NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451407 |
2roc   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2roc
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 1748
_Distance_constraint_stats_list.Viol_count 4564
_Distance_constraint_stats_list.Viol_total 24901.316
_Distance_constraint_stats_list.Viol_max 1.219
_Distance_constraint_stats_list.Viol_rms 0.1209
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0356
_Distance_constraint_stats_list.Viol_average_violations_only 0.2728
_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 3 LEU 3.857 0.827 18 3 "[ . 1 -. *+ 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 1.722 0.183 19 0 "[ . 1 . 2]"
1 6 GLU 2.649 0.253 9 0 "[ . 1 . 2]"
1 7 ASP 1.910 0.312 12 0 "[ . 1 . 2]"
1 8 ASP 1.910 0.312 12 0 "[ . 1 . 2]"
1 9 LEU 29.856 0.544 19 2 "[ . -1 . +2]"
1 10 TYR 21.352 0.982 7 14 "[* * .*+-******. ***2]"
1 11 ARG 19.884 0.982 7 13 "[* * .*+ *-****. ***2]"
1 12 GLN 37.712 1.017 10 17 "[***-* ***+****.****2]"
1 13 SER 33.152 1.017 10 19 [*********+****.**-**]
1 14 LEU 11.945 0.776 14 10 "[* * .* * 1 *+. *-**]"
1 15 GLU 10.706 1.219 15 7 "[ *. *-1** +* 2]"
1 16 ILE 84.869 1.219 15 20 [***-**********+*****]
1 17 ILE 51.327 0.834 17 20 [*************-**+***]
1 18 SER 8.969 0.629 2 4 "[ + . -1 .* *]"
1 19 ARG 14.614 0.877 14 8 "[ ** 1* *+- * *2]"
1 20 TYR 22.541 0.559 13 11 "[ *****1 *+-* * *2]"
1 21 LEU 21.667 0.489 14 0 "[ . 1 . 2]"
1 22 ARG 0.690 0.271 7 0 "[ . 1 . 2]"
1 23 GLU 9.394 0.586 1 6 "[+ . 1 ** * *-2]"
1 24 GLN 4.566 0.704 18 3 "[ . 1 - * + 2]"
1 25 ALA 7.100 0.531 20 6 "[ -* * 1 *. * +]"
1 26 THR 7.095 0.997 5 6 "[ + * *1 -** 2]"
1 27 GLY 0.018 0.018 7 0 "[ . 1 . 2]"
1 28 SER 8.042 0.997 5 6 "[ + * *1 -** 2]"
1 29 LYS 14.228 0.782 15 15 "[** *.*-* * ***+ ****]"
1 30 ASP 18.533 1.017 1 11 "[+* . * * ***** *-2]"
1 31 SER 0.544 0.230 1 0 "[ . 1 . 2]"
1 32 LYS 11.524 1.017 1 10 "[+* . **- ***.* *2]"
1 33 PRO 0.797 0.207 17 0 "[ . 1 . 2]"
1 34 LEU 49.158 0.599 20 5 "[** . -1 . * +]"
1 35 GLY 1.069 0.544 1 2 "[+ . 1 . -]"
1 36 GLU 0.067 0.028 3 0 "[ . 1 . 2]"
1 37 ALA 26.998 0.614 1 11 "[+**-. ** 1*** . ** 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 10.409 0.545 17 3 "[ *. 1 - . + 2]"
1 41 GLY 24.204 0.575 20 5 "[** . -1 . * +]"
1 42 ARG 12.354 0.599 20 3 "[* . 1 . - +]"
1 43 ARG 9.418 0.529 17 2 "[ - . 1 . + 2]"
1 44 ALA 24.966 0.600 16 12 "[** .**-**** .+ **2]"
1 45 LEU 8.475 0.563 1 2 "[+ . 1 . -]"
1 46 GLU 1.912 0.435 18 0 "[ . 1 . 2]"
1 47 THR 9.949 0.569 12 3 "[ - . 1 +* . 2]"
1 48 LEU 26.510 0.597 4 14 "[***+* * ******-*]"
1 49 ARG 7.587 0.899 14 5 "[* - 1 * +. *]"
1 50 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 19.024 0.616 14 10 "[ ***. * *+.**- *]"
1 52 GLY 14.365 0.634 17 10 "[* *.* ** -**+ *]"
1 53 ASP 6.667 0.540 15 2 "[ . - 1 + 2]"
1 54 GLY 0.526 0.222 5 0 "[ . 1 . 2]"
1 55 VAL 28.359 0.592 13 15 "[ ****** ** + *****-]"
1 56 GLN 19.135 0.785 9 15 "[ ***.***+*-***.* * *]"
1 57 ARG 8.276 0.653 4 8 "[ +.** *- * .* * 2]"
1 58 ASN 0.649 0.210 20 0 "[ . 1 . 2]"
1 59 HIS 9.649 0.629 20 4 "[* . * 1 - . +]"
1 60 GLU 7.308 0.805 3 11 "[ *+ .* ***** -.* * 2]"
1 61 THR 28.851 1.041 4 19 [***+.************-**]
1 62 ALA 16.838 0.915 13 12 "[* *.** -1 *+*.* ***]"
1 63 PHE 43.819 1.041 4 20 [***+************-***]
1 64 GLN 1.086 0.468 3 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 MET 33.028 0.700 18 8 "[* . - 1 * ** *+ *]"
1 67 LEU 20.679 0.700 18 9 "[** . 1** *.* +-*]"
1 68 ARG 1.464 0.303 6 0 "[ . 1 . 2]"
1 69 LYS 11.172 1.126 9 6 "[* *. +- .** 2]"
1 70 LEU 9.873 1.126 9 5 "[* *. +- .* 2]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ILE 30.254 0.570 20 15 "[ ***. * **********+]"
1 73 LYS 31.075 1.062 14 17 "[* -**********+* ** *]"
1 74 ASN 39.332 1.062 14 17 "[* ***********+* ** -]"
1 75 GLU 19.072 0.877 4 15 "[***+** ***** * - **]"
1 76 GLY 6.760 1.054 17 2 "[ - . 1 . + 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 18.015 1.054 17 6 "[ * * ** - + 2]"
1 79 LYS 0.054 0.054 7 0 "[ . 1 . 2]"
1 80 SER 0.001 0.001 2 0 "[ . 1 . 2]"
1 81 PHE 35.857 0.570 20 15 "[ ***. * **********+]"
1 82 SER 1.726 0.301 5 0 "[ . 1 . 2]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 VAL 23.541 0.511 4 1 "[ +. 1 . 2]"
1 85 MET 26.199 0.611 5 11 "[****+* ** *-* 2]"
1 86 VAL 0.195 0.039 18 0 "[ . 1 . 2]"
1 87 HIS 12.908 0.739 14 6 "[ *. 1* +.* *-]"
1 88 VAL 18.257 0.722 11 9 "[* -*. * *1+ * .* *]"
1 89 PHE 21.082 0.576 19 6 "[* .- ** *. +2]"
1 90 LYS 1.210 0.148 13 0 "[ . 1 . 2]"
1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLY 0.234 0.103 17 0 "[ . 1 . 2]"
1 93 VAL 2.776 0.224 6 0 "[ . 1 . 2]"
