 1 . 2]" 1
2060 1 70 PRO HB3 1 72 VAL MG2 . . 3.500 3.370 3.256 3.505 0.005 1 0 "[ . 1 . 2]" 1
2061 1 70 PRO QG 1 72 VAL MG2 . . 2.910 1.921 1.863 1.962 . 0 0 "[ . 1 . 2]" 1
2062 1 17 VAL MG2 1 100 GLY H . . 4.310 4.339 4.265 4.398 0.088 6 0 "[ . 1 . 2]" 1
2063 1 16 ASP H 1 17 VAL MG2 . . 4.540 3.263 2.742 3.737 . 0 0 "[ . 1 . 2]" 1
2064 1 17 VAL H 1 17 VAL MG2 . . 2.880 1.879 1.807 1.959 . 0 0 "[ . 1 . 2]" 1
2065 1 17 VAL MG2 1 101 GLN H . . 3.900 3.899 3.475 3.986 0.086 16 0 "[ . 1 . 2]" 1
2066 1 17 VAL HA 1 17 VAL MG2 . . 3.620 3.186 3.179 3.190 . 0 0 "[ . 1 . 2]" 1
2067 1 17 VAL MG2 1 18 PRO HA . . 4.610 4.731 4.702 4.771 0.161 18 0 "[ . 1 . 2]" 1
2068 1 17 VAL MG2 1 100 GLY HA2 . . 3.220 2.019 1.953 2.179 . 0 0 "[ . 1 . 2]" 1
2069 1 17 VAL MG2 1 100 GLY HA3 . . 3.610 3.142 2.972 3.375 . 0 0 "[ . 1 . 2]" 1
2070 1 17 VAL MG2 1 18 PRO HD2 . . 4.290 3.618 3.573 3.638 . 0 0 "[ . 1 . 2]" 1
2071 1 17 VAL MG2 1 18 PRO HD3 . . 3.980 4.272 4.246 4.283 0.303 19 0 "[ . 1 . 2]" 1
2072 1 16 ASP HB2 1 17 VAL MG2 . . 4.640 4.577 4.323 4.755 0.115 9 0 "[ . 1 . 2]" 1
2073 1 15 GLU HB3 1 17 VAL MG2 . . 4.430 2.641 2.098 4.239 . 0 0 "[ . 1 . 2]" 1
2074 1 17 VAL MG2 1 18 PRO HG2 . . 5.250 5.333 5.286 5.354 0.104 19 0 "[ . 1 . 2]" 1
2075 1 87 TYR H 1 107 ILE MG . . 4.200 3.228 2.946 3.583 . 0 0 "[ . 1 . 2]" 1
2076 1 107 ILE MG 1 109 SER H . . 5.010 4.831 3.888 5.084 0.074 18 0 "[ . 1 . 2]" 1
2077 1 26 PHE HZ 1 107 ILE MG . . 3.970 2.798 2.353 3.271 . 0 0 "[ . 1 . 2]" 1
2078 1 107 ILE HA 1 107 ILE MG . . 3.720 3.196 3.185 3.213 . 0 0 "[ . 1 . 2]" 1
2079 1 105 SER QB 1 107 ILE MG . . 4.380 3.826 3.437 4.133 . 0 0 "[ . 1 . 2]" 1
2080 1 89 ILE HB 1 107 ILE MG . . 4.280 3.718 3.429 3.959 . 0 0 "[ . 1 . 2]" 1
2081 1 89 ILE QG 1 107 ILE MG . . 3.790 2.064 1.886 2.230 . 0 0 "[ . 1 . 2]" 1
2082 1 107 ILE H 1 107 ILE MG . . 3.350 2.274 2.129 2.416 . 0 0 "[ . 1 . 2]" 1
2083 1 107 ILE MG 1 108 SER H . . 4.200 4.149 3.972 4.225 0.025 7 0 "[ . 1 . 2]" 1
2084 1 26 PHE QD 1 107 ILE MG . . 4.010 3.200 3.040 3.549 . 0 0 "[ . 1 . 2]" 1
2085 1 26 PHE QE 1 107 ILE MG . . 3.820 2.425 2.018 2.992 . 0 0 "[ . 1 . 2]" 1
