NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439696 |
2k70   |
15897 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k70
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 1701
_Distance_constraint_stats_list.Viol_count 4981
_Distance_constraint_stats_list.Viol_total 16073.646
_Distance_constraint_stats_list.Viol_max 3.463
_Distance_constraint_stats_list.Viol_rms 0.0690
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0098
_Distance_constraint_stats_list.Viol_average_violations_only 0.1041
_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 2 SER 0.112 0.043 29 0 "[ . 1 . 2 . 3 ]"
1 3 PHE 0.424 0.054 1 0 "[ . 1 . 2 . 3 ]"
1 4 THR 0.412 0.056 25 0 "[ . 1 . 2 . 3 ]"
1 5 GLU 0.231 0.056 25 0 "[ . 1 . 2 . 3 ]"
1 6 GLY 0.009 0.009 9 0 "[ . 1 . 2 . 3 ]"
1 7 TRP 3.149 0.196 10 0 "[ . 1 . 2 . 3 ]"
1 8 VAL 0.177 0.136 16 0 "[ . 1 . 2 . 3 ]"
1 9 ARG 0.005 0.005 11 0 "[ . 1 . 2 . 3 ]"
1 10 PHE 49.298 3.463 24 28 "[*****-***1* *** *******+*******]"
1 11 SER 12.825 2.124 24 7 "[ . ** - * 2* +. * 3 ]"
1 12 PRO 32.296 0.618 2 12 "[ + * *** ** - 2 * * * * ]"
1 13 GLY 91.628 2.124 24 31 [****************-******+*******]
1 14 PRO 29.356 1.032 5 31 [****+**-***********************]
1 15 ASN 16.360 1.001 26 3 "[ . - 1 * . 2 .+ 3 ]"
1 16 ALA 54.630 3.463 24 25 "[*********1* * * -***** +* *****]"
1 17 ALA 3.508 0.401 30 0 "[ . 1 . 2 . 3 ]"
1 18 ALA 2.502 0.173 5 0 "[ . 1 . 2 . 3 ]"
1 19 TYR 3.606 0.173 5 0 "[ . 1 . 2 . 3 ]"
1 20 LEU 0.461 0.067 10 0 "[ . 1 . 2 . 3 ]"
1 21 THR 0.666 0.121 2 0 "[ . 1 . 2 . 3 ]"
1 22 LEU 2.432 0.157 18 0 "[ . 1 . 2 . 3 ]"
1 23 GLU 0.419 0.055 5 0 "[ . 1 . 2 . 3 ]"
1 24 ASN 4.237 0.105 14 0 "[ . 1 . 2 . 3 ]"
1 25 PRO 2.874 0.105 14 0 "[ . 1 . 2 . 3 ]"
1 26 GLY 1.916 0.094 29 0 "[ . 1 . 2 . 3 ]"
1 27 ASP 5.843 0.104 17 0 "[ . 1 . 2 . 3 ]"
1 28 LEU 4.138 0.096 3 0 "[ . 1 . 2 . 3 ]"
1 29 PRO 2.387 0.096 3 0 "[ . 1 . 2 . 3 ]"
1 30 LEU 7.783 0.187 23 0 "[ . 1 . 2 . 3 ]"
1 31 ARG 7.063 0.187 23 0 "[ . 1 . 2 . 3 ]"
1 32 LEU 4.632 0.133 4 0 "[ . 1 . 2 . 3 ]"
1 33 VAL 2.429 0.094 9 0 "[ . 1 . 2 . 3 ]"
1 34 GLY 6.043 0.144 30 0 "[ . 1 . 2 . 3 ]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 36 ARG 2.194 0.384 13 0 "[ . 1 . 2 . 3 ]"
1 37 THR 13.878 0.871 15 12 "[* ** **1* *-+* 2 * . 3*]"
1 38 PRO 6.096 0.264 17 0 "[ . 1 . 2 . 3 ]"
1 39 VAL 26.415 0.655 16 15 "[ -. * * *.+ **2*** * ****]"
1 40 ALA 51.990 1.354 31 26 "[ ***** ***-************ * ***+]"
1 41 GLU 26.188 1.423 27 13 "[* . * - **. ***** . + *3*]"
1 42 ARG 1.733 0.114 17 0 "[ . 1 . 2 . 3 ]"
1 43 VAL 15.741 0.871 15 12 "[* ** **1* *-+* 2 * . 3*]"
1 44 GLU 1.197 0.153 19 0 "[ . 1 . 2 . 3 ]"
1 45 LEU 4.111 0.134 17 0 "[ . 1 . 2 . 3 ]"
1 46 HIS 8.991 0.101 27 0 "[ . 1 . 2 . 3 ]"
1 47 GLU 3.390 0.097 26 0 "[ . 1 . 2 . 3 ]"
1 48 THR 8.379 0.208 9 0 "[ . 1 . 2 . 3 ]"
1 49 PHE 6.113 0.096 18 0 "[ . 1 . 2 . 3 ]"
1 50 MET 2.794 0.125 6 0 "[ . 1 . 2 . 3 ]"
1 51 ARG 3.094 0.096 18 0 "[ . 1 . 2 . 3 ]"
1 52 GLU 7.129 0.221 21 0 "[ . 1 . 2 . 3 ]"
1 53 VAL 0.659 0.123 18 0 "[ . 1 . 2 . 3 ]"
1 54 GLU 1.618 0.141 11 0 "[ . 1 . 2 . 3 ]"
1 55 GLY 1.062 0.105 3 0 "[ . 1 . 2 . 3 ]"
1 56 LYS 4.198 0.141 11 0 "[ . 1 . 2 . 3 ]"
1 57 LYS 4.935 0.125 15 0 "[ . 1 . 2 . 3 ]"
1 58 VAL 3.777 0.108 22 0 "[ . 1 . 2 . 3 ]"
1 59 MET 0.917 0.052 12 0 "[ . 1 . 2 . 3 ]"
1 60 GLY 0.754 0.071 11 0 "[ . 1 . 2 . 3 ]"
1 61 MET 6.220 0.212 29 0 "[ . 1 . 2 . 3 ]"
1 62 ARG 3.178 0.212 29 0 "[ . 1 . 2 . 3 ]"
1 63 PRO 1.735 0.079 22 0 "[ . 1 . 2 . 3 ]"
1 64 VAL 0.820 0.134 17 0 "[ . 1 . 2 . 3 ]"
1 65 PRO 2.254 0.049 4 0 "[ . 1 . 2 . 3 ]"
1 66 PHE 6.589 0.094 9 0 "[ . 1 . 2 . 3 ]"
1 67 LEU 4.890 0.073 23 0 "[ . 1 . 2 . 3 ]"
1 68 GLU 4.741 0.205 17 0 "[ . 1 . 2 . 3 ]"
1 69 VAL 3.453 0.205 17 0 "[ . 1 . 2 . 3 ]"
1 70 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 71 PRO 0.646 0.039 31 0 "[ . 1 . 2 . 3 ]"
1 72 LYS 3.412 0.147 3 0 "[ . 1 . 2 . 3 ]"
1 73 GLY 3.261 0.147 3 0 "[ . 1 . 2 . 3 ]"
1 74 ARG 7.336 0.174 10 0 "[ . 1 . 2 . 3 ]"
1 75 VAL 0.937 0.082 22 0 "[ . 1 . 2 . 3 ]"
1 76 GLU 2.959 0.157 18 0 "[ . 1 . 2 . 3 ]"
1 77 LEU 2.367 0.107 18 0 "[ . 1 . 2 . 3 ]"
1 78 LYS 1.324 0.113 21 0 "[ . 1 . 2 . 3 ]"
1 79 PRO 0.011 0.011 15 0 "[ . 1 . 2 . 3 ]"
1 80 GLY 0.151 0.048 30 0 "[ . 1 . 2 . 3 ]"
1 81 GLY 8.023 0.208 9 0 "[ . 1 . 2 . 3 ]"
1 82 TYR 5.698 0.144 16 0 "[ . 1 . 2 . 3 ]"
1 83 HIS 5.403 0.109 27 0 "[ . 1 . 2 . 3 ]"
1 84 PHE 2.651 0.083 20 0 "[ . 1 . 2 . 3 ]"
1 85 MET 4.650 0.106 22 0 "[ . 1 . 2 . 3 ]"
1 86 LEU 2.754 0.401 30 0 "[ . 1 . 2 . 3 ]"
1 87 LEU 3.530 1.001 26 3 "[ . - 1 * . 2 .+ 3 ]"
1 88 GLY 11.099 1.423 27 4 "[ . 1 . *- 2* . + 3 ]"
1 89 LEU 53.376 1.715 17 20 "[ * *.* -** ***+* ** *** * ***]"
1 90 LYS 89.189 1.354 31 27 "[*** *****-***** ********** **+]"
1 91 ARG 36.087 1.099 16 13 "[ * .* *1 * *+ ***- *.* *3 ]"
1 92 PRO 1.235 0.356 29 0 "[ . 1 . 2 . 3 ]"
1 93 LEU 9.246 1.099 16 9 "[ * . 1** *+ ** . * -3 ]"
1 94 LYS 8.700 0.730 23 1 "[ . 1 . 2 + . 3 ]"
1 95 ALA 19.332 1.121 15 10 "[***** -* 1 + 2 * * 3 ]"
1 96 GLY 0.497 0.057 16 0 "[ . 1 . 2 . 3 ]"
1 97 GLU 6.371 0.385 21 0 "[ . 1 . 2 . 3 ]"
1 98 GLU 5.757 0.200 11 0 "[ . 1 . 2 . 3 ]"
1 99 VAL 15.549 0.612 23 7 "[ ** * - 1 * . 2 + . * 3 ]"
1 100 GLU 11.922 0.612 23 7 "[ ** * - 1 * . 2 + . * 3 ]"
1 101 LEU 3.228 0.155 10 0 "[ . 1 . 2 . 3 ]"
1 102 ASP 1.856 0.086 3 0 "[ . 1 . 2 . 3 ]"
1 103 LEU 1.182 0.102 1 0 "[ . 1 . 2 . 3 ]"
1 104 LEU 4.323 0.100 7 0 "[ . 1 . 2 . 3 ]"
1 105 PHE 5.800 0.133 4 0 "[ . 1 . 2 . 3 ]"
1 106 ALA 0.051 0.017 10 0 "[ . 1 . 2 . 3 ]"
1 108 GLY 0.031 0.017 10 0 "[ . 1 . 2 . 3 ]"
1 109 LYS 3.975 0.185 20 0 "[ . 1 . 2 . 3 ]"
1 110 VAL 3.153 0.097 15 0 "[ . 1 . 2 . 3 ]"
1 111 LEU 0.490 0.058 15 0 "[ . 1 . 2 . 3 ]"
1 112 LYS 0.293 0.058 15 0 "[ . 1 . 2 . 3 ]"
1 113 VAL 1.697 0.109 10 0 "[ . 1 . 2 . 3 ]"
1 114 VAL 0.774 0.101 10 0 "[ . 1 . 2 . 3 ]"
1 115 LEU 0.924 0.136 16 0 "[ . 1 . 2 . 3 ]"
1 116 PRO 0.699 0.082 22 0 "[ . 1 . 2 . 3 ]"
1 117 VAL 11.651 1.121 15 9 "[****. -* 1 + 2 * * 3 ]"
1 118 GLU 1.734 0.636 5 1 "[ + 1 . 2 . 3 ]"
1 119 ALA 1.953 0.656 20 2 "[ . 1- . + . 3 ]"
1 120 ARG 2.289 0.656 20 2 "[ . 1- . + . 3 ]"
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 86 LEU H 1 86 LEU MD2 . . 4.710 4.127 3.953 4.145 . 0 0 "[ . 1 . 2 . 3 ]" 1
2 1 78 LYS H 1 82 TYR H . . 4.900 4.109 2.984 4.953 0.053 16 0 "[ . 1 . 2 . 3 ]" 1
3 1 9 ARG H 1 18 ALA HA . . 5.030 2.878 2.459 3.698 . 0 0 "[ . 1 . 2 . 3 ]" 1
4 1 9 ARG H 1 9 ARG QG . . 4.150 3.875 2.158 4.147 . 0 0 "[ . 1 . 2 . 3 ]" 1
5 1 22 LEU H 1 22 LEU MD2 . . 4.720 3.997 2.820 4.744 0.024 15 0 "[ . 1 . 2 . 3 ]" 1
6 1 21 THR HB 1 22 LEU H . . 5.320 4.062 3.525 4.505 . 0 0 "[ . 1 . 2 . 3 ]" 1
7 1 112 LYS H 1 112 LYS QE . . 5.500 4.937 4.370 5.523 0.023 4 0 "[ . 1 . 2 . 3 ]" 1
8 1 112 LYS H 1 112 LYS HB3 . . 4.080 2.956 2.392 3.852 . 0 0 "[ . 1 . 2 . 3 ]" 1
9 1 111 LEU MD2 1 112 LYS H . . 5.020 3.798 1.854 4.963 . 0 0 "[ . 1 . 2 . 3 ]" 1
10 1 100 GLU HA 1 101 LEU H . . 3.320 2.194 2.099 2.271 . 0 0 "[ . 1 . 2 . 3 ]" 1
11 1 117 VAL MG1 1 118 GLU H . . 4.990 2.768 2.289 3.699 . 0 0 "[ . 1 . 2 . 3 ]" 1
12 1 101 LEU H 1 113 VAL HB . . 4.980 4.536 3.943 4.987 0.007 5 0 "[ . 1 . 2 . 3 ]" 1
13 1 68 GLU HG3 1 69 VAL H . . 4.370 2.438 2.040 2.739 . 0 0 "[ . 1 . 2 . 3 ]" 1
14 1 68 GLU HG2 1 69 VAL H . . 4.370 3.876 2.965 4.339 . 0 0 "[ . 1 . 2 . 3 ]" 1
15 1 114 VAL HB 1 115 LEU H . . 4.800 4.046 3.702 4.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
16 1 115 LEU H 1 115 LEU HG . . 4.980 3.276 2.277 4.754 . 0 0 "[ . 1 . 2 . 3 ]" 1
17 1 53 VAL H 1 53 VAL HB . . 3.870 3.237 2.657 3.910 0.040 20 0 "[ . 1 . 2 . 3 ]" 1
18 1 37 THR HG1 1 100 GLU H . . 5.240 4.042 3.211 4.929 . 0 0 "[ . 1 . 2 . 3 ]" 1
19 1 39 VAL MG1 1 100 GLU H . . 5.500 4.907 4.181 5.523 0.023 4 0 "[ . 1 . 2 . 3 ]" 1
20 1 67 LEU HB3 1 68 GLU H . . 3.990 2.608 2.530 2.677 . 0 0 "[ . 1 . 2 . 3 ]" 1
21 1 75 VAL HB 1 76 GLU H . . 5.130 4.243 3.655 4.549 . 0 0 "[ . 1 . 2 . 3 ]" 1
22 1 59 MET H 1 60 GLY H . . 4.590 4.480 4.325 4.606 0.016 16 0 "[ . 1 . 2 . 3 ]" 1
23 1 59 MET H 1 59 MET HB3 . . 4.090 3.762 3.596 3.896 . 0 0 "[ . 1 . 2 . 3 ]" 1
24 1 59 MET H 1 59 MET HB2 . . 4.090 2.591 2.369 2.822 . 0 0 "[ . 1 . 2 . 3 ]" 1
25 1 84 PHE HB3 1 85 MET H . . 4.360 2.985 2.735 3.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
26 1 85 MET H 1 85 MET HG3 . . 5.500 4.527 3.130 4.681 . 0 0 "[ . 1 . 2 . 3 ]" 1
27 1 105 PHE HB2 1 106 ALA H . . 4.590 4.081 3.715 4.462 . 0 0 "[ . 1 . 2 . 3 ]" 1
28 1 33 VAL MG1 1 106 ALA H . . 4.980 2.696 2.264 3.139 . 0 0 "[ . 1 . 2 . 3 ]" 1
29 1 33 VAL MG2 1 106 ALA H . . 5.030 3.163 2.369 3.713 . 0 0 "[ . 1 . 2 . 3 ]" 1
30 1 95 ALA H 1 96 GLY H . . 4.430 4.419 4.354 4.462 0.032 30 0 "[ . 1 . 2 . 3 ]" 1
31 1 31 ARG H 1 105 PHE HB3 . . 5.500 3.255 2.779 3.568 . 0 0 "[ . 1 . 2 . 3 ]" 1
32 1 46 HIS H 1 64 VAL MG2 . . 5.500 3.739 3.507 3.983 . 0 0 "[ . 1 . 2 . 3 ]" 1
33 1 46 HIS H 1 83 HIS HD2 . . 5.500 4.778 4.394 5.067 . 0 0 "[ . 1 . 2 . 3 ]" 1
34 1 37 THR HG1 1 102 ASP H . . 5.500 5.131 4.777 5.533 0.033 4 0 "[ . 1 . 2 . 3 ]" 1
35 1 105 PHE QD 1 110 VAL H . . 5.500 4.625 3.960 5.139 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 110 VAL H 1 111 LEU H . . 4.740 4.403 4.258 4.633 . 0 0 "[ . 1 . 2 . 3 ]" 1
37 1 103 LEU H 1 111 LEU H . . 4.280 2.785 2.603 3.007 . 0 0 "[ . 1 . 2 . 3 ]" 1
38 1 103 LEU H 1 112 LYS HA . . 3.770 3.302 2.770 3.789 0.019 1 0 "[ . 1 . 2 . 3 ]" 1
39 1 58 VAL H 1 59 MET QG . . 5.500 4.942 4.413 5.510 0.010 10 0 "[ . 1 . 2 . 3 ]" 1
40 1 51 ARG H 1 59 MET HA . . 4.250 3.116 2.797 3.396 . 0 0 "[ . 1 . 2 . 3 ]" 1
41 1 51 ARG H 1 51 ARG HB2 . . 4.140 2.944 2.503 3.915 . 0 0 "[ . 1 . 2 . 3 ]" 1
42 1 58 VAL H 1 58 VAL HB . . 3.640 3.294 2.489 3.739 0.099 8 0 "[ . 1 . 2 . 3 ]" 1
43 1 89 LEU H 1 89 LEU QB . . 3.160 2.705 2.551 2.900 . 0 0 "[ . 1 . 2 . 3 ]" 1
44 1 98 GLU QB 1 99 VAL H . . 3.800 2.946 2.111 3.805 0.005 19 0 "[ . 1 . 2 . 3 ]" 1
45 1 51 ARG QD 1 52 GLU H . . 5.350 3.545 1.911 5.271 . 0 0 "[ . 1 . 2 . 3 ]" 1
46 1 30 LEU H 1 71 PRO HD3 . . 5.500 4.452 4.127 4.606 . 0 0 "[ . 1 . 2 . 3 ]" 1
47 1 24 ASN HD22 1 30 LEU H . . 4.480 2.958 2.532 3.557 . 0 0 "[ . 1 . 2 . 3 ]" 1
48 1 24 ASN HD21 1 30 LEU H . . 4.430 2.843 2.240 4.492 0.062 2 0 "[ . 1 . 2 . 3 ]" 1
49 1 30 LEU H 1 68 GLU HA . . 5.500 5.257 4.829 5.532 0.032 3 0 "[ . 1 . 2 . 3 ]" 1
50 1 52 GLU H 1 53 VAL H . . 5.500 4.453 4.154 4.566 . 0 0 "[ . 1 . 2 . 3 ]" 1
51 1 114 VAL H 1 115 LEU H . . 5.320 4.380 3.939 4.588 . 0 0 "[ . 1 . 2 . 3 ]" 1
52 1 113 VAL HA 1 114 VAL H . . 3.040 2.439 2.149 2.829 . 0 0 "[ . 1 . 2 . 3 ]" 1
53 1 113 VAL H 1 114 VAL H . . 4.960 4.453 4.363 4.624 . 0 0 "[ . 1 . 2 . 3 ]" 1
54 1 52 GLU HA 1 57 LYS H . . 5.410 4.442 4.042 5.018 . 0 0 "[ . 1 . 2 . 3 ]" 1
55 1 57 LYS H 1 57 LYS QD . . 4.070 3.212 1.595 4.110 0.040 27 0 "[ . 1 . 2 . 3 ]" 1
56 1 90 LYS H 1 90 LYS QD . . 3.660 3.432 2.518 3.873 0.213 9 0 "[ . 1 . 2 . 3 ]" 1
57 1 39 VAL H 1 40 ALA H . . 3.450 2.987 2.652 3.245 . 0 0 "[ . 1 . 2 . 3 ]" 1
58 1 117 VAL H 1 117 VAL MG2 . . 4.090 2.536 2.161 2.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
59 1 99 VAL MG2 1 117 VAL H . . 5.270 4.538 4.003 5.219 . 0 0 "[ . 1 . 2 . 3 ]" 1
60 1 4 THR HA 1 5 GLU H . . 3.520 2.671 2.114 3.500 . 0 0 "[ . 1 . 2 . 3 ]" 1
61 1 4 THR HB 1 5 GLU H . . 4.490 4.067 2.483 4.546 0.056 25 0 "[ . 1 . 2 . 3 ]" 1
62 1 4 THR MG 1 5 GLU H . . 5.500 3.953 2.954 4.445 . 0 0 "[ . 1 . 2 . 3 ]" 1
63 1 93 LEU HA 1 94 LYS H . . 3.170 2.174 1.912 2.616 . 0 0 "[ . 1 . 2 . 3 ]" 1
64 1 103 LEU H 1 104 LEU H . . 5.330 4.455 4.189 4.638 . 0 0 "[ . 1 . 2 . 3 ]" 1
65 1 34 GLY HA2 1 104 LEU H . . 5.190 4.779 4.669 4.867 . 0 0 "[ . 1 . 2 . 3 ]" 1
66 1 104 LEU H 1 104 LEU HB3 . . 3.640 3.658 3.598 3.684 0.044 21 0 "[ . 1 . 2 . 3 ]" 1
67 1 109 LYS H 1 110 VAL H . . 4.890 4.395 4.203 4.544 . 0 0 "[ . 1 . 2 . 3 ]" 1
68 1 108 GLY H 1 109 LYS H . . 3.810 2.871 2.397 3.502 . 0 0 "[ . 1 . 2 . 3 ]" 1
69 1 105 PHE HB3 1 109 LYS H . . 4.730 4.656 4.110 4.766 0.036 25 0 "[ . 1 . 2 . 3 ]" 1
70 1 109 LYS H 1 109 LYS HB2 . . 3.840 2.504 2.165 2.913 . 0 0 "[ . 1 . 2 . 3 ]" 1
71 1 109 LYS H 1 109 LYS HG3 . . 4.590 3.492 2.824 4.444 . 0 0 "[ . 1 . 2 . 3 ]" 1
72 1 109 LYS H 1 109 LYS HG2 . . 4.590 4.441 4.053 4.775 0.185 20 0 "[ . 1 . 2 . 3 ]" 1
73 1 93 LEU QD 1 94 LYS H . . 4.850 3.884 3.192 4.428 . 0 0 "[ . 1 . 2 . 3 ]" 1
74 1 52 GLU HA 1 56 LYS H . . 4.080 4.022 3.703 4.140 0.060 11 0 "[ . 1 . 2 . 3 ]" 1
75 1 56 LYS H 1 56 LYS QE . . 5.180 4.298 2.439 5.178 . 0 0 "[ . 1 . 2 . 3 ]" 1
76 1 56 LYS H 1 56 LYS HB3 . . 3.950 3.762 3.456 3.901 . 0 0 "[ . 1 . 2 . 3 ]" 1
77 1 26 GLY H 1 72 LYS H . . 4.680 3.776 2.977 4.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
78 1 24 ASN HB3 1 72 LYS H . . 5.020 3.053 2.516 3.616 . 0 0 "[ . 1 . 2 . 3 ]" 1
79 1 72 LYS H 1 72 LYS QE . . 5.500 4.005 3.281 4.758 . 0 0 "[ . 1 . 2 . 3 ]" 1
80 1 72 LYS H 1 72 LYS HG2 . . 4.700 3.197 2.312 4.666 . 0 0 "[ . 1 . 2 . 3 ]" 1
81 1 7 TRP H 1 19 TYR H . . 4.730 3.491 2.986 4.049 . 0 0 "[ . 1 . 2 . 3 ]" 1
82 1 8 VAL MG2 1 19 TYR H . . 5.500 3.941 3.108 4.933 . 0 0 "[ . 1 . 2 . 3 ]" 1
83 1 23 GLU HA 1 75 VAL H . . 4.960 3.338 2.238 3.943 . 0 0 "[ . 1 . 2 . 3 ]" 1
84 1 24 ASN HD21 1 72 LYS H . . 5.200 4.014 2.494 4.560 . 0 0 "[ . 1 . 2 . 3 ]" 1
85 1 26 GLY HA2 1 28 LEU H . . 4.620 3.995 3.129 4.375 . 0 0 "[ . 1 . 2 . 3 ]" 1
86 1 27 ASP HB2 1 28 LEU H . . 4.380 3.557 3.354 4.103 . 0 0 "[ . 1 . 2 . 3 ]" 1
87 1 28 LEU H 1 28 LEU HB2 . . 3.830 3.621 2.589 3.889 0.059 31 0 "[ . 1 . 2 . 3 ]" 1
88 1 8 VAL H 1 118 GLU H . . 5.340 3.553 2.914 4.006 . 0 0 "[ . 1 . 2 . 3 ]" 1
89 1 7 TRP HB3 1 8 VAL H . . 5.150 3.892 3.477 4.171 . 0 0 "[ . 1 . 2 . 3 ]" 1
90 1 7 TRP HB2 1 8 VAL H . . 4.520 2.627 2.020 4.200 . 0 0 "[ . 1 . 2 . 3 ]" 1
91 1 8 VAL H 1 115 LEU HB2 . . 5.500 4.150 3.435 5.636 0.136 16 0 "[ . 1 . 2 . 3 ]" 1
92 1 8 VAL H 1 117 VAL MG2 . . 5.350 3.798 3.176 5.137 . 0 0 "[ . 1 . 2 . 3 ]" 1
93 1 50 MET H 1 50 MET HG3 . . 4.530 3.826 2.735 4.567 0.037 7 0 "[ . 1 . 2 . 3 ]" 1
94 1 43 VAL H 1 43 VAL HB . . 3.330 3.149 2.491 3.432 0.102 7 0 "[ . 1 . 2 . 3 ]" 1
95 1 97 GLU H 1 97 GLU HG2 . . 3.940 3.536 1.903 4.032 0.092 21 0 "[ . 1 . 2 . 3 ]" 1
96 1 97 GLU H 1 117 VAL MG1 . . 4.520 3.765 3.426 4.272 . 0 0 "[ . 1 . 2 . 3 ]" 1
97 1 50 MET H 1 50 MET HB3 . . 3.720 3.081 2.393 3.740 0.020 24 0 "[ . 1 . 2 . 3 ]" 1
98 1 48 THR H 1 82 TYR H . . 5.500 4.383 3.768 4.918 . 0 0 "[ . 1 . 2 . 3 ]" 1
99 1 48 THR H 1 81 GLY HA3 . . 3.790 3.900 3.801 3.998 0.208 9 0 "[ . 1 . 2 . 3 ]" 1
100 1 48 THR H 1 48 THR HB . . 3.420 2.751 2.419 3.072 . 0 0 "[ . 1 . 2 . 3 ]" 1
101 1 47 GLU HB2 1 48 THR H . . 4.170 2.505 2.157 3.027 . 0 0 "[ . 1 . 2 . 3 ]" 1
102 1 47 GLU HB3 1 48 THR H . . 4.170 3.882 3.648 4.175 0.005 25 0 "[ . 1 . 2 . 3 ]" 1
103 1 7 TRP H 1 7 TRP HE3 . . 5.460 2.983 2.184 5.017 . 0 0 "[ . 1 . 2 . 3 ]" 1
104 1 35 ALA H 1 43 VAL MG2 . . 4.540 3.916 3.089 4.396 . 0 0 "[ . 1 . 2 . 3 ]" 1
105 1 17 ALA MB 1 18 ALA H . . 4.110 2.765 2.422 3.112 . 0 0 "[ . 1 . 2 . 3 ]" 1
106 1 35 ALA H 1 104 LEU HG . . 4.950 3.464 3.284 3.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
107 1 20 LEU MD1 1 21 THR H . . 4.880 3.531 2.231 4.740 . 0 0 "[ . 1 . 2 . 3 ]" 1
108 1 20 LEU MD2 1 21 THR H . . 5.370 4.387 2.329 5.046 . 0 0 "[ . 1 . 2 . 3 ]" 1
109 1 20 LEU HB3 1 21 THR H . . 5.070 3.825 3.436 4.252 . 0 0 "[ . 1 . 2 . 3 ]" 1
110 1 67 LEU H 1 67 LEU MD1 . . 5.140 4.199 4.057 4.334 . 0 0 "[ . 1 . 2 . 3 ]" 1
111 1 33 VAL MG1 1 67 LEU H . . 5.240 4.370 4.194 4.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
112 1 98 GLU H 1 99 VAL MG2 . . 5.050 3.295 2.896 4.106 . 0 0 "[ . 1 . 2 . 3 ]" 1
113 1 46 HIS HA 1 62 ARG H . . 5.150 4.415 4.122 4.655 . 0 0 "[ . 1 . 2 . 3 ]" 1
114 1 62 ARG H 1 62 ARG HG3 . . 4.400 3.781 2.824 4.437 0.037 14 0 "[ . 1 . 2 . 3 ]" 1
115 1 48 THR HA 1 62 ARG H . . 5.190 3.843 3.519 4.037 . 0 0 "[ . 1 . 2 . 3 ]" 1
116 1 62 ARG H 1 63 PRO QD . . 5.500 4.395 4.345 4.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
117 1 61 MET HB2 1 62 ARG H . . 4.320 3.918 2.975 4.076 . 0 0 "[ . 1 . 2 . 3 ]" 1
118 1 33 VAL H 1 105 PHE HA . . 4.170 2.879 2.597 3.255 . 0 0 "[ . 1 . 2 . 3 ]" 1
119 1 23 GLU HB3 1 24 ASN H . . 4.470 3.569 2.514 4.249 . 0 0 "[ . 1 . 2 . 3 ]" 1
120 1 84 PHE H 1 84 PHE HB3 . . 4.030 3.640 3.583 3.719 . 0 0 "[ . 1 . 2 . 3 ]" 1
121 1 74 ARG H 1 75 VAL H . . 4.890 4.387 4.134 4.574 . 0 0 "[ . 1 . 2 . 3 ]" 1
122 1 22 LEU MD1 1 24 ASN H . . 5.500 4.561 3.588 5.554 0.054 29 0 "[ . 1 . 2 . 3 ]" 1
123 1 64 VAL H 1 64 VAL MG1 . . 4.390 3.263 3.075 3.755 . 0 0 "[ . 1 . 2 . 3 ]" 1
124 1 74 ARG H 1 74 ARG HG3 . . 4.270 3.245 2.163 4.367 0.097 14 0 "[ . 1 . 2 . 3 ]" 1
125 1 47 GLU H 1 62 ARG H . . 4.110 3.005 2.865 3.225 . 0 0 "[ . 1 . 2 . 3 ]" 1
126 1 63 PRO HB3 1 64 VAL H . . 4.490 3.748 3.556 3.964 . 0 0 "[ . 1 . 2 . 3 ]" 1
127 1 20 LEU H 1 77 LEU MD1 . . 5.500 3.638 2.773 4.371 . 0 0 "[ . 1 . 2 . 3 ]" 1
128 1 20 LEU H 1 77 LEU H . . 5.130 3.706 2.820 4.829 . 0 0 "[ . 1 . 2 . 3 ]" 1
129 1 3 PHE HA 1 4 THR H . . 3.460 2.659 2.026 3.514 0.054 1 0 "[ . 1 . 2 . 3 ]" 1
130 1 61 MET H 1 61 MET HG2 . . 4.870 4.203 2.864 4.334 . 0 0 "[ . 1 . 2 . 3 ]" 1
131 1 91 ARG H 1 91 ARG HB2 . . 3.660 3.012 2.454 4.019 0.359 4 0 "[ . 1 . 2 . 3 ]" 1
132 1 36 ARG H 1 36 ARG QD . . 5.490 4.897 4.467 5.472 . 0 0 "[ . 1 . 2 . 3 ]" 1
133 1 36 ARG H 1 101 LEU MD1 . . 5.500 4.820 3.044 5.539 0.039 8 0 "[ . 1 . 2 . 3 ]" 1
134 1 36 ARG H 1 103 LEU HA . . 5.430 4.087 3.684 4.452 . 0 0 "[ . 1 . 2 . 3 ]" 1
135 1 36 ARG H 1 36 ARG QG . . 4.140 3.893 2.839 4.206 0.066 5 0 "[ . 1 . 2 . 3 ]" 1
136 1 35 ALA MB 1 36 ARG H . . 3.880 2.110 1.983 2.189 . 0 0 "[ . 1 . 2 . 3 ]" 1
137 1 40 ALA MB 1 42 ARG H . . 4.100 3.010 2.375 4.079 . 0 0 "[ . 1 . 2 . 3 ]" 1
138 1 42 ARG H 1 87 LEU QD . . 5.500 4.454 3.497 5.037 . 0 0 "[ . 1 . 2 . 3 ]" 1
139 1 27 ASP H 1 28 LEU HG . . 4.840 3.748 3.210 4.889 0.049 31 0 "[ . 1 . 2 . 3 ]" 1
140 1 24 ASN HD22 1 69 VAL MG1 . . 5.500 4.778 4.074 5.320 . 0 0 "[ . 1 . 2 . 3 ]" 1
141 1 24 ASN HD21 1 69 VAL MG1 . . 5.500 3.437 2.610 5.055 . 0 0 "[ . 1 . 2 . 3 ]" 1
142 1 96 GLY H 1 117 VAL MG1 . . 4.720 3.863 3.037 4.726 0.006 15 0 "[ . 1 . 2 . 3 ]" 1
143 1 96 GLY H 1 117 VAL HB . . 4.310 3.465 2.263 4.333 0.023 15 0 "[ . 1 . 2 . 3 ]" 1
144 1 49 PHE H 1 60 GLY H . . 3.770 2.879 2.743 3.157 . 0 0 "[ . 1 . 2 . 3 ]" 1
145 1 59 MET HB2 1 60 GLY H . . 4.850 3.873 3.543 4.233 . 0 0 "[ . 1 . 2 . 3 ]" 1
146 1 59 MET HB3 1 60 GLY H . . 4.850 2.632 2.216 3.177 . 0 0 "[ . 1 . 2 . 3 ]" 1
147 1 48 THR MG 1 60 GLY H . . 5.060 3.694 3.369 4.240 . 0 0 "[ . 1 . 2 . 3 ]" 1
148 1 87 LEU H 1 88 GLY H . . 5.030 4.419 4.261 4.516 . 0 0 "[ . 1 . 2 . 3 ]" 1
149 1 87 LEU QD 1 88 GLY H . . 4.680 3.735 2.518 4.203 . 0 0 "[ . 1 . 2 . 3 ]" 1
150 1 45 LEU HA 1 83 HIS H . . 5.500 4.921 4.351 5.258 . 0 0 "[ . 1 . 2 . 3 ]" 1
151 1 46 HIS HB3 1 83 HIS H . . 5.500 4.551 4.374 4.773 . 0 0 "[ . 1 . 2 . 3 ]" 1
152 1 82 TYR H 1 83 HIS H . . 5.500 4.529 4.258 4.658 . 0 0 "[ . 1 . 2 . 3 ]" 1
153 1 45 LEU HG 1 83 HIS H . . 5.440 5.215 4.525 5.531 0.091 18 0 "[ . 1 . 2 . 3 ]" 1
154 1 81 GLY H 1 82 TYR H . . 4.710 3.213 1.945 4.225 . 0 0 "[ . 1 . 2 . 3 ]" 1
155 1 78 LYS HG3 1 81 GLY H . . 4.770 3.892 2.601 4.795 0.025 27 0 "[ . 1 . 2 . 3 ]" 1