1 94 THR 10.312 1.069 13 1 "[ . 1 + . 2]"
1 95 ASN 7.398 0.613 13 4 "[ - . * 1 + . * 2]"
1 96 TRP 31.836 1.069 13 14 "[ * *.**- ***+ *** **]"
1 97 GLY 14.260 0.621 5 6 "[ * + 1 -** *2]"
1 98 ARG 36.622 0.646 9 16 "[* ***-**+* **.*****]"
1 99 ILE 17.633 0.571 13 13 "[* *** ****- +** *]"
1 100 VAL 28.043 0.634 17 13 "[* -*.* ** ****+* *]"
1 101 THR 20.879 0.521 14 1 "[ . 1 +. 2]"
1 102 LEU 16.245 0.553 5 1 "[ + 1 . 2]"
1 103 ILE 22.902 0.493 5 0 "[ . 1 . 2]"
1 104 SER 14.696 0.559 13 8 "[ .****1 +-. * *2]"
1 105 PHE 37.160 0.596 2 13 "[ +* .*** 1****** -*]"
1 106 GLY 0.011 0.011 2 0 "[ . 1 . 2]"
1 107 ALA 17.918 0.467 15 0 "[ . 1 . 2]"
1 108 PHE 2.788 0.468 3 0 "[ . 1 . 2]"
1 109 VAL 10.307 0.661 8 10 "[ **-.* + 1 **.* * *]"
1 110 ALA 10.279 0.517 17 2 "[ . 1 -. + 2]"
1 111 LYS 6.126 0.531 20 6 "[ -* * 1 *. * +]"
1 112 HIS 11.604 0.811 18 1 "[ . 1 . + 2]"
1 113 LEU 24.732 0.811 18 2 "[ . 1 . + -]"
1 114 LYS 20.053 0.979 8 10 "[* * .**+ 1 * *-* *2]"
1 115 SER 10.568 0.979 8 10 "[* * .**+ 1 * *-* *2]"
1 116 VAL 5.536 0.420 10 0 "[ . 1 . 2]"
1 117 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 GLN 4.278 0.420 10 0 "[ . 1 . 2]"
1 119 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 SER 0.789 0.191 19 0 "[ . 1 . 2]"
1 121 PHE 28.847 0.531 2 3 "[ + . 1 . * -]"
1 122 ILE 10.109 0.576 3 2 "[ +-. 1 . 2]"
1 123 GLU 3.843 0.576 3 2 "[ +-. 1 . 2]"
1 124 PRO 9.293 0.582 8 10 "[* * -* +** * * *2]"
1 125 LEU 4.947 0.539 9 4 "[ * +* - 2]"
1 126 ALA 18.888 0.669 12 8 "[ * . * 1*+- * * *2]"
1 127 GLU 10.349 0.577 4 5 "[ * +* 1 -. * 2]"
1 128 THR 15.682 0.496 18 0 "[ . 1 . 2]"
1 129 ILE 36.909 0.596 2 12 "[ +* .*** 1 **-*** *2]"
1 130 THR 1.900 0.507 2 1 "[ + . 1 . 2]"
1 131 ASP 1.998 0.491 13 0 "[ . 1 . 2]"
1 132 VAL 2.921 0.416 16 0 "[ . 1 . 2]"
1 133 LEU 22.434 0.493 5 0 "[ . 1 . 2]"
1 134 VAL 33.904 0.596 18 7 "[ -* **1 *. *+ 2]"
1 135 ARG 1.847 0.531 8 1 "[ . + 1 . 2]"
1 136 THR 9.098 0.611 5 11 "[****+* ** *-* 2]"
1 137 LYS 8.735 0.576 19 5 "[* . -* *. +2]"
1 138 ARG 8.678 1.015 14 12 "[ **** ** -***+. *]"
1 139 ASP 3.914 1.015 14 2 "[ - . 1 +. 2]"
1 140 TRP 26.463 0.601 13 13 "[****. **1- +** * **]"
1 141 LEU 30.089 0.571 13 12 "[ -* ***** +** ** 2]"
1 142 VAL 2.125 0.371 4 0 "[ . 1 . 2]"
1 143 LYS 15.118 1.053 16 12 "[** *** * 1 ****+ *]"
1 144 GLN 21.854 1.053 16 13 "[** *** * 1 ***-+* *]"
1 145 ARG 17.329 0.879 11 14 "[*** * ** -+ ***** *2]"
1 146 GLY 3.677 0.743 14 2 "[ . - 1 +. 2]"
1 147 TRP 28.963 0.574 17 8 "[ *. ** -* . +**2]"
1 148 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 GLY 0.046 0.046 14 0 "[ . 1 . 2]"
1 150 PHE 28.214 0.728 11 13 "[ ** .**-**+**** *2]"
1 151 VAL 21.200 0.728 11 10 "[ - .*****+ ** * 2]"
1 152 GLU 0.032 0.032 17 0 "[ . 1 . 2]"
1 153 PHE 39.743 0.621 5 16 "[ * *+** *****-*****2]"
1 154 PHE 24.858 0.597 4 14 "[* *+* - * ********]"
1 155 HIS 2.870 0.437 10 0 "[ . 1 . 2]"
1 156 VAL 9.429 0.786 13 9 "[- . *1**+*.*** 2]"
1 157 GLN 11.102 0.786 13 9 "[- . *1**+*.*** 2]"
1 158 ASP 3.471 0.450 17 0 "[ . 1 . 2]"
1 159 LEU 13.732 0.662 19 7 "[ *** 1 * - +*]"
1 160 GLU 14.543 0.662 19 7 "[ *** 1 * - +*]"
1 161 GLY 2.382 0.352 1 0 "[ . 1 . 2]"
1 162 GLY 0.087 0.087 20 0 "[ . 1 . 2]"
2 4 TRP 2.565 0.515 17 1 "[ . 1 . + 2]"
2 5 ALA 0.990 0.467 18 0 "[ . 1 . 2]"
2 8 ILE 20.970 0.552 14 5 "[ *. - 1 +. * *]"
2 9 GLY 2.583 0.555 19 1 "[ . 1 . +2]"
2 10 ALA 1.293 0.304 9 0 "[ . 1 . 2]"
2 11 GLN 4.357 0.542 14 2 "[ . 1 +- 2]"
2 12 LEU 29.127 0.570 11 6 "[ *** 1+ *. - 2]"
2 13 ARG 2.046 0.381 14 0 "[ . 1 . 2]"
2 15 ILE 40.504 0.629 20 18 "[******* -** *******+]"
2 16 ALA 0.920 0.110 20 0 "[ . 1 . 2]"
2 19 LEU 12.472 0.616 14 7 "[ * *. * *+.* * 2]"
2 20 ASN 29.955 0.646 9 12 "[ *****+* **. ** *]"
2 23 TYR 14.425 0.607 17 12 "[ * .*** **** .*+* -]"
2 24 GLU 9.931 0.586 12 8 "[ . ***+*-.* * 2]"
2 25 ARG 2.460 0.584 14 2 "[ . - +. 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 16 ILE HA 1 16 ILE MD 2.905 . 4.010 3.805 3.772 3.833 . 0 0 "[ . 1 . 2]" 1
2 1 16 ILE HA 1 16 ILE MG 2.750 . 3.700 2.502 2.443 2.572 . 0 0 "[ . 1 . 2]" 1
3 1 136 THR HA 1 136 THR MG 2.500 . 3.200 2.731 2.198 3.223 0.023 16 0 "[ . 1 . 2]" 1
4 1 150 PHE HA 1 150 PHE QD 3.130 . 4.460 2.653 2.497 2.868 . 0 0 "[ . 1 . 2]" 1
5 1 21 LEU HA 1 21 LEU MD2 2.750 . 3.700 2.245 1.802 3.738 0.038 4 0 "[ . 1 . 2]" 1
6 1 145 ARG HA 1 145 ARG QD 2.735 . 3.670 3.681 1.963 4.318 0.648 8 5 "[ . *+ - *.* 2]" 1
7 1 94 THR HA 1 94 THR MG 2.790 . 3.780 2.221 2.166 2.312 . 0 0 "[ . 1 . 2]" 1
8 1 122 ILE MG 1 123 GLU HA 3.415 . 5.030 3.353 2.902 3.539 . 0 0 "[ . 1 . 2]" 1
9 1 84 VAL HA 1 84 VAL MG1 2.625 . 3.450 2.443 2.376 2.551 . 0 0 "[ . 1 . 2]" 1