2086 1 106 THR HA 1 107 ILE MG . . 4.050 3.499 3.356 3.759 . 0 0 "[ . 1 . 2]" 1
2087 1 88 THR HA 1 107 ILE MG . . 4.880 3.351 3.174 3.938 . 0 0 "[ . 1 . 2]" 1
2088 1 26 PHE HB2 1 107 ILE MG . . 4.610 4.561 4.419 4.691 0.081 5 0 "[ . 1 . 2]" 1
2089 1 87 TYR HB3 1 107 ILE MG . . 4.140 3.195 2.986 3.457 . 0 0 "[ . 1 . 2]" 1
2090 1 87 TYR HB2 1 107 ILE MG . . 4.060 2.799 2.251 3.108 . 0 0 "[ . 1 . 2]" 1
2091 1 34 LEU HG 1 107 ILE MG . . 4.730 4.470 4.228 4.655 . 0 0 "[ . 1 . 2]" 1
2092 1 107 ILE QG 1 107 ILE MG . . 2.990 2.084 2.012 2.551 . 0 0 "[ . 1 . 2]" 1
2093 1 29 ILE MD 1 107 ILE MG . . 3.770 3.492 3.304 3.670 . 0 0 "[ . 1 . 2]" 1
2094 1 89 ILE MD 1 107 ILE MG . . 2.840 2.890 2.762 2.979 0.139 13 0 "[ . 1 . 2]" 1
2095 1 54 SER H 1 89 ILE MG . . 4.200 3.227 3.019 3.509 . 0 0 "[ . 1 . 2]" 1
2096 1 89 ILE MG 1 90 GLU H . . 3.200 2.838 2.709 2.996 . 0 0 "[ . 1 . 2]" 1
2097 1 89 ILE MG 1 91 VAL H . . 4.470 4.560 4.474 4.658 0.188 14 0 "[ . 1 . 2]" 1
2098 1 26 PHE QE 1 89 ILE MG . . 3.290 2.728 2.401 3.135 . 0 0 "[ . 1 . 2]" 1
2099 1 26 PHE HZ 1 89 ILE MG . . 3.820 3.805 3.509 3.931 0.111 3 0 "[ . 1 . 2]" 1
2100 1 55 TRP HA 1 89 ILE MG . . 4.320 3.040 2.636 3.667 . 0 0 "[ . 1 . 2]" 1
2101 1 89 ILE MG 1 104 ALA HA . . 4.750 5.004 4.867 5.100 0.350 10 0 "[ . 1 . 2]" 1
2102 1 53 ILE HA 1 89 ILE MG . . 4.860 4.300 3.999 4.542 . 0 0 "[ . 1 . 2]" 1
2103 1 89 ILE MG 1 90 GLU HA . . 4.320 4.192 4.022 4.299 . 0 0 "[ . 1 . 2]" 1
2104 1 89 ILE HA 1 89 ILE MG . . 3.270 2.273 2.164 2.375 . 0 0 "[ . 1 . 2]" 1
2105 1 55 TRP HB3 1 89 ILE MG . . 4.170 2.293 1.987 2.637 . 0 0 "[ . 1 . 2]" 1
2106 1 55 TRP HB2 1 89 ILE MG . . 4.310 3.380 3.033 3.731 . 0 0 "[ . 1 . 2]" 1
2107 1 36 VAL HB 1 89 ILE MG . . 4.330 3.288 3.169 3.439 . 0 0 "[ . 1 . 2]" 1
2108 1 89 ILE QG 1 89 ILE MG . . 3.210 2.273 2.130 2.412 . 0 0 "[ . 1 . 2]" 1
2109 1 53 ILE MD 1 89 ILE MG . . 3.280 2.479 2.305 2.663 . 0 0 "[ . 1 . 2]" 1
2110 1 89 ILE MG 1 91 VAL MG1 . . 4.780 4.769 4.667 4.853 0.073 12 0 "[ . 1 . 2]" 1
2111 1 16 ASP HA 1 17 VAL H . . 3.520 3.639 3.511 3.656 0.136 7 0 "[ . 1 . 2]" 1