156 1 37 THR HG1 1 39 VAL H . . 4.440 3.014 2.743 3.324 . 0 0 "[ . 1 . 2 . 3 ]" 1
157 1 39 VAL H 1 39 VAL MG2 . . 3.640 2.226 2.060 2.361 . 0 0 "[ . 1 . 2 . 3 ]" 1
158 1 65 PRO HD3 1 66 PHE H . . 3.730 3.769 3.742 3.779 0.049 4 0 "[ . 1 . 2 . 3 ]" 1
159 1 65 PRO HB2 1 66 PHE H . . 4.660 3.665 3.546 3.744 . 0 0 "[ . 1 . 2 . 3 ]" 1
160 1 64 VAL HB 1 66 PHE H . . 3.380 3.102 2.567 3.313 . 0 0 "[ . 1 . 2 . 3 ]" 1
161 1 64 VAL MG1 1 66 PHE H . . 4.770 4.589 3.922 4.799 0.029 28 0 "[ . 1 . 2 . 3 ]" 1
162 1 64 VAL MG2 1 66 PHE H . . 4.390 3.306 2.936 4.313 . 0 0 "[ . 1 . 2 . 3 ]" 1
163 1 26 GLY H 1 27 ASP H . . 4.390 4.402 3.652 4.477 0.087 16 0 "[ . 1 . 2 . 3 ]" 1
164 1 24 ASN HB3 1 26 GLY H . . 5.500 4.379 3.971 5.025 . 0 0 "[ . 1 . 2 . 3 ]" 1
165 1 25 PRO QG 1 26 GLY H . . 4.540 2.963 2.564 3.208 . 0 0 "[ . 1 . 2 . 3 ]" 1
166 1 72 LYS H 1 73 GLY H . . 3.550 2.864 2.757 3.005 . 0 0 "[ . 1 . 2 . 3 ]" 1
167 1 69 VAL MG1 1 73 GLY H . . 4.980 3.703 3.316 4.225 . 0 0 "[ . 1 . 2 . 3 ]" 1
168 1 72 LYS HG3 1 73 GLY H . . 5.500 5.463 4.544 5.598 0.098 16 0 "[ . 1 . 2 . 3 ]" 1
169 1 32 LEU HB3 1 34 GLY H . . 5.320 5.210 4.845 5.361 0.041 24 0 "[ . 1 . 2 . 3 ]" 1
170 1 34 GLY H 1 104 LEU HG . . 5.400 4.639 4.479 4.781 . 0 0 "[ . 1 . 2 . 3 ]" 1
171 1 33 VAL MG1 1 34 GLY H . . 5.470 4.146 4.080 4.236 . 0 0 "[ . 1 . 2 . 3 ]" 1
172 1 24 ASN HB3 1 73 GLY H . . 4.200 2.839 2.579 3.049 . 0 0 "[ . 1 . 2 . 3 ]" 1
173 1 72 LYS HB3 1 73 GLY H . . 4.650 4.314 3.950 4.441 . 0 0 "[ . 1 . 2 . 3 ]" 1
174 1 24 ASN HD21 1 73 GLY H . . 5.400 4.328 3.204 5.165 . 0 0 "[ . 1 . 2 . 3 ]" 1
175 1 106 ALA MB 1 108 GLY H . . 5.500 4.517 3.216 5.517 0.017 10 0 "[ . 1 . 2 . 3 ]" 1
176 1 52 GLU HA 1 55 GLY H . . 5.410 4.913 4.463 5.424 0.014 8 0 "[ . 1 . 2 . 3 ]" 1
177 1 7 TRP HD1 1 8 VAL H . . 5.500 3.611 2.569 4.370 . 0 0 "[ . 1 . 2 . 3 ]" 1
178 1 22 LEU MD1 1 23 GLU H . . 4.590 2.407 1.695 3.767 . 0 0 "[ . 1 . 2 . 3 ]" 1
179 1 74 ARG H 1 75 VAL MG2 . . 4.690 4.023 2.898 4.742 0.052 30 0 "[ . 1 . 2 . 3 ]" 1
180 1 26 GLY HA3 1 28 LEU H . . 4.620 3.194 2.866 4.714 0.094 29 0 "[ . 1 . 2 . 3 ]" 1
181 1 28 LEU H 1 29 PRO HD3 . . 4.970 4.905 4.795 4.983 0.013 20 0 "[ . 1 . 2 . 3 ]" 1
182 1 28 LEU H 1 71 PRO HB3 . . 4.590 2.884 2.688 3.299 . 0 0 "[ . 1 . 2 . 3 ]" 1
183 1 30 LEU H 1 69 VAL MG2 . . 5.060 4.899 4.513 5.081 0.021 18 0 "[ . 1 . 2 . 3 ]" 1
184 1 29 PRO HG2 1 30 LEU H . . 4.810 4.694 4.288 4.881 0.071 31 0 "[ . 1 . 2 . 3 ]" 1
185 1 30 LEU HG 1 31 ARG H . . 4.310 4.221 3.066 4.480 0.170 1 0 "[ . 1 . 2 . 3 ]" 1
186 1 31 ARG HB3 1 32 LEU H . . 5.340 4.317 4.177 4.450 . 0 0 "[ . 1 . 2 . 3 ]" 1
187 1 31 ARG HB2 1 32 LEU H . . 5.340 4.431 4.363 4.509 . 0 0 "[ . 1 . 2 . 3 ]" 1
188 1 32 LEU H 1 33 VAL MG1 . . 5.500 4.275 4.026 4.522 . 0 0 "[ . 1 . 2 . 3 ]" 1
189 1 32 LEU H 1 32 LEU HG . . 4.980 4.441 4.290 4.603 . 0 0 "[ . 1 . 2 . 3 ]" 1
190 1 32 LEU HG 1 33 VAL H . . 5.120 3.805 2.795 5.150 0.030 31 0 "[ . 1 . 2 . 3 ]" 1
191 1 32 LEU HB2 1 33 VAL H . . 4.930 4.396 4.284 4.462 . 0 0 "[ . 1 . 2 . 3 ]" 1
192 1 36 ARG H 1 102 ASP HB3 . . 4.640 3.841 2.728 4.647 0.007 2 0 "[ . 1 . 2 . 3 ]" 1
193 1 36 ARG H 1 102 ASP H . . 4.070 2.759 2.429 3.045 . 0 0 "[ . 1 . 2 . 3 ]" 1
194 1 38 PRO HB3 1 39 VAL H . . 4.320 4.402 4.369 4.429 0.109 17 0 "[ . 1 . 2 . 3 ]" 1
195 1 40 ALA HA 1 42 ARG H . . 4.480 4.082 3.661 4.518 0.038 4 0 "[ . 1 . 2 . 3 ]" 1
196 1 42 ARG H 1 42 ARG HG3 . . 4.600 3.522 2.787 4.636 0.036 26 0 "[ . 1 . 2 . 3 ]" 1
197 1 47 GLU H 1 64 VAL MG2 . . 5.500 3.195 2.365 3.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
198 1 45 LEU HG 1 47 GLU H . . 5.500 5.483 5.138 5.568 0.068 27 0 "[ . 1 . 2 . 3 ]" 1
199 1 46 HIS H 1 47 GLU H . . 4.850 4.439 4.361 4.508 . 0 0 "[ . 1 . 2 . 3 ]" 1
200 1 62 ARG H 1 62 ARG HG2 . . 4.400 3.743 2.535 4.422 0.022 5 0 "[ . 1 . 2 . 3 ]" 1
201 1 22 LEU H 1 76 GLU HA . . 4.410 2.728 2.032 3.513 . 0 0 "[ . 1 . 2 . 3 ]" 1
202 1 22 LEU H 1 76 GLU HG2 . . 5.500 4.813 2.549 5.657 0.157 18 0 "[ . 1 . 2 . 3 ]" 1
203 1 22 LEU H 1 76 GLU HG3 . . 5.500 4.619 3.123 5.585 0.085 27 0 "[ . 1 . 2 . 3 ]" 1
204 1 98 GLU H 1 98 GLU QB . . 3.560 3.042 2.580 3.322 . 0 0 "[ . 1 . 2 . 3 ]" 1
205 1 23 GLU HB2 1 24 ASN H . . 4.470 3.569 2.262 4.393 . 0 0 "[ . 1 . 2 . 3 ]" 1
206 1 32 LEU H 1 32 LEU MD2 . . 5.500 4.150 3.820 4.332 . 0 0 "[ . 1 . 2 . 3 ]" 1
207 1 32 LEU H 1 32 LEU MD1 . . 5.500 4.229 3.877 4.451 . 0 0 "[ . 1 . 2 . 3 ]" 1
208 1 46 HIS H 1 84 PHE HA . . 4.900 2.985 2.640 3.428 . 0 0 "[ . 1 . 2 . 3 ]" 1
209 1 57 LYS H 1 57 LYS HG3 . . 3.970 3.105 1.932 4.023 0.053 16 0 "[ . 1 . 2 . 3 ]" 1
210 1 52 GLU HA 1 58 VAL H . . 4.120 3.255 2.961 3.646 . 0 0 "[ . 1 . 2 . 3 ]" 1
211 1 49 PHE QD 1 60 GLY H . . 5.290 3.622 3.102 4.197 . 0 0 "[ . 1 . 2 . 3 ]" 1
212 1 66 PHE H 1 67 LEU MD2 . . 5.500 4.067 3.877 4.269 . 0 0 "[ . 1 . 2 . 3 ]" 1
213 1 45 LEU MD2 1 66 PHE H . . 5.500 3.251 2.867 3.899 . 0 0 "[ . 1 . 2 . 3 ]" 1
214 1 72 LYS HG2 1 73 GLY H . . 5.500 4.675 4.288 5.642 0.142 13 0 "[ . 1 . 2 . 3 ]" 1
215 1 72 LYS QD 1 73 GLY H . . 5.500 4.763 4.263 5.647 0.147 3 0 "[ . 1 . 2 . 3 ]" 1
216 1 76 GLU HB3 1 77 LEU H . . 4.890 3.352 2.503 4.313 . 0 0 "[ . 1 . 2 . 3 ]" 1
217 1 78 LYS QD 1 81 GLY H . . 5.500 4.953 3.391 5.505 0.005 9 0 "[ . 1 . 2 . 3 ]" 1
218 1 45 LEU MD1 1 83 HIS H . . 5.500 3.957 3.290 4.774 . 0 0 "[ . 1 . 2 . 3 ]" 1
219 1 87 LEU HB3 1 88 GLY H . . 4.460 3.131 2.601 4.195 . 0 0 "[ . 1 . 2 . 3 ]" 1
220 1 94 LYS H 1 94 LYS QG . . 3.510 2.748 1.975 3.681 0.171 23 0 "[ . 1 . 2 . 3 ]" 1
221 1 94 LYS H 1 94 LYS QD . . 4.040 3.510 2.013 4.101 0.061 10 0 "[ . 1 . 2 . 3 ]" 1
222 1 94 LYS QG 1 95 ALA H . . 4.180 3.906 3.243 4.271 0.091 20 0 "[ . 1 . 2 . 3 ]" 1
223 1 97 GLU H 1 97 GLU HG3 . . 3.940 3.153 2.186 3.978 0.038 7 0 "[ . 1 . 2 . 3 ]" 1
224 1 22 LEU H 1 75 VAL H . . 4.440 3.330 2.896 3.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
225 1 24 ASN HB2 1 72 LYS H . . 5.060 4.670 4.252 5.084 0.024 15 0 "[ . 1 . 2 . 3 ]" 1
226 1 25 PRO HA 1 72 LYS H . . 4.050 4.080 4.054 4.110 0.060 29 0 "[ . 1 . 2 . 3 ]" 1
227 1 31 ARG HA 1 69 VAL H . . 4.190 3.428 3.102 3.723 . 0 0 "[ . 1 . 2 . 3 ]" 1
228 1 33 VAL HA 1 67 LEU H . . 4.380 3.738 3.621 3.912 . 0 0 "[ . 1 . 2 . 3 ]" 1
229 1 29 PRO HD2 1 30 LEU H . . 5.500 5.466 5.060 5.546 0.046 10 0 "[ . 1 . 2 . 3 ]" 1
230 1 104 LEU HB2 1 105 PHE H . . 4.800 4.374 4.242 4.465 . 0 0 "[ . 1 . 2 . 3 ]" 1
231 1 103 LEU HG 1 104 LEU H . . 4.840 4.312 4.003 4.596 . 0 0 "[ . 1 . 2 . 3 ]" 1
232 1 104 LEU H 1 104 LEU HG . . 3.770 2.703 2.477 2.861 . 0 0 "[ . 1 . 2 . 3 ]" 1
233 1 110 VAL H 1 110 VAL MG2 . . 4.490 3.427 2.511 4.077 . 0 0 "[ . 1 . 2 . 3 ]" 1
234 1 109 LYS HG2 1 110 VAL H . . 4.620 4.066 2.817 4.689 0.069 12 0 "[ . 1 . 2 . 3 ]" 1
235 1 109 LYS HG3 1 110 VAL H . . 4.620 4.348 2.958 4.683 0.063 18 0 "[ . 1 . 2 . 3 ]" 1
236 1 110 VAL MG1 1 111 LEU H . . 4.930 3.091 2.230 4.057 . 0 0 "[ . 1 . 2 . 3 ]" 1
237 1 112 LYS HG2 1 113 VAL H . . 4.880 3.987 2.698 4.908 0.028 13 0 "[ . 1 . 2 . 3 ]" 1
238 1 112 LYS HG3 1 113 VAL H . . 4.880 3.580 2.356 4.901 0.021 9 0 "[ . 1 . 2 . 3 ]" 1
239 1 112 LYS HB3 1 113 VAL H . . 4.620 3.850 2.363 4.366 . 0 0 "[ . 1 . 2 . 3 ]" 1
240 1 103 LEU H 1 103 LEU MD1 . . 4.690 2.496 2.109 2.771 . 0 0 "[ . 1 . 2 . 3 ]" 1
241 1 103 LEU H 1 103 LEU MD2 . . 4.690 4.156 3.330 4.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
242 1 100 GLU H 1 100 GLU QG . . 4.700 2.620 2.048 4.071 . 0 0 "[ . 1 . 2 . 3 ]" 1
243 1 100 GLU QB 1 101 LEU H . . 4.480 2.831 2.402 3.742 . 0 0 "[ . 1 . 2 . 3 ]" 1
244 1 100 GLU QG 1 101 LEU H . . 5.230 3.785 2.230 4.384 . 0 0 "[ . 1 . 2 . 3 ]" 1
245 1 101 LEU HB2 1 102 ASP H . . 4.460 4.089 2.547 4.387 . 0 0 "[ . 1 . 2 . 3 ]" 1
246 1 101 LEU H 1 102 ASP H . . 5.080 4.287 4.151 4.419 . 0 0 "[ . 1 . 2 . 3 ]" 1
247 1 62 ARG H 1 62 ARG HE . . 5.500 4.767 3.985 5.548 0.048 26 0 "[ . 1 . 2 . 3 ]" 1
248 1 51 ARG H 1 58 VAL H . . 3.880 3.212 2.964 3.504 . 0 0 "[ . 1 . 2 . 3 ]" 1
249 1 51 ARG H 1 52 GLU H . . 4.610 4.411 4.306 4.488 . 0 0 "[ . 1 . 2 . 3 ]" 1
250 1 51 ARG H 1 51 ARG QD . . 5.500 4.789 4.036 5.381 . 0 0 "[ . 1 . 2 . 3 ]" 1
251 1 76 GLU H 1 77 LEU H . . 4.940 4.473 4.091 4.713 . 0 0 "[ . 1 . 2 . 3 ]" 1
252 1 44 GLU H 1 86 LEU HA . . 4.300 3.906 3.763 4.069 . 0 0 "[ . 1 . 2 . 3 ]" 1
253 1 44 GLU H 1 44 GLU HG2 . . 5.500 4.384 2.214 4.890 . 0 0 "[ . 1 . 2 . 3 ]" 1
254 1 44 GLU H 1 44 GLU HG3 . . 5.500 3.742 2.987 4.904 . 0 0 "[ . 1 . 2 . 3 ]" 1
255 1 97 GLU H 1 98 GLU H . . 4.470 4.428 4.280 4.525 0.055 16 0 "[ . 1 . 2 . 3 ]" 1
256 1 7 TRP H 1 8 VAL MG2 . . 5.500 4.816 4.160 5.526 0.026 23 0 "[ . 1 . 2 . 3 ]" 1
257 1 117 VAL H 1 118 GLU H . . 5.500 4.440 3.616 4.666 . 0 0 "[ . 1 . 2 . 3 ]" 1
258 1 40 ALA HA 1 89 LEU H . . 3.530 3.557 2.459 3.631 0.101 24 0 "[ . 1 . 2 . 3 ]" 1
259 1 37 THR HB 1 39 VAL H . . 4.670 4.127 3.823 4.374 . 0 0 "[ . 1 . 2 . 3 ]" 1
260 1 21 THR H 1 21 THR HB . . 3.600 2.666 2.289 3.560 . 0 0 "[ . 1 . 2 . 3 ]" 1
261 1 48 THR HB 1 81 GLY HA3 . . 3.610 3.696 3.643 3.746 0.136 28 0 "[ . 1 . 2 . 3 ]" 1
262 1 38 PRO HA 1 39 VAL MG2 . . 5.060 5.041 4.901 5.104 0.044 15 0 "[ . 1 . 2 . 3 ]" 1
263 1 71 PRO HA 1 73 GLY H . . 3.800 3.430 3.250 3.811 0.011 18 0 "[ . 1 . 2 . 3 ]" 1
264 1 24 ASN HD22 1 71 PRO HA . . 3.920 2.624 2.316 3.028 . 0 0 "[ . 1 . 2 . 3 ]" 1
265 1 24 ASN HD21 1 71 PRO HA . . 4.080 2.638 2.340 3.000 . 0 0 "[ . 1 . 2 . 3 ]" 1
266 1 25 PRO HA 1 72 LYS HA . . 3.700 3.374 2.940 3.719 0.019 21 0 "[ . 1 . 2 . 3 ]" 1
267 1 25 PRO HA 1 72 LYS QD . . 4.640 3.467 2.821 4.674 0.034 3 0 "[ . 1 . 2 . 3 ]" 1
268 1 29 PRO HA 1 71 PRO HG3 . . 4.400 4.405 4.164 4.436 0.036 23 0 "[ . 1 . 2 . 3 ]" 1
269 1 24 ASN HD22 1 29 PRO HA . . 4.160 2.517 2.228 3.130 . 0 0 "[ . 1 . 2 . 3 ]" 1
270 1 63 PRO HA 1 64 VAL MG1 . . 5.500 3.818 3.515 4.688 . 0 0 "[ . 1 . 2 . 3 ]" 1
271 1 48 THR HA 1 60 GLY H . . 4.940 4.664 4.491 4.887 . 0 0 "[ . 1 . 2 . 3 ]" 1
272 1 48 THR HA 1 61 MET HB2 . . 4.520 3.113 2.976 3.835 . 0 0 "[ . 1 . 2 . 3 ]" 1
273 1 21 THR HA 1 76 GLU HA . . 3.700 2.218 1.930 2.952 . 0 0 "[ . 1 . 2 . 3 ]" 1
274 1 21 THR HA 1 77 LEU H . . 4.090 3.360 2.796 3.948 . 0 0 "[ . 1 . 2 . 3 ]" 1
275 1 21 THR HA 1 22 LEU H . . 3.230 2.146 2.003 2.258 . 0 0 "[ . 1 . 2 . 3 ]" 1
276 1 48 THR HA 1 61 MET HB3 . . 4.520 4.501 2.472 4.607 0.087 28 0 "[ . 1 . 2 . 3 ]" 1
277 1 99 VAL MG2 1 116 PRO HA . . 5.040 4.992 4.381 5.075 0.035 30 0 "[ . 1 . 2 . 3 ]" 1
278 1 116 PRO HA 1 117 VAL MG2 . . 4.520 3.672 3.439 3.929 . 0 0 "[ . 1 . 2 . 3 ]" 1
279 1 53 VAL HA 1 53 VAL MG1 . . 3.550 2.481 2.150 3.301 . 0 0 "[ . 1 . 2 . 3 ]" 1
280 1 8 VAL H 1 117 VAL HA . . 4.740 2.610 2.118 3.670 . 0 0 "[ . 1 . 2 . 3 ]" 1
281 1 8 VAL HB 1 117 VAL HA . . 4.240 2.669 2.242 3.344 . 0 0 "[ . 1 . 2 . 3 ]" 1
282 1 33 VAL HA 1 66 PHE HB3 . . 4.090 2.405 2.329 2.488 . 0 0 "[ . 1 . 2 . 3 ]" 1
283 1 75 VAL HA 1 76 GLU H . . 3.130 2.317 2.185 2.674 . 0 0 "[ . 1 . 2 . 3 ]" 1
284 1 99 VAL HA 1 100 GLU H . . 2.810 2.170 2.075 2.392 . 0 0 "[ . 1 . 2 . 3 ]" 1
285 1 104 LEU HA 1 110 VAL HA . . 4.680 3.062 2.797 3.408 . 0 0 "[ . 1 . 2 . 3 ]" 1
286 1 110 VAL HA 1 111 LEU H . . 3.070 2.232 2.158 2.323 . 0 0 "[ . 1 . 2 . 3 ]" 1
287 1 105 PHE H 1 110 VAL HA . . 4.190 3.319 2.582 3.892 . 0 0 "[ . 1 . 2 . 3 ]" 1
288 1 58 VAL HA 1 59 MET H . . 2.750 2.461 2.176 2.670 . 0 0 "[ . 1 . 2 . 3 ]" 1
289 1 8 VAL HA 1 19 TYR H . . 4.280 3.092 2.523 3.964 . 0 0 "[ . 1 . 2 . 3 ]" 1
290 1 43 VAL HA 1 44 GLU H . . 3.080 2.224 2.003 2.466 . 0 0 "[ . 1 . 2 . 3 ]" 1
291 1 43 VAL HA 1 86 LEU HA . . 3.680 2.609 2.536 2.680 . 0 0 "[ . 1 . 2 . 3 ]" 1
292 1 47 GLU HB3 1 82 TYR HA . . 4.780 4.261 3.708 4.802 0.022 16 0 "[ . 1 . 2 . 3 ]" 1
293 1 45 LEU MD1 1 82 TYR HA . . 5.500 5.066 4.554 5.523 0.023 12 0 "[ . 1 . 2 . 3 ]" 1
294 1 7 TRP HA 1 116 PRO HG3 . . 5.140 4.686 4.383 5.175 0.035 16 0 "[ . 1 . 2 . 3 ]" 1
295 1 7 TRP HA 1 115 LEU HB2 . . 5.480 3.325 2.123 4.515 . 0 0 "[ . 1 . 2 . 3 ]" 1
296 1 7 TRP HA 1 8 VAL MG2 . . 5.460 3.683 3.276 4.602 . 0 0 "[ . 1 . 2 . 3 ]" 1
297 1 2 SER HA 1 3 PHE QD . . 4.450 3.861 2.953 4.493 0.043 29 0 "[ . 1 . 2 . 3 ]" 1
298 1 37 THR HA 1 39 VAL H . . 4.460 3.911 3.759 4.049 . 0 0 "[ . 1 . 2 . 3 ]" 1
299 1 37 THR HA 1 37 THR HG1 . . 4.070 2.732 2.507 2.962 . 0 0 "[ . 1 . 2 . 3 ]" 1
300 1 7 TRP HA 1 116 PRO HG2 . . 5.140 3.136 2.692 4.148 . 0 0 "[ . 1 . 2 . 3 ]" 1
301 1 37 THR HA 1 99 VAL MG1 . . 5.500 4.575 3.873 5.227 . 0 0 "[ . 1 . 2 . 3 ]" 1
302 1 109 LYS HA 1 110 VAL HA . . 4.460 4.444 4.349 4.494 0.034 20 0 "[ . 1 . 2 . 3 ]" 1
303 1 109 LYS HA 1 109 LYS HG2 . . 3.890 2.833 2.373 3.547 . 0 0 "[ . 1 . 2 . 3 ]" 1
304 1 105 PHE HA 1 106 ALA H . . 3.180 2.200 2.096 2.351 . 0 0 "[ . 1 . 2 . 3 ]" 1
305 1 32 LEU HA 1 105 PHE HA . . 3.360 2.473 2.328 2.684 . 0 0 "[ . 1 . 2 . 3 ]" 1
306 1 68 GLU HA 1 68 GLU HG3 . . 4.220 2.807 2.452 3.062 . 0 0 "[ . 1 . 2 . 3 ]" 1
307 1 66 PHE HA 1 67 LEU H . . 3.000 2.374 2.319 2.469 . 0 0 "[ . 1 . 2 . 3 ]" 1
308 1 83 HIS HA 1 83 HIS HB3 . . 2.400 2.414 2.385 2.428 0.028 14 0 "[ . 1 . 2 . 3 ]" 1
309 1 97 GLU HA 1 98 GLU H . . 2.890 2.677 2.415 2.806 . 0 0 "[ . 1 . 2 . 3 ]" 1
310 1 32 LEU HA 1 33 VAL H . . 3.060 2.160 2.093 2.202 . 0 0 "[ . 1 . 2 . 3 ]" 1
311 1 74 ARG HA 1 75 VAL H . . 3.130 2.196 2.070 2.296 . 0 0 "[ . 1 . 2 . 3 ]" 1
312 1 23 GLU HA 1 74 ARG HA . . 3.310 2.284 1.997 2.590 . 0 0 "[ . 1 . 2 . 3 ]" 1
313 1 73 GLY HA3 1 74 ARG HA . . 4.920 4.446 4.127 4.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
314 1 73 GLY HA2 1 74 ARG HA . . 4.920 4.525 4.380 4.619 . 0 0 "[ . 1 . 2 . 3 ]" 1
315 1 74 ARG HA 1 75 VAL MG2 . . 4.640 3.585 3.116 4.178 . 0 0 "[ . 1 . 2 . 3 ]" 1
316 1 36 ARG HA 1 37 THR MG . . 4.890 3.351 3.009 3.832 . 0 0 "[ . 1 . 2 . 3 ]" 1
317 1 36 ARG HA 1 37 THR H . . 3.060 2.499 2.293 2.678 . 0 0 "[ . 1 . 2 . 3 ]" 1
318 1 36 ARG HA 1 43 VAL MG1 . . 4.260 2.861 2.105 3.725 . 0 0 "[ . 1 . 2 . 3 ]" 1
319 1 45 LEU HA 1 84 PHE HA . . 3.930 2.376 2.065 2.552 . 0 0 "[ . 1 . 2 . 3 ]" 1
320 1 45 LEU HA 1 64 VAL MG2 . . 5.500 4.323 4.045 4.611 . 0 0 "[ . 1 . 2 . 3 ]" 1
321 1 48 THR HA 1 61 MET HA . . 3.400 2.302 2.040 2.532 . 0 0 "[ . 1 . 2 . 3 ]" 1
322 1 60 GLY HA2 1 61 MET HA . . 4.690 4.629 4.561 4.679 . 0 0 "[ . 1 . 2 . 3 ]" 1
323 1 50 MET HA 1 51 ARG H . . 2.830 2.215 2.115 2.298 . 0 0 "[ . 1 . 2 . 3 ]" 1
324 1 49 PHE QD 1 50 MET HA . . 4.970 3.688 3.050 4.400 . 0 0 "[ . 1 . 2 . 3 ]" 1
325 1 50 MET HA 1 59 MET HA . . 3.390 2.361 2.145 2.820 . 0 0 "[ . 1 . 2 . 3 ]" 1
326 1 50 MET HA 1 60 GLY H . . 3.850 3.692 3.273 3.867 0.017 25 0 "[ . 1 . 2 . 3 ]" 1
327 1 47 GLU HA 1 82 TYR HA . . 3.260 2.134 1.954 2.415 . 0 0 "[ . 1 . 2 . 3 ]" 1
328 1 46 HIS HA 1 64 VAL MG2 . . 5.500 2.726 2.387 3.132 . 0 0 "[ . 1 . 2 . 3 ]" 1
329 1 102 ASP HA 1 103 LEU H . . 2.960 2.257 2.142 2.375 . 0 0 "[ . 1 . 2 . 3 ]" 1
330 1 83 HIS HD2 1 85 MET HA . . 5.490 3.386 3.023 3.949 . 0 0 "[ . 1 . 2 . 3 ]" 1
331 1 17 ALA HA 1 85 MET HA . . 3.510 2.293 2.055 2.478 . 0 0 "[ . 1 . 2 . 3 ]" 1
332 1 85 MET HA 1 87 LEU QD . . 5.500 4.445 3.764 5.418 . 0 0 "[ . 1 . 2 . 3 ]" 1
333 1 38 PRO HD2 1 39 VAL H . . 4.230 2.816 2.546 3.164 . 0 0 "[ . 1 . 2 . 3 ]" 1
334 1 37 THR HG1 1 38 PRO HD2 . . 4.110 2.053 1.918 2.206 . 0 0 "[ . 1 . 2 . 3 ]" 1
335 1 38 PRO HD2 1 100 GLU H . . 5.220 3.519 2.643 4.369 . 0 0 "[ . 1 . 2 . 3 ]" 1
336 1 38 PRO HD3 1 39 VAL H . . 4.580 3.946 3.800 4.161 . 0 0 "[ . 1 . 2 . 3 ]" 1
337 1 37 THR HG1 1 38 PRO HD3 . . 4.970 3.566 3.256 3.821 . 0 0 "[ . 1 . 2 . 3 ]" 1
338 1 28 LEU HA 1 29 PRO HD3 . . 3.430 2.266 2.165 2.514 . 0 0 "[ . 1 . 2 . 3 ]" 1
339 1 69 VAL MG1 1 70 PRO HD3 . . 4.810 3.526 3.317 3.648 . 0 0 "[ . 1 . 2 . 3 ]" 1
340 1 35 ALA HA 1 103 LEU HA . . 3.520 2.556 2.234 2.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
341 1 16 ALA MB 1 17 ALA HA . . 5.500 4.054 3.936 4.196 . 0 0 "[ . 1 . 2 . 3 ]" 1
342 1 115 LEU HA 1 116 PRO HD2 . . 3.850 2.208 2.052 2.481 . 0 0 "[ . 1 . 2 . 3 ]" 1
343 1 115 LEU HA 1 116 PRO HD3 . . 3.850 2.591 2.186 2.813 . 0 0 "[ . 1 . 2 . 3 ]" 1
344 1 24 ASN HA 1 25 PRO HD2 . . 3.320 2.114 2.084 2.229 . 0 0 "[ . 1 . 2 . 3 ]" 1
345 1 28 LEU HA 1 29 PRO HD2 . . 3.350 2.872 2.762 3.086 . 0 0 "[ . 1 . 2 . 3 ]" 1
346 1 28 LEU HB3 1 29 PRO HD3 . . 4.120 3.952 2.869 4.190 0.070 31 0 "[ . 1 . 2 . 3 ]" 1
347 1 18 ALA HA 1 19 TYR H . . 2.880 2.155 2.061 2.298 . 0 0 "[ . 1 . 2 . 3 ]" 1
348 1 8 VAL HA 1 18 ALA HA . . 3.030 2.311 2.073 2.857 . 0 0 "[ . 1 . 2 . 3 ]" 1
349 1 24 ASN HA 1 26 GLY H . . 4.160 3.450 3.135 3.691 . 0 0 "[ . 1 . 2 . 3 ]" 1
350 1 24 ASN HA 1 25 PRO HD3 . . 3.590 2.783 2.457 3.215 . 0 0 "[ . 1 . 2 . 3 ]" 1
351 1 24 ASN HA 1 25 PRO HG2 . . 4.240 4.300 4.248 4.345 0.105 14 0 "[ . 1 . 2 . 3 ]" 1
352 1 22 LEU MD1 1 24 ASN HA . . 5.300 4.273 3.512 5.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
353 1 111 LEU H 1 111 LEU HB2 . . 3.970 3.156 2.734 3.555 . 0 0 "[ . 1 . 2 . 3 ]" 1
354 1 111 LEU HB2 1 112 LYS H . . 4.940 4.238 3.602 4.581 . 0 0 "[ . 1 . 2 . 3 ]" 1
355 1 105 PHE QE 1 111 LEU HB2 . . 3.950 3.045 2.242 3.966 0.016 31 0 "[ . 1 . 2 . 3 ]" 1
356 1 111 LEU HB3 1 112 LYS H . . 4.940 3.934 2.302 4.482 . 0 0 "[ . 1 . 2 . 3 ]" 1
357 1 111 LEU H 1 111 LEU HB3 . . 3.970 2.917 2.502 3.868 . 0 0 "[ . 1 . 2 . 3 ]" 1
358 1 101 LEU H 1 101 LEU HB3 . . 3.690 3.501 2.480 3.770 0.080 3 0 "[ . 1 . 2 . 3 ]" 1
359 1 101 LEU HB3 1 102 ASP H . . 4.460 3.228 2.585 4.277 . 0 0 "[ . 1 . 2 . 3 ]" 1
360 1 67 LEU H 1 67 LEU HB2 . . 4.080 2.708 2.600 2.813 . 0 0 "[ . 1 . 2 . 3 ]" 1
361 1 32 LEU HB3 1 67 LEU HB2 . . 3.920 2.217 2.185 2.260 . 0 0 "[ . 1 . 2 . 3 ]" 1
362 1 32 LEU HB3 1 67 LEU HB3 . . 3.920 3.943 3.924 3.965 0.045 14 0 "[ . 1 . 2 . 3 ]" 1
363 1 101 LEU H 1 101 LEU HB2 . . 3.690 2.808 2.463 3.745 0.055 10 0 "[ . 1 . 2 . 3 ]" 1
364 1 34 GLY HA3 1 35 ALA H . . 3.270 2.481 2.389 2.559 . 0 0 "[ . 1 . 2 . 3 ]" 1
365 1 34 GLY HA3 1 104 LEU HG . . 5.200 3.715 3.660 3.769 . 0 0 "[ . 1 . 2 . 3 ]" 1
366 1 34 GLY HA2 1 104 LEU HG . . 4.910 4.947 4.925 4.973 0.063 22 0 "[ . 1 . 2 . 3 ]" 1
367 1 115 LEU H 1 115 LEU HB3 . . 4.080 3.721 3.541 3.868 . 0 0 "[ . 1 . 2 . 3 ]" 1
368 1 30 LEU HB3 1 31 ARG H . . 4.160 2.614 2.469 2.811 . 0 0 "[ . 1 . 2 . 3 ]" 1
369 1 30 LEU H 1 30 LEU HB3 . . 4.000 3.632 3.478 3.778 . 0 0 "[ . 1 . 2 . 3 ]" 1
370 1 30 LEU HB3 1 69 VAL HB . . 4.060 3.883 3.339 4.092 0.032 23 0 "[ . 1 . 2 . 3 ]" 1
371 1 30 LEU HB2 1 105 PHE QD . . 4.590 4.379 4.091 4.679 0.089 1 0 "[ . 1 . 2 . 3 ]" 1
372 1 30 LEU H 1 30 LEU HB2 . . 3.780 2.421 2.275 2.604 . 0 0 "[ . 1 . 2 . 3 ]" 1
373 1 24 ASN HD22 1 30 LEU HB2 . . 5.290 3.722 3.068 4.336 . 0 0 "[ . 1 . 2 . 3 ]" 1
374 1 30 LEU HB2 1 69 VAL HB . . 3.500 2.833 2.206 3.526 0.026 23 0 "[ . 1 . 2 . 3 ]" 1
375 1 30 LEU HB2 1 69 VAL MG2 . . 4.840 4.116 3.394 4.821 . 0 0 "[ . 1 . 2 . 3 ]" 1
376 1 73 GLY HA3 1 74 ARG H . . 3.140 2.774 2.507 3.178 0.038 22 0 "[ . 1 . 2 . 3 ]" 1
377 1 22 LEU HB2 1 23 GLU H . . 4.430 4.253 2.732 4.485 0.055 5 0 "[ . 1 . 2 . 3 ]" 1
378 1 22 LEU HB2 1 75 VAL HB . . 4.810 4.095 2.235 4.879 0.069 11 0 "[ . 1 . 2 . 3 ]" 1
379 1 22 LEU HB3 1 75 VAL H . . 5.210 3.479 2.751 5.067 . 0 0 "[ . 1 . 2 . 3 ]" 1
380 1 22 LEU H 1 22 LEU HB3 . . 3.990 3.006 2.367 3.585 . 0 0 "[ . 1 . 2 . 3 ]" 1
381 1 22 LEU HB3 1 23 GLU H . . 4.600 3.802 2.454 4.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