10 1 84 VAL HA 1 84 VAL MG2 2.625 . 3.450 2.359 2.276 2.419 . 0 0 "[ . 1 . 2]" 1
11 1 86 VAL HA 1 86 VAL MG1 2.695 . 3.590 2.435 2.330 2.584 . 0 0 "[ . 1 . 2]" 1
12 1 86 VAL HA 1 86 VAL MG2 2.695 . 3.590 2.606 2.251 3.222 . 0 0 "[ . 1 . 2]" 1
13 1 78 VAL HA 1 78 VAL MG2 2.735 . 3.670 2.523 2.270 3.207 . 0 0 "[ . 1 . 2]" 1
14 1 134 VAL HA 1 134 VAL MG2 2.640 . 3.480 2.319 2.261 2.393 . 0 0 "[ . 1 . 2]" 1
15 1 99 ILE HA 1 99 ILE MD 2.920 . 4.040 3.675 2.198 3.884 . 0 0 "[ . 1 . 2]" 1
16 1 55 VAL HA 1 55 VAL MG2 2.635 . 3.470 2.615 2.301 3.217 . 0 0 "[ . 1 . 2]" 1
17 1 55 VAL HA 1 55 VAL MG1 2.635 . 3.470 2.348 2.146 2.476 . 0 0 "[ . 1 . 2]" 1
18 1 16 ILE MG 1 17 ILE HA 3.175 . 4.550 3.206 3.068 3.375 . 0 0 "[ . 1 . 2]" 1
19 1 116 VAL HA 1 116 VAL MG1 2.710 . 3.620 2.305 2.209 3.214 . 0 0 "[ . 1 . 2]" 1
20 1 20 TYR HA 1 20 TYR QD 3.255 . 4.710 2.424 2.144 2.783 . 0 0 "[ . 1 . 2]" 1
21 1 153 PHE HA 1 153 PHE QD 3.080 . 4.360 2.617 2.450 2.876 . 0 0 "[ . 1 . 2]" 1
22 1 9 LEU HA 1 9 LEU MD1 2.775 . 3.750 2.994 2.699 3.264 . 0 0 "[ . 1 . 2]" 1
23 1 10 TYR QD 1 11 ARG HA 3.195 . 4.590 4.292 3.765 4.886 0.296 3 0 "[ . 1 . 2]" 1
24 1 88 VAL HA 1 88 VAL QG 2.840 . 3.880 2.126 2.088 2.144 . 0 0 "[ . 1 . 2]" 1
25 1 16 ILE MD 1 16 ILE MG 2.540 . 3.280 2.004 1.867 2.157 . 0 0 "[ . 1 . 2]" 1
26 1 16 ILE H 1 16 ILE MD 2.760 . 3.720 3.489 3.337 3.604 . 0 0 "[ . 1 . 2]" 1
27 1 16 ILE MD 1 17 ILE H 3.205 . 4.610 4.599 4.461 4.773 0.163 19 0 "[ . 1 . 2]" 1
28 1 72 ILE MG 1 73 LYS H 3.020 . 4.240 2.935 2.592 3.183 . 0 0 "[ . 1 . 2]" 1
29 1 72 ILE MD 1 73 LYS H 3.350 . 4.900 3.868 3.712 4.032 . 0 0 "[ . 1 . 2]" 1
30 1 72 ILE HA 1 72 ILE MD 2.915 . 4.030 2.131 2.047 2.230 . 0 0 "[ . 1 . 2]" 1
31 1 100 VAL MG2 1 101 THR H 3.235 . 4.670 2.922 1.984 3.835 . 0 0 "[ . 1 . 2]" 1
32 1 64 GLN H 1 64 GLN QG 2.930 . 4.060 2.414 2.044 2.763 . 0 0 "[ . 1 . 2]" 1
33 1 99 ILE HB 1 99 ILE MD 2.775 . 3.750 2.426 2.237 3.242 . 0 0 "[ . 1 . 2]" 1
34 1 99 ILE H 1 99 ILE MD 2.910 . 4.020 3.342 2.136 3.719 . 0 0 "[ . 1 . 2]" 1
35 1 73 LYS QB 1 73 LYS QE 3.305 . 4.810 2.976 1.823 3.758 . 0 0 "[ . 1 . 2]" 1
36 1 72 ILE MG 1 73 LYS HA 3.210 . 4.620 3.715 3.463 3.915 . 0 0 "[ . 1 . 2]" 1
37 1 108 PHE QB 1 109 VAL H 3.505 . 5.210 2.631 2.508 2.793 . 0 0 "[ . 1 . 2]" 1
38 1 75 GLU H 1 75 GLU QG 3.510 . 4.490 3.508 1.778 4.005 0.022 17 0 "[ . 1 . 2]" 1
39 1 16 ILE H 1 16 ILE MG 2.820 . 3.840 3.755 3.726 3.769 . 0 0 "[ . 1 . 2]" 1
40 1 16 ILE MG 1 17 ILE H 2.940 . 4.080 3.170 2.975 3.433 . 0 0 "[ . 1 . 2]" 1
41 1 116 VAL H 1 116 VAL MG1 2.755 . 3.710 3.276 2.130 3.881 0.171 18 0 "[ . 1 . 2]" 1
42 1 116 VAL MG1 1 118 GLN H 3.545 . 5.290 4.900 2.709 5.423 0.133 14 0 "[ . 1 . 2]" 1
43 1 100 VAL HA 1 100 VAL MG2 2.620 . 3.440 2.828 2.368 3.214 . 0 0 "[ . 1 . 2]" 1
44 1 99 ILE HA 1 99 ILE MG 2.690 . 3.580 2.456 2.313 2.678 . 0 0 "[ . 1 . 2]" 1
45 1 99 ILE MG 1 100 VAL H 2.880 . 3.960 3.229 2.868 3.432 . 0 0 "[ . 1 . 2]" 1
46 1 51 VAL HA 1 51 VAL MG1 2.765 . 3.730 2.400 2.184 3.226 . 0 0 "[ . 1 . 2]" 1
47 1 51 VAL HA 1 51 VAL MG2 2.765 . 3.730 2.490 2.321 3.212 . 0 0 "[ . 1 . 2]" 1
48 1 25 ALA H 1 25 ALA MB 2.690 . 3.580 2.251 2.227 2.301 . 0 0 "[ . 1 . 2]" 1
49 1 122 ILE H 1 122 ILE MG 2.820 . 3.840 3.767 3.669 3.783 . 0 0 "[ . 1 . 2]" 1
50 1 122 ILE MG 1 123 GLU H 2.835 . 3.870 3.302 2.782 3.540 . 0 0 "[ . 1 . 2]" 1
51 1 122 ILE HA 1 122 ILE MG 2.675 . 3.550 2.429 2.348 2.660 . 0 0 "[ . 1 . 2]" 1
52 1 122 ILE H 1 122 ILE MD 2.830 . 3.860 3.621 3.563 3.768 . 0 0 "[ . 1 . 2]" 1
53 1 122 ILE MD 1 122 ILE MG 2.340 . 2.880 1.922 1.890 1.987 . 0 0 "[ . 1 . 2]" 1
54 1 122 ILE HA 1 122 ILE MD 2.850 . 3.900 3.821 3.754 3.859 . 0 0 "[ . 1 . 2]" 1
55 1 132 VAL HA 1 132 VAL QG 2.545 . 3.290 2.145 2.122 2.317 . 0 0 "[ . 1 . 2]" 1
56 1 88 VAL QG 1 89 PHE HZ 3.365 . 4.930 4.476 3.855 4.901 . 0 0 "[ . 1 . 2]" 1
57 1 88 VAL QG 1 89 PHE QE 3.260 . 3.930 3.722 3.149 4.062 0.132 19 0 "[ . 1 . 2]" 1
58 1 88 VAL QG 1 89 PHE H 3.155 . 3.760 3.209 3.015 3.420 . 0 0 "[ . 1 . 2]" 1
59 1 116 VAL HA 1 116 VAL MG2 2.710 . 3.620 2.896 2.307 3.214 . 0 0 "[ . 1 . 2]" 1
60 1 116 VAL H 1 116 VAL MG2 2.755 . 3.710 2.097 1.842 3.869 0.159 8 0 "[ . 1 . 2]" 1
61 1 109 VAL HA 1 109 VAL MG1 2.645 . 3.490 2.470 2.413 2.545 . 0 0 "[ . 1 . 2]" 1
62 1 109 VAL MG1 1 110 ALA H 2.940 . 4.080 3.294 3.065 3.550 . 0 0 "[ . 1 . 2]" 1
63 1 34 LEU HA 1 34 LEU MD2 3.205 . 4.610 2.782 1.791 3.361 0.009 9 0 "[ . 1 . 2]" 1
64 1 16 ILE HB 1 16 ILE MD 2.680 . 3.560 2.379 2.300 2.453 . 0 0 "[ . 1 . 2]" 1
65 1 16 ILE HB 1 17 ILE H 3.325 . 4.850 2.649 2.512 2.780 . 0 0 "[ . 1 . 2]" 1