2112 1 29 ILE MG 1 34 LEU HB3 . . 3.470 1.941 1.853 2.026 . 0 0 "[ . 1 . 2]" 1
2113 1 29 ILE HG12 1 29 ILE MG . . 3.410 2.673 2.597 2.728 . 0 0 "[ . 1 . 2]" 1
2114 1 29 ILE MG 1 107 ILE MG . . 4.660 4.303 4.057 4.468 . 0 0 "[ . 1 . 2]" 1
2115 1 30 LEU HB3 1 30 LEU QD . . 3.160 2.234 2.009 2.337 . 0 0 "[ . 1 . 2]" 1
2116 1 31 ASP HA 1 110 GLY H . . 3.600 3.485 2.634 3.689 0.089 1 0 "[ . 1 . 2]" 1
2117 1 30 LEU H 1 34 LEU HA . . 4.100 3.432 3.141 3.652 . 0 0 "[ . 1 . 2]" 1
2118 1 41 PRO HA 1 42 GLY HA3 . . 4.140 4.356 4.339 4.380 0.240 13 0 "[ . 1 . 2]" 1
2119 1 21 VAL HA 1 41 PRO HA . . 3.580 3.040 2.680 3.202 . 0 0 "[ . 1 . 2]" 1
2120 1 47 ILE MG 1 49 THR MG . . 3.390 3.126 2.773 3.553 0.163 16 0 "[ . 1 . 2]" 1
2121 1 47 ILE HB 1 47 ILE MD . . 3.090 3.101 2.160 3.210 0.120 12 0 "[ . 1 . 2]" 1
2122 1 48 LEU HA 1 95 THR MG . . 3.770 2.106 1.880 2.314 . 0 0 "[ . 1 . 2]" 1
2123 1 48 LEU HA 1 95 THR HA . . 4.190 2.447 2.068 2.838 . 0 0 "[ . 1 . 2]" 1
2124 1 48 LEU HA 1 49 THR H . . 3.520 2.238 2.185 2.344 . 0 0 "[ . 1 . 2]" 1
2125 1 49 THR HA 1 71 ASN HD22 . . 4.680 4.444 3.644 4.727 0.047 12 0 "[ . 1 . 2]" 1
2126 1 60 ARG H 1 60 ARG HG2 . . 4.340 4.044 3.504 4.655 0.315 10 0 "[ . 1 . 2]" 1
2127 1 60 ARG HB3 1 63 THR MG . . 3.450 2.654 1.972 3.334 . 0 0 "[ . 1 . 2]" 1
2128 1 60 ARG HB2 1 63 THR MG . . 3.300 2.806 1.962 3.490 0.190 5 0 "[ . 1 . 2]" 1
2129 1 57 GLU HB2 1 63 THR MG . . 3.660 2.997 2.398 3.523 . 0 0 "[ . 1 . 2]" 1
2130 1 56 GLU HA 1 64 ARG HA . . 4.030 2.889 2.307 3.472 . 0 0 "[ . 1 . 2]" 1
2131 1 56 GLU HB2 1 64 ARG HA . . 4.370 2.930 2.719 3.144 . 0 0 "[ . 1 . 2]" 1
2132 1 56 GLU HB3 1 64 ARG HA . . 4.150 2.172 1.958 2.527 . 0 0 "[ . 1 . 2]" 1
2133 1 55 TRP H 1 66 THR HA . . 4.760 5.279 4.895 5.490 0.730 7 10 "[ * . +*** * *. ** -]" 1
2134 1 65 VAL QG 1 66 THR HA . . 4.960 3.407 3.317 3.634 . 0 0 "[ . 1 . 2]" 1
2135 1 51 TYR H 1 68 TYR HA . . 4.780 4.422 4.014 4.778 . 0 0 "[ . 1 . 2]" 1
2136 1 53 ILE HB 1 69 LEU MD1 . . 3.930 2.786 2.484 3.007 . 0 0 "[ . 1 . 2]" 1
2137 1 70 PRO QG 1 71 ASN H . . 5.150 4.234 4.183 4.290 . 0 0 "[ . 1 . 2]" 1