382 1 60 GLY HA3 1 61 MET H . . 3.190 2.604 2.470 2.771 . 0 0 "[ . 1 . 2 . 3 ]" 1
383 1 32 LEU HB3 1 105 PHE QD . . 4.700 4.624 4.154 4.730 0.030 10 0 "[ . 1 . 2 . 3 ]" 1
384 1 31 ARG HA 1 32 LEU HB3 . . 5.500 4.403 4.189 4.673 . 0 0 "[ . 1 . 2 . 3 ]" 1
385 1 32 LEU H 1 32 LEU HB3 . . 3.790 2.326 2.218 2.521 . 0 0 "[ . 1 . 2 . 3 ]" 1
386 1 20 LEU HB2 1 21 THR H . . 4.110 2.548 1.911 4.096 . 0 0 "[ . 1 . 2 . 3 ]" 1
387 1 31 ARG HA 1 32 LEU HB2 . . 4.570 4.508 4.313 4.653 0.083 2 0 "[ . 1 . 2 . 3 ]" 1
388 1 32 LEU HB2 1 105 PHE QD . . 5.500 3.290 2.798 3.501 . 0 0 "[ . 1 . 2 . 3 ]" 1
389 1 31 ARG HD2 1 106 ALA MB . . 5.300 3.734 2.440 5.256 . 0 0 "[ . 1 . 2 . 3 ]" 1
390 1 31 ARG HD2 1 33 VAL MG1 . . 5.500 3.657 3.321 4.198 . 0 0 "[ . 1 . 2 . 3 ]" 1
391 1 28 LEU HB2 1 29 PRO HD3 . . 4.120 3.351 2.927 4.216 0.096 3 0 "[ . 1 . 2 . 3 ]" 1
392 1 90 LYS HE3 1 90 LYS HG3 . . 3.940 2.803 2.269 3.771 . 0 0 "[ . 1 . 2 . 3 ]" 1
393 1 103 LEU H 1 103 LEU HB2 . . 4.140 2.372 2.099 2.611 . 0 0 "[ . 1 . 2 . 3 ]" 1
394 1 103 LEU HB2 1 104 LEU H . . 4.700 4.313 4.116 4.472 . 0 0 "[ . 1 . 2 . 3 ]" 1
395 1 104 LEU HB3 1 105 PHE H . . 4.430 3.668 3.355 3.886 . 0 0 "[ . 1 . 2 . 3 ]" 1
396 1 35 ALA HA 1 104 LEU HB3 . . 5.300 5.032 4.841 5.220 . 0 0 "[ . 1 . 2 . 3 ]" 1
397 1 34 GLY HA3 1 104 LEU HB3 . . 4.390 3.567 3.502 3.665 . 0 0 "[ . 1 . 2 . 3 ]" 1
398 1 103 LEU HB3 1 111 LEU H . . 4.930 4.489 4.193 4.937 0.007 23 0 "[ . 1 . 2 . 3 ]" 1
399 1 49 PHE H 1 49 PHE HB3 . . 3.750 3.313 3.061 3.487 . 0 0 "[ . 1 . 2 . 3 ]" 1
400 1 27 ASP HB3 1 28 LEU H . . 4.120 3.992 2.342 4.176 0.056 7 0 "[ . 1 . 2 . 3 ]" 1
401 1 36 ARG QG 1 102 ASP HB2 . . 4.150 3.616 2.042 4.220 0.070 31 0 "[ . 1 . 2 . 3 ]" 1
402 1 105 PHE HB2 1 109 LYS HB3 . . 3.540 2.774 2.000 3.421 . 0 0 "[ . 1 . 2 . 3 ]" 1
403 1 84 PHE H 1 84 PHE HB2 . . 4.030 2.397 2.305 2.505 . 0 0 "[ . 1 . 2 . 3 ]" 1
404 1 77 LEU HB2 1 83 HIS HA . . 4.940 3.939 3.506 4.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
405 1 36 ARG QG 1 102 ASP HB3 . . 4.470 4.224 2.667 4.546 0.076 5 0 "[ . 1 . 2 . 3 ]" 1
406 1 102 ASP HB3 1 103 LEU H . . 4.330 3.315 2.672 4.042 . 0 0 "[ . 1 . 2 . 3 ]" 1
407 1 20 LEU H 1 77 LEU HB3 . . 4.540 3.515 2.961 4.446 . 0 0 "[ . 1 . 2 . 3 ]" 1
408 1 24 ASN H 1 24 ASN HB3 . . 4.080 2.603 2.421 2.945 . 0 0 "[ . 1 . 2 . 3 ]" 1
409 1 43 VAL MG2 1 84 PHE HB3 . . 4.580 2.328 2.114 2.737 . 0 0 "[ . 1 . 2 . 3 ]" 1
410 1 20 LEU H 1 77 LEU HB2 . . 4.210 2.427 1.803 3.418 . 0 0 "[ . 1 . 2 . 3 ]" 1
411 1 77 LEU HB3 1 83 HIS HA . . 4.730 2.498 1.974 3.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
412 1 82 TYR HB2 1 83 HIS H . . 3.950 3.984 3.796 4.047 0.097 19 0 "[ . 1 . 2 . 3 ]" 1
413 1 77 LEU HG 1 82 TYR HB2 . . 4.150 3.182 2.575 3.686 . 0 0 "[ . 1 . 2 . 3 ]" 1
414 1 68 GLU H 1 68 GLU HG3 . . 4.990 4.520 4.422 4.669 . 0 0 "[ . 1 . 2 . 3 ]" 1
415 1 68 GLU H 1 68 GLU HG2 . . 4.990 4.689 4.400 4.835 . 0 0 "[ . 1 . 2 . 3 ]" 1
416 1 68 GLU HA 1 68 GLU HG2 . . 4.220 3.720 3.417 3.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
417 1 52 GLU H 1 52 GLU HG2 . . 4.330 4.468 4.271 4.551 0.221 21 0 "[ . 1 . 2 . 3 ]" 1
418 1 85 MET HG2 1 87 LEU QD . . 5.500 3.283 2.430 5.253 . 0 0 "[ . 1 . 2 . 3 ]" 1
419 1 54 GLU HA 1 54 GLU HG2 . . 3.860 2.898 2.384 3.631 . 0 0 "[ . 1 . 2 . 3 ]" 1
420 1 54 GLU HA 1 54 GLU HG3 . . 3.860 3.091 2.581 3.779 . 0 0 "[ . 1 . 2 . 3 ]" 1
421 1 52 GLU H 1 52 GLU HG3 . . 4.330 4.360 4.321 4.446 0.116 14 0 "[ . 1 . 2 . 3 ]" 1
422 1 52 GLU HG3 1 56 LYS H . . 4.370 2.919 2.720 4.456 0.086 14 0 "[ . 1 . 2 . 3 ]" 1
423 1 52 GLU HA 1 52 GLU HG2 . . 3.940 3.630 1.946 3.811 . 0 0 "[ . 1 . 2 . 3 ]" 1
424 1 54 GLU H 1 54 GLU HG3 . . 4.960 3.365 2.567 4.563 . 0 0 "[ . 1 . 2 . 3 ]" 1
425 1 113 VAL HB 1 114 VAL H . . 3.280 2.891 2.030 3.381 0.101 10 0 "[ . 1 . 2 . 3 ]" 1
426 1 44 GLU H 1 44 GLU HB3 . . 4.090 3.608 2.693 3.844 . 0 0 "[ . 1 . 2 . 3 ]" 1
427 1 44 GLU H 1 44 GLU HB2 . . 4.090 2.665 2.314 3.873 . 0 0 "[ . 1 . 2 . 3 ]" 1
428 1 74 ARG HB2 1 75 VAL H . . 4.400 3.417 2.410 4.482 0.082 22 0 "[ . 1 . 2 . 3 ]" 1
429 1 38 PRO HB2 1 39 VAL H . . 3.960 3.891 3.752 3.992 0.032 10 0 "[ . 1 . 2 . 3 ]" 1
430 1 68 GLU HB2 1 69 VAL H . . 4.550 4.124 3.833 4.304 . 0 0 "[ . 1 . 2 . 3 ]" 1
431 1 68 GLU HB3 1 69 VAL H . . 4.550 4.043 3.917 4.153 . 0 0 "[ . 1 . 2 . 3 ]" 1
432 1 83 HIS HB3 1 84 PHE H . . 4.020 3.928 3.768 4.041 0.021 27 0 "[ . 1 . 2 . 3 ]" 1
433 1 17 ALA MB 1 83 HIS HB3 . . 5.500 4.224 3.622 5.037 . 0 0 "[ . 1 . 2 . 3 ]" 1
434 1 17 ALA MB 1 83 HIS HB2 . . 5.500 3.082 2.526 3.878 . 0 0 "[ . 1 . 2 . 3 ]" 1
435 1 77 LEU HG 1 78 LYS H . . 4.910 4.555 3.431 4.966 0.056 15 0 "[ . 1 . 2 . 3 ]" 1
436 1 77 LEU HG 1 83 HIS HA . . 4.460 3.899 2.873 4.468 0.008 18 0 "[ . 1 . 2 . 3 ]" 1
437 1 77 LEU HG 1 82 TYR HB3 . . 4.150 3.011 2.646 3.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
438 1 77 LEU HG 1 82 TYR QD . . 5.500 4.667 4.231 5.149 . 0 0 "[ . 1 . 2 . 3 ]" 1
439 1 20 LEU MD2 1 77 LEU HG . . 5.500 5.191 4.468 5.567 0.067 10 0 "[ . 1 . 2 . 3 ]" 1
440 1 31 ARG HG2 1 32 LEU H . . 5.060 3.893 3.231 5.094 0.034 8 0 "[ . 1 . 2 . 3 ]" 1
441 1 31 ARG HG3 1 66 PHE HB2 . . 5.160 3.000 2.613 3.467 . 0 0 "[ . 1 . 2 . 3 ]" 1
442 1 20 LEU MD2 1 77 LEU MD1 . . 4.780 2.877 2.086 3.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
443 1 32 LEU HA 1 32 LEU HG . . 4.040 3.096 2.326 3.852 . 0 0 "[ . 1 . 2 . 3 ]" 1
444 1 35 ALA HA 1 104 LEU HG . . 3.650 2.429 2.196 2.595 . 0 0 "[ . 1 . 2 . 3 ]" 1
445 1 101 LEU H 1 101 LEU HG . . 5.000 4.454 2.881 4.879 . 0 0 "[ . 1 . 2 . 3 ]" 1
446 1 101 LEU HA 1 101 LEU HG . . 3.990 2.619 2.163 3.780 . 0 0 "[ . 1 . 2 . 3 ]" 1
447 1 101 LEU HG 1 102 ASP H . . 4.880 3.540 2.501 4.966 0.086 3 0 "[ . 1 . 2 . 3 ]" 1
448 1 25 PRO HG3 1 26 GLY H . . 5.100 4.474 4.142 4.682 . 0 0 "[ . 1 . 2 . 3 ]" 1
449 1 67 LEU H 1 67 LEU HG . . 4.630 2.948 2.787 3.090 . 0 0 "[ . 1 . 2 . 3 ]" 1
450 1 20 LEU MD2 1 77 LEU MD2 . . 5.500 3.212 2.224 3.938 . 0 0 "[ . 1 . 2 . 3 ]" 1
451 1 25 PRO HG2 1 26 GLY H . . 4.740 3.008 2.588 3.267 . 0 0 "[ . 1 . 2 . 3 ]" 1
452 1 24 ASN HA 1 25 PRO HG3 . . 4.980 4.654 4.505 4.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
453 1 115 LEU H 1 115 LEU MD1 . . 5.500 3.780 2.421 4.469 . 0 0 "[ . 1 . 2 . 3 ]" 1
454 1 77 LEU H 1 77 LEU MD2 . . 5.500 4.145 3.837 4.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
455 1 101 LEU H 1 101 LEU MD1 . . 5.500 3.764 2.222 4.914 . 0 0 "[ . 1 . 2 . 3 ]" 1
456 1 101 LEU MD1 1 102 ASP H . . 5.500 4.155 2.807 4.997 . 0 0 "[ . 1 . 2 . 3 ]" 1
457 1 37 THR HA 1 101 LEU MD1 . . 5.500 4.317 3.517 5.528 0.028 8 0 "[ . 1 . 2 . 3 ]" 1
458 1 30 LEU MD1 1 69 VAL HB . . 5.500 4.292 3.365 5.510 0.010 23 0 "[ . 1 . 2 . 3 ]" 1
459 1 24 ASN HD21 1 30 LEU MD2 . . 6.600 4.485 3.248 5.196 . 0 0 "[ . 1 . 2 . 3 ]" 1
460 1 30 LEU MD2 1 105 PHE HB2 . . 5.500 4.132 3.146 5.562 0.062 9 0 "[ . 1 . 2 . 3 ]" 1
461 1 30 LEU MD2 1 69 VAL HB . . 5.500 5.115 3.972 5.528 0.028 16 0 "[ . 1 . 2 . 3 ]" 1
462 1 67 LEU MD2 1 82 TYR HB3 . . 4.810 2.920 2.424 3.477 . 0 0 "[ . 1 . 2 . 3 ]" 1
463 1 112 LYS HA 1 112 LYS HG3 . . 4.240 3.116 2.158 3.920 . 0 0 "[ . 1 . 2 . 3 ]" 1
464 1 112 LYS HA 1 112 LYS HG2 . . 4.240 3.348 2.224 3.933 . 0 0 "[ . 1 . 2 . 3 ]" 1
465 1 45 LEU MD1 1 67 LEU H . . 5.500 4.141 2.983 4.672 . 0 0 "[ . 1 . 2 . 3 ]" 1
466 1 45 LEU MD1 1 84 PHE HA . . 5.220 3.600 3.045 5.237 0.017 24 0 "[ . 1 . 2 . 3 ]" 1
467 1 34 GLY HA3 1 43 VAL MG1 . . 4.310 4.375 4.209 4.454 0.144 30 0 "[ . 1 . 2 . 3 ]" 1
468 1 43 VAL MG2 1 84 PHE HB2 . . 4.580 3.552 3.211 4.082 . 0 0 "[ . 1 . 2 . 3 ]" 1
469 1 16 ALA H 1 85 MET ME . . 4.210 3.874 3.611 4.232 0.022 30 0 "[ . 1 . 2 . 3 ]" 1
470 1 17 ALA MB 1 85 MET ME . . 4.850 2.518 1.967 3.050 . 0 0 "[ . 1 . 2 . 3 ]" 1
471 1 85 MET ME 1 87 LEU QD . . 5.500 4.003 3.301 4.999 . 0 0 "[ . 1 . 2 . 3 ]" 1
472 1 48 THR MG 1 61 MET ME . . 5.500 3.651 2.964 4.343 . 0 0 "[ . 1 . 2 . 3 ]" 1
473 1 61 MET HA 1 61 MET ME . . 4.550 4.194 4.053 4.566 0.016 25 0 "[ . 1 . 2 . 3 ]" 1
474 1 48 THR HA 1 61 MET ME . . 5.070 4.481 4.077 4.748 . 0 0 "[ . 1 . 2 . 3 ]" 1
475 1 37 THR MG 1 39 VAL H . . 4.820 2.830 2.641 2.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
476 1 64 VAL MG2 1 65 PRO HA . . 5.500 4.776 4.584 5.457 . 0 0 "[ . 1 . 2 . 3 ]" 1
477 1 64 VAL MG2 1 65 PRO HD3 . . 5.430 4.420 4.222 4.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
478 1 31 ARG H 1 106 ALA MB . . 5.280 3.919 3.424 4.696 . 0 0 "[ . 1 . 2 . 3 ]" 1
479 1 33 VAL MG1 1 106 ALA MB . . 4.900 2.672 1.988 3.826 . 0 0 "[ . 1 . 2 . 3 ]" 1
480 1 33 VAL MG2 1 106 ALA MB . . 5.500 3.669 2.362 4.433 . 0 0 "[ . 1 . 2 . 3 ]" 1
481 1 45 LEU HG 1 64 VAL MG2 . . 5.500 2.062 2.021 2.120 . 0 0 "[ . 1 . 2 . 3 ]" 1
482 1 33 VAL MG2 1 105 PHE H . . 5.500 4.103 3.760 4.390 . 0 0 "[ . 1 . 2 . 3 ]" 1
483 1 33 VAL MG2 1 104 LEU HB2 . . 4.580 3.072 2.806 3.305 . 0 0 "[ . 1 . 2 . 3 ]" 1
484 1 33 VAL MG2 1 34 GLY HA2 . . 5.500 4.147 4.038 4.248 . 0 0 "[ . 1 . 2 . 3 ]" 1
485 1 37 THR HA 1 38 PRO HD2 . . 3.210 2.481 2.289 2.671 . 0 0 "[ . 1 . 2 . 3 ]" 1
486 1 37 THR HA 1 101 LEU HA . . 3.760 2.840 2.469 3.222 . 0 0 "[ . 1 . 2 . 3 ]" 1
487 1 37 THR HB 1 102 ASP H . . 4.310 3.750 3.264 4.283 . 0 0 "[ . 1 . 2 . 3 ]" 1
488 1 37 THR HB 1 101 LEU HA . . 3.470 2.538 2.030 3.248 . 0 0 "[ . 1 . 2 . 3 ]" 1
489 1 37 THR HB 1 38 PRO HD3 . . 4.320 4.369 4.346 4.391 0.071 6 0 "[ . 1 . 2 . 3 ]" 1
490 1 37 THR HB 1 101 LEU HG . . 4.450 2.879 2.135 4.519 0.069 11 0 "[ . 1 . 2 . 3 ]" 1
491 1 37 THR HB 1 99 VAL MG1 . . 4.800 3.855 3.241 4.783 . 0 0 "[ . 1 . 2 . 3 ]" 1
492 1 24 ASN HB3 1 71 PRO HA . . 4.080 3.098 2.467 3.945 . 0 0 "[ . 1 . 2 . 3 ]" 1
493 1 43 VAL HA 1 86 LEU HG . . 4.330 4.045 3.512 4.342 0.012 12 0 "[ . 1 . 2 . 3 ]" 1
494 1 7 TRP HA 1 115 LEU HB3 . . 4.480 2.974 2.123 4.329 . 0 0 "[ . 1 . 2 . 3 ]" 1
495 1 8 VAL MG2 1 18 ALA HA . . 4.030 3.359 2.323 4.035 0.005 9 0 "[ . 1 . 2 . 3 ]" 1
496 1 20 LEU HB3 1 77 LEU MD1 . . 5.250 4.705 2.118 5.260 0.010 20 0 "[ . 1 . 2 . 3 ]" 1
497 1 20 LEU H 1 20 LEU MD1 . . 5.460 3.608 2.323 4.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
498 1 20 LEU MD1 1 77 LEU MD2 . . 5.500 3.540 2.294 5.094 . 0 0 "[ . 1 . 2 . 3 ]" 1
499 1 24 ASN HA 1 30 LEU HG . . 5.060 4.283 3.056 5.131 0.071 22 0 "[ . 1 . 2 . 3 ]" 1
500 1 24 ASN HB2 1 69 VAL MG1 . . 4.720 2.602 2.089 3.843 . 0 0 "[ . 1 . 2 . 3 ]" 1
501 1 28 LEU HB2 1 29 PRO HD2 . . 4.340 2.364 1.955 3.616 . 0 0 "[ . 1 . 2 . 3 ]" 1
502 1 30 LEU HB3 1 69 VAL MG2 . . 4.730 4.463 3.766 4.751 0.021 10 0 "[ . 1 . 2 . 3 ]" 1
503 1 31 ARG HG3 1 32 LEU H . . 5.060 3.300 2.929 3.568 . 0 0 "[ . 1 . 2 . 3 ]" 1
504 1 31 ARG HG3 1 66 PHE HB3 . . 5.160 4.277 3.804 4.838 . 0 0 "[ . 1 . 2 . 3 ]" 1
505 1 31 ARG HD3 1 33 VAL MG1 . . 5.500 4.014 3.021 5.134 . 0 0 "[ . 1 . 2 . 3 ]" 1
506 1 32 LEU HB2 1 67 LEU H . . 4.620 4.594 4.418 4.665 0.045 23 0 "[ . 1 . 2 . 3 ]" 1
507 1 34 GLY HA3 1 104 LEU HB2 . . 3.990 2.355 2.209 2.509 . 0 0 "[ . 1 . 2 . 3 ]" 1
508 1 38 PRO HD2 1 99 VAL MG1 . . 5.500 3.141 2.238 3.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
509 1 38 PRO HD3 1 101 LEU HA . . 4.900 4.436 3.551 4.929 0.029 9 0 "[ . 1 . 2 . 3 ]" 1
510 1 38 PRO HD2 1 101 LEU HA . . 4.790 4.151 3.650 4.478 . 0 0 "[ . 1 . 2 . 3 ]" 1
511 1 37 THR HB 1 38 PRO HD2 . . 4.150 3.483 3.078 3.701 . 0 0 "[ . 1 . 2 . 3 ]" 1
512 1 38 PRO HD3 1 39 VAL MG1 . . 5.500 5.087 4.706 5.525 0.025 22 0 "[ . 1 . 2 . 3 ]" 1
513 1 45 LEU MD1 1 84 PHE QE . . 5.500 2.794 2.338 3.916 . 0 0 "[ . 1 . 2 . 3 ]" 1
514 1 45 LEU MD2 1 84 PHE HA . . 5.500 5.436 4.906 5.583 0.083 20 0 "[ . 1 . 2 . 3 ]" 1
515 1 52 GLU HA 1 57 LYS HA . . 2.920 2.453 2.162 2.938 0.018 13 0 "[ . 1 . 2 . 3 ]" 1
516 1 58 VAL HA 1 59 MET QG . . 4.410 4.033 3.372 4.458 0.048 6 0 "[ . 1 . 2 . 3 ]" 1
517 1 49 PHE H 1 61 MET HA . . 3.880 3.525 3.159 3.864 . 0 0 "[ . 1 . 2 . 3 ]" 1
518 1 61 MET HA 1 62 ARG HG2 . . 5.300 4.671 3.372 5.512 0.212 29 0 "[ . 1 . 2 . 3 ]" 1
519 1 61 MET HA 1 62 ARG HG3 . . 5.300 4.759 3.661 5.344 0.044 19 0 "[ . 1 . 2 . 3 ]" 1
520 1 31 ARG HG2 1 66 PHE HB2 . . 5.160 3.042 2.510 4.587 . 0 0 "[ . 1 . 2 . 3 ]" 1
521 1 67 LEU HB2 1 68 GLU H . . 3.990 3.623 3.465 3.751 . 0 0 "[ . 1 . 2 . 3 ]" 1
522 1 32 LEU HB3 1 67 LEU HG . . 4.210 3.574 3.333 3.695 . 0 0 "[ . 1 . 2 . 3 ]" 1
523 1 67 LEU MD2 1 77 LEU MD1 . . 4.850 4.380 3.876 4.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
524 1 29 PRO HA 1 71 PRO HD2 . . 4.070 3.881 3.575 4.079 0.009 3 0 "[ . 1 . 2 . 3 ]" 1
525 1 70 PRO HB3 1 71 PRO HD2 . . 3.590 2.990 2.695 3.199 . 0 0 "[ . 1 . 2 . 3 ]" 1
526 1 72 LYS HA 1 72 LYS QD . . 3.470 2.396 2.083 3.557 0.087 3 0 "[ . 1 . 2 . 3 ]" 1
527 1 77 LEU MD2 1 83 HIS HB3 . . 5.500 4.179 3.660 4.435 . 0 0 "[ . 1 . 2 . 3 ]" 1
528 1 77 LEU MD2 1 83 HIS HB2 . . 5.500 4.103 3.403 4.410 . 0 0 "[ . 1 . 2 . 3 ]" 1
529 1 19 TYR QE 1 83 HIS HB2 . . 4.920 3.363 2.412 5.019 0.099 28 0 "[ . 1 . 2 . 3 ]" 1
530 1 19 TYR QE 1 83 HIS HB3 . . 4.790 2.533 2.141 3.968 . 0 0 "[ . 1 . 2 . 3 ]" 1
531 1 17 ALA MB 1 85 MET HA . . 5.180 3.130 2.877 3.509 . 0 0 "[ . 1 . 2 . 3 ]" 1
532 1 103 LEU HB2 1 111 LEU H . . 4.930 3.262 2.826 3.756 . 0 0 "[ . 1 . 2 . 3 ]" 1
533 1 32 LEU HB2 1 105 PHE HA . . 4.480 4.542 4.492 4.613 0.133 4 0 "[ . 1 . 2 . 3 ]" 1
534 1 19 TYR QE 1 79 PRO HA . . 4.840 2.656 2.170 3.571 . 0 0 "[ . 1 . 2 . 3 ]" 1
535 1 89 LEU HA 1 89 LEU QD . . 4.000 3.263 1.919 3.428 . 0 0 "[ . 1 . 2 . 3 ]" 1
536 1 41 GLU HA 1 90 LYS HE2 . . 4.400 3.468 2.574 4.216 . 0 0 "[ . 1 . 2 . 3 ]" 1
537 1 90 LYS HE2 1 90 LYS HG3 . . 3.940 3.090 2.398 3.822 . 0 0 "[ . 1 . 2 . 3 ]" 1
538 1 90 LYS HE2 1 90 LYS HG2 . . 3.940 2.862 2.394 3.813 . 0 0 "[ . 1 . 2 . 3 ]" 1
539 1 90 LYS HE3 1 90 LYS HG2 . . 3.940 3.132 2.402 3.852 . 0 0 "[ . 1 . 2 . 3 ]" 1
540 1 25 PRO HD2 1 26 GLY H . . 4.300 2.963 2.758 3.307 . 0 0 "[ . 1 . 2 . 3 ]" 1
541 1 25 PRO HD3 1 26 GLY H . . 4.480 4.085 3.985 4.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
542 1 29 PRO HB3 1 30 LEU H . . 3.840 3.769 3.432 3.897 0.057 31 0 "[ . 1 . 2 . 3 ]" 1
543 1 29 PRO HB3 1 71 PRO HD3 . . 4.170 2.512 2.259 2.826 . 0 0 "[ . 1 . 2 . 3 ]" 1
544 1 29 PRO HB2 1 30 LEU H . . 3.920 3.088 2.477 3.392 . 0 0 "[ . 1 . 2 . 3 ]" 1
545 1 38 PRO HD2 1 39 VAL MG1 . . 5.500 4.056 3.560 4.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
546 1 46 HIS HB3 1 63 PRO HA . . 4.330 3.871 3.604 4.060 . 0 0 "[ . 1 . 2 . 3 ]" 1
547 1 70 PRO HB2 1 71 PRO HD2 . . 3.590 2.276 2.191 2.377 . 0 0 "[ . 1 . 2 . 3 ]" 1
548 1 78 LYS HA 1 79 PRO HD3 . . 3.920 2.560 2.241 2.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
549 1 115 LEU HA 1 116 PRO HG2 . . 4.630 4.423 4.258 4.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
550 1 115 LEU HA 1 116 PRO HG3 . . 4.630 4.609 4.408 4.646 0.016 18 0 "[ . 1 . 2 . 3 ]" 1
551 1 82 TYR HB3 1 83 HIS H . . 3.950 2.812 2.558 2.969 . 0 0 "[ . 1 . 2 . 3 ]" 1
552 1 77 LEU MD2 1 82 TYR HA . . 5.500 4.565 3.910 5.426 . 0 0 "[ . 1 . 2 . 3 ]" 1
553 1 19 TYR HA 1 77 LEU HB2 . . 3.250 3.077 2.349 3.357 0.107 18 0 "[ . 1 . 2 . 3 ]" 1
554 1 35 ALA MB 1 101 LEU MD2 . . 5.500 2.878 2.088 4.905 . 0 0 "[ . 1 . 2 . 3 ]" 1
555 1 35 ALA MB 1 101 LEU MD1 . . 5.500 3.874 2.153 4.720 . 0 0 "[ . 1 . 2 . 3 ]" 1
556 1 33 VAL MG1 1 106 ALA HA . . 4.570 3.001 2.299 3.962 . 0 0 "[ . 1 . 2 . 3 ]" 1
557 1 31 ARG HD3 1 106 ALA MB . . 5.300 4.579 3.529 5.306 0.006 7 0 "[ . 1 . 2 . 3 ]" 1
558 1 105 PHE HB3 1 106 ALA MB . . 5.500 4.025 3.466 4.712 . 0 0 "[ . 1 . 2 . 3 ]" 1
559 1 61 MET H 1 61 MET ME . . 4.530 4.546 4.530 4.560 0.030 3 0 "[ . 1 . 2 . 3 ]" 1
560 1 85 MET HA 1 86 LEU H . . 3.090 2.194 1.992 2.266 . 0 0 "[ . 1 . 2 . 3 ]" 1
561 1 85 MET HG3 1 87 LEU QD . . 5.500 3.244 2.471 5.378 . 0 0 "[ . 1 . 2 . 3 ]" 1
562 1 85 MET HA 1 85 MET ME . . 4.420 3.482 2.314 3.656 . 0 0 "[ . 1 . 2 . 3 ]" 1
563 1 16 ALA HA 1 85 MET ME . . 3.830 3.766 3.382 3.850 0.020 30 0 "[ . 1 . 2 . 3 ]" 1
564 1 59 MET HA 1 60 GLY H . . 2.930 2.269 2.121 2.411 . 0 0 "[ . 1 . 2 . 3 ]" 1
565 1 48 THR MG 1 59 MET QG . . 5.420 4.163 3.541 4.787 . 0 0 "[ . 1 . 2 . 3 ]" 1
566 1 59 MET HA 1 59 MET QG . . 3.460 2.289 2.181 2.588 . 0 0 "[ . 1 . 2 . 3 ]" 1
567 1 50 MET HA 1 59 MET QG . . 3.700 2.593 2.178 3.536 . 0 0 "[ . 1 . 2 . 3 ]" 1
568 1 51 ARG H 1 59 MET QG . . 4.030 3.928 3.389 4.056 0.026 17 0 "[ . 1 . 2 . 3 ]" 1
569 1 22 LEU HB3 1 75 VAL HB . . 4.010 3.136 2.190 4.065 0.055 23 0 "[ . 1 . 2 . 3 ]" 1
570 1 76 GLU HA 1 76 GLU HG3 . . 4.000 3.292 2.470 3.809 . 0 0 "[ . 1 . 2 . 3 ]" 1
571 1 74 ARG HD2 1 74 ARG HG2 . . 2.870 2.901 2.419 3.044 0.174 10 0 "[ . 1 . 2 . 3 ]" 1
572 1 74 ARG HD3 1 74 ARG HG2 . . 2.870 2.589 2.225 3.002 0.132 5 0 "[ . 1 . 2 . 3 ]" 1
573 1 74 ARG HD3 1 74 ARG HG3 . . 2.870 2.869 2.352 2.984 0.114 23 0 "[ . 1 . 2 . 3 ]" 1
574 1 74 ARG HD2 1 74 ARG HG3 . . 2.870 2.415 2.220 3.005 0.135 27 0 "[ . 1 . 2 . 3 ]" 1
575 1 29 PRO HA 1 70 PRO HA . . 3.840 2.924 2.624 3.287 . 0 0 "[ . 1 . 2 . 3 ]" 1
576 1 39 VAL HA 1 39 VAL HB . . 2.630 2.448 2.399 2.541 . 0 0 "[ . 1 . 2 . 3 ]" 1
577 1 43 VAL MG1 1 44 GLU H . . 4.320 3.685 3.013 4.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
578 1 45 LEU MD1 1 64 VAL MG2 . . 5.450 3.072 2.299 3.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
579 1 45 LEU MD2 1 64 VAL HB . . 4.990 4.256 3.157 4.954 . 0 0 "[ . 1 . 2 . 3 ]" 1
580 1 45 LEU MD2 1 64 VAL MG2 . . 4.880 2.668 2.202 3.610 . 0 0 "[ . 1 . 2 . 3 ]" 1
581 1 32 LEU HB3 1 67 LEU MD2 . . 4.780 4.798 4.683 4.824 0.044 18 0 "[ . 1 . 2 . 3 ]" 1
582 1 67 LEU MD1 1 77 LEU HG . . 5.500 2.339 2.083 2.770 . 0 0 "[ . 1 . 2 . 3 ]" 1
583 1 82 TYR H 1 82 TYR QD . . 3.990 2.850 2.269 3.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
584 1 82 TYR H 1 82 TYR QE . . 5.260 4.737 4.077 5.314 0.054 19 0 "[ . 1 . 2 . 3 ]" 1
585 1 54 GLU H 1 55 GLY H . . 4.230 2.896 2.233 3.692 . 0 0 "[ . 1 . 2 . 3 ]" 1
586 1 85 MET H 1 85 MET HB2 . . 4.070 2.565 2.349 2.829 . 0 0 "[ . 1 . 2 . 3 ]" 1
587 1 46 HIS H 1 85 MET H . . 5.350 3.936 3.715 4.249 . 0 0 "[ . 1 . 2 . 3 ]" 1
588 1 84 PHE QD 1 85 MET H . . 4.150 3.695 3.349 3.981 . 0 0 "[ . 1 . 2 . 3 ]" 1
589 1 98 GLU H 1 99 VAL H . . 3.910 4.020 3.903 4.110 0.200 11 0 "[ . 1 . 2 . 3 ]" 1
590 1 30 LEU H 1 69 VAL H . . 4.020 3.389 3.043 3.618 . 0 0 "[ . 1 . 2 . 3 ]" 1
591 1 30 LEU HB2 1 69 VAL H . . 4.820 3.960 3.512 4.531 . 0 0 "[ . 1 . 2 . 3 ]" 1
592 1 68 GLU H 1 69 VAL H . . 4.650 4.428 4.343 4.558 . 0 0 "[ . 1 . 2 . 3 ]" 1
593 1 103 LEU H 1 105 PHE QE . . 5.320 4.490 4.028 5.106 . 0 0 "[ . 1 . 2 . 3 ]" 1
594 1 103 LEU H 1 105 PHE QD . . 5.330 5.266 4.991 5.432 0.102 1 0 "[ . 1 . 2 . 3 ]" 1
595 1 30 LEU H 1 31 ARG H . . 4.680 4.397 4.256 4.479 . 0 0 "[ . 1 . 2 . 3 ]" 1
596 1 31 ARG H 1 31 ARG HB2 . . 3.790 3.236 3.070 3.373 . 0 0 "[ . 1 . 2 . 3 ]" 1
597 1 31 ARG H 1 105 PHE QD . . 4.480 2.586 2.105 4.244 . 0 0 "[ . 1 . 2 . 3 ]" 1
598 1 8 VAL H 1 8 VAL MG2 . . 4.270 2.686 2.313 3.683 . 0 0 "[ . 1 . 2 . 3 ]" 1
599 1 99 VAL H 1 115 LEU H . . 4.220 3.109 2.803 3.564 . 0 0 "[ . 1 . 2 . 3 ]" 1
600 1 6 GLY H 1 7 TRP H . . 4.600 4.449 4.348 4.609 0.009 9 0 "[ . 1 . 2 . 3 ]" 1
601 1 32 LEU H 1 67 LEU H . . 4.200 3.162 2.933 3.399 . 0 0 "[ . 1 . 2 . 3 ]" 1