66 1 34 LEU HA 1 34 LEU MD1 3.205 . 4.610 3.446 1.900 3.788 . 0 0 "[ . 1 . 2]" 1
67 1 141 LEU QB 1 141 LEU MD2 2.890 . 3.980 2.088 2.057 2.151 . 0 0 "[ . 1 . 2]" 1
68 1 113 LEU QB 1 114 LYS H 3.650 . 5.500 2.520 2.300 2.762 . 0 0 "[ . 1 . 2]" 1
69 1 10 TYR QB 1 11 ARG H 3.125 . 4.090 2.530 2.333 2.724 . 0 0 "[ . 1 . 2]" 1
70 1 28 SER QB 1 29 LYS H 3.380 . 3.810 3.658 3.017 3.999 0.189 11 0 "[ . 1 . 2]" 1
71 1 34 LEU QB 1 34 LEU MD1 2.515 . 3.230 2.103 2.054 2.354 . 0 0 "[ . 1 . 2]" 1
72 1 34 LEU QB 1 34 LEU MD2 2.515 . 3.230 2.155 2.069 2.391 . 0 0 "[ . 1 . 2]" 1
73 1 137 LYS HA 1 137 LYS QD 3.335 . 4.240 2.982 1.797 4.249 0.009 13 0 "[ . 1 . 2]" 1
74 1 14 LEU QD 1 15 GLU H 3.235 . 4.010 3.942 3.815 4.053 0.043 3 0 "[ . 1 . 2]" 1
75 1 14 LEU HA 1 14 LEU QD 2.935 . 3.270 2.076 1.831 2.255 . 0 0 "[ . 1 . 2]" 1
76 1 13 SER HG 1 14 LEU QD 3.290 . 3.990 4.430 3.704 4.766 0.776 14 9 "[* * .* * 1 *+. -**]" 1
77 1 49 ARG HA 1 49 ARG QD 3.030 . 4.260 4.078 3.182 4.409 0.149 11 0 "[ . 1 . 2]" 1
78 1 49 ARG HA 1 49 ARG QG 2.700 . 3.600 2.421 2.029 2.743 . 0 0 "[ . 1 . 2]" 1
79 1 47 THR HA 1 47 THR MG 2.695 . 3.590 2.363 2.259 2.612 . 0 0 "[ . 1 . 2]" 1
80 1 47 THR H 1 47 THR MG 2.965 . 4.130 3.768 3.711 3.797 . 0 0 "[ . 1 . 2]" 1
81 1 49 ARG H 1 49 ARG QG 3.515 . 4.610 3.710 2.013 3.981 . 0 0 "[ . 1 . 2]" 1
82 1 49 ARG H 1 49 ARG QD 3.525 . 5.250 4.407 3.198 4.886 . 0 0 "[ . 1 . 2]" 1
83 1 55 VAL HB 1 56 GLN H 3.145 . 4.490 2.986 2.537 3.827 . 0 0 "[ . 1 . 2]" 1
84 1 61 THR MG 1 62 ALA H 2.815 . 3.830 3.891 2.085 4.080 0.250 20 0 "[ . 1 . 2]" 1
85 1 61 THR MG 1 63 PHE H 3.265 . 4.730 5.590 4.279 5.771 1.041 4 19 [***+.************-**] 1
86 1 70 LEU H 1 70 LEU HG 3.355 . 4.910 3.120 1.924 4.279 . 0 0 "[ . 1 . 2]" 1
87 1 72 ILE H 1 72 ILE HB 2.995 . 4.190 2.630 2.588 2.684 . 0 0 "[ . 1 . 2]" 1
88 1 72 ILE MD 1 74 ASN H 3.370 . 4.940 4.727 4.520 5.060 0.120 3 0 "[ . 1 . 2]" 1
89 1 72 ILE H 1 72 ILE QG 3.325 . 4.850 2.186 1.970 2.593 . 0 0 "[ . 1 . 2]" 1
90 1 72 ILE HB 1 72 ILE MD 2.555 . 3.310 3.241 3.238 3.243 . 0 0 "[ . 1 . 2]" 1
91 1 84 VAL HB 1 85 MET H 2.900 . 4.000 2.540 2.337 2.653 . 0 0 "[ . 1 . 2]" 1
92 1 99 ILE MD 1 99 ILE MG 2.515 . 3.230 2.128 1.906 3.166 . 0 0 "[ . 1 . 2]" 1
93 1 99 ILE HB 1 100 VAL H 3.250 . 4.700 2.504 2.247 2.777 . 0 0 "[ . 1 . 2]" 1
94 1 101 THR MG 1 102 LEU H 2.890 . 3.980 3.640 3.306 4.216 0.236 14 0 "[ . 1 . 2]" 1
95 1 101 THR HB 1 102 LEU H 3.585 . 5.370 2.748 2.450 3.221 . 0 0 "[ . 1 . 2]" 1
96 1 101 THR HA 1 101 THR MG 3.005 . 4.210 2.339 2.098 2.503 . 0 0 "[ . 1 . 2]" 1
97 1 100 VAL HA 1 100 VAL MG1 2.620 . 3.440 2.484 2.209 3.211 . 0 0 "[ . 1 . 2]" 1
98 1 100 VAL MG1 1 101 THR H 3.235 . 4.670 3.529 2.012 4.130 . 0 0 "[ . 1 . 2]" 1
99 1 103 ILE MG 1 104 SER HA 2.910 . 4.020 3.670 3.369 3.991 . 0 0 "[ . 1 . 2]" 1
100 1 104 SER QB 1 105 PHE H 3.240 . 4.680 2.508 2.346 3.338 . 0 0 "[ . 1 . 2]" 1
101 1 109 VAL HA 1 109 VAL MG2 2.645 . 3.490 2.340 2.282 2.385 . 0 0 "[ . 1 . 2]" 1
102 1 109 VAL MG2 1 110 ALA H 2.940 . 4.080 3.869 3.814 3.936 . 0 0 "[ . 1 . 2]" 1
103 1 132 VAL H 1 132 VAL HB 2.945 . 4.090 2.543 2.459 2.689 . 0 0 "[ . 1 . 2]" 1
104 1 140 TRP QB 1 141 LEU H 3.650 . 5.500 2.464 2.364 2.666 . 0 0 "[ . 1 . 2]" 1
105 1 150 PHE QB 1 151 VAL H 3.650 . 4.460 2.486 2.354 2.699 . 0 0 "[ . 1 . 2]" 1
106 1 158 ASP H 1 158 ASP QB 2.665 . 3.530 2.547 2.186 2.810 . 0 0 "[ . 1 . 2]" 1
107 1 48 LEU HA 1 48 LEU HG 2.995 . 4.190 2.791 2.711 2.925 . 0 0 "[ . 1 . 2]" 1
108 1 48 LEU HA 1 48 LEU QD 2.825 . 3.850 2.170 1.971 2.426 . 0 0 "[ . 1 . 2]" 1
109 1 64 GLN QB 1 65 GLY H 3.245 . 4.130 2.789 2.398 3.580 . 0 0 "[ . 1 . 2]" 1
110 1 32 LYS HA 1 33 PRO QD 2.705 . 3.610 1.933 1.795 2.081 0.005 14 0 "[ . 1 . 2]" 1
111 1 32 LYS HA 1 33 PRO QG 2.955 . 4.110 3.842 3.684 3.979 . 0 0 "[ . 1 . 2]" 1
112 1 32 LYS HA 1 32 LYS QG 2.845 . 3.890 2.725 2.092 3.417 . 0 0 "[ . 1 . 2]" 1
113 1 66 MET ME 1 67 LEU H 2.945 . 4.090 4.328 3.838 4.790 0.700 18 4 "[* . 1 - *. + 2]" 1
114 1 66 MET H 1 66 MET ME 2.985 . 4.170 3.597 3.125 4.026 . 0 0 "[ . 1 . 2]" 1
115 1 66 MET ME 1 66 MET QG 2.420 . 3.040 2.404 2.225 2.612 . 0 0 "[ . 1 . 2]" 1
116 1 66 MET QB 1 66 MET ME 2.770 . 3.260 2.161 1.887 3.503 0.243 14 0 "[ . 1 . 2]" 1
117 1 21 LEU H 1 21 LEU HG 3.270 . 4.740 3.508 2.828 4.224 . 0 0 "[ . 1 . 2]" 1
118 1 21 LEU QB 1 21 LEU MD1 2.725 . 3.650 2.136 2.069 2.284 . 0 0 "[ . 1 . 2]" 1
119 1 21 LEU HA 1 21 LEU MD1 2.750 . 3.700 2.810 2.372 3.424 . 0 0 "[ . 1 . 2]" 1
120 1 21 LEU H 1 21 LEU MD1 3.020 . 4.240 3.885 2.560 4.315 0.075 20 0 "[ . 1 . 2]" 1
121 1 67 LEU HA 1 67 LEU QD 2.970 . 3.450 2.086 1.912 2.697 . 0 0 "[ . 1 . 2]" 1