2138 1 71 ASN HB3 1 72 VAL H . . 4.820 4.565 4.499 4.655 . 0 0 "[ . 1 . 2]" 1
2139 1 69 LEU MD1 1 76 TYR HA . . 4.450 4.135 3.973 4.233 . 0 0 "[ . 1 . 2]" 1
2140 1 79 THR HA 1 81 LEU HG . . 4.660 3.166 2.974 4.361 . 0 0 "[ . 1 . 2]" 1
2141 1 79 THR HA 1 81 LEU H . . 4.270 3.301 3.098 3.471 . 0 0 "[ . 1 . 2]" 1
2142 1 79 THR HA 1 80 GLY H . . 3.580 2.289 2.223 2.377 . 0 0 "[ . 1 . 2]" 1
2143 1 81 LEU HB2 1 87 TYR QE . . 5.010 3.799 3.444 4.795 . 0 0 "[ . 1 . 2]" 1
2144 1 82 THR MG 1 85 THR MG . . 3.940 3.076 2.813 3.329 . 0 0 "[ . 1 . 2]" 1
2145 1 84 LEU HB2 1 84 LEU MD1 . . 3.110 2.457 2.235 2.572 . 0 0 "[ . 1 . 2]" 1
2146 1 81 LEU MD1 1 89 ILE MD . . 3.950 3.482 2.856 3.900 . 0 0 "[ . 1 . 2]" 1
2147 1 36 VAL QG 1 89 ILE MD . . 3.050 3.245 2.953 4.024 0.974 17 2 "[ . 1 - + 2]" 1
2148 1 91 VAL MG1 1 92 ALA HA . . 4.310 3.641 3.440 3.759 . 0 0 "[ . 1 . 2]" 1
2149 1 21 VAL MG1 1 92 ALA HA . . 4.500 3.200 2.624 3.761 . 0 0 "[ . 1 . 2]" 1
2150 1 51 TYR HB3 1 93 ALA HA . . 4.990 3.703 3.553 3.894 . 0 0 "[ . 1 . 2]" 1
2151 1 92 ALA HA 1 102 VAL HA . . 4.530 2.279 2.100 2.494 . 0 0 "[ . 1 . 2]" 1
2152 1 51 TYR QE 1 93 ALA HA . . 4.580 3.452 3.176 3.791 . 0 0 "[ . 1 . 2]" 1
2153 1 51 TYR QD 1 93 ALA HA . . 4.590 1.985 1.952 2.052 . 0 0 "[ . 1 . 2]" 1
2154 1 93 ALA HA 1 94 MET H . . 3.530 2.405 2.214 2.519 . 0 0 "[ . 1 . 2]" 1
2155 1 92 ALA HA 1 93 ALA H . . 3.510 2.430 2.357 2.509 . 0 0 "[ . 1 . 2]" 1
2156 1 92 ALA MB 1 102 VAL HB . . 4.210 2.465 2.177 2.633 . 0 0 "[ . 1 . 2]" 1
2157 1 90 GLU HB2 1 102 VAL MG2 . . 3.760 2.935 2.811 3.054 . 0 0 "[ . 1 . 2]" 1
2158 1 90 GLU HB3 1 102 VAL MG2 . . 3.520 1.911 1.760 1.959 . 0 0 "[ . 1 . 2]" 1
2159 1 92 ALA MB 1 102 VAL MG2 . . 3.080 1.723 1.642 1.837 . 0 0 "[ . 1 . 2]" 1
2160 1 102 VAL MG1 1 104 ALA MB . . 3.140 2.787 2.641 3.083 . 0 0 "[ . 1 . 2]" 1
2161 1 90 GLU HB3 1 102 VAL MG1 . . 3.370 2.215 2.053 2.460 . 0 0 "[ . 1 . 2]" 1
2162 1 90 GLU HB2 1 102 VAL MG1 . . 3.980 3.697 3.529 3.782 . 0 0 "[ . 1 . 2]" 1
2163 1 102 VAL MG1 1 103 SER HA . . 4.160 3.691 3.556 3.839 . 0 0 "[ . 1 . 2]" 1