602 1 32 LEU H 1 105 PHE QE . . 5.190 4.258 3.765 5.208 0.018 1 0 "[ . 1 . 2 . 3 ]" 1
603 1 32 LEU H 1 66 PHE QD . . 5.240 4.107 3.898 4.293 . 0 0 "[ . 1 . 2 . 3 ]" 1
604 1 32 LEU H 1 105 PHE QD . . 4.840 3.748 3.399 4.728 . 0 0 "[ . 1 . 2 . 3 ]" 1
605 1 46 HIS H 1 83 HIS HE1 . . 5.600 5.466 5.156 5.604 0.004 21 0 "[ . 1 . 2 . 3 ]" 1
606 1 46 HIS H 1 46 HIS HB3 . . 3.870 3.683 3.626 3.752 . 0 0 "[ . 1 . 2 . 3 ]" 1
607 1 46 HIS H 1 83 HIS H . . 4.320 3.303 2.969 3.512 . 0 0 "[ . 1 . 2 . 3 ]" 1
608 1 46 HIS H 1 82 TYR QD . . 5.950 4.956 4.741 5.860 . 0 0 "[ . 1 . 2 . 3 ]" 1
609 1 105 PHE QE 1 111 LEU H . . 4.710 3.786 3.029 4.343 . 0 0 "[ . 1 . 2 . 3 ]" 1
610 1 105 PHE QD 1 111 LEU H . . 4.530 3.692 3.368 4.306 . 0 0 "[ . 1 . 2 . 3 ]" 1
611 1 110 VAL MG2 1 111 LEU H . . 4.930 3.189 2.205 4.127 . 0 0 "[ . 1 . 2 . 3 ]" 1
612 1 58 VAL H 1 59 MET H . . 4.390 4.406 4.338 4.442 0.052 12 0 "[ . 1 . 2 . 3 ]" 1
613 1 66 PHE QE 1 68 GLU H . . 4.500 4.517 4.502 4.539 0.039 11 0 "[ . 1 . 2 . 3 ]" 1
614 1 66 PHE QD 1 68 GLU H . . 3.980 3.903 3.786 4.016 0.036 8 0 "[ . 1 . 2 . 3 ]" 1
615 1 53 VAL H 1 54 GLU H . . 5.030 4.098 2.025 4.342 . 0 0 "[ . 1 . 2 . 3 ]" 1
616 1 53 VAL H 1 55 GLY H . . 3.930 3.699 2.917 3.956 0.026 6 0 "[ . 1 . 2 . 3 ]" 1
617 1 53 VAL H 1 56 LYS H . . 3.490 2.744 2.553 3.134 . 0 0 "[ . 1 . 2 . 3 ]" 1
618 1 45 LEU H 1 84 PHE QE . . 6.220 4.906 3.392 6.109 . 0 0 "[ . 1 . 2 . 3 ]" 1
619 1 45 LEU H 1 45 LEU HG . . 4.470 4.208 3.387 4.467 . 0 0 "[ . 1 . 2 . 3 ]" 1
620 1 75 VAL H 1 75 VAL HB . . 4.200 2.881 2.422 3.317 . 0 0 "[ . 1 . 2 . 3 ]" 1
621 1 75 VAL H 1 75 VAL MG2 . . 4.250 3.007 2.135 3.384 . 0 0 "[ . 1 . 2 . 3 ]" 1
622 1 74 ARG HB3 1 75 VAL H . . 4.400 3.576 2.550 4.254 . 0 0 "[ . 1 . 2 . 3 ]" 1
623 1 106 ALA H 1 106 ALA MB . . 3.640 2.341 2.189 2.754 . 0 0 "[ . 1 . 2 . 3 ]" 1
624 1 102 ASP H 1 103 LEU H . . 5.480 4.445 4.117 4.636 . 0 0 "[ . 1 . 2 . 3 ]" 1
625 1 33 VAL H 1 34 GLY H . . 3.200 2.068 1.974 2.171 . 0 0 "[ . 1 . 2 . 3 ]" 1
626 1 33 VAL H 1 33 VAL MG2 . . 3.620 2.180 2.098 2.291 . 0 0 "[ . 1 . 2 . 3 ]" 1
627 1 102 ASP H 1 102 ASP HB2 . . 3.560 2.361 2.060 2.610 . 0 0 "[ . 1 . 2 . 3 ]" 1
628 1 47 GLU H 1 48 THR H . . 4.980 4.509 4.436 4.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
629 1 47 GLU H 1 61 MET HA . . 5.050 4.627 4.497 4.818 . 0 0 "[ . 1 . 2 . 3 ]" 1
630 1 47 GLU H 1 83 HIS HE1 . . 5.420 4.574 4.286 4.952 . 0 0 "[ . 1 . 2 . 3 ]" 1
631 1 49 PHE QE 1 51 ARG H . . 5.180 4.855 4.093 5.215 0.035 18 0 "[ . 1 . 2 . 3 ]" 1
632 1 49 PHE QD 1 51 ARG H . . 4.760 4.066 3.496 4.733 . 0 0 "[ . 1 . 2 . 3 ]" 1
633 1 51 ARG H 1 51 ARG HB3 . . 4.140 3.489 2.971 3.900 . 0 0 "[ . 1 . 2 . 3 ]" 1
634 1 44 GLU H 1 84 PHE QD . . 5.830 3.791 3.199 4.486 . 0 0 "[ . 1 . 2 . 3 ]" 1
635 1 44 GLU H 1 85 MET H . . 4.170 2.926 2.696 3.410 . 0 0 "[ . 1 . 2 . 3 ]" 1
636 1 21 THR MG 1 22 LEU H . . 4.490 2.795 2.204 4.292 . 0 0 "[ . 1 . 2 . 3 ]" 1
637 1 75 VAL MG1 1 76 GLU H . . 4.450 3.023 1.984 4.103 . 0 0 "[ . 1 . 2 . 3 ]" 1
638 1 112 LYS H 1 113 VAL H . . 4.870 4.496 4.356 4.652 . 0 0 "[ . 1 . 2 . 3 ]" 1
639 1 83 HIS H 1 83 HIS HE1 . . 5.760 4.656 4.537 4.900 . 0 0 "[ . 1 . 2 . 3 ]" 1
640 1 82 TYR QD 1 83 HIS H . . 4.240 3.606 3.494 4.167 . 0 0 "[ . 1 . 2 . 3 ]" 1
641 1 83 HIS H 1 83 HIS HD2 . . 5.740 4.769 4.659 4.907 . 0 0 "[ . 1 . 2 . 3 ]" 1
642 1 66 PHE QD 1 67 LEU H . . 3.920 3.120 2.986 3.211 . 0 0 "[ . 1 . 2 . 3 ]" 1
643 1 66 PHE H 1 67 LEU H . . 4.410 4.310 4.271 4.371 . 0 0 "[ . 1 . 2 . 3 ]" 1
644 1 34 GLY H 1 35 ALA H . . 4.530 4.367 4.305 4.416 . 0 0 "[ . 1 . 2 . 3 ]" 1
645 1 50 MET H 1 50 MET HB2 . . 3.720 2.921 2.244 3.845 0.125 6 0 "[ . 1 . 2 . 3 ]" 1
646 1 97 GLU H 1 117 VAL H . . 3.760 3.288 2.666 3.770 0.010 5 0 "[ . 1 . 2 . 3 ]" 1
647 1 49 PHE H 1 49 PHE QD . . 3.520 3.038 2.410 3.391 . 0 0 "[ . 1 . 2 . 3 ]" 1
648 1 17 ALA H 1 17 ALA MB . . 3.540 2.682 2.546 2.770 . 0 0 "[ . 1 . 2 . 3 ]" 1
649 1 49 PHE H 1 49 PHE QE . . 4.650 4.396 4.093 4.657 0.007 12 0 "[ . 1 . 2 . 3 ]" 1
650 1 48 THR HB 1 49 PHE H . . 4.760 4.086 3.779 4.267 . 0 0 "[ . 1 . 2 . 3 ]" 1
651 1 105 PHE H 1 105 PHE QD . . 3.900 2.868 2.477 3.279 . 0 0 "[ . 1 . 2 . 3 ]" 1
652 1 105 PHE H 1 109 LYS H . . 5.070 3.822 3.497 4.348 . 0 0 "[ . 1 . 2 . 3 ]" 1
653 1 105 PHE H 1 105 PHE HB2 . . 3.370 2.408 2.287 2.561 . 0 0 "[ . 1 . 2 . 3 ]" 1
654 1 18 ALA H 1 83 HIS HD2 . . 4.740 3.555 3.230 3.908 . 0 0 "[ . 1 . 2 . 3 ]" 1
655 1 57 LYS H 1 58 VAL H . . 4.420 4.466 4.202 4.528 0.108 22 0 "[ . 1 . 2 . 3 ]" 1
656 1 56 LYS H 1 57 LYS H . . 4.090 4.165 4.098 4.215 0.125 15 0 "[ . 1 . 2 . 3 ]" 1
657 1 57 LYS H 1 57 LYS HG2 . . 3.970 2.781 1.776 4.028 0.058 30 0 "[ . 1 . 2 . 3 ]" 1
658 1 3 PHE QD 1 5 GLU H . . 6.210 4.707 2.758 6.238 0.028 13 0 "[ . 1 . 2 . 3 ]" 1
659 1 62 ARG H 1 83 HIS HE1 . . 5.210 4.567 4.228 5.048 . 0 0 "[ . 1 . 2 . 3 ]" 1
660 1 24 ASN H 1 24 ASN HB2 . . 3.940 2.819 2.373 3.326 . 0 0 "[ . 1 . 2 . 3 ]" 1
661 1 24 ASN H 1 25 PRO HD3 . . 5.000 4.044 3.364 4.702 . 0 0 "[ . 1 . 2 . 3 ]" 1
662 1 24 ASN H 1 73 GLY H . . 4.980 4.203 3.349 4.553 . 0 0 "[ . 1 . 2 . 3 ]" 1
663 1 46 HIS HD2 1 64 VAL H . . 4.230 3.504 3.373 3.682 . 0 0 "[ . 1 . 2 . 3 ]" 1
664 1 63 PRO HB2 1 64 VAL H . . 4.060 2.942 2.793 3.213 . 0 0 "[ . 1 . 2 . 3 ]" 1
665 1 45 LEU MD2 1 64 VAL H . . 6.320 4.068 3.359 4.552 . 0 0 "[ . 1 . 2 . 3 ]" 1
666 1 84 PHE H 1 84 PHE QD . . 4.230 2.820 2.412 3.223 . 0 0 "[ . 1 . 2 . 3 ]" 1
667 1 18 ALA MB 1 84 PHE H . . 5.480 3.442 3.033 3.914 . 0 0 "[ . 1 . 2 . 3 ]" 1
668 1 84 PHE H 1 85 MET H . . 4.840 4.544 4.457 4.616 . 0 0 "[ . 1 . 2 . 3 ]" 1
669 1 49 PHE HZ 1 61 MET H . . 4.920 3.725 3.255 4.197 . 0 0 "[ . 1 . 2 . 3 ]" 1
670 1 49 PHE QE 1 61 MET H . . 4.150 3.281 2.730 3.781 . 0 0 "[ . 1 . 2 . 3 ]" 1
671 1 49 PHE QD 1 61 MET H . . 4.830 4.546 4.087 4.858 0.028 14 0 "[ . 1 . 2 . 3 ]" 1
672 1 42 ARG H 1 43 VAL H . . 4.250 4.255 3.608 4.359 0.109 27 0 "[ . 1 . 2 . 3 ]" 1
673 1 34 GLY H 1 104 LEU H . . 4.310 3.332 3.190 3.439 . 0 0 "[ . 1 . 2 . 3 ]" 1
674 1 48 THR H 1 49 PHE H . . 4.740 4.300 4.152 4.464 . 0 0 "[ . 1 . 2 . 3 ]" 1
675 1 48 THR H 1 82 TYR QE . . 5.150 4.892 4.282 5.171 0.021 5 0 "[ . 1 . 2 . 3 ]" 1
676 1 46 HIS HE1 1 85 MET H . . 5.360 5.073 4.462 5.361 0.001 26 0 "[ . 1 . 2 . 3 ]" 1
677 1 46 HIS HE1 1 85 MET HB2 . . 4.650 2.624 2.174 2.825 . 0 0 "[ . 1 . 2 . 3 ]" 1
678 1 54 GLU H 1 56 LYS H . . 5.290 4.150 2.194 4.469 . 0 0 "[ . 1 . 2 . 3 ]" 1
679 1 55 GLY H 1 56 LYS H . . 3.210 2.432 2.232 2.646 . 0 0 "[ . 1 . 2 . 3 ]" 1
680 1 54 GLU HA 1 56 LYS H . . 5.120 4.528 4.051 4.826 . 0 0 "[ . 1 . 2 . 3 ]" 1
681 1 33 VAL HB 1 34 GLY H . . 4.520 4.170 4.072 4.256 . 0 0 "[ . 1 . 2 . 3 ]" 1
682 1 34 GLY H 1 45 LEU MD1 . . 6.250 5.216 4.562 5.554 . 0 0 "[ . 1 . 2 . 3 ]" 1
683 1 24 ASN HD22 1 72 LYS H . . 5.430 4.263 3.703 4.803 . 0 0 "[ . 1 . 2 . 3 ]" 1
684 1 27 ASP H 1 28 LEU H . . 3.150 2.319 1.786 2.659 . 0 0 "[ . 1 . 2 . 3 ]" 1
685 1 28 LEU H 1 28 LEU HB3 . . 3.830 3.194 2.904 3.837 0.007 23 0 "[ . 1 . 2 . 3 ]" 1
686 1 47 GLU H 1 82 TYR QD . . 5.020 4.377 3.971 5.083 0.063 21 0 "[ . 1 . 2 . 3 ]" 1
687 1 48 THR H 1 82 TYR QD . . 4.610 4.495 2.851 4.658 0.048 17 0 "[ . 1 . 2 . 3 ]" 1
688 1 31 ARG H 1 105 PHE QE . . 5.760 4.322 3.737 5.399 . 0 0 "[ . 1 . 2 . 3 ]" 1
689 1 105 PHE H 1 105 PHE QE . . 5.670 4.869 4.556 5.179 . 0 0 "[ . 1 . 2 . 3 ]" 1
690 1 30 LEU HB2 1 105 PHE QE . . 4.530 3.939 3.550 4.568 0.038 1 0 "[ . 1 . 2 . 3 ]" 1
691 1 30 LEU MD1 1 105 PHE QE . . 5.110 3.329 2.181 4.998 . 0 0 "[ . 1 . 2 . 3 ]" 1
692 1 105 PHE QD 1 109 LYS HB3 . . 4.730 3.469 2.725 4.064 . 0 0 "[ . 1 . 2 . 3 ]" 1
693 1 105 PHE QD 1 106 ALA H . . 4.740 3.825 3.461 4.333 . 0 0 "[ . 1 . 2 . 3 ]" 1
694 1 33 VAL H 1 105 PHE QD . . 4.910 4.543 3.803 4.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
695 1 104 LEU H 1 105 PHE QD . . 5.540 4.910 4.072 5.294 . 0 0 "[ . 1 . 2 . 3 ]" 1
696 1 82 TYR QE 1 83 HIS H . . 5.720 5.759 5.721 5.829 0.109 27 0 "[ . 1 . 2 . 3 ]" 1
697 1 49 PHE QE 1 62 ARG H . . 4.400 3.600 2.975 4.271 . 0 0 "[ . 1 . 2 . 3 ]" 1
698 1 49 PHE QE 1 51 ARG HB3 . . 5.450 3.580 2.160 5.173 . 0 0 "[ . 1 . 2 . 3 ]" 1
699 1 84 PHE QE 1 85 MET H . . 5.920 5.864 5.518 5.975 0.055 25 0 "[ . 1 . 2 . 3 ]" 1
700 1 49 PHE QD 1 50 MET H . . 3.810 3.146 2.771 3.509 . 0 0 "[ . 1 . 2 . 3 ]" 1
701 1 49 PHE QD 1 62 ARG H . . 4.390 3.858 3.144 4.349 . 0 0 "[ . 1 . 2 . 3 ]" 1
702 1 48 THR H 1 49 PHE QD . . 5.610 4.478 3.700 5.362 . 0 0 "[ . 1 . 2 . 3 ]" 1
703 1 48 THR MG 1 49 PHE QD . . 5.610 4.642 4.195 4.992 . 0 0 "[ . 1 . 2 . 3 ]" 1
704 1 31 ARG HG3 1 66 PHE QD . . 4.750 2.510 2.325 3.287 . 0 0 "[ . 1 . 2 . 3 ]" 1
705 1 84 PHE QD 1 103 LEU HG . . 6.270 5.655 4.845 6.274 0.004 21 0 "[ . 1 . 2 . 3 ]" 1
706 1 20 LEU MD2 1 84 PHE QD . . 4.570 2.938 2.139 4.572 0.002 11 0 "[ . 1 . 2 . 3 ]" 1
707 1 84 PHE QD 1 101 LEU MD2 . . 5.600 3.533 2.340 5.344 . 0 0 "[ . 1 . 2 . 3 ]" 1
708 1 46 HIS H 1 84 PHE QD . . 5.100 4.679 4.239 5.089 . 0 0 "[ . 1 . 2 . 3 ]" 1
709 1 83 HIS HD2 1 85 MET ME . . 5.850 4.353 3.178 4.764 . 0 0 "[ . 1 . 2 . 3 ]" 1
710 1 46 HIS HB3 1 83 HIS HD2 . . 5.150 4.973 4.754 5.188 0.038 17 0 "[ . 1 . 2 . 3 ]" 1
711 1 66 PHE H 1 66 PHE QD . . 4.200 3.433 3.353 3.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
712 1 66 PHE H 1 66 PHE QE . . 5.060 4.724 4.609 4.832 . 0 0 "[ . 1 . 2 . 3 ]" 1
713 1 46 HIS H 1 46 HIS HD2 . . 5.340 3.662 3.463 3.763 . 0 0 "[ . 1 . 2 . 3 ]" 1
714 1 45 LEU H 1 46 HIS HD2 . . 5.150 3.880 3.177 4.747 . 0 0 "[ . 1 . 2 . 3 ]" 1
715 1 46 HIS HD2 1 47 GLU H . . 4.500 4.519 4.402 4.572 0.072 30 0 "[ . 1 . 2 . 3 ]" 1
716 1 46 HIS HD2 1 63 PRO HB3 . . 4.160 2.465 2.227 2.695 . 0 0 "[ . 1 . 2 . 3 ]" 1
717 1 49 PHE QD 1 61 MET HA . . 3.900 3.244 2.707 3.739 . 0 0 "[ . 1 . 2 . 3 ]" 1
718 1 61 MET HA 1 62 ARG H . . 3.160 2.174 1.997 2.320 . 0 0 "[ . 1 . 2 . 3 ]" 1
719 1 61 MET HA 1 83 HIS HE1 . . 4.800 4.284 4.041 4.507 . 0 0 "[ . 1 . 2 . 3 ]" 1
720 1 49 PHE QE 1 61 MET HA . . 4.320 3.295 2.727 3.864 . 0 0 "[ . 1 . 2 . 3 ]" 1
721 1 48 THR MG 1 61 MET HA . . 5.110 3.918 3.530 4.184 . 0 0 "[ . 1 . 2 . 3 ]" 1
722 1 37 THR HG1 1 101 LEU MD2 . . 6.600 4.685 2.278 5.974 . 0 0 "[ . 1 . 2 . 3 ]" 1
723 1 37 THR HG1 1 99 VAL MG1 . . 4.870 2.460 2.056 3.056 . 0 0 "[ . 1 . 2 . 3 ]" 1
724 1 105 PHE HA 1 105 PHE QE . . 5.220 4.606 4.372 4.891 . 0 0 "[ . 1 . 2 . 3 ]" 1
725 1 34 GLY H 1 105 PHE HA . . 4.880 4.490 4.186 4.861 . 0 0 "[ . 1 . 2 . 3 ]" 1
726 1 105 PHE HA 1 105 PHE QD . . 3.740 2.719 2.325 3.079 . 0 0 "[ . 1 . 2 . 3 ]" 1
727 1 105 PHE HA 1 106 ALA MB . . 4.560 4.015 3.904 4.127 . 0 0 "[ . 1 . 2 . 3 ]" 1
728 1 33 VAL MG2 1 105 PHE HA . . 3.990 3.136 2.743 3.533 . 0 0 "[ . 1 . 2 . 3 ]" 1
729 1 47 GLU H 1 63 PRO HA . . 3.840 3.514 3.397 3.590 . 0 0 "[ . 1 . 2 . 3 ]" 1
730 1 63 PRO HA 1 64 VAL H . . 3.080 2.292 2.217 2.384 . 0 0 "[ . 1 . 2 . 3 ]" 1
731 1 46 HIS HD2 1 63 PRO HA . . 3.460 2.040 1.971 2.123 . 0 0 "[ . 1 . 2 . 3 ]" 1
732 1 47 GLU HB2 1 82 TYR HA . . 4.780 4.169 3.212 4.563 . 0 0 "[ . 1 . 2 . 3 ]" 1
733 1 82 TYR HA 1 82 TYR QE . . 4.680 4.527 4.296 4.676 . 0 0 "[ . 1 . 2 . 3 ]" 1
734 1 82 TYR HA 1 83 HIS H . . 3.180 2.177 2.081 2.265 . 0 0 "[ . 1 . 2 . 3 ]" 1
735 1 48 THR H 1 82 TYR HA . . 4.200 3.566 2.840 4.093 . 0 0 "[ . 1 . 2 . 3 ]" 1
736 1 82 TYR HA 1 82 TYR QD . . 3.470 2.748 2.437 3.005 . 0 0 "[ . 1 . 2 . 3 ]" 1
737 1 46 HIS HA 1 63 PRO HB2 . . 4.570 4.626 4.592 4.649 0.079 22 0 "[ . 1 . 2 . 3 ]" 1
738 1 46 HIS HA 1 83 HIS HE1 . . 5.250 5.265 5.193 5.291 0.041 16 0 "[ . 1 . 2 . 3 ]" 1
739 1 46 HIS HA 1 47 GLU H . . 3.120 2.137 2.068 2.270 . 0 0 "[ . 1 . 2 . 3 ]" 1
740 1 46 HIS HA 1 46 HIS HD2 . . 3.610 2.598 2.448 2.677 . 0 0 "[ . 1 . 2 . 3 ]" 1
741 1 46 HIS HA 1 64 VAL H . . 3.620 2.940 2.800 3.190 . 0 0 "[ . 1 . 2 . 3 ]" 1
742 1 24 ASN H 1 74 ARG HA . . 3.610 3.245 2.257 3.634 0.024 9 0 "[ . 1 . 2 . 3 ]" 1
743 1 17 ALA HA 1 18 ALA H . . 2.720 2.382 2.176 2.514 . 0 0 "[ . 1 . 2 . 3 ]" 1
744 1 17 ALA HA 1 85 MET ME . . 3.960 3.877 2.776 3.988 0.028 11 0 "[ . 1 . 2 . 3 ]" 1
745 1 17 ALA HA 1 85 MET H . . 4.600 4.656 4.578 4.706 0.106 22 0 "[ . 1 . 2 . 3 ]" 1
746 1 17 ALA HA 1 83 HIS HD2 . . 3.490 3.498 3.300 3.574 0.084 28 0 "[ . 1 . 2 . 3 ]" 1
747 1 105 PHE QE 1 110 VAL HA . . 5.030 4.621 3.665 5.050 0.020 15 0 "[ . 1 . 2 . 3 ]" 1
748 1 103 LEU H 1 110 VAL HA . . 5.410 4.505 4.193 4.803 . 0 0 "[ . 1 . 2 . 3 ]" 1
749 1 105 PHE QD 1 110 VAL HA . . 4.210 3.218 2.382 4.058 . 0 0 "[ . 1 . 2 . 3 ]" 1
750 1 7 TRP HA 1 8 VAL H . . 2.990 2.358 2.218 2.604 . 0 0 "[ . 1 . 2 . 3 ]" 1
751 1 35 ALA HA 1 104 LEU H . . 3.670 2.630 2.432 2.925 . 0 0 "[ . 1 . 2 . 3 ]" 1
752 1 35 ALA HA 1 84 PHE QE . . 5.800 4.504 4.139 4.774 . 0 0 "[ . 1 . 2 . 3 ]" 1
753 1 35 ALA HA 1 36 ARG H . . 3.090 2.535 2.398 2.713 . 0 0 "[ . 1 . 2 . 3 ]" 1
754 1 37 THR HA 1 102 ASP H . . 4.150 3.473 3.026 3.914 . 0 0 "[ . 1 . 2 . 3 ]" 1
755 1 24 ASN HA 1 30 LEU MD2 . . 4.690 4.102 2.049 4.744 0.054 1 0 "[ . 1 . 2 . 3 ]" 1
756 1 24 ASN HA 1 30 LEU MD1 . . 4.690 2.968 2.009 4.724 0.034 15 0 "[ . 1 . 2 . 3 ]" 1
757 1 68 GLU HA 1 69 VAL H . . 2.980 2.230 2.164 2.305 . 0 0 "[ . 1 . 2 . 3 ]" 1
758 1 66 PHE QD 1 68 GLU HA . . 4.720 3.819 3.631 4.135 . 0 0 "[ . 1 . 2 . 3 ]" 1
759 1 43 VAL HA 1 43 VAL MG2 . . 3.590 2.278 2.181 2.361 . 0 0 "[ . 1 . 2 . 3 ]" 1
760 1 66 PHE QE 1 68 GLU HA . . 6.070 4.577 4.244 5.013 . 0 0 "[ . 1 . 2 . 3 ]" 1
761 1 43 VAL HA 1 43 VAL MG1 . . 3.670 3.271 3.248 3.293 . 0 0 "[ . 1 . 2 . 3 ]" 1
762 1 48 THR HA 1 49 PHE H . . 2.950 2.260 2.136 2.348 . 0 0 "[ . 1 . 2 . 3 ]" 1
763 1 48 THR HA 1 83 HIS HE1 . . 4.770 3.975 3.466 4.288 . 0 0 "[ . 1 . 2 . 3 ]" 1
764 1 48 THR HA 1 49 PHE QD . . 4.060 3.406 2.606 4.010 . 0 0 "[ . 1 . 2 . 3 ]" 1
765 1 48 THR HA 1 48 THR MG . . 3.480 2.488 2.350 2.615 . 0 0 "[ . 1 . 2 . 3 ]" 1
766 1 48 THR HA 1 49 PHE QE . . 5.500 4.699 3.995 5.403 . 0 0 "[ . 1 . 2 . 3 ]" 1
767 1 115 LEU HA 1 115 LEU MD2 . . 3.520 3.088 2.220 3.588 0.068 19 0 "[ . 1 . 2 . 3 ]" 1
768 1 119 ALA HA 1 120 ARG H . . 2.900 2.331 2.044 2.636 . 0 0 "[ . 1 . 2 . 3 ]" 1
769 1 112 LYS HA 1 113 VAL H . . 2.930 2.191 2.069 2.342 . 0 0 "[ . 1 . 2 . 3 ]" 1
770 1 46 HIS HE1 1 85 MET HA . . 4.790 4.861 4.839 4.891 0.101 27 0 "[ . 1 . 2 . 3 ]" 1
771 1 45 LEU MD2 1 66 PHE HA . . 4.490 2.283 2.009 3.028 . 0 0 "[ . 1 . 2 . 3 ]" 1
772 1 66 PHE HA 1 66 PHE QD . . 3.990 3.722 3.692 3.751 . 0 0 "[ . 1 . 2 . 3 ]" 1
773 1 45 LEU MD1 1 66 PHE HA . . 4.610 3.909 2.165 4.447 . 0 0 "[ . 1 . 2 . 3 ]" 1
774 1 66 PHE HA 1 66 PHE QE . . 5.700 5.628 5.580 5.667 . 0 0 "[ . 1 . 2 . 3 ]" 1
775 1 116 PRO HA 1 117 VAL H . . 2.400 2.300 2.181 2.409 0.009 29 0 "[ . 1 . 2 . 3 ]" 1
776 1 52 GLU HA 1 53 VAL H . . 2.510 2.241 2.121 2.526 0.016 14 0 "[ . 1 . 2 . 3 ]" 1
777 1 31 ARG HA 1 105 PHE QD . . 5.510 4.123 3.741 5.573 0.063 1 0 "[ . 1 . 2 . 3 ]" 1
778 1 52 GLU HA 1 52 GLU HG3 . . 3.940 2.692 2.440 3.216 . 0 0 "[ . 1 . 2 . 3 ]" 1
779 1 31 ARG HA 1 66 PHE QE . . 5.720 5.435 5.271 5.643 . 0 0 "[ . 1 . 2 . 3 ]" 1
780 1 31 ARG HA 1 66 PHE QD . . 4.360 4.040 3.805 4.267 . 0 0 "[ . 1 . 2 . 3 ]" 1
781 1 31 ARG HA 1 32 LEU H . . 3.110 2.133 2.025 2.199 . 0 0 "[ . 1 . 2 . 3 ]" 1
782 1 98 GLU HA 1 99 VAL H . . 2.600 2.118 2.017 2.285 . 0 0 "[ . 1 . 2 . 3 ]" 1
783 1 49 PHE HA 1 50 MET H . . 2.760 2.405 2.234 2.605 . 0 0 "[ . 1 . 2 . 3 ]" 1
784 1 49 PHE HA 1 49 PHE QD . . 3.990 3.775 3.750 3.802 . 0 0 "[ . 1 . 2 . 3 ]" 1
785 1 33 VAL HA 1 45 LEU MD2 . . 5.210 3.415 3.028 4.025 . 0 0 "[ . 1 . 2 . 3 ]" 1
786 1 33 VAL HA 1 66 PHE QD . . 4.330 4.387 4.352 4.424 0.094 9 0 "[ . 1 . 2 . 3 ]" 1
787 1 33 VAL HA 1 66 PHE HB2 . . 4.090 2.817 2.676 3.056 . 0 0 "[ . 1 . 2 . 3 ]" 1
788 1 33 VAL HA 1 33 VAL HB . . 2.840 2.444 2.388 2.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
789 1 33 VAL HA 1 45 LEU MD1 . . 5.350 5.075 3.659 5.388 0.038 10 0 "[ . 1 . 2 . 3 ]" 1
790 1 28 LEU HA 1 28 LEU HG . . 3.740 3.603 2.537 3.772 0.032 10 0 "[ . 1 . 2 . 3 ]" 1
791 1 84 PHE HA 1 85 MET H . . 3.330 2.230 2.147 2.333 . 0 0 "[ . 1 . 2 . 3 ]" 1
792 1 22 LEU HA 1 23 GLU H . . 3.320 2.258 2.043 2.812 . 0 0 "[ . 1 . 2 . 3 ]" 1
793 1 84 PHE HA 1 84 PHE QD . . 3.920 2.693 2.418 2.958 . 0 0 "[ . 1 . 2 . 3 ]" 1
794 1 3 PHE HA 1 3 PHE QD . . 4.130 3.283 2.209 3.788 . 0 0 "[ . 1 . 2 . 3 ]" 1
795 1 111 LEU HA 1 112 LYS H . . 2.890 2.316 2.080 2.677 . 0 0 "[ . 1 . 2 . 3 ]" 1
796 1 23 GLU HA 1 24 ASN H . . 3.410 2.209 2.029 2.416 . 0 0 "[ . 1 . 2 . 3 ]" 1
797 1 104 LEU HA 1 105 PHE H . . 3.090 2.116 2.063 2.169 . 0 0 "[ . 1 . 2 . 3 ]" 1
798 1 104 LEU HA 1 105 PHE QD . . 4.410 3.924 3.282 4.415 0.005 18 0 "[ . 1 . 2 . 3 ]" 1
799 1 64 VAL HA 1 66 PHE H . . 5.500 4.406 4.128 4.650 . 0 0 "[ . 1 . 2 . 3 ]" 1
800 1 37 THR HG1 1 101 LEU HA . . 5.330 3.430 3.134 3.932 . 0 0 "[ . 1 . 2 . 3 ]" 1
801 1 64 VAL HA 1 64 VAL MG1 . . 3.420 2.288 2.147 2.370 . 0 0 "[ . 1 . 2 . 3 ]" 1
802 1 101 LEU HA 1 102 ASP H . . 3.030 2.095 2.012 2.291 . 0 0 "[ . 1 . 2 . 3 ]" 1
803 1 64 VAL HA 1 64 VAL HB . . 2.940 2.520 2.447 2.810 . 0 0 "[ . 1 . 2 . 3 ]" 1
804 1 63 PRO HA 1 64 VAL HA . . 5.100 4.511 4.451 4.552 . 0 0 "[ . 1 . 2 . 3 ]" 1
805 1 76 GLU HA 1 76 GLU HG2 . . 4.000 3.591 2.443 4.118 0.118 23 0 "[ . 1 . 2 . 3 ]" 1
806 1 30 LEU HA 1 31 ARG H . . 2.900 2.098 1.966 2.309 . 0 0 "[ . 1 . 2 . 3 ]" 1
807 1 44 GLU HA 1 45 LEU H . . 2.920 2.303 2.100 2.514 . 0 0 "[ . 1 . 2 . 3 ]" 1
808 1 30 LEU HA 1 30 LEU MD1 . . 4.030 3.307 2.179 3.894 . 0 0 "[ . 1 . 2 . 3 ]" 1
809 1 30 LEU HA 1 30 LEU MD2 . . 4.030 2.489 2.073 3.909 . 0 0 "[ . 1 . 2 . 3 ]" 1
810 1 57 LYS HA 1 58 VAL H . . 2.560 2.082 2.001 2.190 . 0 0 "[ . 1 . 2 . 3 ]" 1
811 1 42 ARG HA 1 42 ARG QD . . 4.990 3.895 2.040 4.607 . 0 0 "[ . 1 . 2 . 3 ]" 1
812 1 42 ARG HA 1 43 VAL H . . 2.770 2.198 1.993 2.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
813 1 49 PHE QE 1 51 ARG HA . . 4.670 4.662 4.409 4.736 0.066 24 0 "[ . 1 . 2 . 3 ]" 1
814 1 49 PHE QD 1 51 ARG HA . . 5.030 4.156 3.924 4.532 . 0 0 "[ . 1 . 2 . 3 ]" 1
815 1 51 ARG HA 1 52 GLU H . . 2.720 2.330 2.160 2.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
816 1 70 PRO HA 1 71 PRO HD2 . . 3.470 2.464 2.388 2.569 . 0 0 "[ . 1 . 2 . 3 ]" 1
817 1 70 PRO HA 1 71 PRO HD3 . . 3.350 2.561 2.433 2.744 . 0 0 "[ . 1 . 2 . 3 ]" 1
818 1 56 LYS HA 1 57 LYS H . . 2.480 2.092 1.935 2.250 . 0 0 "[ . 1 . 2 . 3 ]" 1
819 1 47 GLU HA 1 83 HIS HE1 . . 5.570 4.560 4.071 4.975 . 0 0 "[ . 1 . 2 . 3 ]" 1
820 1 47 GLU HA 1 82 TYR H . . 5.030 4.375 4.001 4.950 . 0 0 "[ . 1 . 2 . 3 ]" 1
821 1 47 GLU HA 1 48 THR HB . . 4.690 4.565 4.277 4.713 0.023 25 0 "[ . 1 . 2 . 3 ]" 1
822 1 47 GLU HA 1 48 THR H . . 3.100 2.455 2.229 2.661 . 0 0 "[ . 1 . 2 . 3 ]" 1
823 1 47 GLU HA 1 82 TYR QD . . 3.480 2.739 2.270 3.489 0.009 20 0 "[ . 1 . 2 . 3 ]" 1
824 1 47 GLU HA 1 82 TYR QE . . 4.450 3.751 3.306 4.489 0.039 20 0 "[ . 1 . 2 . 3 ]" 1
825 1 77 LEU MD2 1 83 HIS HA . . 4.210 2.199 1.955 2.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
826 1 69 VAL HA 1 69 VAL MG2 . . 3.560 2.483 2.261 2.659 . 0 0 "[ . 1 . 2 . 3 ]" 1
827 1 69 VAL HA 1 69 VAL MG1 . . 3.260 2.494 2.362 2.768 . 0 0 "[ . 1 . 2 . 3 ]" 1
828 1 75 VAL HA 1 75 VAL MG1 . . 3.530 2.421 2.233 2.539 . 0 0 "[ . 1 . 2 . 3 ]" 1
829 1 67 LEU HA 1 68 GLU H . . 2.710 2.328 2.275 2.436 . 0 0 "[ . 1 . 2 . 3 ]" 1