122 1 78 VAL H 1 78 VAL MG2 2.800 . 3.800 2.056 1.793 2.333 0.007 8 0 "[ . 1 . 2]" 1
123 1 78 VAL HB 1 79 LYS H 2.985 . 4.170 2.889 2.516 4.087 . 0 0 "[ . 1 . 2]" 1
124 1 86 VAL H 1 86 VAL MG1 2.780 . 3.760 3.293 2.155 3.779 0.019 18 0 "[ . 1 . 2]" 1
125 1 86 VAL H 1 86 VAL MG2 2.780 . 3.760 2.165 1.874 2.434 . 0 0 "[ . 1 . 2]" 1
126 1 102 LEU QB 1 102 LEU MD2 2.920 . 4.040 2.186 2.085 2.440 . 0 0 "[ . 1 . 2]" 1
127 1 102 LEU QB 1 102 LEU MD1 2.920 . 4.040 2.242 2.083 2.427 . 0 0 "[ . 1 . 2]" 1
128 1 102 LEU HA 1 102 LEU MD1 2.950 . 4.100 2.658 1.864 3.907 . 0 0 "[ . 1 . 2]" 1
129 1 102 LEU HA 1 102 LEU MD2 2.950 . 4.100 3.193 1.985 3.851 . 0 0 "[ . 1 . 2]" 1
130 1 102 LEU H 1 102 LEU MD1 3.020 . 4.240 3.269 2.328 3.858 . 0 0 "[ . 1 . 2]" 1
131 1 102 LEU H 1 102 LEU MD2 3.020 . 4.240 3.622 2.700 4.239 . 0 0 "[ . 1 . 2]" 1
132 1 129 ILE MD 1 129 ILE MG 2.650 . 3.500 1.996 1.922 2.043 . 0 0 "[ . 1 . 2]" 1
133 1 129 ILE H 1 129 ILE MD 2.830 . 3.860 3.481 3.379 3.572 . 0 0 "[ . 1 . 2]" 1
134 1 129 ILE H 1 129 ILE QG 3.300 . 4.150 2.141 1.926 2.243 . 0 0 "[ . 1 . 2]" 1
135 1 129 ILE HB 1 130 THR H 3.385 . 4.970 2.406 2.251 2.544 . 0 0 "[ . 1 . 2]" 1
136 1 129 ILE MG 1 130 THR H 3.145 . 4.490 3.106 2.952 3.289 . 0 0 "[ . 1 . 2]" 1
137 1 129 ILE MD 1 130 THR H 3.195 . 4.590 4.368 4.169 4.514 . 0 0 "[ . 1 . 2]" 1
138 1 129 ILE HA 1 129 ILE MG 2.700 . 3.600 2.464 2.374 2.498 . 0 0 "[ . 1 . 2]" 1
139 1 129 ILE HB 1 129 ILE MD 2.575 . 3.350 2.368 2.341 2.410 . 0 0 "[ . 1 . 2]" 1
140 1 103 ILE HA 1 103 ILE MG 2.690 . 3.580 2.321 2.225 2.423 . 0 0 "[ . 1 . 2]" 1
141 1 103 ILE MD 1 103 ILE MG 2.560 . 3.320 1.924 1.830 2.028 . 0 0 "[ . 1 . 2]" 1
142 1 103 ILE HB 1 103 ILE MD 2.635 . 3.470 2.397 2.360 2.448 . 0 0 "[ . 1 . 2]" 1
143 1 63 PHE HA 1 63 PHE QE 3.650 . 5.500 4.314 3.998 4.494 . 0 0 "[ . 1 . 2]" 1
144 1 17 ILE H 1 17 ILE MG 2.905 . 4.010 3.750 3.672 3.791 . 0 0 "[ . 1 . 2]" 1
145 1 17 ILE H 1 17 ILE QG 3.530 . 4.630 2.401 2.186 2.642 . 0 0 "[ . 1 . 2]" 1
146 1 17 ILE MG 1 18 SER H 3.160 . 4.520 3.181 2.947 3.312 . 0 0 "[ . 1 . 2]" 1
147 1 17 ILE H 1 17 ILE MD 2.930 . 4.060 3.704 3.572 3.866 . 0 0 "[ . 1 . 2]" 1
148 1 17 ILE MD 1 18 SER H 3.040 . 4.280 4.703 4.558 4.909 0.629 2 4 "[ + . -1 .* *]" 1
149 1 16 ILE MG 1 17 ILE MD 3.230 . 4.660 4.520 4.332 4.684 0.024 19 0 "[ . 1 . 2]" 1
150 1 16 ILE MD 1 17 ILE MD 3.590 . 5.380 5.623 5.452 5.803 0.423 17 0 "[ . 1 . 2]" 1
151 1 17 ILE HB 1 17 ILE MD 2.570 . 3.340 2.443 2.393 2.514 . 0 0 "[ . 1 . 2]" 1
152 1 17 ILE HA 1 17 ILE MG 2.820 . 3.840 2.519 2.428 2.654 . 0 0 "[ . 1 . 2]" 1
153 1 17 ILE HA 1 17 ILE MD 3.095 . 4.390 3.772 3.708 3.821 . 0 0 "[ . 1 . 2]" 1
154 1 45 LEU H 1 45 LEU MD2 2.990 . 4.180 4.197 3.133 4.324 0.144 15 0 "[ . 1 . 2]" 1
155 1 45 LEU HA 1 45 LEU MD2 2.825 . 3.850 3.570 1.806 3.936 0.086 19 0 "[ . 1 . 2]" 1
156 1 69 LYS HA 1 69 LYS QG 2.990 . 4.180 2.382 2.178 2.580 . 0 0 "[ . 1 . 2]" 1
157 1 69 LYS H 1 69 LYS QB 2.970 . 4.140 2.338 2.064 2.568 . 0 0 "[ . 1 . 2]" 1
158 1 69 LYS QB 1 70 LEU H 2.945 . 4.090 2.708 2.320 3.639 . 0 0 "[ . 1 . 2]" 1
159 1 69 LYS H 1 70 LEU HG 3.650 . 5.500 5.044 3.794 6.626 1.126 9 5 "[* *. +- .* 2]" 1
160 1 107 ALA MB 1 108 PHE H 2.685 . 3.570 2.532 2.441 2.609 . 0 0 "[ . 1 . 2]" 1
161 1 151 VAL H 1 151 VAL MG1 2.690 . 3.580 2.918 1.850 3.784 0.204 11 0 "[ . 1 . 2]" 1
162 1 151 VAL H 1 151 VAL MG2 2.690 . 3.580 2.133 1.904 2.491 . 0 0 "[ . 1 . 2]" 1
163 1 151 VAL HA 1 151 VAL MG1 2.895 . 3.990 2.401 2.260 2.528 . 0 0 "[ . 1 . 2]" 1
164 1 151 VAL HA 1 151 VAL MG2 2.895 . 3.990 2.796 2.312 3.219 . 0 0 "[ . 1 . 2]" 1
165 1 156 VAL HB 1 157 GLN H 3.435 . 5.070 3.378 1.764 4.423 0.036 16 0 "[ . 1 . 2]" 1
166 1 157 GLN H 1 157 GLN QG 3.085 . 4.370 3.134 1.864 4.404 0.034 10 0 "[ . 1 . 2]" 1
167 1 157 GLN HA 1 157 GLN QG 2.850 . 3.900 2.713 2.246 3.349 . 0 0 "[ . 1 . 2]" 1
168 1 9 LEU H 1 9 LEU MD2 3.065 . 4.330 3.885 3.687 4.075 . 0 0 "[ . 1 . 2]" 1
169 1 9 LEU QB 1 9 LEU MD1 2.675 . 3.550 2.222 2.185 2.263 . 0 0 "[ . 1 . 2]" 1
170 1 9 LEU HA 1 9 LEU MD2 2.775 . 3.750 1.853 1.777 1.969 0.023 2 0 "[ . 1 . 2]" 1
171 1 9 LEU QB 1 9 LEU MD2 2.675 . 3.550 2.432 2.370 2.500 . 0 0 "[ . 1 . 2]" 1
172 1 9 LEU H 1 9 LEU MD1 3.065 . 4.330 4.289 4.180 4.342 0.012 10 0 "[ . 1 . 2]" 1
173 1 9 LEU MD1 1 10 TYR H 3.150 . 4.500 3.512 3.233 3.925 . 0 0 "[ . 1 . 2]" 1
174 1 9 LEU MD2 1 10 TYR H 3.150 . 4.500 4.456 4.253 4.616 0.116 3 0 "[ . 1 . 2]" 1
175 1 11 ARG HA 1 11 ARG QD 3.255 . 4.710 2.586 1.861 4.077 . 0 0 "[ . 1 . 2]" 1
176 1 11 ARG HA 1 11 ARG QG 3.020 . 4.240 2.529 2.160 3.033 . 0 0 "[ . 1 . 2]" 1