2164 1 103 SER HA 1 104 ALA HA . . 4.500 4.424 4.414 4.433 . 0 0 "[ . 1 . 2]" 1
2165 1 90 GLU H 1 104 ALA HA . . 4.220 4.162 4.012 4.232 0.012 6 0 "[ . 1 . 2]" 1
2166 1 89 ILE H 1 104 ALA MB . . 4.080 4.545 4.241 4.764 0.684 10 8 "[ * . ** + * -. * *]" 1
2167 1 105 SER HA 1 106 THR H . . 3.280 2.247 2.226 2.267 . 0 0 "[ . 1 . 2]" 1
2168 1 107 ILE H 1 107 ILE MD . . 4.680 4.443 4.114 4.510 . 0 0 "[ . 1 . 2]" 1
2169 1 26 PHE QD 1 89 ILE MD . . 3.790 5.168 4.756 5.396 1.606 2 20 [*+****************-*] 1
2170 1 26 PHE QE 1 107 ILE MD . . 3.980 3.626 3.387 3.907 . 0 0 "[ . 1 . 2]" 1
2171 1 34 LEU QD 1 107 ILE MD . . 3.760 3.427 1.603 3.656 . 0 0 "[ . 1 . 2]" 1
2172 1 107 ILE MD 1 107 ILE MG . . 3.460 3.153 1.804 3.250 . 0 0 "[ . 1 . 2]" 1
2173 1 107 ILE HB 1 107 ILE MD . . 3.140 2.191 2.081 3.139 . 0 0 "[ . 1 . 2]" 1
2174 1 112 PRO HA 1 113 PRO QG . . 3.730 3.816 3.815 3.816 0.086 5 0 "[ . 1 . 2]" 1
2175 1 31 ASP HB3 1 112 PRO HA . . 3.770 2.035 1.938 2.202 . 0 0 "[ . 1 . 2]" 1
2176 1 112 PRO HA 1 113 PRO HD2 . . 3.100 2.323 2.318 2.336 . 0 0 "[ . 1 . 2]" 1
2177 1 112 PRO HA 1 113 PRO HD3 . . 3.070 1.957 1.951 1.959 . 0 0 "[ . 1 . 2]" 1
2178 1 51 TYR HB2 1 52 ARG H . . 4.670 4.253 3.978 4.420 . 0 0 "[ . 1 . 2]" 1
2179 1 65 VAL QG 1 67 HIS HE1 . . 4.430 3.781 2.532 4.424 . 0 0 "[ . 1 . 2]" 1
2180 1 55 TRP HH2 1 67 HIS HE1 . . 4.750 4.694 4.354 4.820 0.070 6 0 "[ . 1 . 2]" 1
2181 1 103 SER H 1 103 SER HB2 . . 3.910 2.299 2.207 2.430 . 0 0 "[ . 1 . 2]" 1
2182 1 61 THR H 1 61 THR MG . . 4.700 3.696 3.671 3.730 . 0 0 "[ . 1 . 2]" 1
2183 1 21 VAL MG1 1 22 GLY H . . 4.290 3.437 3.325 3.576 . 0 0 "[ . 1 . 2]" 1
2184 1 22 GLY H 1 39 GLN HB3 . . 5.370 3.581 3.342 3.738 . 0 0 "[ . 1 . 2]" 1
2185 1 23 HIS HD2 1 39 GLN QG . . 5.110 4.006 3.366 4.763 . 0 0 "[ . 1 . 2]" 1
2186 1 23 HIS HD2 1 39 GLN HB2 . . 4.960 3.502 2.666 3.982 . 0 0 "[ . 1 . 2]" 1
2187 1 23 HIS HD2 1 39 GLN HB3 . . 5.390 5.003 4.156 5.445 0.055 17 0 "[ . 1 . 2]" 1
2188 1 23 HIS QB 1 39 GLN QE . . 5.440 7.130 5.090 8.117 2.677 11 18 "[****.- ***+*********]" 1
2189 1 22 GLY QA 1 23 HIS HD2 . . 5.110 3.842 3.084 4.219 . 0 0 "[ . 1 . 2]" 1