830 1 66 PHE QE 1 67 LEU HA . . 4.450 4.473 4.430 4.494 0.044 27 0 "[ . 1 . 2 . 3 ]" 1
831 1 67 LEU HA 1 82 TYR QE . . 5.520 5.378 4.899 5.546 0.026 12 0 "[ . 1 . 2 . 3 ]" 1
832 1 66 PHE QD 1 67 LEU HA . . 4.210 3.255 3.149 3.430 . 0 0 "[ . 1 . 2 . 3 ]" 1
833 1 66 PHE H 1 67 LEU HA . . 5.190 4.760 4.655 4.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
834 1 67 LEU HA 1 67 LEU MD1 . . 4.080 3.854 3.791 3.926 . 0 0 "[ . 1 . 2 . 3 ]" 1
835 1 67 LEU HA 1 67 LEU MD2 . . 3.660 2.313 2.242 2.376 . 0 0 "[ . 1 . 2 . 3 ]" 1
836 1 65 PRO HA 1 66 PHE QD . . 4.260 4.294 4.276 4.304 0.044 15 0 "[ . 1 . 2 . 3 ]" 1
837 1 109 LYS HA 1 110 VAL H . . 2.700 2.149 2.046 2.292 . 0 0 "[ . 1 . 2 . 3 ]" 1
838 1 105 PHE QD 1 109 LYS HA . . 6.110 5.198 4.613 5.687 . 0 0 "[ . 1 . 2 . 3 ]" 1
839 1 109 LYS HA 1 109 LYS HG3 . . 3.890 2.517 2.200 2.855 . 0 0 "[ . 1 . 2 . 3 ]" 1
840 1 37 THR HB 1 101 LEU MD2 . . 5.150 3.681 2.127 4.846 . 0 0 "[ . 1 . 2 . 3 ]" 1
841 1 37 THR HB 1 101 LEU MD1 . . 5.150 2.736 2.083 5.060 . 0 0 "[ . 1 . 2 . 3 ]" 1
842 1 45 LEU HA 1 45 LEU MD1 . . 4.240 2.607 2.140 4.042 . 0 0 "[ . 1 . 2 . 3 ]" 1
843 1 45 LEU HA 1 85 MET H . . 4.150 3.439 2.802 3.758 . 0 0 "[ . 1 . 2 . 3 ]" 1
844 1 45 LEU HA 1 46 HIS H . . 3.040 2.106 1.966 2.183 . 0 0 "[ . 1 . 2 . 3 ]" 1
845 1 45 LEU HA 1 84 PHE QE . . 5.080 4.097 3.607 4.938 . 0 0 "[ . 1 . 2 . 3 ]" 1
846 1 45 LEU HA 1 84 PHE QD . . 4.080 2.983 2.454 3.494 . 0 0 "[ . 1 . 2 . 3 ]" 1
847 1 45 LEU HA 1 46 HIS HD2 . . 5.530 4.225 3.990 4.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
848 1 45 LEU HA 1 45 LEU MD2 . . 4.280 3.832 3.649 3.937 . 0 0 "[ . 1 . 2 . 3 ]" 1
849 1 58 VAL HA 1 58 VAL MG2 . . 3.480 2.754 2.260 3.299 . 0 0 "[ . 1 . 2 . 3 ]" 1
850 1 26 GLY HA2 1 27 ASP H . . 3.210 2.376 1.936 2.574 . 0 0 "[ . 1 . 2 . 3 ]" 1
851 1 58 VAL HA 1 58 VAL MG1 . . 3.480 2.668 2.314 3.287 . 0 0 "[ . 1 . 2 . 3 ]" 1
852 1 60 GLY HA2 1 61 MET H . . 3.180 2.515 2.363 2.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
853 1 49 PHE QE 1 60 GLY HA2 . . 4.610 4.305 4.129 4.548 . 0 0 "[ . 1 . 2 . 3 ]" 1
854 1 49 PHE HZ 1 60 GLY HA2 . . 4.530 4.513 4.323 4.601 0.071 11 0 "[ . 1 . 2 . 3 ]" 1
855 1 34 GLY HA3 1 84 PHE QE . . 4.940 4.489 3.866 4.966 0.026 11 0 "[ . 1 . 2 . 3 ]" 1
856 1 8 VAL HA 1 9 ARG H . . 3.020 2.235 2.129 2.327 . 0 0 "[ . 1 . 2 . 3 ]" 1
857 1 32 LEU HA 1 105 PHE QE . . 4.660 3.856 3.660 4.289 . 0 0 "[ . 1 . 2 . 3 ]" 1
858 1 32 LEU HA 1 105 PHE QD . . 3.490 2.853 2.396 3.094 . 0 0 "[ . 1 . 2 . 3 ]" 1
859 1 33 VAL MG2 1 106 ALA HA . . 3.610 3.157 2.474 3.615 0.005 21 0 "[ . 1 . 2 . 3 ]" 1
860 1 103 LEU HA 1 105 PHE QE . . 5.260 4.892 4.466 5.250 . 0 0 "[ . 1 . 2 . 3 ]" 1
861 1 84 PHE HZ 1 103 LEU HA . . 5.180 4.448 3.680 5.092 . 0 0 "[ . 1 . 2 . 3 ]" 1
862 1 84 PHE QE 1 103 LEU HA . . 5.310 4.804 4.293 5.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
863 1 53 VAL HA 1 54 GLU H . . 3.060 2.308 2.120 3.183 0.123 18 0 "[ . 1 . 2 . 3 ]" 1
864 1 103 LEU HA 1 104 LEU H . . 3.130 2.184 2.093 2.270 . 0 0 "[ . 1 . 2 . 3 ]" 1
865 1 53 VAL HA 1 53 VAL MG2 . . 3.550 2.685 2.348 3.293 . 0 0 "[ . 1 . 2 . 3 ]" 1
866 1 29 PRO HA 1 30 LEU H . . 3.240 2.232 2.084 2.407 . 0 0 "[ . 1 . 2 . 3 ]" 1
867 1 99 VAL HA 1 99 VAL MG1 . . 3.380 2.520 2.194 2.683 . 0 0 "[ . 1 . 2 . 3 ]" 1
868 1 24 ASN HD21 1 29 PRO HA . . 4.680 2.945 2.437 4.376 . 0 0 "[ . 1 . 2 . 3 ]" 1
869 1 29 PRO HA 1 71 PRO HD3 . . 4.050 2.372 2.187 2.518 . 0 0 "[ . 1 . 2 . 3 ]" 1
870 1 71 PRO HA 1 72 LYS H . . 2.930 2.169 2.114 2.271 . 0 0 "[ . 1 . 2 . 3 ]" 1
871 1 69 VAL H 1 70 PRO HD3 . . 5.780 4.609 4.487 4.795 . 0 0 "[ . 1 . 2 . 3 ]" 1
872 1 34 GLY HA2 1 84 PHE QE . . 4.810 3.028 2.282 3.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
873 1 34 GLY HA2 1 35 ALA H . . 3.170 2.558 2.463 2.624 . 0 0 "[ . 1 . 2 . 3 ]" 1
874 1 34 GLY HA2 1 84 PHE HZ . . 5.470 4.692 3.670 5.502 0.032 14 0 "[ . 1 . 2 . 3 ]" 1
875 1 26 GLY HA3 1 27 ASP H . . 3.210 2.601 2.441 3.184 . 0 0 "[ . 1 . 2 . 3 ]" 1
876 1 54 GLU HA 1 55 GLY H . . 3.060 3.062 2.823 3.165 0.105 3 0 "[ . 1 . 2 . 3 ]" 1
877 1 81 GLY HA2 1 82 TYR QD . . 5.410 4.828 3.505 5.208 . 0 0 "[ . 1 . 2 . 3 ]" 1
878 1 81 GLY HA2 1 82 TYR H . . 3.470 3.400 3.143 3.614 0.144 16 0 "[ . 1 . 2 . 3 ]" 1
879 1 28 LEU HB3 1 29 PRO HD2 . . 4.340 3.449 2.066 3.824 . 0 0 "[ . 1 . 2 . 3 ]" 1
880 1 48 THR HB 1 82 TYR H . . 5.050 4.572 3.921 5.063 0.013 18 0 "[ . 1 . 2 . 3 ]" 1
881 1 65 PRO HD2 1 66 PHE H . . 3.730 2.505 2.431 2.571 . 0 0 "[ . 1 . 2 . 3 ]" 1
882 1 46 HIS HD2 1 63 PRO HD2 . . 6.170 5.438 5.029 5.629 . 0 0 "[ . 1 . 2 . 3 ]" 1
883 1 46 HIS HD2 1 63 PRO HD3 . . 6.170 4.363 3.753 4.684 . 0 0 "[ . 1 . 2 . 3 ]" 1
884 1 69 VAL H 1 70 PRO HD2 . . 5.780 4.869 4.766 5.004 . 0 0 "[ . 1 . 2 . 3 ]" 1
885 1 73 GLY HA2 1 74 ARG H . . 3.140 2.391 2.057 2.707 . 0 0 "[ . 1 . 2 . 3 ]" 1
886 1 66 PHE HB2 1 67 LEU H . . 3.680 2.320 2.223 2.360 . 0 0 "[ . 1 . 2 . 3 ]" 1
887 1 105 PHE HB3 1 106 ALA H . . 3.820 3.039 2.540 3.720 . 0 0 "[ . 1 . 2 . 3 ]" 1
888 1 105 PHE H 1 105 PHE HB3 . . 4.000 3.644 3.568 3.717 . 0 0 "[ . 1 . 2 . 3 ]" 1
889 1 49 PHE HZ 1 51 ARG QD . . 5.190 4.390 2.932 5.239 0.049 8 0 "[ . 1 . 2 . 3 ]" 1
890 1 49 PHE QE 1 51 ARG QD . . 4.820 3.121 2.167 4.123 . 0 0 "[ . 1 . 2 . 3 ]" 1
891 1 49 PHE HB2 1 50 MET H . . 3.390 2.206 2.023 2.363 . 0 0 "[ . 1 . 2 . 3 ]" 1
892 1 57 LYS H 1 57 LYS QE . . 4.870 3.578 1.657 4.878 0.008 10 0 "[ . 1 . 2 . 3 ]" 1
893 1 82 TYR H 1 82 TYR HB3 . . 3.900 3.734 3.573 3.957 0.057 16 0 "[ . 1 . 2 . 3 ]" 1
894 1 105 PHE HB2 1 109 LYS H . . 4.270 3.625 2.969 4.001 . 0 0 "[ . 1 . 2 . 3 ]" 1
895 1 105 PHE HB2 1 109 LYS HB2 . . 3.540 2.407 2.080 3.669 0.129 22 0 "[ . 1 . 2 . 3 ]" 1
896 1 82 TYR H 1 82 TYR HB2 . . 3.900 2.617 2.305 2.974 . 0 0 "[ . 1 . 2 . 3 ]" 1
897 1 49 PHE HZ 1 60 GLY HA3 . . 4.270 2.973 2.734 3.116 . 0 0 "[ . 1 . 2 . 3 ]" 1
898 1 49 PHE QE 1 60 GLY HA3 . . 3.920 2.903 2.525 3.285 . 0 0 "[ . 1 . 2 . 3 ]" 1
899 1 49 PHE QD 1 60 GLY HA3 . . 4.630 3.871 3.623 4.357 . 0 0 "[ . 1 . 2 . 3 ]" 1
900 1 27 ASP H 1 27 ASP HB2 . . 3.530 2.252 2.077 3.576 0.046 29 0 "[ . 1 . 2 . 3 ]" 1
901 1 83 HIS HB2 1 84 PHE H . . 4.010 2.674 2.374 2.965 . 0 0 "[ . 1 . 2 . 3 ]" 1
902 1 66 PHE HB3 1 67 LEU H . . 3.680 3.694 3.629 3.709 0.029 8 0 "[ . 1 . 2 . 3 ]" 1
903 1 61 MET H 1 61 MET HG3 . . 4.870 4.784 2.282 4.904 0.034 17 0 "[ . 1 . 2 . 3 ]" 1
904 1 49 PHE HB3 1 50 MET H . . 3.550 3.594 3.563 3.625 0.075 6 0 "[ . 1 . 2 . 3 ]" 1
905 1 31 ARG HD2 1 66 PHE QD . . 5.170 3.841 2.610 4.688 . 0 0 "[ . 1 . 2 . 3 ]" 1
906 1 50 MET H 1 50 MET HG2 . . 4.530 3.867 2.149 4.538 0.008 15 0 "[ . 1 . 2 . 3 ]" 1
907 1 59 MET QG 1 60 GLY H . . 4.950 3.721 3.530 4.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
908 1 102 ASP HB2 1 103 LEU H . . 4.990 4.219 3.814 4.611 . 0 0 "[ . 1 . 2 . 3 ]" 1
909 1 36 ARG H 1 102 ASP HB2 . . 4.280 2.907 2.308 4.329 0.049 31 0 "[ . 1 . 2 . 3 ]" 1
910 1 27 ASP H 1 27 ASP HB3 . . 3.340 3.343 2.729 3.444 0.104 17 0 "[ . 1 . 2 . 3 ]" 1
911 1 84 PHE HB2 1 85 MET H . . 4.360 4.083 3.883 4.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
912 1 97 GLU HB2 1 98 GLU H . . 3.060 3.115 2.767 3.193 0.133 19 0 "[ . 1 . 2 . 3 ]" 1
913 1 46 HIS H 1 46 HIS HB2 . . 3.640 2.458 2.383 2.584 . 0 0 "[ . 1 . 2 . 3 ]" 1
914 1 46 HIS HB2 1 83 HIS HE1 . . 4.200 3.236 2.893 3.410 . 0 0 "[ . 1 . 2 . 3 ]" 1
915 1 46 HIS HB2 1 83 HIS HD2 . . 4.250 3.562 3.376 3.712 . 0 0 "[ . 1 . 2 . 3 ]" 1
916 1 41 GLU HA 1 41 GLU HG3 . . 4.170 2.658 2.390 3.679 . 0 0 "[ . 1 . 2 . 3 ]" 1
917 1 46 HIS HB2 1 47 GLU H . . 3.850 3.781 3.579 3.897 0.047 17 0 "[ . 1 . 2 . 3 ]" 1
918 1 46 HIS HB2 1 83 HIS H . . 4.320 3.610 3.462 3.764 . 0 0 "[ . 1 . 2 . 3 ]" 1
919 1 44 GLU HG3 1 45 LEU H . . 4.850 4.502 2.846 4.911 0.061 31 0 "[ . 1 . 2 . 3 ]" 1
920 1 46 HIS HD2 1 63 PRO HB2 . . 4.300 3.553 3.394 3.684 . 0 0 "[ . 1 . 2 . 3 ]" 1
921 1 54 GLU H 1 54 GLU HG2 . . 4.960 3.945 2.123 4.735 . 0 0 "[ . 1 . 2 . 3 ]" 1
922 1 118 GLU H 1 118 GLU QG . . 3.930 3.531 2.187 4.086 0.156 22 0 "[ . 1 . 2 . 3 ]" 1
923 1 41 GLU H 1 41 GLU HB3 . . 3.180 2.694 2.327 2.951 . 0 0 "[ . 1 . 2 . 3 ]" 1
924 1 61 MET ME 1 83 HIS HD2 . . 5.560 4.881 3.946 5.161 . 0 0 "[ . 1 . 2 . 3 ]" 1
925 1 46 HIS HE1 1 61 MET ME . . 5.100 5.145 5.115 5.173 0.073 25 0 "[ . 1 . 2 . 3 ]" 1
926 1 61 MET ME 1 83 HIS HE1 . . 3.810 2.923 2.610 3.512 . 0 0 "[ . 1 . 2 . 3 ]" 1
927 1 31 ARG HD3 1 66 PHE QD . . 5.170 3.132 2.173 3.594 . 0 0 "[ . 1 . 2 . 3 ]" 1
928 1 24 ASN HB2 1 73 GLY H . . 4.400 4.414 4.071 4.467 0.067 26 0 "[ . 1 . 2 . 3 ]" 1
929 1 41 GLU H 1 41 GLU HB2 . . 3.180 2.585 2.192 3.108 . 0 0 "[ . 1 . 2 . 3 ]" 1
930 1 69 VAL H 1 69 VAL HB . . 3.490 2.923 2.768 3.061 . 0 0 "[ . 1 . 2 . 3 ]" 1
931 1 44 GLU HG2 1 45 LEU H . . 4.850 4.186 2.555 4.891 0.041 7 0 "[ . 1 . 2 . 3 ]" 1
932 1 46 HIS HE1 1 85 MET ME . . 4.760 3.860 3.470 4.396 . 0 0 "[ . 1 . 2 . 3 ]" 1
933 1 102 ASP H 1 102 ASP HB3 . . 3.620 3.509 2.811 3.703 0.083 25 0 "[ . 1 . 2 . 3 ]" 1
934 1 47 GLU HB2 1 82 TYR QE . . 3.690 3.229 2.223 3.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
935 1 47 GLU HB2 1 82 TYR QD . . 4.040 3.759 2.884 4.137 0.097 26 0 "[ . 1 . 2 . 3 ]" 1
936 1 46 HIS HD2 1 63 PRO HG2 . . 5.630 5.160 4.943 5.336 . 0 0 "[ . 1 . 2 . 3 ]" 1
937 1 103 LEU HB2 1 105 PHE QE . . 4.460 2.500 2.208 2.955 . 0 0 "[ . 1 . 2 . 3 ]" 1
938 1 76 GLU HB2 1 77 LEU H . . 4.890 3.527 2.436 4.209 . 0 0 "[ . 1 . 2 . 3 ]" 1
939 1 46 HIS HD2 1 63 PRO HG3 . . 5.630 4.783 4.428 5.027 . 0 0 "[ . 1 . 2 . 3 ]" 1
940 1 68 GLU H 1 68 GLU HB2 . . 3.410 3.120 2.896 3.440 0.030 23 0 "[ . 1 . 2 . 3 ]" 1
941 1 76 GLU H 1 76 GLU HB2 . . 3.750 3.165 2.437 3.859 0.109 28 0 "[ . 1 . 2 . 3 ]" 1
942 1 32 LEU HB3 1 67 LEU H . . 4.000 2.978 2.742 3.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
943 1 97 GLU HB3 1 98 GLU H . . 3.060 1.968 1.762 2.407 . 0 0 "[ . 1 . 2 . 3 ]" 1
944 1 64 VAL HB 1 82 TYR QE . . 4.250 3.919 3.348 4.256 0.006 31 0 "[ . 1 . 2 . 3 ]" 1
945 1 72 LYS HB2 1 73 GLY H . . 4.650 3.615 3.431 4.332 . 0 0 "[ . 1 . 2 . 3 ]" 1
946 1 76 GLU H 1 76 GLU HB3 . . 3.750 3.514 2.302 3.825 0.075 14 0 "[ . 1 . 2 . 3 ]" 1
947 1 68 GLU H 1 68 GLU HB3 . . 3.410 2.640 2.536 2.860 . 0 0 "[ . 1 . 2 . 3 ]" 1
948 1 52 GLU HG2 1 56 LYS H . . 4.370 4.340 3.169 4.447 0.077 1 0 "[ . 1 . 2 . 3 ]" 1
949 1 53 VAL HB 1 54 GLU H . . 4.380 3.814 1.932 4.393 0.013 28 0 "[ . 1 . 2 . 3 ]" 1
950 1 118 GLU H 1 118 GLU QB . . 3.900 2.642 2.289 3.048 . 0 0 "[ . 1 . 2 . 3 ]" 1
951 1 61 MET HB3 1 62 ARG H . . 4.320 4.133 3.567 4.295 . 0 0 "[ . 1 . 2 . 3 ]" 1
952 1 47 GLU HB3 1 82 TYR QD . . 4.040 3.023 2.542 3.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
953 1 47 GLU HB3 1 82 TYR QE . . 3.690 2.361 2.095 2.798 . 0 0 "[ . 1 . 2 . 3 ]" 1
954 1 110 VAL H 1 110 VAL HB . . 3.130 2.956 2.538 3.200 0.070 13 0 "[ . 1 . 2 . 3 ]" 1
955 1 114 VAL H 1 114 VAL HB . . 3.350 2.857 2.476 3.320 . 0 0 "[ . 1 . 2 . 3 ]" 1
956 1 43 VAL HB 1 44 GLU H . . 4.140 4.124 4.002 4.293 0.153 19 0 "[ . 1 . 2 . 3 ]" 1
957 1 109 LYS H 1 109 LYS HB3 . . 3.840 3.587 2.268 3.861 0.021 28 0 "[ . 1 . 2 . 3 ]" 1
958 1 56 LYS H 1 56 LYS HB2 . . 3.950 2.753 2.478 3.854 . 0 0 "[ . 1 . 2 . 3 ]" 1
959 1 103 LEU H 1 103 LEU HG . . 3.920 3.890 3.522 3.981 0.061 30 0 "[ . 1 . 2 . 3 ]" 1
960 1 57 LYS HB3 1 58 VAL H . . 4.280 3.743 2.860 4.301 0.021 10 0 "[ . 1 . 2 . 3 ]" 1
961 1 112 LYS H 1 112 LYS HB2 . . 4.080 3.119 2.423 4.060 . 0 0 "[ . 1 . 2 . 3 ]" 1
962 1 84 PHE HZ 1 103 LEU HG . . 4.960 4.233 2.802 4.977 0.017 29 0 "[ . 1 . 2 . 3 ]" 1
963 1 112 LYS HB2 1 113 VAL H . . 4.620 3.618 2.360 4.399 . 0 0 "[ . 1 . 2 . 3 ]" 1
964 1 105 PHE QD 1 109 LYS HB2 . . 4.730 4.028 3.222 4.769 0.039 22 0 "[ . 1 . 2 . 3 ]" 1
965 1 31 ARG H 1 31 ARG HB3 . . 3.790 2.903 2.707 3.085 . 0 0 "[ . 1 . 2 . 3 ]" 1
966 1 22 LEU H 1 22 LEU HB2 . . 3.960 2.814 2.196 3.995 0.035 23 0 "[ . 1 . 2 . 3 ]" 1
967 1 57 LYS HB2 1 58 VAL H . . 4.280 3.700 2.818 4.365 0.085 14 0 "[ . 1 . 2 . 3 ]" 1
968 1 28 LEU H 1 28 LEU HG . . 3.880 2.492 2.092 3.652 . 0 0 "[ . 1 . 2 . 3 ]" 1
969 1 72 LYS H 1 72 LYS QD . . 4.300 2.770 2.291 4.336 0.036 3 0 "[ . 1 . 2 . 3 ]" 1
970 1 78 LYS HG2 1 81 GLY H . . 4.770 3.997 2.499 4.848 0.078 17 0 "[ . 1 . 2 . 3 ]" 1
971 1 105 PHE QE 1 111 LEU HB3 . . 3.950 2.479 2.090 3.958 0.008 26 0 "[ . 1 . 2 . 3 ]" 1
972 1 111 LEU HG 1 112 LYS H . . 4.560 3.288 1.942 4.618 0.058 15 0 "[ . 1 . 2 . 3 ]" 1
973 1 49 PHE HZ 1 51 ARG HG2 . . 5.720 5.402 3.982 5.816 0.096 18 0 "[ . 1 . 2 . 3 ]" 1
974 1 49 PHE QE 1 51 ARG HG2 . . 4.990 3.464 2.265 3.997 . 0 0 "[ . 1 . 2 . 3 ]" 1
975 1 46 HIS HB3 1 47 GLU H . . 3.630 2.576 2.401 2.823 . 0 0 "[ . 1 . 2 . 3 ]" 1
976 1 46 HIS HB3 1 46 HIS HE1 . . 5.260 4.914 4.857 5.039 . 0 0 "[ . 1 . 2 . 3 ]" 1
977 1 46 HIS HB3 1 83 HIS HE1 . . 4.310 2.899 2.725 3.112 . 0 0 "[ . 1 . 2 . 3 ]" 1
978 1 42 ARG H 1 42 ARG HG2 . . 4.600 3.952 2.501 4.626 0.026 25 0 "[ . 1 . 2 . 3 ]" 1
979 1 49 PHE HZ 1 51 ARG HG3 . . 5.720 4.410 3.749 5.753 0.033 3 0 "[ . 1 . 2 . 3 ]" 1
980 1 30 LEU HB3 1 105 PHE QD . . 3.870 2.674 2.381 3.323 . 0 0 "[ . 1 . 2 . 3 ]" 1
981 1 49 PHE QE 1 51 ARG HG3 . . 4.990 2.567 2.015 4.415 . 0 0 "[ . 1 . 2 . 3 ]" 1
982 1 30 LEU HB2 1 31 ARG H . . 3.800 3.857 3.677 3.987 0.187 23 0 "[ . 1 . 2 . 3 ]" 1
983 1 30 LEU HB3 1 105 PHE QE . . 4.990 2.744 2.436 3.828 . 0 0 "[ . 1 . 2 . 3 ]" 1
984 1 24 ASN HD21 1 30 LEU HB2 . . 4.780 3.431 2.718 4.809 0.029 28 0 "[ . 1 . 2 . 3 ]" 1
985 1 28 LEU H 1 71 PRO HG3 . . 4.600 4.458 4.026 4.639 0.039 31 0 "[ . 1 . 2 . 3 ]" 1
986 1 74 ARG H 1 74 ARG HG2 . . 4.270 3.796 2.329 4.435 0.165 20 0 "[ . 1 . 2 . 3 ]" 1
987 1 119 ALA MB 1 120 ARG H . . 4.990 3.090 1.975 3.788 . 0 0 "[ . 1 . 2 . 3 ]" 1
988 1 77 LEU HG 1 82 TYR H . . 5.800 5.395 4.701 5.819 0.019 13 0 "[ . 1 . 2 . 3 ]" 1
989 1 45 LEU HG 1 82 TYR QD . . 4.790 4.420 3.637 4.839 0.049 17 0 "[ . 1 . 2 . 3 ]" 1
990 1 77 LEU H 1 77 LEU HG . . 5.670 3.778 3.221 4.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
991 1 31 ARG HG2 1 66 PHE QD . . 4.750 3.532 2.982 4.416 . 0 0 "[ . 1 . 2 . 3 ]" 1
992 1 31 ARG HG2 1 66 PHE HB3 . . 5.160 3.841 3.166 5.187 0.027 8 0 "[ . 1 . 2 . 3 ]" 1
993 1 34 GLY H 1 104 LEU HB3 . . 4.110 3.802 3.588 3.982 . 0 0 "[ . 1 . 2 . 3 ]" 1
994 1 34 GLY HA2 1 104 LEU HB3 . . 5.100 5.181 5.164 5.200 0.100 7 0 "[ . 1 . 2 . 3 ]" 1
995 1 72 LYS H 1 72 LYS HG3 . . 4.700 4.198 2.693 4.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
996 1 48 THR H 1 48 THR MG . . 4.400 3.924 3.799 4.026 . 0 0 "[ . 1 . 2 . 3 ]" 1
997 1 48 THR MG 1 49 PHE H . . 3.610 2.532 2.299 2.869 . 0 0 "[ . 1 . 2 . 3 ]" 1
998 1 48 THR MG 1 83 HIS HE1 . . 5.350 4.173 3.793 4.772 . 0 0 "[ . 1 . 2 . 3 ]" 1
999 1 48 THR MG 1 49 PHE QE . . 6.600 5.616 5.091 6.011 . 0 0 "[ . 1 . 2 . 3 ]" 1
1000 1 67 LEU HG 1 82 TYR QD . . 6.530 4.721 4.450 5.060 . 0 0 "[ . 1 . 2 . 3 ]" 1
1001 1 67 LEU HG 1 68 GLU H . . 6.350 5.122 5.055 5.194 . 0 0 "[ . 1 . 2 . 3 ]" 1
1002 1 67 LEU H 1 67 LEU HB3 . . 4.080 3.818 3.768 3.871 . 0 0 "[ . 1 . 2 . 3 ]" 1
1003 1 32 LEU H 1 32 LEU HB2 . . 3.720 2.739 2.644 2.829 . 0 0 "[ . 1 . 2 . 3 ]" 1
1004 1 32 LEU HB2 1 105 PHE QE . . 5.810 2.592 2.273 3.022 . 0 0 "[ . 1 . 2 . 3 ]" 1
1005 1 104 LEU H 1 104 LEU HB2 . . 3.640 2.447 2.365 2.515 . 0 0 "[ . 1 . 2 . 3 ]" 1
1006 1 34 GLY H 1 104 LEU HB2 . . 3.840 2.514 2.306 2.694 . 0 0 "[ . 1 . 2 . 3 ]" 1
1007 1 21 THR MG 1 74 ARG HD2 . . 5.030 3.999 2.058 5.115 0.085 5 0 "[ . 1 . 2 . 3 ]" 1
1008 1 21 THR MG 1 74 ARG HD3 . . 5.030 3.518 2.280 5.009 . 0 0 "[ . 1 . 2 . 3 ]" 1
1009 1 103 LEU HB3 1 105 PHE QE . . 4.460 2.821 2.220 3.181 . 0 0 "[ . 1 . 2 . 3 ]" 1
1010 1 103 LEU H 1 103 LEU HB3 . . 4.140 3.617 3.429 3.770 . 0 0 "[ . 1 . 2 . 3 ]" 1
1011 1 103 LEU HB3 1 104 LEU H . . 4.700 3.320 2.979 3.598 . 0 0 "[ . 1 . 2 . 3 ]" 1
1012 1 75 VAL H 1 75 VAL MG1 . . 4.460 3.979 3.803 4.145 . 0 0 "[ . 1 . 2 . 3 ]" 1
1013 1 17 ALA MB 1 83 HIS HD2 . . 3.290 2.334 2.151 2.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
1014 1 18 ALA MB 1 19 TYR H . . 4.300 2.806 2.381 3.166 . 0 0 "[ . 1 . 2 . 3 ]" 1
1015 1 69 VAL MG1 1 70 PRO HD2 . . 4.810 2.170 2.033 2.372 . 0 0 "[ . 1 . 2 . 3 ]" 1
1016 1 22 LEU H 1 22 LEU MD1 . . 5.060 4.397 4.196 4.996 . 0 0 "[ . 1 . 2 . 3 ]" 1
1017 1 24 ASN HB3 1 69 VAL MG1 . . 3.980 2.951 2.515 3.943 . 0 0 "[ . 1 . 2 . 3 ]" 1
1018 1 113 VAL MG1 1 114 VAL H . . 5.590 2.723 1.681 3.827 . 0 0 "[ . 1 . 2 . 3 ]" 1
1019 1 20 LEU MD2 1 84 PHE HZ . . 4.800 4.134 3.246 4.814 0.014 4 0 "[ . 1 . 2 . 3 ]" 1
1020 1 113 VAL H 1 113 VAL MG1 . . 4.600 3.609 2.698 4.133 . 0 0 "[ . 1 . 2 . 3 ]" 1
1021 1 20 LEU MD2 1 84 PHE QE . . 4.060 2.410 2.035 3.231 . 0 0 "[ . 1 . 2 . 3 ]" 1
1022 1 33 VAL H 1 33 VAL MG1 . . 4.260 2.719 2.584 2.862 . 0 0 "[ . 1 . 2 . 3 ]" 1
1023 1 33 VAL MG1 1 66 PHE QD . . 4.610 3.530 3.389 3.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
1024 1 33 VAL MG1 1 105 PHE HA . . 5.310 3.574 3.213 3.971 . 0 0 "[ . 1 . 2 . 3 ]" 1
1025 1 111 LEU MD1 1 112 LYS H . . 5.020 3.329 2.064 5.039 0.019 27 0 "[ . 1 . 2 . 3 ]" 1
1026 1 53 VAL MG1 1 54 GLU H . . 4.890 3.186 2.231 4.342 . 0 0 "[ . 1 . 2 . 3 ]" 1
1027 1 37 THR HG1 1 39 VAL MG1 . . 6.400 4.508 4.171 4.959 . 0 0 "[ . 1 . 2 . 3 ]" 1
1028 1 110 VAL H 1 110 VAL MG1 . . 4.490 3.149 2.104 4.023 . 0 0 "[ . 1 . 2 . 3 ]" 1
1029 1 47 GLU H 1 64 VAL MG1 . . 5.270 2.980 2.452 4.064 . 0 0 "[ . 1 . 2 . 3 ]" 1
1030 1 64 VAL MG1 1 82 TYR QE . . 3.960 2.505 2.129 3.076 . 0 0 "[ . 1 . 2 . 3 ]" 1
1031 1 69 VAL MG2 1 70 PRO HD3 . . 5.510 4.417 3.956 4.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
1032 1 69 VAL MG2 1 70 PRO HD2 . . 5.510 3.688 3.046 3.965 . 0 0 "[ . 1 . 2 . 3 ]" 1
1033 1 69 VAL H 1 69 VAL MG2 . . 3.670 3.049 2.862 3.398 . 0 0 "[ . 1 . 2 . 3 ]" 1
1034 1 46 HIS HA 1 64 VAL MG1 . . 5.880 3.536 3.104 4.494 . 0 0 "[ . 1 . 2 . 3 ]" 1
1035 1 113 VAL H 1 113 VAL MG2 . . 3.850 2.563 2.042 3.077 . 0 0 "[ . 1 . 2 . 3 ]" 1
1036 1 58 VAL MG2 1 59 MET H . . 5.530 3.058 1.731 4.125 . 0 0 "[ . 1 . 2 . 3 ]" 1
1037 1 37 THR H 1 37 THR MG . . 3.770 2.733 2.474 2.962 . 0 0 "[ . 1 . 2 . 3 ]" 1
1038 1 53 VAL MG2 1 54 GLU H . . 4.890 3.811 2.265 4.242 . 0 0 "[ . 1 . 2 . 3 ]" 1
1039 1 58 VAL MG1 1 59 MET H . . 5.530 3.131 1.751 3.835 . 0 0 "[ . 1 . 2 . 3 ]" 1
1040 1 32 LEU MD2 1 105 PHE QD . . 5.700 4.736 3.433 5.498 . 0 0 "[ . 1 . 2 . 3 ]" 1
1041 1 35 ALA MB 1 84 PHE QD . . 4.780 3.012 2.778 3.335 . 0 0 "[ . 1 . 2 . 3 ]" 1
1042 1 32 LEU MD2 1 105 PHE QE . . 5.470 4.005 2.572 5.249 . 0 0 "[ . 1 . 2 . 3 ]" 1
1043 1 32 LEU MD2 1 84 PHE HZ . . 4.190 2.275 2.017 3.236 . 0 0 "[ . 1 . 2 . 3 ]" 1
1044 1 35 ALA MB 1 84 PHE QE . . 4.090 2.669 2.391 3.006 . 0 0 "[ . 1 . 2 . 3 ]" 1
1045 1 8 VAL MG1 1 9 ARG H . . 4.180 2.504 2.234 2.868 . 0 0 "[ . 1 . 2 . 3 ]" 1
1046 1 99 VAL H 1 99 VAL MG2 . . 3.740 3.127 2.603 3.336 . 0 0 "[ . 1 . 2 . 3 ]" 1
1047 1 77 LEU H 1 77 LEU MD1 . . 4.010 2.513 2.136 3.414 . 0 0 "[ . 1 . 2 . 3 ]" 1
1048 1 43 VAL H 1 43 VAL MG1 . . 3.680 2.520 2.161 2.901 . 0 0 "[ . 1 . 2 . 3 ]" 1
1049 1 77 LEU MD1 1 82 TYR HB3 . . 5.080 4.393 3.831 4.775 . 0 0 "[ . 1 . 2 . 3 ]" 1
1050 1 77 LEU MD1 1 82 TYR HB2 . . 5.080 4.471 3.532 5.055 . 0 0 "[ . 1 . 2 . 3 ]" 1