177 1 11 ARG QB 1 11 ARG QD 2.350 . 2.900 2.437 2.035 2.846 . 0 0 "[ . 1 . 2]" 1
178 1 11 ARG QD 1 11 ARG QG 2.380 . 2.960 2.035 1.967 2.091 . 0 0 "[ . 1 . 2]" 1
179 1 10 TYR QE 1 11 ARG QD 3.225 . 4.650 5.177 4.141 5.632 0.982 7 13 "[* * .*+ ******. -**2]" 1
180 1 11 ARG H 1 11 ARG QG 3.070 . 4.340 3.063 1.873 4.049 . 0 0 "[ . 1 . 2]" 1
181 1 11 ARG QG 1 12 GLN H 3.510 . 5.220 4.213 3.685 4.533 . 0 0 "[ . 1 . 2]" 1
182 1 10 TYR QD 1 11 ARG QG 3.650 . 5.500 4.449 2.641 5.861 0.361 10 0 "[ . 1 . 2]" 1
183 1 15 GLU H 1 15 GLU QG 3.265 . 3.980 3.749 1.971 4.094 0.114 18 0 "[ . 1 . 2]" 1
184 1 15 GLU QB 1 16 ILE H 3.350 . 4.900 2.497 2.292 3.461 . 0 0 "[ . 1 . 2]" 1
185 1 16 ILE HB 1 17 ILE HB 3.160 . 4.520 4.841 4.592 4.990 0.470 15 0 "[ . 1 . 2]" 1
186 1 24 GLN HA 1 24 GLN QE 3.280 . 4.310 3.582 2.242 4.280 . 0 0 "[ . 1 . 2]" 1
187 1 55 VAL MG2 1 56 GLN H 3.140 . 4.480 3.360 2.075 3.973 . 0 0 "[ . 1 . 2]" 1
188 1 55 VAL MG1 1 56 GLN H 3.140 . 4.480 3.699 3.331 4.263 . 0 0 "[ . 1 . 2]" 1
189 1 73 LYS QE 1 73 LYS QG 2.975 . 4.150 2.370 1.948 2.918 . 0 0 "[ . 1 . 2]" 1
190 1 93 VAL HB 1 94 THR H 3.460 . 5.120 3.195 2.014 4.387 . 0 0 "[ . 1 . 2]" 1
191 1 134 VAL H 1 134 VAL MG2 2.835 . 3.870 2.426 2.165 2.611 . 0 0 "[ . 1 . 2]" 1
192 1 134 VAL HA 1 134 VAL MG1 2.640 . 3.480 2.501 2.384 2.587 . 0 0 "[ . 1 . 2]" 1
193 1 134 VAL H 1 134 VAL MG1 2.835 . 3.870 3.753 3.708 3.787 . 0 0 "[ . 1 . 2]" 1
194 1 134 VAL MG1 1 135 ARG H 2.915 . 4.030 3.240 2.990 3.612 . 0 0 "[ . 1 . 2]" 1
195 1 133 LEU QB 1 133 LEU MD2 2.570 . 3.340 2.201 2.061 2.283 . 0 0 "[ . 1 . 2]" 1
196 1 133 LEU QB 1 133 LEU MD1 2.570 . 3.340 2.115 2.069 2.626 . 0 0 "[ . 1 . 2]" 1
197 1 133 LEU H 1 133 LEU MD1 2.840 . 3.880 3.887 3.639 4.048 0.168 3 0 "[ . 1 . 2]" 1
198 1 133 LEU HA 1 133 LEU MD2 2.600 . 3.400 2.581 2.014 3.749 0.349 5 0 "[ . 1 . 2]" 1
199 1 130 THR HA 1 130 THR MG 2.960 . 4.120 2.357 2.233 3.219 . 0 0 "[ . 1 . 2]" 1
200 1 130 THR MG 1 131 ASP H 3.280 . 4.760 3.394 2.135 3.628 . 0 0 "[ . 1 . 2]" 1
201 1 128 THR H 1 128 THR HB 2.995 . 4.190 2.577 2.470 2.660 . 0 0 "[ . 1 . 2]" 1
202 1 128 THR HB 1 129 ILE H 2.925 . 4.050 2.488 2.368 2.595 . 0 0 "[ . 1 . 2]" 1
203 1 128 THR MG 1 129 ILE H 2.530 . 3.260 3.355 3.183 3.595 0.335 6 0 "[ . 1 . 2]" 1
204 1 125 LEU QB 1 125 LEU MD1 2.980 . 4.160 2.298 2.094 2.365 . 0 0 "[ . 1 . 2]" 1
205 1 125 LEU QB 1 125 LEU MD2 2.980 . 4.160 2.288 2.090 2.335 . 0 0 "[ . 1 . 2]" 1
206 1 125 LEU MD2 1 126 ALA H 3.475 . 5.150 4.467 3.905 4.576 . 0 0 "[ . 1 . 2]" 1
207 1 125 LEU H 1 125 LEU MD2 3.240 . 4.680 3.082 2.751 4.260 . 0 0 "[ . 1 . 2]" 1
208 1 125 LEU HA 1 125 LEU MD1 3.190 . 4.580 2.170 1.876 3.778 . 0 0 "[ . 1 . 2]" 1
209 1 125 LEU HA 1 125 LEU MD2 3.190 . 4.580 2.223 1.842 3.887 . 0 0 "[ . 1 . 2]" 1
210 1 125 LEU H 1 125 LEU MD1 3.240 . 4.680 4.104 3.857 4.234 . 0 0 "[ . 1 . 2]" 1
211 1 125 LEU MD1 1 126 ALA H 3.475 . 5.150 4.315 4.078 4.586 . 0 0 "[ . 1 . 2]" 1
212 1 141 LEU HA 1 141 LEU MD2 2.885 . 3.970 3.692 2.973 4.042 0.072 17 0 "[ . 1 . 2]" 1
213 1 141 LEU H 1 141 LEU MD2 3.000 . 4.200 3.697 2.182 4.257 0.057 7 0 "[ . 1 . 2]" 1
214 1 141 LEU HA 1 141 LEU MD1 2.885 . 3.970 2.731 1.800 3.812 0.000 1 0 "[ . 1 . 2]" 1
215 1 141 LEU H 1 141 LEU MD1 3.000 . 4.200 2.730 2.026 3.959 . 0 0 "[ . 1 . 2]" 1
216 1 141 LEU QB 1 141 LEU MD1 2.890 . 3.980 2.258 2.061 2.517 . 0 0 "[ . 1 . 2]" 1
217 1 17 ILE QG 1 17 ILE MG 2.895 . 3.990 2.334 2.273 2.411 . 0 0 "[ . 1 . 2]" 1
218 1 115 SER QB 1 116 VAL H 3.390 . 4.270 2.823 2.649 3.520 . 0 0 "[ . 1 . 2]" 1
219 1 122 ILE HB 1 123 GLU H 3.405 . 5.010 2.502 2.314 2.746 . 0 0 "[ . 1 . 2]" 1
220 1 138 ARG H 1 138 ARG QD 3.650 . 4.820 4.064 1.795 4.897 0.077 14 0 "[ . 1 . 2]" 1
221 1 138 ARG QG 1 139 ASP H 3.200 . 4.600 3.093 1.781 4.500 0.019 17 0 "[ . 1 . 2]" 1
222 1 138 ARG HA 1 138 ARG QG 3.020 . 3.730 2.764 2.045 3.459 . 0 0 "[ . 1 . 2]" 1
223 1 142 VAL HA 1 142 VAL MG2 2.610 . 3.420 2.462 2.284 3.211 . 0 0 "[ . 1 . 2]" 1
224 1 142 VAL HA 1 142 VAL MG1 2.610 . 3.420 2.446 2.247 2.531 . 0 0 "[ . 1 . 2]" 1
225 1 142 VAL MG1 1 143 LYS H 2.775 . 3.750 3.459 3.191 4.121 0.371 4 0 "[ . 1 . 2]" 1
226 1 139 ASP QB 1 141 LEU H 3.515 . 5.230 5.131 4.838 5.437 0.207 14 0 "[ . 1 . 2]" 1
227 1 145 ARG H 1 145 ARG QD 2.975 . 4.150 4.570 3.631 5.029 0.879 11 12 "[*** * *- 1+ *** * *2]" 1
228 1 145 ARG H 1 145 ARG QG 3.650 . 4.850 3.133 2.590 3.939 . 0 0 "[ . 1 . 2]" 1
229 1 9 LEU H 1 9 LEU HG 3.270 . 4.740 4.557 4.482 4.639 . 0 0 "[ . 1 . 2]" 1
230 1 14 LEU HA 1 14 LEU HG 2.965 . 4.130 2.692 2.565 2.797 . 0 0 "[ . 1 . 2]" 1
231 1 26 THR MG 1 28 SER QB 3.650 . 4.770 4.414 2.904 5.767 0.997 5 2 "[ + 1 - 2]" 1