2190 1 23 HIS HD2 1 38 TRP HA . . 5.500 4.606 2.818 5.529 0.029 16 0 "[ . 1 . 2]" 1
2191 1 23 HIS H 1 23 HIS HD2 . . 5.430 2.503 1.945 3.332 . 0 0 "[ . 1 . 2]" 1
2192 1 23 HIS HA 1 24 LEU HA . . 5.120 4.349 4.302 4.416 . 0 0 "[ . 1 . 2]" 1
2193 1 23 HIS HA 1 24 LEU QD . . 5.100 3.750 3.369 4.264 . 0 0 "[ . 1 . 2]" 1
2194 1 23 HIS HA 1 24 LEU HB2 . . 4.980 4.187 4.132 4.289 . 0 0 "[ . 1 . 2]" 1
2195 1 21 VAL MG1 1 41 PRO HD2 . . 3.990 3.792 3.434 4.024 0.034 8 0 "[ . 1 . 2]" 1
2196 1 22 GLY QA 1 23 HIS QB . . 5.190 3.939 3.605 4.421 . 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 7
_Distance_constraint_stats_list.Viol_count 125
_Distance_constraint_stats_list.Viol_total 1184.977
_Distance_constraint_stats_list.Viol_max 1.006
_Distance_constraint_stats_list.Viol_rms 0.4065
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4232
_Distance_constraint_stats_list.Viol_average_violations_only 0.4740
_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 25 SER 17.643 0.924 4 20 [-**+****************]
1 26 PHE 20.018 0.924 4 20 [-**+****************]
1 27 SER 17.984 0.934 11 20 [**********+***-*****]
1 28 GLU 17.984 0.934 11 20 [**********+***-*****]
1 44 LYS 1.369 0.113 13 0 "[ . 1 . 2]"
1 45 ASN 1.369 0.113 13 0 "[ . 1 . 2]"
1 46 GLY 17.513 1.006 17 20 [***-************+***]
1 47 ILE 19.826 1.006 17 20 [***-************+***]
1 101 GLN 0.052 0.017 11 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 27 SER H 1 28 GLU H . . 3.500 4.399 4.296 4.434 0.934 11 20 [**********+***-*****] 2
2 1 25 SER H 1 26 PHE H . . 3.500 4.382 4.241 4.424 0.924 4 20 [-**+****************] 2
3 1 26 PHE H 1 26 PHE HA . . 2.800 2.919 2.884 2.937 0.137 1 0 "[ . 1 . 2]" 2
4 1 46 GLY H 1 47 ILE H . . 3.500 4.376 4.194 4.506 1.006 17 20 [***-************+***] 2
5 1 47 ILE H 1 47 ILE HA . . 2.800 2.916 2.843 2.938 0.138 9 0 "[ . 1 . 2]" 2
6 1 44 LYS HA 1 45 ASN H . . 3.500 3.568 3.542 3.613 0.113 13 0 "[ . 1 . 2]" 2
7 1 101 GLN H 1 101 GLN HA . . 2.700 2.663 2.204 2.717 0.017 11 0 "[ . 1 . 2]" 2
stop_
save_
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