1051 1 77 LEU MD1 1 84 PHE HZ . . 3.970 3.980 3.824 4.016 0.046 10 0 "[ . 1 . 2 . 3 ]" 1
1052 1 43 VAL MG2 1 84 PHE QE . . 3.880 3.837 3.332 3.900 0.020 2 0 "[ . 1 . 2 . 3 ]" 1
1053 1 104 LEU H 1 104 LEU MD1 . . 4.250 3.941 3.746 4.031 . 0 0 "[ . 1 . 2 . 3 ]" 1
1054 1 63 PRO HA 1 64 VAL MG2 . . 5.070 3.568 3.222 3.855 . 0 0 "[ . 1 . 2 . 3 ]" 1
1055 1 64 VAL MG2 1 65 PRO HD2 . . 5.430 3.624 3.457 3.968 . 0 0 "[ . 1 . 2 . 3 ]" 1
1056 1 64 VAL H 1 64 VAL MG2 . . 4.020 2.368 2.181 2.440 . 0 0 "[ . 1 . 2 . 3 ]" 1
1057 1 104 LEU H 1 104 LEU MD2 . . 4.250 3.539 3.439 3.671 . 0 0 "[ . 1 . 2 . 3 ]" 1
1058 1 64 VAL MG2 1 82 TYR QD . . 4.570 2.614 2.250 3.099 . 0 0 "[ . 1 . 2 . 3 ]" 1
1059 1 64 VAL MG2 1 82 TYR QE . . 4.130 2.495 2.186 2.970 . 0 0 "[ . 1 . 2 . 3 ]" 1
1060 1 77 LEU MD1 1 84 PHE QE . . 4.020 2.789 2.162 3.640 . 0 0 "[ . 1 . 2 . 3 ]" 1
1061 1 32 LEU MD1 1 105 PHE QE . . 5.470 3.439 2.147 5.104 . 0 0 "[ . 1 . 2 . 3 ]" 1
1062 1 32 LEU MD1 1 105 PHE QD . . 5.700 3.990 2.154 5.403 . 0 0 "[ . 1 . 2 . 3 ]" 1
1063 1 32 LEU MD1 1 84 PHE HZ . . 4.190 2.424 2.032 3.211 . 0 0 "[ . 1 . 2 . 3 ]" 1
1064 1 46 HIS HD2 1 64 VAL MG2 . . 6.170 4.467 4.208 4.712 . 0 0 "[ . 1 . 2 . 3 ]" 1
1065 1 43 VAL MG2 1 85 MET H . . 4.310 3.641 3.154 4.325 0.015 19 0 "[ . 1 . 2 . 3 ]" 1
1066 1 43 VAL MG2 1 44 GLU H . . 3.990 2.480 1.975 3.822 . 0 0 "[ . 1 . 2 . 3 ]" 1
1067 1 43 VAL MG2 1 84 PHE QD . . 3.740 2.406 2.176 2.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
1068 1 33 VAL MG2 1 34 GLY H . . 3.940 2.730 2.634 2.853 . 0 0 "[ . 1 . 2 . 3 ]" 1
1069 1 33 VAL MG2 1 104 LEU H . . 4.850 4.661 4.443 4.846 . 0 0 "[ . 1 . 2 . 3 ]" 1
1070 1 30 LEU MD1 1 105 PHE HB3 . . 5.560 4.296 2.324 5.059 . 0 0 "[ . 1 . 2 . 3 ]" 1
1071 1 30 LEU MD1 1 31 ARG H . . 4.740 4.046 2.301 4.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
1072 1 24 ASN HD21 1 30 LEU MD1 . . 6.600 3.812 2.673 5.446 . 0 0 "[ . 1 . 2 . 3 ]" 1
1073 1 30 LEU MD1 1 105 PHE HB2 . . 5.500 4.911 3.157 5.538 0.038 21 0 "[ . 1 . 2 . 3 ]" 1
1074 1 30 LEU MD2 1 31 ARG H . . 4.740 3.407 2.849 4.562 . 0 0 "[ . 1 . 2 . 3 ]" 1
1075 1 30 LEU MD2 1 105 PHE QE . . 5.110 3.622 2.546 5.140 0.030 12 0 "[ . 1 . 2 . 3 ]" 1
1076 1 30 LEU MD2 1 105 PHE HB3 . . 5.560 3.423 2.322 4.896 . 0 0 "[ . 1 . 2 . 3 ]" 1
1077 1 45 LEU MD2 1 46 HIS H . . 5.160 4.712 4.524 4.850 . 0 0 "[ . 1 . 2 . 3 ]" 1
1078 1 45 LEU H 1 45 LEU MD2 . . 5.060 3.791 1.829 4.578 . 0 0 "[ . 1 . 2 . 3 ]" 1
1079 1 45 LEU MD2 1 67 LEU H . . 4.760 3.282 2.777 4.685 . 0 0 "[ . 1 . 2 . 3 ]" 1
1080 1 34 GLY H 1 45 LEU MD2 . . 5.700 4.349 3.843 5.135 . 0 0 "[ . 1 . 2 . 3 ]" 1
1081 1 45 LEU MD2 1 84 PHE HZ . . 5.550 4.208 3.050 5.080 . 0 0 "[ . 1 . 2 . 3 ]" 1
1082 1 45 LEU MD2 1 84 PHE QE . . 4.620 3.339 2.748 3.907 . 0 0 "[ . 1 . 2 . 3 ]" 1
1083 1 45 LEU MD2 1 66 PHE QD . . 6.600 4.752 4.524 5.428 . 0 0 "[ . 1 . 2 . 3 ]" 1
1084 1 45 LEU MD2 1 84 PHE QD . . 4.870 4.523 3.898 4.876 0.006 29 0 "[ . 1 . 2 . 3 ]" 1
1085 1 101 LEU MD2 1 102 ASP H . . 5.500 3.965 2.722 4.662 . 0 0 "[ . 1 . 2 . 3 ]" 1
1086 1 36 ARG H 1 101 LEU MD2 . . 5.500 4.123 2.808 5.517 0.017 9 0 "[ . 1 . 2 . 3 ]" 1
1087 1 67 LEU MD1 1 84 PHE QD . . 5.400 5.391 5.203 5.435 0.035 23 0 "[ . 1 . 2 . 3 ]" 1
1088 1 32 LEU HB3 1 67 LEU MD1 . . 5.040 3.485 3.197 3.739 . 0 0 "[ . 1 . 2 . 3 ]" 1
1089 1 67 LEU MD1 1 68 GLU H . . 4.400 4.431 4.407 4.473 0.073 23 0 "[ . 1 . 2 . 3 ]" 1
1090 1 67 LEU MD1 1 82 TYR QD . . 4.420 3.492 3.089 3.766 . 0 0 "[ . 1 . 2 . 3 ]" 1
1091 1 67 LEU MD1 1 82 TYR QE . . 4.710 4.624 4.202 4.738 0.028 14 0 "[ . 1 . 2 . 3 ]" 1
1092 1 67 LEU MD1 1 84 PHE HZ . . 5.950 4.676 3.745 5.370 . 0 0 "[ . 1 . 2 . 3 ]" 1
1093 1 66 PHE QD 1 67 LEU MD1 . . 6.320 5.995 5.934 6.075 . 0 0 "[ . 1 . 2 . 3 ]" 1
1094 1 45 LEU H 1 45 LEU MD1 . . 5.450 4.339 4.027 4.627 . 0 0 "[ . 1 . 2 . 3 ]" 1
1095 1 45 LEU MD1 1 46 HIS H . . 4.660 3.066 2.218 4.478 . 0 0 "[ . 1 . 2 . 3 ]" 1
1096 1 67 LEU MD2 1 83 HIS H . . 5.470 4.700 4.195 5.183 . 0 0 "[ . 1 . 2 . 3 ]" 1
1097 1 67 LEU H 1 67 LEU MD2 . . 5.080 3.509 3.368 3.637 . 0 0 "[ . 1 . 2 . 3 ]" 1
1098 1 67 LEU MD2 1 82 TYR HB2 . . 4.810 3.848 3.239 4.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
1099 1 67 LEU MD2 1 68 GLU H . . 4.480 3.847 3.711 3.991 . 0 0 "[ . 1 . 2 . 3 ]" 1
1100 1 67 LEU MD2 1 82 TYR QD . . 4.150 2.377 1.975 2.824 . 0 0 "[ . 1 . 2 . 3 ]" 1
1101 1 67 LEU MD2 1 82 TYR QE . . 4.300 2.989 2.708 3.305 . 0 0 "[ . 1 . 2 . 3 ]" 1
1102 1 66 PHE QD 1 67 LEU MD2 . . 5.810 4.682 4.560 4.782 . 0 0 "[ . 1 . 2 . 3 ]" 1
1103 1 67 LEU MD2 1 82 TYR HA . . 6.470 4.501 3.854 5.228 . 0 0 "[ . 1 . 2 . 3 ]" 1
1104 1 67 LEU MD2 1 82 TYR H . . 6.530 5.633 4.891 6.495 . 0 0 "[ . 1 . 2 . 3 ]" 1
1105 1 77 LEU MD2 1 84 PHE H . . 5.070 2.799 2.244 3.531 . 0 0 "[ . 1 . 2 . 3 ]" 1
1106 1 77 LEU MD2 1 82 TYR QD . . 5.550 4.678 3.978 5.569 0.019 28 0 "[ . 1 . 2 . 3 ]" 1
1107 1 77 LEU MD2 1 84 PHE QE . . 4.840 2.545 2.187 3.048 . 0 0 "[ . 1 . 2 . 3 ]" 1
1108 1 77 LEU MD2 1 82 TYR HB3 . . 5.270 3.250 2.482 4.255 . 0 0 "[ . 1 . 2 . 3 ]" 1
1109 1 77 LEU MD2 1 82 TYR HB2 . . 5.270 3.993 3.205 4.954 . 0 0 "[ . 1 . 2 . 3 ]" 1
1110 1 77 LEU MD2 1 82 TYR H . . 6.300 5.473 4.946 6.309 0.009 1 0 "[ . 1 . 2 . 3 ]" 1
1111 1 77 LEU MD2 1 83 HIS H . . 5.030 3.332 2.757 4.073 . 0 0 "[ . 1 . 2 . 3 ]" 1
1112 1 77 LEU MD2 1 84 PHE HZ . . 5.430 3.708 3.110 4.515 . 0 0 "[ . 1 . 2 . 3 ]" 1
1113 1 77 LEU MD2 1 84 PHE QD . . 4.930 2.446 2.103 2.989 . 0 0 "[ . 1 . 2 . 3 ]" 1
1114 1 85 MET H 1 85 MET HB3 . . 4.070 3.068 2.780 3.905 . 0 0 "[ . 1 . 2 . 3 ]" 1
1115 1 46 HIS HE1 1 85 MET HB3 . . 4.650 3.290 2.966 3.506 . 0 0 "[ . 1 . 2 . 3 ]" 1
1116 1 84 PHE QD 1 101 LEU MD1 . . 5.600 4.607 2.660 5.605 0.005 29 0 "[ . 1 . 2 . 3 ]" 1
1117 1 64 VAL MG1 1 82 TYR QD . . 5.320 3.824 3.447 4.502 . 0 0 "[ . 1 . 2 . 3 ]" 1
1118 1 49 PHE QE 1 51 ARG HB2 . . 5.450 2.742 2.158 4.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
1119 1 77 LEU MD1 1 84 PHE QD . . 5.290 3.875 2.712 4.804 . 0 0 "[ . 1 . 2 . 3 ]" 1
1120 1 34 GLY HA2 1 84 PHE QD . . 6.600 4.716 4.208 5.168 . 0 0 "[ . 1 . 2 . 3 ]" 1
1121 1 34 GLY HA3 1 84 PHE HZ . . 6.600 5.712 4.774 6.623 0.023 18 0 "[ . 1 . 2 . 3 ]" 1
1122 1 46 HIS HD2 1 64 VAL MG1 . . 6.600 5.363 5.066 6.185 . 0 0 "[ . 1 . 2 . 3 ]" 1
1123 1 46 HIS H 1 82 TYR HA . . 5.510 5.007 4.712 5.218 . 0 0 "[ . 1 . 2 . 3 ]" 1
1124 1 46 HIS HB2 1 61 MET HA . . 6.260 6.195 5.834 6.310 0.050 2 0 "[ . 1 . 2 . 3 ]" 1
1125 1 48 THR HB 1 83 HIS HE1 . . 6.600 4.327 3.924 4.850 . 0 0 "[ . 1 . 2 . 3 ]" 1
1126 1 35 ALA HA 1 84 PHE HZ . . 6.600 4.691 4.324 5.318 . 0 0 "[ . 1 . 2 . 3 ]" 1
1127 1 67 LEU MD2 1 84 PHE HZ . . 6.600 6.191 5.566 6.561 . 0 0 "[ . 1 . 2 . 3 ]" 1
1128 1 67 LEU MD2 1 84 PHE QE . . 6.600 5.825 5.405 6.057 . 0 0 "[ . 1 . 2 . 3 ]" 1
1129 1 67 LEU MD2 1 84 PHE QD . . 6.600 6.484 6.244 6.615 0.015 23 0 "[ . 1 . 2 . 3 ]" 1
1130 1 67 LEU MD1 1 84 PHE QE . . 6.350 4.440 3.901 4.751 . 0 0 "[ . 1 . 2 . 3 ]" 1
1131 1 84 PHE QE 1 103 LEU HG . . 5.460 3.935 2.863 4.832 . 0 0 "[ . 1 . 2 . 3 ]" 1
1132 1 33 VAL MG2 1 66 PHE QD . . 6.600 5.706 5.551 5.790 . 0 0 "[ . 1 . 2 . 3 ]" 1
1133 1 65 PRO HB3 1 66 PHE H . . 4.660 4.264 4.197 4.328 . 0 0 "[ . 1 . 2 . 3 ]" 1
1134 1 49 PHE QD 1 60 GLY HA2 . . 6.600 5.112 4.905 5.355 . 0 0 "[ . 1 . 2 . 3 ]" 1
1135 1 49 PHE QE 1 60 GLY H . . 5.980 4.052 3.372 4.544 . 0 0 "[ . 1 . 2 . 3 ]" 1
1136 1 17 ALA MB 1 19 TYR QE . . 6.600 3.513 2.104 6.611 0.011 28 0 "[ . 1 . 2 . 3 ]" 1
1137 1 19 TYR QE 1 79 PRO HD3 . . 6.600 4.937 2.448 6.611 0.011 15 0 "[ . 1 . 2 . 3 ]" 1
1138 1 19 TYR QE 1 79 PRO HB3 . . 6.600 3.765 2.572 5.553 . 0 0 "[ . 1 . 2 . 3 ]" 1
1139 1 30 LEU HB3 1 69 VAL H . . 4.820 4.469 4.165 4.837 0.017 1 0 "[ . 1 . 2 . 3 ]" 1
1140 1 28 LEU H 1 29 PRO HD2 . . 5.360 5.004 4.900 5.056 . 0 0 "[ . 1 . 2 . 3 ]" 1
1141 1 90 LYS H 1 91 ARG H . . 3.190 2.270 1.946 3.161 . 0 0 "[ . 1 . 2 . 3 ]" 1
1142 1 89 LEU QD 1 90 LYS H . . 4.160 3.628 3.301 3.925 . 0 0 "[ . 1 . 2 . 3 ]" 1
1143 1 89 LEU QB 1 90 LYS HA . . 4.090 4.398 4.077 4.527 0.437 30 0 "[ . 1 . 2 . 3 ]" 1
1144 1 41 GLU HA 1 90 LYS HE3 . . 4.400 3.646 2.554 4.185 . 0 0 "[ . 1 . 2 . 3 ]" 1
1145 1 89 LEU QB 1 90 LYS H . . 2.930 2.459 2.222 2.829 . 0 0 "[ . 1 . 2 . 3 ]" 1
1146 1 90 LYS H 1 90 LYS HG2 . . 4.000 2.957 2.359 4.617 0.617 13 1 "[ . 1 + . 2 . 3 ]" 1
1147 1 91 ARG HB2 1 91 ARG QD . . 3.790 2.875 2.315 3.559 . 0 0 "[ . 1 . 2 . 3 ]" 1
1148 1 10 PHE H 1 16 ALA HA . . 5.500 6.778 5.290 8.963 3.463 24 25 "[******-**1* * * ****** +* *****]" 1
1149 1 9 ARG QG 1 10 PHE H . . 5.500 3.461 2.576 4.851 . 0 0 "[ . 1 . 2 . 3 ]" 1
1150 1 118 GLU H 1 119 ALA H . . 5.380 4.432 4.342 4.564 . 0 0 "[ . 1 . 2 . 3 ]" 1
1151 1 95 ALA H 1 97 GLU H . . 5.500 5.047 4.445 5.885 0.385 21 0 "[ . 1 . 2 . 3 ]" 1
1152 1 94 LYS QD 1 95 ALA H . . 4.220 4.047 3.147 4.384 0.164 9 0 "[ . 1 . 2 . 3 ]" 1
1153 1 93 LEU H 1 94 LYS H . . 5.030 4.070 2.614 4.276 . 0 0 "[ . 1 . 2 . 3 ]" 1
1154 1 93 LEU H 1 93 LEU QD . . 5.230 2.711 1.699 3.764 . 0 0 "[ . 1 . 2 . 3 ]" 1
1155 1 41 GLU H 1 87 LEU H . . 5.390 3.983 3.477 4.994 . 0 0 "[ . 1 . 2 . 3 ]" 1
1156 1 40 ALA H 1 41 GLU H . . 4.970 4.258 3.776 4.403 . 0 0 "[ . 1 . 2 . 3 ]" 1
1157 1 39 VAL HB 1 40 ALA H . . 4.640 4.492 4.405 4.563 . 0 0 "[ . 1 . 2 . 3 ]" 1
1158 1 16 ALA H 1 17 ALA H . . 5.500 4.369 4.277 4.521 . 0 0 "[ . 1 . 2 . 3 ]" 1
1159 1 16 ALA H 1 86 LEU HB3 . . 4.130 4.031 3.619 4.478 0.348 6 0 "[ . 1 . 2 . 3 ]" 1
1160 1 90 LYS H 1 90 LYS HG3 . . 4.000 3.793 2.298 4.503 0.503 30 1 "[ . 1 . 2 . + ]" 1
1161 1 18 ALA H 1 19 TYR H . . 4.350 4.430 4.338 4.523 0.173 5 0 "[ . 1 . 2 . 3 ]" 1
1162 1 15 ASN H 1 16 ALA H . . 4.320 4.438 4.107 4.583 0.263 12 0 "[ . 1 . 2 . 3 ]" 1
1163 1 13 GLY QA 1 15 ASN H . . 3.780 3.350 2.841 4.017 0.237 16 0 "[ . 1 . 2 . 3 ]" 1
1164 1 14 PRO HD3 1 15 ASN H . . 4.040 3.980 3.711 4.197 0.157 7 0 "[ . 1 . 2 . 3 ]" 1
1165 1 15 ASN H 1 15 ASN QD . . 4.380 3.489 2.369 4.053 . 0 0 "[ . 1 . 2 . 3 ]" 1
1166 1 15 ASN H 1 89 LEU QD . . 4.510 4.165 3.710 4.625 0.115 21 0 "[ . 1 . 2 . 3 ]" 1
1167 1 37 THR H 1 38 PRO HD3 . . 5.500 4.630 4.398 4.892 . 0 0 "[ . 1 . 2 . 3 ]" 1
1168 1 37 THR H 1 37 THR HG1 . . 5.500 4.825 4.655 4.965 . 0 0 "[ . 1 . 2 . 3 ]" 1
1169 1 37 THR H 1 40 ALA MB . . 5.500 4.229 3.367 4.927 . 0 0 "[ . 1 . 2 . 3 ]" 1
1170 1 91 ARG H 1 91 ARG QD . . 4.320 4.369 4.086 4.589 0.269 29 0 "[ . 1 . 2 . 3 ]" 1
1171 1 39 VAL HB 1 91 ARG H . . 5.500 3.055 2.230 4.137 . 0 0 "[ . 1 . 2 . 3 ]" 1
1172 1 91 ARG H 1 91 ARG HB3 . . 3.660 3.701 3.208 3.974 0.314 9 0 "[ . 1 . 2 . 3 ]" 1
1173 1 91 ARG H 1 91 ARG QG . . 3.270 3.109 2.472 3.414 0.144 2 0 "[ . 1 . 2 . 3 ]" 1
1174 1 15 ASN QD 1 87 LEU QD . . 4.540 3.210 1.759 4.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
1175 1 96 GLY H 1 118 GLU HA . . 5.290 3.407 2.930 4.388 . 0 0 "[ . 1 . 2 . 3 ]" 1
1176 1 16 ALA H 1 88 GLY H . . 5.190 5.303 4.700 5.722 0.532 17 1 "[ . 1 . + 2 . 3 ]" 1
1177 1 38 PRO QG 1 39 VAL H . . 3.920 3.023 2.812 3.199 . 0 0 "[ . 1 . 2 . 3 ]" 1
1178 1 40 ALA H 1 90 LYS QD . . 5.350 4.370 2.377 5.324 . 0 0 "[ . 1 . 2 . 3 ]" 1
1179 1 40 ALA H 1 90 LYS H . . 5.500 4.087 3.432 5.509 0.009 30 0 "[ . 1 . 2 . 3 ]" 1
1180 1 14 PRO HD2 1 15 ASN H . . 4.040 2.824 2.398 3.210 . 0 0 "[ . 1 . 2 . 3 ]" 1
1181 1 11 SER QB 1 13 GLY H . . 4.090 3.031 2.085 6.214 2.124 24 1 "[ . 1 . 2 +. 3 ]" 1
1182 1 91 ARG H 1 92 PRO HD2 . . 4.970 4.820 4.555 5.071 0.101 2 0 "[ . 1 . 2 . 3 ]" 1
1183 1 91 ARG H 1 92 PRO HD3 . . 4.970 4.813 4.245 5.326 0.356 29 0 "[ . 1 . 2 . 3 ]" 1
1184 1 16 ALA H 1 89 LEU QD . . 5.500 4.274 2.627 4.871 . 0 0 "[ . 1 . 2 . 3 ]" 1
1185 1 16 ALA H 1 86 LEU MD2 . . 5.500 4.846 4.377 5.350 . 0 0 "[ . 1 . 2 . 3 ]" 1
1186 1 38 PRO HA 1 40 ALA H . . 4.090 4.039 3.588 4.354 0.264 17 0 "[ . 1 . 2 . 3 ]" 1
1187 1 37 THR H 1 43 VAL MG1 . . 4.510 4.742 3.931 5.381 0.871 15 12 "[* ** **1* *-+* 2 * . 3*]" 1
1188 1 36 ARG QG 1 37 THR H . . 4.810 3.227 1.722 4.582 . 0 0 "[ . 1 . 2 . 3 ]" 1
1189 1 36 ARG HB2 1 37 THR H . . 4.150 3.775 2.129 4.534 0.384 13 0 "[ . 1 . 2 . 3 ]" 1
1190 1 36 ARG HB3 1 37 THR H . . 4.150 2.923 2.029 4.187 0.037 2 0 "[ . 1 . 2 . 3 ]" 1
1191 1 36 ARG QD 1 37 THR H . . 5.440 3.738 1.712 5.012 . 0 0 "[ . 1 . 2 . 3 ]" 1
1192 1 36 ARG H 1 37 THR H . . 5.080 4.330 4.218 4.372 . 0 0 "[ . 1 . 2 . 3 ]" 1
1193 1 95 ALA H 1 117 VAL MG1 . . 5.070 4.249 3.346 5.203 0.133 15 0 "[ . 1 . 2 . 3 ]" 1
1194 1 39 VAL MG1 1 91 ARG H . . 5.100 2.927 2.274 4.735 . 0 0 "[ . 1 . 2 . 3 ]" 1
1195 1 41 GLU H 1 90 LYS QD . . 4.930 4.905 3.530 5.352 0.422 17 0 "[ . 1 . 2 . 3 ]" 1
1196 1 92 PRO HA 1 93 LEU H . . 2.990 2.347 2.181 2.595 . 0 0 "[ . 1 . 2 . 3 ]" 1
1197 1 39 VAL HA 1 40 ALA H . . 3.540 2.764 2.518 3.092 . 0 0 "[ . 1 . 2 . 3 ]" 1
1198 1 39 VAL HA 1 90 LYS QD . . 4.260 4.025 2.131 4.491 0.231 22 0 "[ . 1 . 2 . 3 ]" 1
1199 1 11 SER HA 1 12 PRO HD3 . . 3.330 2.354 2.118 2.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
1200 1 95 ALA HA 1 96 GLY H . . 2.930 2.133 2.015 2.475 . 0 0 "[ . 1 . 2 . 3 ]" 1
1201 1 95 ALA HA 1 97 GLU H . . 3.780 3.654 3.255 4.004 0.224 15 0 "[ . 1 . 2 . 3 ]" 1
1202 1 95 ALA HA 1 117 VAL HB . . 3.520 3.707 2.822 4.641 1.121 15 9 "[****. -* 1 + 2 * * 3 ]" 1
1203 1 15 ASN HA 1 87 LEU QD . . 4.960 3.623 2.233 4.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
1204 1 17 ALA HA 1 86 LEU H . . 3.710 2.833 2.579 3.092 . 0 0 "[ . 1 . 2 . 3 ]" 1
1205 1 40 ALA HA 1 89 LEU HA . . 3.630 2.272 1.976 2.949 . 0 0 "[ . 1 . 2 . 3 ]" 1
1206 1 40 ALA HA 1 90 LYS QD . . 4.120 4.449 3.103 5.005 0.885 9 14 "[ ** ** *+1-* ** * *2 * *3 ]" 1
1207 1 10 PHE H 1 10 PHE HB3 . . 3.820 2.610 2.053 3.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
1208 1 10 PHE H 1 10 PHE HB2 . . 3.820 2.846 2.408 3.629 . 0 0 "[ . 1 . 2 . 3 ]" 1
1209 1 39 VAL H 1 39 VAL HB . . 3.670 3.846 3.753 3.939 0.269 17 0 "[ . 1 . 2 . 3 ]" 1
1210 1 10 PHE QD 1 95 ALA MB . . 5.500 3.511 2.263 4.404 . 0 0 "[ . 1 . 2 . 3 ]" 1
1211 1 89 LEU QB 1 91 ARG H . . 3.540 2.635 2.380 2.995 . 0 0 "[ . 1 . 2 . 3 ]" 1
1212 1 90 LYS HA 1 91 ARG H . . 3.490 3.334 3.185 3.430 . 0 0 "[ . 1 . 2 . 3 ]" 1
1213 1 90 LYS HA 1 90 LYS HB3 . . 2.890 2.407 2.356 2.476 . 0 0 "[ . 1 . 2 . 3 ]" 1
1214 1 90 LYS HA 1 90 LYS QD . . 3.680 2.566 2.072 3.846 0.166 18 0 "[ . 1 . 2 . 3 ]" 1
1215 1 90 LYS HA 1 90 LYS HB2 . . 2.890 3.011 2.964 3.032 0.142 10 0 "[ . 1 . 2 . 3 ]" 1
1216 1 90 LYS HB3 1 91 ARG H . . 3.860 4.251 3.955 4.430 0.570 6 7 "[ .+ *1 * . 2*- *.* 3 ]" 1
1217 1 90 LYS HB2 1 91 ARG H . . 3.860 3.425 2.894 3.793 . 0 0 "[ . 1 . 2 . 3 ]" 1
1218 1 89 LEU QD 1 92 PRO HA . . 4.970 2.884 1.999 4.454 . 0 0 "[ . 1 . 2 . 3 ]" 1
1219 1 94 LYS QB 1 95 ALA H . . 3.920 2.481 1.964 4.027 0.107 23 0 "[ . 1 . 2 . 3 ]" 1
1220 1 94 LYS H 1 94 LYS QB . . 3.630 2.643 1.875 3.205 . 0 0 "[ . 1 . 2 . 3 ]" 1
1221 1 10 PHE HB2 1 119 ALA MB . . 5.440 3.726 2.590 4.835 . 0 0 "[ . 1 . 2 . 3 ]" 1
1222 1 10 PHE HB3 1 119 ALA MB . . 5.440 3.274 2.223 4.416 . 0 0 "[ . 1 . 2 . 3 ]" 1
1223 1 40 ALA HA 1 90 LYS H . . 3.530 3.922 3.113 4.156 0.626 30 11 "[ ** * 1* ** - * * . *+ ]" 1
1224 1 86 LEU H 1 86 LEU MD1 . . 5.050 2.769 2.415 2.902 . 0 0 "[ . 1 . 2 . 3 ]" 1
1225 1 16 ALA H 1 86 LEU H . . 4.160 3.084 2.907 3.325 . 0 0 "[ . 1 . 2 . 3 ]" 1
1226 1 85 MET H 1 85 MET HG2 . . 5.500 4.785 4.017 4.979 . 0 0 "[ . 1 . 2 . 3 ]" 1
1227 1 7 TRP HD1 1 118 GLU H . . 4.730 3.066 2.278 4.389 . 0 0 "[ . 1 . 2 . 3 ]" 1
1228 1 99 VAL H 1 99 VAL MG1 . . 4.190 3.868 3.737 4.117 . 0 0 "[ . 1 . 2 . 3 ]" 1
1229 1 15 ASN QD 1 16 ALA H . . 4.900 4.786 3.804 5.358 0.458 24 0 "[ . 1 . 2 . 3 ]" 1
1230 1 16 ALA H 1 86 LEU MD1 . . 5.640 4.828 4.458 5.275 . 0 0 "[ . 1 . 2 . 3 ]" 1
1231 1 100 GLU H 1 101 LEU H . . 5.040 4.583 4.403 4.646 . 0 0 "[ . 1 . 2 . 3 ]" 1
1232 1 7 TRP H 1 7 TRP HD1 . . 5.390 4.963 4.249 5.313 . 0 0 "[ . 1 . 2 . 3 ]" 1
1233 1 7 TRP H 1 7 TRP HB3 . . 4.160 3.349 3.017 3.557 . 0 0 "[ . 1 . 2 . 3 ]" 1
1234 1 7 TRP H 1 7 TRP HB2 . . 3.910 3.964 3.042 4.106 0.196 10 0 "[ . 1 . 2 . 3 ]" 1
1235 1 37 THR H 1 40 ALA H . . 5.330 4.776 4.024 5.008 . 0 0 "[ . 1 . 2 . 3 ]" 1
1236 1 95 ALA MB 1 96 GLY H . . 4.350 3.036 2.257 3.507 . 0 0 "[ . 1 . 2 . 3 ]" 1
1237 1 96 GLY H 1 97 GLU H . . 3.610 2.550 2.174 2.958 . 0 0 "[ . 1 . 2 . 3 ]" 1
1238 1 42 ARG H 1 87 LEU H . . 3.810 3.280 2.971 3.924 0.114 17 0 "[ . 1 . 2 . 3 ]" 1
1239 1 90 LYS H 1 90 LYS HB3 . . 3.800 3.763 3.587 4.130 0.330 30 0 "[ . 1 . 2 . 3 ]" 1
1240 1 16 ALA MB 1 17 ALA H . . 4.120 2.084 1.983 2.223 . 0 0 "[ . 1 . 2 . 3 ]" 1
1241 1 99 VAL H 1 100 GLU H . . 4.870 4.337 4.048 4.541 . 0 0 "[ . 1 . 2 . 3 ]" 1
1242 1 10 PHE H 1 10 PHE QD . . 4.470 4.241 3.874 4.673 0.203 10 0 "[ . 1 . 2 . 3 ]" 1
1243 1 10 PHE QE 1 95 ALA H . . 4.070 3.842 3.022 3.975 . 0 0 "[ . 1 . 2 . 3 ]" 1
1244 1 88 GLY H 1 89 LEU H . . 3.510 2.599 2.370 3.149 . 0 0 "[ . 1 . 2 . 3 ]" 1
1245 1 10 PHE QD 1 95 ALA H . . 4.840 3.216 2.109 4.866 0.026 16 0 "[ . 1 . 2 . 3 ]" 1
1246 1 15 ASN HA 1 16 ALA H . . 3.210 2.221 2.041 2.428 . 0 0 "[ . 1 . 2 . 3 ]" 1
1247 1 15 ASN HA 1 89 LEU H . . 4.400 4.281 3.762 4.511 0.111 26 0 "[ . 1 . 2 . 3 ]" 1
1248 1 15 ASN HA 1 88 GLY H . . 3.830 3.482 3.167 3.886 0.056 17 0 "[ . 1 . 2 . 3 ]" 1
1249 1 15 ASN HA 1 89 LEU HG . . 4.150 4.002 3.171 4.496 0.346 30 0 "[ . 1 . 2 . 3 ]" 1
1250 1 15 ASN HA 1 89 LEU QD . . 4.910 3.895 2.227 4.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
1251 1 37 THR HG1 1 101 LEU MD1 . . 6.600 3.260 2.357 5.722 . 0 0 "[ . 1 . 2 . 3 ]" 1
1252 1 17 ALA HA 1 86 LEU MD2 . . 4.730 4.402 3.996 5.131 0.401 30 0 "[ . 1 . 2 . 3 ]" 1
1253 1 37 THR HA 1 38 PRO HD3 . . 3.410 2.409 2.301 2.663 . 0 0 "[ . 1 . 2 . 3 ]" 1
1254 1 37 THR HA 1 101 LEU MD2 . . 5.500 5.185 3.677 5.533 0.033 4 0 "[ . 1 . 2 . 3 ]" 1
1255 1 7 TRP HD1 1 9 ARG HA . . 4.000 3.286 2.353 3.944 . 0 0 "[ . 1 . 2 . 3 ]" 1
1256 1 7 TRP HE1 1 9 ARG HA . . 4.750 3.935 2.752 4.308 . 0 0 "[ . 1 . 2 . 3 ]" 1
1257 1 40 ALA HA 1 41 GLU H . . 3.080 2.296 2.132 2.493 . 0 0 "[ . 1 . 2 . 3 ]" 1
1258 1 95 ALA MB 1 118 GLU HA . . 4.180 3.271 2.265 4.816 0.636 5 1 "[ + 1 . 2 . 3 ]" 1
1259 1 118 GLU HA 1 118 GLU QG . . 3.370 2.558 2.158 3.456 0.086 19 0 "[ . 1 . 2 . 3 ]" 1
1260 1 10 PHE QD 1 119 ALA HA . . 4.720 3.256 2.163 3.990 . 0 0 "[ . 1 . 2 . 3 ]" 1
1261 1 118 GLU HA 1 119 ALA H . . 3.420 2.412 2.108 2.761 . 0 0 "[ . 1 . 2 . 3 ]" 1
1262 1 15 ASN QB 1 87 LEU HA . . 3.360 3.156 2.122 4.361 1.001 26 3 "[ . - 1 * . 2 .+ 3 ]" 1
1263 1 15 ASN HA 1 87 LEU HA . . 3.720 2.456 2.169 2.907 . 0 0 "[ . 1 . 2 . 3 ]" 1
1264 1 87 LEU HA 1 88 GLY H . . 2.950 2.183 2.040 2.259 . 0 0 "[ . 1 . 2 . 3 ]" 1
1265 1 87 LEU HA 1 87 LEU QD . . 3.450 2.782 2.124 3.212 . 0 0 "[ . 1 . 2 . 3 ]" 1
1266 1 91 ARG HA 1 91 ARG QD . . 4.210 3.577 2.117 4.594 0.384 18 0 "[ . 1 . 2 . 3 ]" 1
1267 1 10 PHE QD 1 11 SER HA . . 4.810 3.152 2.752 3.643 . 0 0 "[ . 1 . 2 . 3 ]" 1
1268 1 11 SER HA 1 12 PRO HD2 . . 3.330 2.438 2.198 2.783 . 0 0 "[ . 1 . 2 . 3 ]" 1
1269 1 10 PHE QE 1 11 SER HA . . 4.470 3.312 3.274 3.357 . 0 0 "[ . 1 . 2 . 3 ]" 1
1270 1 94 LYS HA 1 95 ALA MB . . 4.070 4.117 3.862 4.415 0.345 16 0 "[ . 1 . 2 . 3 ]" 1
1271 1 94 LYS HA 1 95 ALA H . . 2.620 2.408 1.984 2.788 0.168 11 0 "[ . 1 . 2 . 3 ]" 1
1272 1 10 PHE QE 1 94 LYS HA . . 3.520 2.950 2.141 4.250 0.730 23 1 "[ . 1 . 2 + . 3 ]" 1