232 1 59 HIS HA 1 60 GLU H 2.650 . 3.500 2.707 2.601 2.888 . 0 0 "[ . 1 . 2]" 1
233 1 62 ALA MB 1 63 PHE QE 3.115 . 4.430 4.786 4.293 5.345 0.915 13 7 "[ *.** 1 *+ . *-2]" 1
234 1 73 LYS HA 1 73 LYS QG 2.800 . 3.800 2.887 1.979 3.444 . 0 0 "[ . 1 . 2]" 1
235 1 19 ARG H 1 19 ARG QG 3.440 . 5.080 3.349 2.041 4.044 . 0 0 "[ . 1 . 2]" 1
236 1 85 MET HA 1 85 MET ME 3.055 . 4.310 3.872 3.392 4.109 . 0 0 "[ . 1 . 2]" 1
237 1 113 LEU MD2 1 114 LYS H 3.135 . 4.470 4.667 4.511 4.897 0.427 13 0 "[ . 1 . 2]" 1
238 1 113 LEU H 1 113 LEU MD1 3.265 . 4.730 3.465 3.033 3.694 . 0 0 "[ . 1 . 2]" 1
239 1 113 LEU H 1 113 LEU MD2 3.265 . 4.730 3.622 3.264 3.970 . 0 0 "[ . 1 . 2]" 1
240 1 113 LEU HA 1 113 LEU MD1 2.835 . 3.870 2.710 1.760 3.910 0.040 6 0 "[ . 1 . 2]" 1
241 1 116 VAL MG2 1 118 GLN H 3.545 . 5.290 3.663 2.495 4.882 . 0 0 "[ . 1 . 2]" 1
242 1 136 THR MG 1 137 LYS H 2.950 . 4.100 3.205 2.100 4.211 0.111 2 0 "[ . 1 . 2]" 1
243 1 21 LEU QB 1 21 LEU MD2 2.725 . 3.650 2.488 2.095 2.643 . 0 0 "[ . 1 . 2]" 1
244 1 23 GLU QG 1 24 GLN H 3.095 . 4.390 3.064 1.790 4.581 0.191 8 0 "[ . 1 . 2]" 1
245 1 23 GLU H 1 23 GLU QG 3.270 . 4.740 2.442 1.866 3.988 . 0 0 "[ . 1 . 2]" 1
246 1 32 LYS H 1 32 LYS QG 3.100 . 4.400 2.761 1.776 4.240 0.024 20 0 "[ . 1 . 2]" 1
247 1 32 LYS QE 1 32 LYS QG 2.560 . 3.320 2.254 2.115 2.414 . 0 0 "[ . 1 . 2]" 1
248 1 32 LYS QG 1 33 PRO QD 3.225 . 4.060 3.361 1.922 4.171 0.111 13 0 "[ . 1 . 2]" 1
249 1 32 LYS HA 1 32 LYS QE 3.210 . 4.620 4.411 3.396 5.239 0.619 9 1 "[ . +1 . 2]" 1
250 1 29 LYS QB 1 29 LYS QE 2.400 . 3.000 3.067 2.004 3.696 0.696 13 12 "[ * *.*-* 1 *+*. ****]" 1
251 1 29 LYS HA 1 29 LYS QE 3.550 . 5.300 3.985 2.087 5.687 0.387 19 0 "[ . 1 . 2]" 1
252 1 29 LYS HA 1 29 LYS QD 2.715 . 3.630 3.098 1.788 4.412 0.782 15 4 "[* . - + *2]" 1
253 1 29 LYS HA 1 29 LYS QG 2.935 . 4.070 2.755 2.245 3.414 . 0 0 "[ . 1 . 2]" 1
254 1 29 LYS QE 1 29 LYS QG 2.435 . 2.680 2.289 2.090 2.786 0.106 5 0 "[ . 1 . 2]" 1
255 1 29 LYS H 1 29 LYS QG 3.650 . 3.950 3.180 1.777 4.142 0.192 9 0 "[ . 1 . 2]" 1
256 1 34 LEU HG 1 35 GLY H 3.650 . 5.500 5.079 4.847 6.044 0.544 1 2 "[+ . 1 . -]" 1
257 1 34 LEU H 1 34 LEU HG 3.390 . 4.980 3.298 2.748 4.067 . 0 0 "[ . 1 . 2]" 1
258 1 36 GLU HA 1 36 GLU QG 2.870 . 3.940 2.891 2.443 3.486 . 0 0 "[ . 1 . 2]" 1
259 1 45 LEU QB 1 45 LEU MD1 2.710 . 3.620 2.236 2.070 2.358 . 0 0 "[ . 1 . 2]" 1
260 1 45 LEU HA 1 45 LEU MD1 2.825 . 3.850 2.304 1.904 3.758 . 0 0 "[ . 1 . 2]" 1
261 1 45 LEU QB 1 45 LEU MD2 2.710 . 3.620 2.133 2.066 2.487 . 0 0 "[ . 1 . 2]" 1
262 1 67 LEU H 1 67 LEU HG 3.205 . 4.610 4.449 4.057 4.554 . 0 0 "[ . 1 . 2]" 1
263 1 67 LEU HA 1 67 LEU HG 3.030 . 4.260 2.920 2.305 3.375 . 0 0 "[ . 1 . 2]" 1
264 1 70 LEU QB 1 70 LEU QD 2.615 . 3.430 1.908 1.859 2.046 . 0 0 "[ . 1 . 2]" 1
265 1 45 LEU QB 1 46 GLU H 3.220 . 4.080 2.502 2.341 2.620 . 0 0 "[ . 1 . 2]" 1
266 1 119 GLU H 1 119 GLU QG 2.990 . 4.180 3.109 2.348 4.056 . 0 0 "[ . 1 . 2]" 1
267 1 123 GLU H 1 123 GLU QG 2.850 . 3.900 2.151 1.745 3.411 0.055 10 0 "[ . 1 . 2]" 1
268 1 123 GLU HA 1 123 GLU QG 2.800 . 3.800 2.985 2.466 3.243 . 0 0 "[ . 1 . 2]" 1
269 1 123 GLU QB 1 123 GLU QG 2.345 . 2.890 1.988 1.898 2.018 . 0 0 "[ . 1 . 2]" 1
270 1 122 ILE MG 1 123 GLU QG 2.945 . 4.090 4.115 3.459 4.666 0.576 3 2 "[ +-. 1 . 2]" 1
271 1 134 VAL MG2 1 135 ARG H 2.915 . 4.030 3.972 3.832 4.059 0.029 7 0 "[ . 1 . 2]" 1
272 1 137 LYS H 1 137 LYS QD 3.580 . 4.560 3.859 2.372 4.815 0.255 19 0 "[ . 1 . 2]" 1
273 1 111 LYS QB 1 111 LYS QE 3.190 . 4.580 2.884 1.927 3.738 . 0 0 "[ . 1 . 2]" 1
274 1 111 LYS H 1 111 LYS QG 3.650 . 5.500 3.073 1.960 4.062 . 0 0 "[ . 1 . 2]" 1
275 1 111 LYS QG 1 112 HIS H 3.475 . 4.530 3.912 2.390 4.423 . 0 0 "[ . 1 . 2]" 1
276 1 114 LYS H 1 114 LYS QG 3.515 . 4.510 3.952 3.460 4.090 . 0 0 "[ . 1 . 2]" 1
277 1 114 LYS H 1 114 LYS QD 3.225 . 4.650 4.262 4.076 4.458 . 0 0 "[ . 1 . 2]" 1
278 1 114 LYS QB 1 114 LYS QE 3.650 . 5.500 3.627 2.321 3.749 . 0 0 "[ . 1 . 2]" 1
279 1 114 LYS QD 1 115 SER H 3.430 . 5.060 4.669 4.097 5.065 0.005 7 0 "[ . 1 . 2]" 1
280 1 3 LEU HA 1 3 LEU MD1 3.650 . 5.500 3.228 1.824 4.054 . 0 0 "[ . 1 . 2]" 1
281 1 3 LEU HA 1 3 LEU MD2 3.650 . 5.500 2.884 1.905 3.925 . 0 0 "[ . 1 . 2]" 1
282 1 45 LEU MD2 1 46 GLU H 2.985 . 4.170 4.166 3.521 4.605 0.435 18 0 "[ . 1 . 2]" 1
283 1 67 LEU QB 1 68 ARG H 3.115 . 4.430 2.559 2.360 2.806 . 0 0 "[ . 1 . 2]" 1
284 1 67 LEU HA 1 68 ARG H 2.670 . 3.540 3.556 3.500 3.585 0.045 5 0 "[ . 1 . 2]" 1
285 1 67 LEU HG 1 68 ARG H 3.330 . 4.860 4.116 2.944 5.080 0.220 8 0 "[ . 1 . 2]" 1
286 1 76 GLY QA 1 78 VAL HB 3.595 . 5.390 4.826 4.113 6.444 1.054 17 2 "[ - . 1 . + 2]" 1