1273 1 10 PHE QD 1 94 LYS HA . . 4.530 2.708 2.037 4.486 . 0 0 "[ . 1 . 2 . 3 ]" 1
1274 1 89 LEU HA 1 90 LYS H . . 2.640 2.154 1.973 3.354 0.714 30 1 "[ . 1 . 2 . + ]" 1
1275 1 89 LEU HA 1 89 LEU HG . . 4.200 3.716 3.544 3.827 . 0 0 "[ . 1 . 2 . 3 ]" 1
1276 1 89 LEU HA 1 91 ARG H . . 3.970 3.960 3.765 4.033 0.063 6 0 "[ . 1 . 2 . 3 ]" 1
1277 1 13 GLY QA 1 89 LEU QD . . 4.010 4.154 3.566 5.041 1.031 30 5 "[ -. 1 .** 2* . + ]" 1
1278 1 86 LEU HA 1 87 LEU H . . 3.210 2.194 2.139 2.246 . 0 0 "[ . 1 . 2 . 3 ]" 1
1279 1 39 VAL HA 1 40 ALA MB . . 4.880 4.482 4.410 4.646 . 0 0 "[ . 1 . 2 . 3 ]" 1
1280 1 86 LEU HA 1 86 LEU MD1 . . 3.910 2.817 2.655 2.994 . 0 0 "[ . 1 . 2 . 3 ]" 1
1281 1 11 SER QB 1 16 ALA MB . . 3.510 2.926 2.159 4.096 0.586 24 1 "[ . 1 . 2 +. 3 ]" 1
1282 1 99 VAL HA 1 99 VAL MG2 . . 3.430 2.360 2.259 2.734 . 0 0 "[ . 1 . 2 . 3 ]" 1
1283 1 10 PHE HA 1 10 PHE QE . . 4.730 4.918 4.551 5.382 0.652 7 4 "[ .-+ 1 *. 2 .* 3 ]" 1
1284 1 10 PHE HA 1 10 PHE QD . . 4.060 3.101 2.651 3.584 . 0 0 "[ . 1 . 2 . 3 ]" 1
1285 1 10 PHE QD 1 95 ALA HA . . 5.090 4.105 3.467 4.652 . 0 0 "[ . 1 . 2 . 3 ]" 1
1286 1 95 ALA HA 1 117 VAL MG1 . . 3.580 2.972 2.154 4.076 0.496 15 0 "[ . 1 . 2 . 3 ]" 1
1287 1 15 ASN QB 1 16 ALA H . . 3.670 2.627 2.297 3.151 . 0 0 "[ . 1 . 2 . 3 ]" 1
1288 1 41 GLU HA 1 41 GLU HG2 . . 4.170 3.420 2.437 3.741 . 0 0 "[ . 1 . 2 . 3 ]" 1
1289 1 12 PRO HB2 1 13 GLY H . . 4.090 4.156 1.797 4.487 0.397 2 0 "[ . 1 . 2 . 3 ]" 1
1290 1 10 PHE QE 1 12 PRO QG . . 5.810 3.937 3.096 4.995 . 0 0 "[ . 1 . 2 . 3 ]" 1
1291 1 12 PRO HB3 1 13 GLY H . . 4.090 4.510 3.408 4.660 0.570 14 12 "[ * * *** +* - 2 * * * * ]" 1
1292 1 90 LYS H 1 90 LYS HB2 . . 3.800 2.637 2.379 3.685 . 0 0 "[ . 1 . 2 . 3 ]" 1
1293 1 91 ARG HB3 1 91 ARG QD . . 3.790 2.537 2.185 3.212 . 0 0 "[ . 1 . 2 . 3 ]" 1
1294 1 100 GLU H 1 100 GLU QB . . 3.220 2.584 2.211 3.174 . 0 0 "[ . 1 . 2 . 3 ]" 1
1295 1 99 VAL HB 1 100 GLU H . . 3.870 4.244 3.578 4.482 0.612 23 7 "[ ** * - 1 * . 2 + . * 3 ]" 1
1296 1 87 LEU HB2 1 88 GLY H . . 4.460 4.142 3.827 4.465 0.005 5 0 "[ . 1 . 2 . 3 ]" 1
1297 1 89 LEU H 1 89 LEU HG . . 3.310 2.174 1.896 4.792 1.482 30 1 "[ . 1 . 2 . + ]" 1
1298 1 86 LEU H 1 86 LEU HB3 . . 3.940 3.629 3.485 3.682 . 0 0 "[ . 1 . 2 . 3 ]" 1
1299 1 86 LEU H 1 86 LEU HG . . 4.740 4.305 3.949 4.434 . 0 0 "[ . 1 . 2 . 3 ]" 1
1300 1 16 ALA MB 1 86 LEU H . . 5.400 3.746 3.461 3.990 . 0 0 "[ . 1 . 2 . 3 ]" 1
1301 1 16 ALA H 1 16 ALA MB . . 3.600 2.658 2.290 2.874 . 0 0 "[ . 1 . 2 . 3 ]" 1
1302 1 15 ASN HA 1 16 ALA MB . . 5.380 3.787 3.418 4.129 . 0 0 "[ . 1 . 2 . 3 ]" 1
1303 1 119 ALA MB 1 120 ARG HA . . 4.440 4.190 3.307 5.096 0.656 20 2 "[ . 1- . + . 3 ]" 1
1304 1 10 PHE QE 1 119 ALA MB . . 5.450 4.177 2.966 5.130 . 0 0 "[ . 1 . 2 . 3 ]" 1
1305 1 10 PHE QD 1 119 ALA MB . . 4.880 3.186 2.299 3.820 . 0 0 "[ . 1 . 2 . 3 ]" 1
1306 1 16 ALA H 1 86 LEU HB2 . . 4.130 3.198 2.724 3.783 . 0 0 "[ . 1 . 2 . 3 ]" 1
1307 1 86 LEU H 1 86 LEU HB2 . . 3.940 2.391 2.164 2.453 . 0 0 "[ . 1 . 2 . 3 ]" 1
1308 1 95 ALA H 1 95 ALA MB . . 3.190 2.304 2.174 2.946 . 0 0 "[ . 1 . 2 . 3 ]" 1
1309 1 10 PHE QE 1 95 ALA MB . . 4.730 4.319 3.527 4.891 0.161 10 0 "[ . 1 . 2 . 3 ]" 1
1310 1 95 ALA MB 1 97 GLU H . . 5.130 4.731 4.458 4.982 . 0 0 "[ . 1 . 2 . 3 ]" 1
1311 1 40 ALA MB 1 41 GLU HA . . 4.600 4.224 3.858 4.604 0.004 13 0 "[ . 1 . 2 . 3 ]" 1
1312 1 40 ALA MB 1 41 GLU H . . 3.800 2.635 2.225 3.296 . 0 0 "[ . 1 . 2 . 3 ]" 1
1313 1 17 ALA MB 1 86 LEU H . . 4.970 4.023 3.730 4.522 . 0 0 "[ . 1 . 2 . 3 ]" 1
1314 1 39 VAL H 1 39 VAL MG1 . . 3.790 2.895 2.533 3.162 . 0 0 "[ . 1 . 2 . 3 ]" 1
1315 1 10 PHE HA 1 117 VAL MG1 . . 4.200 2.726 2.073 3.687 . 0 0 "[ . 1 . 2 . 3 ]" 1
1316 1 39 VAL MG2 1 40 ALA H . . 3.530 3.988 3.677 4.185 0.655 16 15 "[ -. * * *.+ **2*** * ****]" 1
1317 1 89 LEU H 1 89 LEU QD . . 4.200 2.749 2.340 3.058 . 0 0 "[ . 1 . 2 . 3 ]" 1
1318 1 91 ARG H 1 93 LEU QD . . 4.280 4.259 3.461 5.379 1.099 16 7 "[ * . 1 * *+ ** . -3 ]" 1
1319 1 99 VAL MG2 1 100 GLU H . . 4.210 3.887 3.702 4.204 . 0 0 "[ . 1 . 2 . 3 ]" 1
1320 1 13 GLY H 1 89 LEU QD . . 4.470 4.080 2.805 5.821 1.351 16 2 "[ . 1 .+ 2- . 3 ]" 1
1321 1 89 LEU QD 1 91 ARG H . . 4.630 3.253 2.754 3.968 . 0 0 "[ . 1 . 2 . 3 ]" 1
1322 1 99 VAL MG1 1 100 GLU H . . 3.880 2.635 2.046 3.013 . 0 0 "[ . 1 . 2 . 3 ]" 1
1323 1 101 LEU H 1 101 LEU MD2 . . 5.500 4.419 3.170 4.843 . 0 0 "[ . 1 . 2 . 3 ]" 1
1324 1 10 PHE HZ 1 94 LYS HA . . 6.210 5.120 3.961 6.656 0.446 23 0 "[ . 1 . 2 . 3 ]" 1
1325 1 10 PHE HZ 1 12 PRO QG . . 6.600 4.360 2.736 5.673 . 0 0 "[ . 1 . 2 . 3 ]" 1
1326 1 10 PHE HZ 1 12 PRO HD3 . . 6.600 3.576 2.664 4.802 . 0 0 "[ . 1 . 2 . 3 ]" 1
1327 1 10 PHE HZ 1 12 PRO HD2 . . 6.600 5.110 3.361 6.567 . 0 0 "[ . 1 . 2 . 3 ]" 1
1328 1 2 SER QB 1 3 PHE QD . . 5.120 4.154 2.339 5.121 0.001 27 0 "[ . 1 . 2 . 3 ]" 1
1329 1 3 PHE QB 1 4 THR H . . 4.290 2.997 1.906 3.991 . 0 0 "[ . 1 . 2 . 3 ]" 1
1330 1 3 PHE QB 1 4 THR MG . . 5.550 4.659 3.051 5.586 0.036 29 0 "[ . 1 . 2 . 3 ]" 1
1331 1 6 GLY QA 1 20 LEU HA . . 4.100 2.085 1.837 2.887 . 0 0 "[ . 1 . 2 . 3 ]" 1
1332 1 7 TRP HB2 1 116 PRO QB . . 5.070 4.152 3.659 4.810 . 0 0 "[ . 1 . 2 . 3 ]" 1
1333 1 7 TRP HB2 1 116 PRO QG . . 5.150 3.058 2.483 4.918 . 0 0 "[ . 1 . 2 . 3 ]" 1
1334 1 7 TRP HB3 1 116 PRO QB . . 4.880 4.536 3.691 4.962 0.082 22 0 "[ . 1 . 2 . 3 ]" 1
1335 1 9 ARG H 1 9 ARG QD . . 4.920 4.473 3.795 4.925 0.005 11 0 "[ . 1 . 2 . 3 ]" 1
1336 1 10 PHE H 1 10 PHE QB . . 3.300 2.394 2.018 3.077 . 0 0 "[ . 1 . 2 . 3 ]" 1
1337 1 10 PHE HA 1 11 SER QB . . 4.780 4.242 4.009 4.466 . 0 0 "[ . 1 . 2 . 3 ]" 1
1338 1 10 PHE QB 1 95 ALA MB . . 5.600 3.463 2.527 4.513 . 0 0 "[ . 1 . 2 . 3 ]" 1
1339 1 10 PHE QB 1 117 VAL MG1 . . 3.950 2.563 2.070 3.251 . 0 0 "[ . 1 . 2 . 3 ]" 1
1340 1 10 PHE QB 1 119 ALA HA . . 3.480 2.227 1.965 2.841 . 0 0 "[ . 1 . 2 . 3 ]" 1
1341 1 10 PHE QB 1 119 ALA MB . . 4.570 3.014 2.147 4.016 . 0 0 "[ . 1 . 2 . 3 ]" 1
1342 1 10 PHE QE 1 12 PRO QD . . 5.000 2.546 2.110 3.435 . 0 0 "[ . 1 . 2 . 3 ]" 1
1343 1 11 SER HA 1 12 PRO QD . . 2.910 2.118 2.045 2.205 . 0 0 "[ . 1 . 2 . 3 ]" 1
1344 1 11 SER QB 1 12 PRO QD . . 3.730 3.061 2.206 3.681 . 0 0 "[ . 1 . 2 . 3 ]" 1
1345 1 11 SER QB 1 16 ALA HA . . 4.750 3.229 2.559 4.255 . 0 0 "[ . 1 . 2 . 3 ]" 1
1346 1 11 SER QB 1 89 LEU QD . . 4.230 3.765 2.570 5.711 1.481 24 7 "[ . ** - * 2* +. * 3 ]" 1
1347 1 11 SER QB 1 93 LEU QD . . 4.500 3.540 2.044 5.455 0.955 11 2 "[ . 1+ . 2 . - 3 ]" 1
1348 1 12 PRO QB 1 13 GLY H . . 3.450 3.824 1.791 4.068 0.618 2 12 "[ + * *** -* * 2 * * * * ]" 1
1349 1 12 PRO QD 1 13 GLY H . . 4.420 3.042 2.353 3.964 . 0 0 "[ . 1 . 2 . 3 ]" 1
1350 1 13 GLY QA 1 14 PRO HA . . 3.110 4.034 3.956 4.142 1.032 5 31 [****+**-***********************] 1
1351 1 13 GLY QA 1 89 LEU HG . . 5.150 5.753 5.187 6.865 1.715 17 17 "[ * *.* -** *.*+* ** * * * *3*]" 1
1352 1 14 PRO QG 1 15 ASN H . . 4.270 2.635 2.352 2.939 . 0 0 "[ . 1 . 2 . 3 ]" 1
1353 1 15 ASN H 1 15 ASN QB . . 3.370 2.804 2.371 3.185 . 0 0 "[ . 1 . 2 . 3 ]" 1
1354 1 15 ASN QB 1 88 GLY H . . 4.720 4.170 3.043 5.198 0.478 26 0 "[ . 1 . 2 . 3 ]" 1
1355 1 16 ALA H 1 86 LEU QB . . 3.590 3.080 2.649 3.592 0.002 6 0 "[ . 1 . 2 . 3 ]" 1
1356 1 17 ALA HA 1 84 PHE QB . . 4.960 4.324 4.070 4.614 . 0 0 "[ . 1 . 2 . 3 ]" 1
1357 1 18 ALA H 1 84 PHE QB . . 4.440 3.076 2.668 3.501 . 0 0 "[ . 1 . 2 . 3 ]" 1
1358 1 18 ALA MB 1 84 PHE QB . . 3.300 2.365 2.116 2.869 . 0 0 "[ . 1 . 2 . 3 ]" 1
1359 1 21 THR HA 1 76 GLU QB . . 3.280 2.712 2.024 3.346 0.066 20 0 "[ . 1 . 2 . 3 ]" 1
1360 1 21 THR MG 1 74 ARG QD . . 4.420 3.157 2.016 4.275 . 0 0 "[ . 1 . 2 . 3 ]" 1
1361 1 21 THR MG 1 76 GLU QB . . 4.050 3.185 2.106 4.123 0.073 20 0 "[ . 1 . 2 . 3 ]" 1
1362 1 21 THR MG 1 76 GLU QG . . 3.750 2.923 1.934 3.871 0.121 2 0 "[ . 1 . 2 . 3 ]" 1
1363 1 22 LEU H 1 76 GLU QB . . 4.080 3.844 2.734 4.121 0.041 6 0 "[ . 1 . 2 . 3 ]" 1
1364 1 23 GLU H 1 23 GLU QB . . 3.610 2.815 2.349 3.342 . 0 0 "[ . 1 . 2 . 3 ]" 1
1365 1 23 GLU H 1 23 GLU QG . . 4.970 2.923 2.272 4.124 . 0 0 "[ . 1 . 2 . 3 ]" 1
1366 1 23 GLU QB 1 74 ARG HA . . 4.400 3.752 2.137 4.446 0.046 18 0 "[ . 1 . 2 . 3 ]" 1
1367 1 23 GLU QG 1 74 ARG HA . . 5.320 4.286 2.298 5.341 0.021 12 0 "[ . 1 . 2 . 3 ]" 1
1368 1 24 ASN HD21 1 30 LEU QD . . 5.240 3.392 2.653 3.804 . 0 0 "[ . 1 . 2 . 3 ]" 1
1369 1 24 ASN HD22 1 30 LEU QD . . 5.440 3.023 2.130 3.713 . 0 0 "[ . 1 . 2 . 3 ]" 1
1370 1 26 GLY QA 1 28 LEU H . . 3.890 3.007 2.784 3.270 . 0 0 "[ . 1 . 2 . 3 ]" 1
1371 1 27 ASP H 1 28 LEU QB . . 4.320 4.351 4.308 4.379 0.059 7 0 "[ . 1 . 2 . 3 ]" 1
1372 1 27 ASP H 1 28 LEU QD . . 5.440 3.789 2.425 4.552 . 0 0 "[ . 1 . 2 . 3 ]" 1
1373 1 28 LEU H 1 28 LEU QB . . 3.030 2.899 2.547 3.107 0.077 31 0 "[ . 1 . 2 . 3 ]" 1
1374 1 28 LEU H 1 28 LEU QD . . 4.180 2.978 1.758 3.569 . 0 0 "[ . 1 . 2 . 3 ]" 1
1375 1 28 LEU HA 1 28 LEU QD . . 4.010 3.351 2.159 3.482 . 0 0 "[ . 1 . 2 . 3 ]" 1
1376 1 28 LEU QB 1 29 PRO HD2 . . 3.740 2.119 1.948 2.299 . 0 0 "[ . 1 . 2 . 3 ]" 1
1377 1 28 LEU QB 1 29 PRO HD3 . . 3.330 3.048 2.823 3.188 . 0 0 "[ . 1 . 2 . 3 ]" 1
1378 1 28 LEU QD 1 29 PRO HD2 . . 5.020 3.104 2.728 3.468 . 0 0 "[ . 1 . 2 . 3 ]" 1
1379 1 28 LEU QD 1 29 PRO HD3 . . 4.490 4.003 2.969 4.365 . 0 0 "[ . 1 . 2 . 3 ]" 1
1380 1 30 LEU HA 1 30 LEU QD . . 3.480 2.131 1.996 2.298 . 0 0 "[ . 1 . 2 . 3 ]" 1
1381 1 30 LEU HB2 1 30 LEU QD . . 3.070 2.230 2.132 2.544 . 0 0 "[ . 1 . 2 . 3 ]" 1
1382 1 30 LEU QD 1 69 VAL HB . . 4.550 3.905 3.329 4.615 0.065 9 0 "[ . 1 . 2 . 3 ]" 1
1383 1 30 LEU QD 1 105 PHE HB3 . . 4.870 2.928 2.312 4.302 . 0 0 "[ . 1 . 2 . 3 ]" 1
1384 1 30 LEU QD 1 105 PHE QD . . 4.440 2.822 2.056 3.560 . 0 0 "[ . 1 . 2 . 3 ]" 1
1385 1 31 ARG H 1 31 ARG QB . . 3.270 2.704 2.559 2.857 . 0 0 "[ . 1 . 2 . 3 ]" 1
1386 1 31 ARG H 1 31 ARG QD . . 5.340 5.238 4.934 5.365 0.025 23 0 "[ . 1 . 2 . 3 ]" 1
1387 1 31 ARG QB 1 66 PHE QD . . 4.470 4.465 4.383 4.544 0.074 8 0 "[ . 1 . 2 . 3 ]" 1
1388 1 31 ARG QB 1 69 VAL H . . 5.160 4.483 4.053 4.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
1389 1 31 ARG QB 1 105 PHE HA . . 4.400 4.448 4.389 4.480 0.080 17 0 "[ . 1 . 2 . 3 ]" 1
1390 1 31 ARG QG 1 32 LEU H . . 4.400 3.089 2.876 3.502 . 0 0 "[ . 1 . 2 . 3 ]" 1
1391 1 31 ARG QG 1 66 PHE QB . . 3.700 2.515 2.261 2.888 . 0 0 "[ . 1 . 2 . 3 ]" 1
1392 1 31 ARG QG 1 66 PHE QD . . 3.980 2.456 2.264 3.194 . 0 0 "[ . 1 . 2 . 3 ]" 1
1393 1 31 ARG QG 1 66 PHE QE . . 5.750 3.714 3.353 4.538 . 0 0 "[ . 1 . 2 . 3 ]" 1
1394 1 31 ARG QG 1 106 ALA H . . 4.260 3.788 3.311 4.248 . 0 0 "[ . 1 . 2 . 3 ]" 1
1395 1 31 ARG QD 1 66 PHE HA . . 5.740 5.661 5.324 5.769 0.029 7 0 "[ . 1 . 2 . 3 ]" 1
1396 1 31 ARG QD 1 66 PHE QD . . 4.450 2.931 2.071 3.476 . 0 0 "[ . 1 . 2 . 3 ]" 1
1397 1 31 ARG QD 1 106 ALA MB . . 4.640 3.539 2.398 4.638 . 0 0 "[ . 1 . 2 . 3 ]" 1
1398 1 32 LEU H 1 66 PHE QB . . 5.340 3.669 3.408 3.908 . 0 0 "[ . 1 . 2 . 3 ]" 1
1399 1 32 LEU HA 1 32 LEU QD . . 3.480 2.465 2.135 3.181 . 0 0 "[ . 1 . 2 . 3 ]" 1
1400 1 32 LEU QD 1 33 VAL H . . 4.180 2.985 2.551 3.615 . 0 0 "[ . 1 . 2 . 3 ]" 1
1401 1 32 LEU QD 1 34 GLY H . . 4.240 2.753 2.280 3.315 . 0 0 "[ . 1 . 2 . 3 ]" 1
1402 1 32 LEU QD 1 67 LEU MD1 . . 5.200 2.497 2.184 3.072 . 0 0 "[ . 1 . 2 . 3 ]" 1
1403 1 32 LEU QD 1 84 PHE HZ . . 3.680 2.044 1.842 2.589 . 0 0 "[ . 1 . 2 . 3 ]" 1
1404 1 32 LEU QD 1 105 PHE HA . . 5.180 3.849 3.218 4.930 . 0 0 "[ . 1 . 2 . 3 ]" 1
1405 1 32 LEU QD 1 105 PHE QD . . 5.020 3.566 2.146 4.321 . 0 0 "[ . 1 . 2 . 3 ]" 1
1406 1 32 LEU QD 1 105 PHE QE . . 4.450 3.003 2.045 3.426 . 0 0 "[ . 1 . 2 . 3 ]" 1
1407 1 33 VAL HA 1 66 PHE QB . . 3.520 2.276 2.202 2.366 . 0 0 "[ . 1 . 2 . 3 ]" 1
1408 1 33 VAL HB 1 66 PHE QB . . 3.870 3.418 3.109 3.682 . 0 0 "[ . 1 . 2 . 3 ]" 1
1409 1 33 VAL MG1 1 66 PHE QB . . 3.950 2.087 2.024 2.170 . 0 0 "[ . 1 . 2 . 3 ]" 1
1410 1 33 VAL MG2 1 66 PHE QB . . 5.790 4.244 4.148 4.315 . 0 0 "[ . 1 . 2 . 3 ]" 1
1411 1 34 GLY HA2 1 104 LEU QD . . 5.080 3.678 3.542 3.759 . 0 0 "[ . 1 . 2 . 3 ]" 1
1412 1 34 GLY HA3 1 104 LEU QD . . 4.910 2.243 2.085 2.387 . 0 0 "[ . 1 . 2 . 3 ]" 1
1413 1 35 ALA H 1 104 LEU QD . . 4.380 2.720 2.533 2.900 . 0 0 "[ . 1 . 2 . 3 ]" 1
1414 1 35 ALA HA 1 104 LEU QD . . 4.780 3.328 3.169 3.443 . 0 0 "[ . 1 . 2 . 3 ]" 1
1415 1 35 ALA MB 1 101 LEU QD . . 4.750 2.524 1.929 3.365 . 0 0 "[ . 1 . 2 . 3 ]" 1
1416 1 36 ARG H 1 101 LEU QB . . 4.440 4.246 3.367 4.543 0.103 4 0 "[ . 1 . 2 . 3 ]" 1
1417 1 36 ARG H 1 101 LEU QD . . 4.570 3.695 2.801 4.577 0.007 3 0 "[ . 1 . 2 . 3 ]" 1
1418 1 37 THR HA 1 101 LEU QD . . 4.440 4.018 3.304 4.595 0.155 10 0 "[ . 1 . 2 . 3 ]" 1
1419 1 37 THR HB 1 101 LEU QD . . 3.770 2.505 1.904 3.363 . 0 0 "[ . 1 . 2 . 3 ]" 1
1420 1 37 THR HG1 1 101 LEU QD . . 5.630 2.939 2.259 4.193 . 0 0 "[ . 1 . 2 . 3 ]" 1
1421 1 39 VAL HA 1 90 LYS QG . . 3.930 2.820 2.329 3.750 . 0 0 "[ . 1 . 2 . 3 ]" 1
1422 1 40 ALA H 1 90 LYS QG . . 4.900 3.164 2.447 5.083 0.183 13 0 "[ . 1 . 2 . 3 ]" 1
1423 1 40 ALA H 1 90 LYS QE . . 5.340 3.814 2.693 4.743 . 0 0 "[ . 1 . 2 . 3 ]" 1
1424 1 40 ALA HA 1 90 LYS QG . . 3.510 3.657 2.822 4.864 1.354 31 5 "[ . 1 * . - * * . 3+]" 1
1425 1 41 GLU H 1 41 GLU QG . . 4.010 4.113 3.902 4.320 0.310 27 0 "[ . 1 . 2 . 3 ]" 1
1426 1 41 GLU H 1 88 GLY QA . . 3.480 2.964 2.607 3.441 . 0 0 "[ . 1 . 2 . 3 ]" 1
1427 1 41 GLU H 1 90 LYS QG . . 4.100 4.530 4.023 4.625 0.525 1 11 "[+ . * - **. *** * . *3*]" 1
1428 1 41 GLU HA 1 90 LYS QE . . 3.780 3.032 2.500 3.711 . 0 0 "[ . 1 . 2 . 3 ]" 1
1429 1 41 GLU QB 1 88 GLY H . . 4.720 4.818 4.340 6.143 1.423 27 3 "[ . 1 . - 2* . + 3 ]" 1
1430 1 41 GLU QB 1 88 GLY QA . . 3.690 2.467 2.138 3.786 0.096 27 0 "[ . 1 . 2 . 3 ]" 1
1431 1 41 GLU QG 1 42 ARG H . . 4.370 4.036 3.205 4.394 0.024 31 0 "[ . 1 . 2 . 3 ]" 1
1432 1 42 ARG H 1 42 ARG QB . . 3.600 2.568 2.151 3.225 . 0 0 "[ . 1 . 2 . 3 ]" 1
1433 1 42 ARG H 1 42 ARG QG . . 3.810 3.162 2.450 3.869 0.059 7 0 "[ . 1 . 2 . 3 ]" 1
1434 1 42 ARG H 1 42 ARG QD . . 5.100 4.305 2.230 5.105 0.005 30 0 "[ . 1 . 2 . 3 ]" 1
1435 1 42 ARG H 1 88 GLY QA . . 4.740 3.832 2.843 4.562 . 0 0 "[ . 1 . 2 . 3 ]" 1
1436 1 42 ARG QG 1 43 VAL H . . 4.610 3.880 2.538 4.614 0.004 10 0 "[ . 1 . 2 . 3 ]" 1
1437 1 42 ARG QD 1 87 LEU QD . . 5.340 3.259 2.162 4.669 . 0 0 "[ . 1 . 2 . 3 ]" 1
1438 1 43 VAL HA 1 86 LEU QB . . 4.630 4.642 4.505 4.679 0.049 8 0 "[ . 1 . 2 . 3 ]" 1
1439 1 43 VAL MG2 1 84 PHE QB . . 3.910 2.298 2.092 2.697 . 0 0 "[ . 1 . 2 . 3 ]" 1
1440 1 44 GLU H 1 44 GLU QB . . 3.590 2.570 2.288 3.183 . 0 0 "[ . 1 . 2 . 3 ]" 1
1441 1 44 GLU H 1 44 GLU QG . . 4.810 3.467 2.186 4.176 . 0 0 "[ . 1 . 2 . 3 ]" 1
1442 1 44 GLU H 1 85 MET QB . . 5.140 3.393 3.047 4.036 . 0 0 "[ . 1 . 2 . 3 ]" 1
1443 1 44 GLU HA 1 44 GLU QG . . 3.640 2.429 2.188 3.364 . 0 0 "[ . 1 . 2 . 3 ]" 1
1444 1 44 GLU QB 1 45 LEU H . . 4.220 2.978 2.438 3.832 . 0 0 "[ . 1 . 2 . 3 ]" 1
1445 1 44 GLU QB 1 46 HIS HD2 . . 3.820 3.257 2.671 3.836 0.016 21 0 "[ . 1 . 2 . 3 ]" 1
1446 1 44 GLU QB 1 85 MET H . . 4.970 3.339 2.846 4.570 . 0 0 "[ . 1 . 2 . 3 ]" 1
1447 1 44 GLU QG 1 45 LEU H . . 4.110 3.753 2.512 4.119 0.009 18 0 "[ . 1 . 2 . 3 ]" 1
1448 1 45 LEU H 1 45 LEU QB . . 3.290 2.471 2.107 3.293 0.003 17 0 "[ . 1 . 2 . 3 ]" 1
1449 1 45 LEU QB 1 64 VAL H . . 4.430 3.808 3.448 4.564 0.134 17 0 "[ . 1 . 2 . 3 ]" 1
1450 1 45 LEU QB 1 64 VAL MG2 . . 4.460 3.305 2.801 3.613 . 0 0 "[ . 1 . 2 . 3 ]" 1
1451 1 46 HIS HA 1 47 GLU QB . . 4.260 4.299 4.207 4.323 0.063 21 0 "[ . 1 . 2 . 3 ]" 1
1452 1 46 HIS HA 1 47 GLU QG . . 4.780 3.978 3.522 4.771 . 0 0 "[ . 1 . 2 . 3 ]" 1
1453 1 46 HIS HD2 1 63 PRO QG . . 4.930 4.406 4.131 4.602 . 0 0 "[ . 1 . 2 . 3 ]" 1
1454 1 46 HIS HD2 1 63 PRO QD . . 5.360 4.192 3.655 4.463 . 0 0 "[ . 1 . 2 . 3 ]" 1
1455 1 46 HIS HD2 1 85 MET QB . . 6.370 4.101 3.757 4.851 . 0 0 "[ . 1 . 2 . 3 ]" 1
1456 1 46 HIS HE1 1 61 MET QG . . 5.810 4.470 4.097 5.155 . 0 0 "[ . 1 . 2 . 3 ]" 1
1457 1 46 HIS HE1 1 85 MET QB . . 4.040 2.521 2.147 2.679 . 0 0 "[ . 1 . 2 . 3 ]" 1
1458 1 46 HIS HE1 1 85 MET QG . . 3.570 2.238 2.035 3.008 . 0 0 "[ . 1 . 2 . 3 ]" 1
1459 1 47 GLU H 1 47 GLU QB . . 3.620 2.799 2.631 3.000 . 0 0 "[ . 1 . 2 . 3 ]" 1
1460 1 47 GLU H 1 47 GLU QG . . 3.950 2.287 2.053 2.973 . 0 0 "[ . 1 . 2 . 3 ]" 1
1461 1 47 GLU HA 1 82 TYR QB . . 4.840 3.821 3.482 4.094 . 0 0 "[ . 1 . 2 . 3 ]" 1
1462 1 47 GLU QB 1 48 THR H . . 3.290 2.474 2.143 2.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
1463 1 47 GLU QB 1 82 TYR QD . . 3.530 2.888 2.442 3.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
1464 1 47 GLU QB 1 82 TYR QE . . 3.220 2.289 2.015 2.718 . 0 0 "[ . 1 . 2 . 3 ]" 1
1465 1 47 GLU QG 1 48 THR H . . 4.480 3.568 2.829 4.272 . 0 0 "[ . 1 . 2 . 3 ]" 1
1466 1 47 GLU QG 1 49 PHE QD . . 4.270 2.959 2.188 4.271 0.001 22 0 "[ . 1 . 2 . 3 ]" 1
1467 1 48 THR HA 1 61 MET QB . . 3.870 3.023 2.444 3.189 . 0 0 "[ . 1 . 2 . 3 ]" 1
1468 1 48 THR HB 1 61 MET QG . . 5.340 5.291 4.987 5.431 0.091 25 0 "[ . 1 . 2 . 3 ]" 1
1469 1 48 THR MG 1 59 MET QB . . 4.900 3.228 2.631 3.965 . 0 0 "[ . 1 . 2 . 3 ]" 1
1470 1 48 THR MG 1 61 MET QG . . 4.710 4.363 3.086 4.715 0.005 6 0 "[ . 1 . 2 . 3 ]" 1
1471 1 48 THR MG 1 80 GLY QA . . 3.960 3.243 2.184 4.008 0.048 30 0 "[ . 1 . 2 . 3 ]" 1
1472 1 49 PHE QD 1 51 ARG QB . . 5.490 3.008 2.141 4.849 . 0 0 "[ . 1 . 2 . 3 ]" 1
1473 1 49 PHE QD 1 51 ARG QG . . 4.520 3.012 2.288 4.009 . 0 0 "[ . 1 . 2 . 3 ]" 1
1474 1 49 PHE QD 1 62 ARG QB . . 3.920 3.792 2.340 3.990 0.070 3 0 "[ . 1 . 2 . 3 ]" 1
1475 1 49 PHE QD 1 62 ARG QG . . 4.340 3.603 2.129 4.352 0.012 29 0 "[ . 1 . 2 . 3 ]" 1
1476 1 49 PHE QD 1 62 ARG QD . . 6.090 4.843 3.001 6.070 . 0 0 "[ . 1 . 2 . 3 ]" 1
1477 1 49 PHE QE 1 51 ARG QB . . 4.580 2.530 2.129 4.329 . 0 0 "[ . 1 . 2 . 3 ]" 1
1478 1 49 PHE QE 1 51 ARG QG . . 4.240 2.316 2.005 3.199 . 0 0 "[ . 1 . 2 . 3 ]" 1
1479 1 49 PHE QE 1 62 ARG QB . . 3.590 2.677 2.317 3.090 . 0 0 "[ . 1 . 2 . 3 ]" 1
1480 1 49 PHE QE 1 62 ARG QG . . 4.470 2.376 2.077 3.461 . 0 0 "[ . 1 . 2 . 3 ]" 1
1481 1 49 PHE QE 1 62 ARG QD . . 4.750 3.683 2.433 4.404 . 0 0 "[ . 1 . 2 . 3 ]" 1
1482 1 49 PHE HZ 1 51 ARG QB . . 6.370 4.652 4.051 6.097 . 0 0 "[ . 1 . 2 . 3 ]" 1
1483 1 49 PHE HZ 1 51 ARG QG . . 5.020 4.067 3.679 4.338 . 0 0 "[ . 1 . 2 . 3 ]" 1
1484 1 49 PHE HZ 1 62 ARG QB . . 4.560 4.558 4.126 4.637 0.077 11 0 "[ . 1 . 2 . 3 ]" 1
1485 1 49 PHE HZ 1 62 ARG QG . . 6.370 3.658 2.728 5.711 . 0 0 "[ . 1 . 2 . 3 ]" 1
1486 1 49 PHE HZ 1 62 ARG QD . . 6.370 4.350 2.668 6.392 0.022 13 0 "[ . 1 . 2 . 3 ]" 1
1487 1 50 MET H 1 50 MET QB . . 3.180 2.523 2.182 3.087 . 0 0 "[ . 1 . 2 . 3 ]" 1
1488 1 50 MET H 1 50 MET QG . . 3.890 3.337 2.104 3.970 0.080 17 0 "[ . 1 . 2 . 3 ]" 1
1489 1 50 MET HA 1 50 MET QG . . 3.420 2.519 2.080 3.460 0.040 26 0 "[ . 1 . 2 . 3 ]" 1
1490 1 50 MET QB 1 51 ARG H . . 3.790 3.205 2.691 3.763 . 0 0 "[ . 1 . 2 . 3 ]" 1
1491 1 50 MET QG 1 51 ARG H . . 4.010 3.240 2.163 4.015 0.005 11 0 "[ . 1 . 2 . 3 ]" 1
1492 1 51 ARG H 1 51 ARG QB . . 3.550 2.753 2.464 3.317 . 0 0 "[ . 1 . 2 . 3 ]" 1
1493 1 51 ARG H 1 51 ARG QG . . 4.300 3.742 2.391 4.374 0.074 22 0 "[ . 1 . 2 . 3 ]" 1
1494 1 51 ARG H 1 58 VAL QG . . 5.030 3.661 3.004 4.634 . 0 0 "[ . 1 . 2 . 3 ]" 1
1495 1 51 ARG QB 1 52 GLU H . . 3.270 3.051 2.191 3.342 0.072 23 0 "[ . 1 . 2 . 3 ]" 1
1496 1 51 ARG QG 1 52 GLU H . . 4.630 3.402 2.034 4.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
1497 1 51 ARG QD 1 53 VAL QG . . 4.570 3.228 2.028 4.583 0.013 22 0 "[ . 1 . 2 . 3 ]" 1
1498 1 52 GLU H 1 52 GLU QB . . 3.260 2.175 1.974 2.532 . 0 0 "[ . 1 . 2 . 3 ]" 1
1499 1 52 GLU H 1 53 VAL QG . . 4.720 4.276 3.194 4.752 0.032 15 0 "[ . 1 . 2 . 3 ]" 1
1500 1 52 GLU HA 1 52 GLU QG . . 3.430 2.591 1.931 2.834 . 0 0 "[ . 1 . 2 . 3 ]" 1
1501 1 52 GLU HA 1 53 VAL QG . . 4.370 3.766 3.073 4.124 . 0 0 "[ . 1 . 2 . 3 ]" 1
1502 1 52 GLU QB 1 53 VAL H . . 4.050 3.665 2.463 3.838 . 0 0 "[ . 1 . 2 . 3 ]" 1
1503 1 52 GLU QG 1 53 VAL H . . 4.440 2.722 2.362 3.147 . 0 0 "[ . 1 . 2 . 3 ]" 1
1504 1 52 GLU QG 1 55 GLY H . . 3.990 2.677 1.874 4.038 0.048 14 0 "[ . 1 . 2 . 3 ]" 1
1505 1 52 GLU QG 1 55 GLY QA . . 3.950 2.767 2.351 3.990 0.040 14 0 "[ . 1 . 2 . 3 ]" 1
1506 1 53 VAL H 1 53 VAL QG . . 3.460 2.768 2.091 3.067 . 0 0 "[ . 1 . 2 . 3 ]" 1
1507 1 53 VAL H 1 56 LYS QB . . 4.630 3.681 2.827 4.654 0.024 20 0 "[ . 1 . 2 . 3 ]" 1
1508 1 53 VAL HA 1 53 VAL QG . . 3.040 2.212 2.061 2.364 . 0 0 "[ . 1 . 2 . 3 ]" 1
1509 1 53 VAL QG 1 54 GLU H . . 4.200 2.807 2.212 3.540 . 0 0 "[ . 1 . 2 . 3 ]" 1
1510 1 53 VAL QG 1 54 GLU HA . . 5.410 4.148 3.716 4.899 . 0 0 "[ . 1 . 2 . 3 ]" 1
1511 1 53 VAL QG 1 54 GLU QG . . 4.170 2.844 2.048 4.170 . 0 0 "[ . 1 . 2 . 3 ]" 1
1512 1 53 VAL QG 1 56 LYS H . . 4.640 4.177 2.962 4.623 . 0 0 "[ . 1 . 2 . 3 ]" 1
1513 1 54 GLU H 1 54 GLU QB . . 3.490 3.218 2.455 3.493 0.003 10 0 "[ . 1 . 2 . 3 ]" 1
1514 1 54 GLU H 1 54 GLU QG . . 4.230 3.112 2.105 4.137 . 0 0 "[ . 1 . 2 . 3 ]" 1
1515 1 54 GLU HA 1 54 GLU QB . . 2.600 2.375 2.278 2.488 . 0 0 "[ . 1 . 2 . 3 ]" 1
1516 1 54 GLU HA 1 54 GLU QG . . 3.360 2.637 2.278 3.296 . 0 0 "[ . 1 . 2 . 3 ]" 1
1517 1 54 GLU QB 1 55 GLY H . . 4.480 3.724 3.382 3.926 . 0 0 "[ . 1 . 2 . 3 ]" 1
1518 1 54 GLU QB 1 56 LYS H . . 3.570 3.484 2.842 3.711 0.141 11 0 "[ . 1 . 2 . 3 ]" 1
1519 1 55 GLY QA 1 56 LYS QG . . 4.830 3.783 3.320 4.223 . 0 0 "[ . 1 . 2 . 3 ]" 1
1520 1 56 LYS H 1 56 LYS QG . . 3.500 2.946 2.288 3.532 0.032 28 0 "[ . 1 . 2 . 3 ]" 1
1521 1 56 LYS HA 1 56 LYS QB . . 2.500 2.351 2.141 2.478 . 0 0 "[ . 1 . 2 . 3 ]" 1
1522 1 56 LYS HA 1 56 LYS QG . . 3.200 2.641 2.220 3.294 0.094 22 0 "[ . 1 . 2 . 3 ]" 1
1523 1 57 LYS H 1 57 LYS QB . . 2.710 2.540 2.089 2.762 0.052 26 0 "[ . 1 . 2 . 3 ]" 1
1524 1 57 LYS H 1 58 VAL QG . . 5.440 4.539 3.747 5.309 . 0 0 "[ . 1 . 2 . 3 ]" 1
1525 1 57 LYS QB 1 58 VAL H . . 3.560 3.197 2.722 3.593 0.033 10 0 "[ . 1 . 2 . 3 ]" 1
1526 1 57 LYS QG 1 58 VAL H . . 5.070 4.404 3.630 5.014 . 0 0 "[ . 1 . 2 . 3 ]" 1
1527 1 58 VAL H 1 58 VAL QG . . 3.450 2.429 2.057 2.952 . 0 0 "[ . 1 . 2 . 3 ]" 1
1528 1 58 VAL QG 1 59 MET H . . 4.190 2.496 1.717 3.321 . 0 0 "[ . 1 . 2 . 3 ]" 1
1529 1 58 VAL QG 1 60 GLY H . . 5.440 4.697 3.636 5.214 . 0 0 "[ . 1 . 2 . 3 ]" 1
1530 1 59 MET H 1 59 MET QB . . 3.430 2.547 2.338 2.759 . 0 0 "[ . 1 . 2 . 3 ]" 1
1531 1 59 MET HA 1 59 MET QB . . 2.570 2.397 2.347 2.448 . 0 0 "[ . 1 . 2 . 3 ]" 1
1532 1 59 MET QB 1 60 GLY H . . 4.190 2.589 2.195 3.089 . 0 0 "[ . 1 . 2 . 3 ]" 1
1533 1 59 MET QB 1 60 GLY HA2 . . 4.410 4.163 4.001 4.399 . 0 0 "[ . 1 . 2 . 3 ]" 1
1534 1 61 MET H 1 61 MET QB . . 3.610 2.633 2.492 3.295 . 0 0 "[ . 1 . 2 . 3 ]" 1
1535 1 61 MET H 1 61 MET QG . . 4.020 3.938 2.197 4.050 0.030 28 0 "[ . 1 . 2 . 3 ]" 1
1536 1 61 MET HA 1 62 ARG QB . . 5.390 4.039 3.201 4.470 . 0 0 "[ . 1 . 2 . 3 ]" 1
1537 1 61 MET HA 1 62 ARG QG . . 4.630 3.983 3.311 4.608 . 0 0 "[ . 1 . 2 . 3 ]" 1
1538 1 61 MET QB 1 61 MET ME . . 3.860 2.053 1.981 2.595 . 0 0 "[ . 1 . 2 . 3 ]" 1
1539 1 61 MET QB 1 62 ARG H . . 3.620 3.574 2.835 3.658 0.038 17 0 "[ . 1 . 2 . 3 ]" 1
1540 1 61 MET QB 1 83 HIS HE1 . . 3.880 3.322 2.204 3.652 . 0 0 "[ . 1 . 2 . 3 ]" 1
1541 1 61 MET QG 1 62 ARG H . . 5.270 2.617 2.326 4.413 . 0 0 "[ . 1 . 2 . 3 ]" 1
1542 1 61 MET QG 1 83 HIS HE1 . . 4.310 2.158 1.938 3.746 . 0 0 "[ . 1 . 2 . 3 ]" 1
1543 1 62 ARG H 1 62 ARG QB . . 3.580 2.772 2.341 3.362 . 0 0 "[ . 1 . 2 . 3 ]" 1
1544 1 64 VAL HA 1 65 PRO QD . . 2.950 2.170 2.134 2.235 . 0 0 "[ . 1 . 2 . 3 ]" 1
1545 1 64 VAL HB 1 65 PRO QD . . 3.300 2.090 1.992 2.332 . 0 0 "[ . 1 . 2 . 3 ]" 1
1546 1 64 VAL MG1 1 65 PRO QD . . 4.050 2.965 2.020 3.213 . 0 0 "[ . 1 . 2 . 3 ]" 1
1547 1 64 VAL MG2 1 65 PRO QD . . 4.700 3.466 3.321 3.745 . 0 0 "[ . 1 . 2 . 3 ]" 1
1548 1 65 PRO QB 1 66 PHE H . . 3.870 3.464 3.367 3.529 . 0 0 "[ . 1 . 2 . 3 ]" 1
1549 1 65 PRO QB 1 66 PHE QD . . 3.070 2.329 2.250 2.414 . 0 0 "[ . 1 . 2 . 3 ]" 1
1550 1 65 PRO QB 1 66 PHE QE . . 3.660 3.466 3.289 3.619 . 0 0 "[ . 1 . 2 . 3 ]" 1
1551 1 65 PRO QG 1 66 PHE H . . 3.720 2.492 2.314 2.604 . 0 0 "[ . 1 . 2 . 3 ]" 1
1552 1 65 PRO QG 1 66 PHE QD . . 4.050 2.731 2.523 2.996 . 0 0 "[ . 1 . 2 . 3 ]" 1
1553 1 65 PRO QG 1 66 PHE QE . . 4.690 2.980 2.741 3.235 . 0 0 "[ . 1 . 2 . 3 ]" 1
1554 1 65 PRO QD 1 66 PHE QD . . 4.910 4.437 4.299 4.612 . 0 0 "[ . 1 . 2 . 3 ]" 1
1555 1 65 PRO QD 1 66 PHE QE . . 6.370 4.811 4.549 5.053 . 0 0 "[ . 1 . 2 . 3 ]" 1
1556 1 66 PHE H 1 66 PHE QB . . 3.670 3.391 3.354 3.427 . 0 0 "[ . 1 . 2 . 3 ]" 1
1557 1 66 PHE QB 1 67 LEU H . . 3.220 2.297 2.205 2.335 . 0 0 "[ . 1 . 2 . 3 ]" 1
1558 1 66 PHE QB 1 67 LEU HA . . 4.590 4.284 4.198 4.347 . 0 0 "[ . 1 . 2 . 3 ]" 1
1559 1 66 PHE QD 1 67 LEU QB . . 5.270 4.379 4.330 4.431 . 0 0 "[ . 1 . 2 . 3 ]" 1
1560 1 66 PHE QD 1 68 GLU QB . . 3.660 3.248 2.809 3.509 . 0 0 "[ . 1 . 2 . 3 ]" 1
1561 1 66 PHE QD 1 68 GLU QG . . 5.340 5.226 4.862 5.369 0.029 12 0 "[ . 1 . 2 . 3 ]" 1
1562 1 66 PHE QE 1 68 GLU QB . . 3.530 2.658 2.375 3.100 . 0 0 "[ . 1 . 2 . 3 ]" 1
1563 1 67 LEU H 1 67 LEU QB . . 3.300 2.654 2.556 2.749 . 0 0 "[ . 1 . 2 . 3 ]" 1
1564 1 67 LEU HA 1 68 GLU QB . . 4.300 3.987 3.882 4.123 . 0 0 "[ . 1 . 2 . 3 ]" 1
1565 1 67 LEU QB 1 77 LEU MD1 . . 4.230 4.007 3.696 4.254 0.024 21 0 "[ . 1 . 2 . 3 ]" 1
1566 1 67 LEU MD1 1 82 TYR QB . . 4.360 2.577 2.137 3.369 . 0 0 "[ . 1 . 2 . 3 ]" 1
1567 1 68 GLU H 1 68 GLU QB . . 2.700 2.504 2.404 2.727 0.027 23 0 "[ . 1 . 2 . 3 ]" 1
1568 1 68 GLU H 1 68 GLU QG . . 4.350 4.088 4.000 4.158 . 0 0 "[ . 1 . 2 . 3 ]" 1
1569 1 68 GLU QG 1 69 VAL H . . 3.830 2.412 2.011 2.711 . 0 0 "[ . 1 . 2 . 3 ]" 1
1570 1 68 GLU QG 1 69 VAL HA . . 3.300 3.390 3.340 3.505 0.205 17 0 "[ . 1 . 2 . 3 ]" 1
1571 1 69 VAL H 1 70 PRO QD . . 5.070 4.210 4.133 4.268 . 0 0 "[ . 1 . 2 . 3 ]" 1
1572 1 69 VAL HA 1 70 PRO QD . . 2.340 2.047 2.015 2.078 . 0 0 "[ . 1 . 2 . 3 ]" 1
1573 1 69 VAL MG1 1 70 PRO QD . . 3.940 2.150 2.020 2.344 . 0 0 "[ . 1 . 2 . 3 ]" 1
1574 1 69 VAL MG2 1 70 PRO QD . . 4.690 3.511 2.952 3.765 . 0 0 "[ . 1 . 2 . 3 ]" 1
1575 1 70 PRO QB 1 71 PRO HD2 . . 3.100 2.209 2.115 2.315 . 0 0 "[ . 1 . 2 . 3 ]" 1
1576 1 70 PRO QB 1 71 PRO HD3 . . 3.790 3.508 3.392 3.561 . 0 0 "[ . 1 . 2 . 3 ]" 1
1577 1 72 LYS H 1 72 LYS QB . . 3.470 3.400 3.210 3.486 0.016 29 0 "[ . 1 . 2 . 3 ]" 1
1578 1 72 LYS H 1 72 LYS QG . . 4.030 3.023 2.213 3.876 . 0 0 "[ . 1 . 2 . 3 ]" 1
1579 1 72 LYS HA 1 72 LYS QG . . 3.670 2.942 2.091 3.289 . 0 0 "[ . 1 . 2 . 3 ]" 1
1580 1 73 GLY QA 1 74 ARG HA . . 4.310 3.989 3.821 4.069 . 0 0 "[ . 1 . 2 . 3 ]" 1
1581 1 74 ARG QB 1 74 ARG QG . . 2.310 2.066 1.983 2.112 . 0 0 "[ . 1 . 2 . 3 ]" 1
1582 1 74 ARG QB 1 74 ARG QD . . 3.150 2.197 1.987 2.676 . 0 0 "[ . 1 . 2 . 3 ]" 1
1583 1 74 ARG QB 1 75 VAL H . . 3.620 2.878 2.378 3.663 0.043 14 0 "[ . 1 . 2 . 3 ]" 1
1584 1 74 ARG QD 1 74 ARG QG . . 2.180 2.056 1.980 2.081 . 0 0 "[ . 1 . 2 . 3 ]" 1
1585 1 74 ARG QG 1 75 VAL H . . 4.710 3.923 2.540 4.533 . 0 0 "[ . 1 . 2 . 3 ]" 1
1586 1 74 ARG QD 1 76 GLU QG . . 4.210 3.700 2.293 4.277 0.067 3 0 "[ . 1 . 2 . 3 ]" 1
1587 1 76 GLU H 1 76 GLU QG . . 3.870 2.572 1.758 3.995 0.125 20 0 "[ . 1 . 2 . 3 ]" 1
1588 1 76 GLU HA 1 76 GLU QG . . 3.410 2.951 2.385 3.366 . 0 0 "[ . 1 . 2 . 3 ]" 1
1589 1 76 GLU QB 1 77 LEU H . . 4.240 2.964 2.401 3.794 . 0 0 "[ . 1 . 2 . 3 ]" 1
1590 1 77 LEU HG 1 82 TYR QB . . 3.510 2.731 2.386 3.264 . 0 0 "[ . 1 . 2 . 3 ]" 1
1591 1 77 LEU MD2 1 82 TYR QB . . 4.600 3.097 2.402 3.996 . 0 0 "[ . 1 . 2 . 3 ]" 1
1592 1 78 LYS H 1 82 TYR QB . . 5.340 3.748 1.980 5.150 . 0 0 "[ . 1 . 2 . 3 ]" 1
1593 1 78 LYS QG 1 81 GLY H . . 3.900 3.302 2.481 3.972 0.072 19 0 "[ . 1 . 2 . 3 ]" 1
1594 1 78 LYS QG 1 81 GLY HA3 . . 3.280 3.151 2.202 3.393 0.113 21 0 "[ . 1 . 2 . 3 ]" 1
1595 1 82 TYR QB 1 83 HIS H . . 3.470 2.758 2.520 2.895 . 0 0 "[ . 1 . 2 . 3 ]" 1
1596 1 84 PHE H 1 84 PHE QB . . 3.510 2.366 2.278 2.468 . 0 0 "[ . 1 . 2 . 3 ]" 1
1597 1 84 PHE QB 1 85 MET H . . 3.660 2.914 2.683 3.186 . 0 0 "[ . 1 . 2 . 3 ]" 1
1598 1 84 PHE QB 1 101 LEU QD . . 4.760 3.222 2.612 4.132 . 0 0 "[ . 1 . 2 . 3 ]" 1
1599 1 84 PHE QD 1 101 LEU QD . . 4.610 3.194 2.331 4.041 . 0 0 "[ . 1 . 2 . 3 ]" 1
1600 1 84 PHE QE 1 101 LEU QD . . 5.440 3.707 2.814 4.539 . 0 0 "[ . 1 . 2 . 3 ]" 1
1601 1 84 PHE QE 1 103 LEU QD . . 5.080 3.810 2.245 4.489 . 0 0 "[ . 1 . 2 . 3 ]" 1
1602 1 84 PHE HZ 1 101 LEU QD . . 6.420 4.798 3.619 5.704 . 0 0 "[ . 1 . 2 . 3 ]" 1
1603 1 84 PHE HZ 1 103 LEU QD . . 5.390 4.270 3.072 5.018 . 0 0 "[ . 1 . 2 . 3 ]" 1
1604 1 85 MET H 1 85 MET QG . . 4.650 4.131 3.026 4.289 . 0 0 "[ . 1 . 2 . 3 ]" 1
1605 1 85 MET HA 1 85 MET QG . . 3.730 2.384 1.990 2.458 . 0 0 "[ . 1 . 2 . 3 ]" 1
1606 1 85 MET QB 1 87 LEU QD . . 5.340 2.878 2.188 4.114 . 0 0 "[ . 1 . 2 . 3 ]" 1
1607 1 85 MET QG 1 86 LEU H . . 4.290 2.756 2.516 3.561 . 0 0 "[ . 1 . 2 . 3 ]" 1
1608 1 86 LEU H 1 86 LEU QB . . 3.410 2.360 2.144 2.419 . 0 0 "[ . 1 . 2 . 3 ]" 1
1609 1 87 LEU H 1 87 LEU QB . . 3.400 2.560 2.267 2.861 . 0 0 "[ . 1 . 2 . 3 ]" 1
1610 1 87 LEU HA 1 88 GLY QA . . 4.080 3.969 3.879 4.022 . 0 0 "[ . 1 . 2 . 3 ]" 1
1611 1 87 LEU QB 1 88 GLY H . . 3.900 3.033 2.561 3.746 . 0 0 "[ . 1 . 2 . 3 ]" 1
1612 1 88 GLY QA 1 89 LEU QB . . 5.160 4.698 3.684 4.826 . 0 0 "[ . 1 . 2 . 3 ]" 1
1613 1 90 LYS H 1 90 LYS QB . . 3.230 2.585 2.348 3.442 0.212 30 0 "[ . 1 . 2 . 3 ]" 1
1614 1 90 LYS H 1 90 LYS QG . . 3.240 2.658 2.261 3.352 0.112 13 0 "[ . 1 . 2 . 3 ]" 1
1615 1 90 LYS HA 1 90 LYS QB . . 2.470 2.316 2.274 2.361 . 0 0 "[ . 1 . 2 . 3 ]" 1
1616 1 90 LYS HA 1 90 LYS QG . . 3.180 2.908 2.234 3.183 0.003 22 0 "[ . 1 . 2 . 3 ]" 1
1617 1 90 LYS QB 1 91 ARG H . . 3.330 3.286 2.826 3.589 0.259 6 0 "[ . 1 . 2 . 3 ]" 1
1618 1 90 LYS QE 1 90 LYS QG . . 3.080 2.225 2.057 2.488 . 0 0 "[ . 1 . 2 . 3 ]" 1
1619 1 91 ARG H 1 91 ARG QB . . 2.980 2.771 2.421 3.150 0.170 22 0 "[ . 1 . 2 . 3 ]" 1
1620 1 91 ARG HA 1 91 ARG QB . . 2.490 2.355 2.148 2.468 . 0 0 "[ . 1 . 2 . 3 ]" 1
1621 1 91 ARG HA 1 92 PRO QD . . 2.840 2.143 2.022 2.334 . 0 0 "[ . 1 . 2 . 3 ]" 1
1622 1 91 ARG QB 1 91 ARG QD . . 2.920 2.300 2.019 2.903 . 0 0 "[ . 1 . 2 . 3 ]" 1
1623 1 92 PRO QB 1 93 LEU H . . 3.960 3.093 2.056 4.051 0.091 2 0 "[ . 1 . 2 . 3 ]" 1
1624 1 94 LYS H 1 97 GLU QB . . 4.400 3.562 2.794 4.464 0.064 12 0 "[ . 1 . 2 . 3 ]" 1
1625 1 94 LYS H 1 97 GLU QG . . 4.880 3.011 1.952 3.737 . 0 0 "[ . 1 . 2 . 3 ]" 1
1626 1 94 LYS QB 1 97 GLU QG . . 4.510 3.009 2.086 4.578 0.068 11 0 "[ . 1 . 2 . 3 ]" 1
1627 1 96 GLY QA 1 117 VAL H . . 4.670 4.359 3.654 4.727 0.057 16 0 "[ . 1 . 2 . 3 ]" 1
1628 1 97 GLU H 1 97 GLU QB . . 3.080 2.528 2.303 2.990 . 0 0 "[ . 1 . 2 . 3 ]" 1
1629 1 97 GLU HA 1 97 GLU QG . . 3.690 2.514 2.141 3.327 . 0 0 "[ . 1 . 2 . 3 ]" 1
1630 1 97 GLU QB 1 98 GLU H . . 2.620 1.943 1.753 2.267 . 0 0 "[ . 1 . 2 . 3 ]" 1
1631 1 97 GLU QB 1 117 VAL H . . 3.680 3.699 3.427 3.795 0.115 19 0 "[ . 1 . 2 . 3 ]" 1
1632 1 97 GLU QG 1 98 GLU H . . 4.270 3.813 3.469 4.248 . 0 0 "[ . 1 . 2 . 3 ]" 1
1633 1 97 GLU QG 1 99 VAL MG2 . . 5.340 4.699 3.477 5.160 . 0 0 "[ . 1 . 2 . 3 ]" 1
1634 1 97 GLU QG 1 117 VAL MG2 . . 5.340 3.810 2.928 4.283 . 0 0 "[ . 1 . 2 . 3 ]" 1
1635 1 98 GLU H 1 98 GLU QG . . 3.800 2.849 2.024 3.862 0.062 4 0 "[ . 1 . 2 . 3 ]" 1
1636 1 101 LEU H 1 101 LEU QD . . 4.530 3.397 2.215 3.980 . 0 0 "[ . 1 . 2 . 3 ]" 1
1637 1 101 LEU HA 1 101 LEU QD . . 3.860 2.698 2.124 3.386 . 0 0 "[ . 1 . 2 . 3 ]" 1
1638 1 101 LEU QB 1 102 ASP H . . 3.840 3.055 2.452 3.687 . 0 0 "[ . 1 . 2 . 3 ]" 1
1639 1 101 LEU QB 1 103 LEU QD . . 4.270 2.851 2.201 4.281 0.011 27 0 "[ . 1 . 2 . 3 ]" 1
1640 1 101 LEU QB 1 113 VAL HB . . 4.500 4.415 3.718 4.609 0.109 10 0 "[ . 1 . 2 . 3 ]" 1
1641 1 101 LEU HG 1 103 LEU QD . . 5.030 4.646 3.858 5.041 0.011 7 0 "[ . 1 . 2 . 3 ]" 1
1642 1 101 LEU QD 1 102 ASP H . . 4.260 3.505 2.706 3.971 . 0 0 "[ . 1 . 2 . 3 ]" 1
1643 1 101 LEU QD 1 103 LEU HG . . 5.440 3.928 2.216 5.100 . 0 0 "[ . 1 . 2 . 3 ]" 1
1644 1 101 LEU QD 1 113 VAL H . . 6.360 4.826 2.791 5.385 . 0 0 "[ . 1 . 2 . 3 ]" 1
1645 1 101 LEU QD 1 115 LEU MD1 . . 5.420 2.552 1.918 4.491 . 0 0 "[ . 1 . 2 . 3 ]" 1
1646 1 102 ASP HA 1 103 LEU QB . . 4.560 4.305 4.119 4.453 . 0 0 "[ . 1 . 2 . 3 ]" 1
1647 1 102 ASP HA 1 110 VAL QG . . 4.310 3.715 3.193 4.314 0.004 7 0 "[ . 1 . 2 . 3 ]" 1
1648 1 102 ASP HB2 1 110 VAL QG . . 4.190 3.973 3.205 4.266 0.076 16 0 "[ . 1 . 2 . 3 ]" 1
1649 1 102 ASP HB3 1 110 VAL QG . . 3.840 2.741 2.152 3.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
1650 1 103 LEU H 1 103 LEU QB . . 3.610 2.341 2.081 2.566 . 0 0 "[ . 1 . 2 . 3 ]" 1
1651 1 103 LEU H 1 110 VAL QG . . 4.620 3.351 2.532 3.789 . 0 0 "[ . 1 . 2 . 3 ]" 1
1652 1 103 LEU H 1 111 LEU QB . . 4.080 3.702 3.259 4.106 0.026 13 0 "[ . 1 . 2 . 3 ]" 1
1653 1 103 LEU HA 1 103 LEU QD . . 3.870 2.935 2.506 3.120 . 0 0 "[ . 1 . 2 . 3 ]" 1
1654 1 103 LEU QB 1 104 LEU H . . 3.940 3.216 2.913 3.441 . 0 0 "[ . 1 . 2 . 3 ]" 1
1655 1 103 LEU QB 1 105 PHE QD . . 4.780 3.470 2.955 3.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
1656 1 103 LEU QB 1 105 PHE QE . . 3.860 2.326 2.139 2.714 . 0 0 "[ . 1 . 2 . 3 ]" 1
1657 1 103 LEU QB 1 111 LEU H . . 4.230 3.186 2.784 3.630 . 0 0 "[ . 1 . 2 . 3 ]" 1
1658 1 103 LEU QB 1 111 LEU QB . . 4.490 2.645 2.208 3.367 . 0 0 "[ . 1 . 2 . 3 ]" 1
1659 1 103 LEU QD 1 104 LEU H . . 4.400 4.297 4.153 4.419 0.019 5 0 "[ . 1 . 2 . 3 ]" 1
1660 1 103 LEU QD 1 105 PHE QD . . 5.300 4.324 3.703 4.691 . 0 0 "[ . 1 . 2 . 3 ]" 1
1661 1 103 LEU QD 1 105 PHE QE . . 4.260 2.836 2.334 3.230 . 0 0 "[ . 1 . 2 . 3 ]" 1
1662 1 104 LEU H 1 104 LEU QD . . 3.670 3.298 3.207 3.401 . 0 0 "[ . 1 . 2 . 3 ]" 1
1663 1 104 LEU HA 1 104 LEU QD . . 3.440 2.156 2.106 2.209 . 0 0 "[ . 1 . 2 . 3 ]" 1
1664 1 104 LEU HA 1 110 VAL QG . . 5.040 3.085 2.212 3.945 . 0 0 "[ . 1 . 2 . 3 ]" 1
1665 1 104 LEU QD 1 110 VAL HA . . 4.410 3.289 2.648 3.838 . 0 0 "[ . 1 . 2 . 3 ]" 1
1666 1 105 PHE HB2 1 109 LYS QB . . 2.720 2.153 1.991 2.398 . 0 0 "[ . 1 . 2 . 3 ]" 1
1667 1 105 PHE HB2 1 109 LYS QD . . 4.660 3.755 2.913 4.310 . 0 0 "[ . 1 . 2 . 3 ]" 1
1668 1 105 PHE HB3 1 109 LYS QB . . 4.180 3.076 2.492 3.659 . 0 0 "[ . 1 . 2 . 3 ]" 1
1669 1 105 PHE HB3 1 109 LYS QD . . 4.400 3.861 2.973 4.411 0.011 12 0 "[ . 1 . 2 . 3 ]" 1
1670 1 105 PHE QD 1 109 LYS QB . . 3.930 3.240 2.665 3.685 . 0 0 "[ . 1 . 2 . 3 ]" 1
1671 1 105 PHE QD 1 109 LYS QG . . 5.400 4.986 2.754 5.421 0.021 13 0 "[ . 1 . 2 . 3 ]" 1
1672 1 105 PHE QD 1 110 VAL QG . . 6.020 4.412 3.660 4.892 . 0 0 "[ . 1 . 2 . 3 ]" 1
1673 1 105 PHE QD 1 111 LEU QB . . 4.610 3.327 2.889 4.038 . 0 0 "[ . 1 . 2 . 3 ]" 1
1674 1 105 PHE QD 1 111 LEU QD . . 4.280 4.084 2.322 4.311 0.031 6 0 "[ . 1 . 2 . 3 ]" 1
1675 1 105 PHE QE 1 111 LEU QB . . 3.360 2.225 1.970 2.664 . 0 0 "[ . 1 . 2 . 3 ]" 1
1676 1 105 PHE QE 1 111 LEU QD . . 4.330 2.809 2.345 3.703 . 0 0 "[ . 1 . 2 . 3 ]" 1
1677 1 109 LYS H 1 109 LYS QB . . 3.030 2.444 2.122 2.799 . 0 0 "[ . 1 . 2 . 3 ]" 1
1678 1 109 LYS H 1 109 LYS QG . . 3.800 3.351 2.773 3.893 0.093 22 0 "[ . 1 . 2 . 3 ]" 1
1679 1 109 LYS H 1 110 VAL QG . . 5.440 4.565 3.539 5.452 0.012 11 0 "[ . 1 . 2 . 3 ]" 1
1680 1 109 LYS HA 1 109 LYS QE . . 4.720 4.455 3.658 4.741 0.021 26 0 "[ . 1 . 2 . 3 ]" 1
1681 1 109 LYS HA 1 110 VAL QG . . 5.290 3.657 3.401 3.962 . 0 0 "[ . 1 . 2 . 3 ]" 1
1682 1 109 LYS QB 1 110 VAL H . . 3.580 3.157 2.656 3.657 0.077 17 0 "[ . 1 . 2 . 3 ]" 1
1683 1 109 LYS QE 1 109 LYS QG . . 3.180 2.261 2.001 2.870 . 0 0 "[ . 1 . 2 . 3 ]" 1
1684 1 109 LYS QG 1 110 VAL H . . 3.880 3.692 2.681 3.977 0.097 15 0 "[ . 1 . 2 . 3 ]" 1
1685 1 109 LYS QG 1 110 VAL HA . . 5.710 5.516 3.698 5.776 0.066 15 0 "[ . 1 . 2 . 3 ]" 1
1686 1 110 VAL H 1 110 VAL QG . . 3.670 2.561 2.095 3.122 . 0 0 "[ . 1 . 2 . 3 ]" 1
1687 1 110 VAL HA 1 111 LEU QB . . 4.500 3.934 3.639 4.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
1688 1 110 VAL QG 1 111 LEU H . . 3.880 2.366 2.189 2.659 . 0 0 "[ . 1 . 2 . 3 ]" 1
1689 1 110 VAL QG 1 111 LEU HA . . 4.480 3.439 3.187 3.767 . 0 0 "[ . 1 . 2 . 3 ]" 1
1690 1 111 LEU QB 1 112 LYS H . . 4.090 3.588 2.277 3.976 . 0 0 "[ . 1 . 2 . 3 ]" 1
1691 1 111 LEU QD 1 112 LYS H . . 4.200 2.624 1.851 4.205 0.005 27 0 "[ . 1 . 2 . 3 ]" 1
1692 1 112 LYS H 1 112 LYS QB . . 3.450 2.621 2.208 3.313 . 0 0 "[ . 1 . 2 . 3 ]" 1
1693 1 112 LYS HA 1 112 LYS QG . . 3.730 2.782 2.114 3.450 . 0 0 "[ . 1 . 2 . 3 ]" 1
1694 1 112 LYS QB 1 113 VAL H . . 4.010 3.173 2.329 3.904 . 0 0 "[ . 1 . 2 . 3 ]" 1
1695 1 112 LYS QG 1 113 VAL H . . 4.270 3.190 2.291 4.056 . 0 0 "[ . 1 . 2 . 3 ]" 1
1696 1 114 VAL H 1 114 VAL QG . . 3.750 2.664 2.064 3.007 . 0 0 "[ . 1 . 2 . 3 ]" 1
1697 1 114 VAL QG 1 115 LEU H . . 4.640 2.447 2.051 3.253 . 0 0 "[ . 1 . 2 . 3 ]" 1
1698 1 114 VAL QG 1 116 PRO QD . . 5.280 4.078 3.124 4.599 . 0 0 "[ . 1 . 2 . 3 ]" 1
1699 1 115 LEU HA 1 116 PRO QG . . 4.040 4.015 3.936 4.074 0.034 10 0 "[ . 1 . 2 . 3 ]" 1
1700 1 120 ARG H 1 120 ARG QB . . 3.590 2.954 2.059 3.541 . 0 0 "[ . 1 . 2 . 3 ]" 1
1701 1 120 ARG HA 1 120 ARG QB . . 2.380 2.281 2.109 2.458 0.078 28 0 "[ . 1 . 2 . 3 ]" 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 8
_Distance_constraint_stats_list.Viol_count 45
_Distance_constraint_stats_list.Viol_total 55.943
_Distance_constraint_stats_list.Viol_max 0.123
_Distance_constraint_stats_list.Viol_rms 0.0187
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0401
_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 6 GLY 0.794 0.090 22 0 "[ . 1 . 2 . 3 ]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 87 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 97 GLU 1.010 0.123 4 0 "[ . 1 . 2 . 3 ]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 99 VAL 1.010 0.123 4 0 "[ . 1 . 2 . 3 ]"
1 115 LEU 0.794 0.090 22 0 "[ . 1 . 2 . 3 ]"
1 117 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
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 98 GLU H 1 117 VAL MG2 . . 5.500 3.331 2.723 3.958 . 0 0 "[ . 1 . 2 . 3 ]" 2
2 1 97 GLU HG2 1 117 VAL MG2 . . 5.500 4.583 3.619 5.187 . 0 0 "[ . 1 . 2 . 3 ]" 2
3 1 97 GLU HG2 1 99 VAL MG2 . . 5.500 5.413 4.457 5.623 0.123 4 0 "[ . 1 . 2 . 3 ]" 2
4 1 6 GLY H 1 115 LEU HA . . 4.500 4.442 3.866 4.590 0.090 22 0 "[ . 1 . 2 . 3 ]" 2
5 1 86 LEU H 1 87 LEU QD . . 5.500 3.774 3.177 5.062 . 0 0 "[ . 1 . 2 . 3 ]" 2
6 1 86 LEU HB2 1 87 LEU H . . 4.620 4.337 4.190 4.544 . 0 0 "[ . 1 . 2 . 3 ]" 2
7 1 86 LEU HB2 1 89 LEU QD . . 5.500 4.637 2.723 5.423 . 0 0 "[ . 1 . 2 . 3 ]" 2
8 1 86 LEU HB3 1 89 LEU QD . . 5.500 4.364 2.308 5.244 . 0 0 "[ . 1 . 2 . 3 ]" 2
stop_
save_
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