287 1 78 VAL HA 1 78 VAL MG1 2.735 . 3.670 2.394 2.285 2.544 . 0 0 "[ . 1 . 2]" 1
288 1 78 VAL H 1 78 VAL MG1 2.800 . 3.800 3.511 2.044 3.781 . 0 0 "[ . 1 . 2]" 1
289 1 128 THR MG 1 129 ILE MD 3.470 . 5.140 5.058 4.836 5.312 0.172 6 0 "[ . 1 . 2]" 1
290 1 128 THR HA 1 128 THR MG 2.545 . 3.290 2.406 2.343 2.482 . 0 0 "[ . 1 . 2]" 1
291 1 29 LYS QD 1 29 LYS QE 2.265 . 2.730 2.052 1.987 2.094 . 0 0 "[ . 1 . 2]" 1
292 1 73 LYS QD 1 74 ASN H 3.365 . 4.310 4.387 2.213 5.252 0.942 11 6 "[ * * *+ -. *]" 1
293 1 152 GLU HA 1 152 GLU QG 3.015 . 3.430 2.400 2.076 2.945 . 0 0 "[ . 1 . 2]" 1
294 1 152 GLU QB 1 153 PHE H 3.335 . 4.870 2.491 2.123 2.837 . 0 0 "[ . 1 . 2]" 1
295 1 79 LYS HA 1 79 LYS QG 2.715 . 3.630 2.515 2.184 3.101 . 0 0 "[ . 1 . 2]" 1
296 1 79 LYS HA 1 79 LYS QD 2.995 . 4.190 2.996 1.746 4.112 0.054 7 0 "[ . 1 . 2]" 1
297 1 79 LYS QB 1 79 LYS QD 2.740 . 3.680 2.274 2.056 2.549 . 0 0 "[ . 1 . 2]" 1
298 1 141 LEU QB 1 142 VAL H 3.480 . 4.340 2.788 2.429 3.495 . 0 0 "[ . 1 . 2]" 1
299 1 25 ALA MB 1 26 THR HA 3.075 . 4.350 3.887 3.780 4.147 . 0 0 "[ . 1 . 2]" 1
300 1 138 ARG QG 1 139 ASP QB 3.305 . 4.810 4.332 3.090 5.825 1.015 14 2 "[ - . 1 +. 2]" 1
301 1 128 THR HB 1 129 ILE HA 3.650 . 5.500 4.238 4.172 4.363 . 0 0 "[ . 1 . 2]" 1
302 1 128 THR MG 1 129 ILE HA 3.005 . 4.210 3.434 3.252 3.688 . 0 0 "[ . 1 . 2]" 1
303 1 16 ILE HB 1 17 ILE MD 2.980 . 4.160 4.826 4.689 4.994 0.834 17 20 [***********-****+***] 1
304 1 30 ASP HA 1 31 SER QB 3.210 . 4.620 4.374 4.008 4.850 0.230 1 0 "[ . 1 . 2]" 1
305 1 114 LYS QD 1 115 SER HA 3.235 . 4.670 5.071 3.868 5.649 0.979 8 10 "[* * .**+ 1 * *-* *2]" 1
306 1 76 GLY QA 1 78 VAL H 3.650 . 5.500 3.695 3.455 4.064 . 0 0 "[ . 1 . 2]" 1
307 1 103 ILE MG 1 104 SER QB 3.400 . 5.000 4.677 4.175 5.110 0.110 4 0 "[ . 1 . 2]" 1
308 1 103 ILE MG 1 105 PHE H 3.350 . 4.900 5.168 5.059 5.301 0.401 16 0 "[ . 1 . 2]" 1
309 1 72 ILE HA 1 72 ILE MG 2.855 . 3.910 2.335 2.299 2.382 . 0 0 "[ . 1 . 2]" 1
310 1 70 LEU H 1 70 LEU QD 2.960 . 4.120 3.045 2.400 3.838 . 0 0 "[ . 1 . 2]" 1
311 1 82 SER HA 1 82 SER QB 2.210 . 2.620 2.316 2.185 2.393 . 0 0 "[ . 1 . 2]" 1
312 1 93 VAL QG 1 95 ASN H 3.535 . 4.830 4.008 3.201 4.978 0.148 16 0 "[ . 1 . 2]" 1
313 1 93 VAL HA 1 93 VAL QG 2.690 . 3.090 2.217 2.123 2.320 . 0 0 "[ . 1 . 2]" 1
314 1 62 ALA MB 1 64 GLN H 3.465 . 5.130 4.642 4.475 4.790 . 0 0 "[ . 1 . 2]" 1
315 1 74 ASN QB 1 76 GLY H 3.270 . 4.130 2.313 2.050 3.181 . 0 0 "[ . 1 . 2]" 1
316 1 105 PHE HA 1 105 PHE QE 3.265 . 4.730 4.380 4.194 4.480 . 0 0 "[ . 1 . 2]" 1
317 1 137 LYS HA 1 137 LYS QE 3.490 . 5.180 4.114 1.802 5.555 0.375 13 0 "[ . 1 . 2]" 1
318 1 143 LYS QG 1 144 GLN H 3.465 . 5.130 4.257 3.619 4.757 . 0 0 "[ . 1 . 2]" 1
319 1 143 LYS H 1 143 LYS QG 3.230 . 4.660 3.055 2.046 3.999 . 0 0 "[ . 1 . 2]" 1
320 1 143 LYS QD 1 144 GLN QE 3.645 . 5.490 4.111 2.385 5.143 . 0 0 "[ . 1 . 2]" 1
321 1 143 LYS H 1 143 LYS QD 3.165 . 4.530 4.106 3.199 4.698 0.168 11 0 "[ . 1 . 2]" 1
322 1 143 LYS QB 1 143 LYS QE 3.150 . 4.500 3.042 2.020 3.826 . 0 0 "[ . 1 . 2]" 1
323 1 143 LYS QB 1 143 LYS QD 2.770 . 3.740 2.166 1.919 2.627 . 0 0 "[ . 1 . 2]" 1
324 1 21 LEU QB 1 22 ARG H 3.650 . 5.500 2.609 2.347 2.873 . 0 0 "[ . 1 . 2]" 1
325 1 60 GLU H 1 60 GLU QG . . 3.130 3.092 1.746 3.935 0.805 3 11 "[ *+ .* ***** -.* * 2]" 1
326 1 60 GLU QG 1 61 THR H 3.365 . 4.930 3.861 1.771 4.496 0.029 5 0 "[ . 1 . 2]" 1
327 1 56 GLN H 1 56 GLN QG 3.650 . 3.950 2.882 2.021 3.949 . 0 0 "[ . 1 . 2]" 1
328 1 7 ASP QB 1 8 ASP H 3.045 . 4.290 3.923 3.798 4.032 . 0 0 "[ . 1 . 2]" 1
329 1 47 THR MG 1 48 LEU H 2.910 . 4.020 3.434 2.989 3.828 . 0 0 "[ . 1 . 2]" 1
330 1 154 PHE HA 1 154 PHE QD 3.200 . 4.600 2.663 2.280 2.936 . 0 0 "[ . 1 . 2]" 1
331 1 70 LEU HA 1 70 LEU QD 2.770 . 3.740 2.418 1.799 3.439 0.001 9 0 "[ . 1 . 2]" 1
332 1 70 LEU QD 1 71 ASP H 3.220 . 4.640 4.250 3.648 4.575 . 0 0 "[ . 1 . 2]" 1
333 1 73 LYS H 1 73 LYS QE 3.315 . 4.830 4.150 3.150 5.656 0.826 3 1 "[ + . 1 . 2]" 1
334 1 73 LYS QE 1 74 ASN H 3.275 . 4.750 4.722 3.559 5.663 0.913 6 3 "[ -.+ 1 * 2]" 1
335 1 110 ALA H 1 110 ALA MB 2.720 . 3.640 2.239 2.229 2.249 . 0 0 "[ . 1 . 2]" 1
336 1 127 GLU QG 1 128 THR H 3.370 . 4.100 3.806 3.124 4.388 0.288 16 0 "[ . 1 . 2]" 1
337 1 133 LEU H 1 133 LEU HG 3.200 . 4.600 3.770 2.932 4.676 0.076 9 0 "[ . 1 . 2]" 1
338 1 154 PHE HA 1 154 PHE QE 3.645 . 5.490 4.394 4.186 4.616 . 0 0 "[ . 1 . 2]" 1
339 1 10 TYR HA 1 10 TYR QE 3.400 . 5.000 4.370 4.182 4.655 . 0 0 "[ . 1 . 2]" 1
340 1 89 PHE H 1 89 PHE QD 3.345 . 4.890 3.201 2.606 3.531 . 0 0 "[ . 1 . 2]" 1
341 1 94 THR MG 1 96 TRP H 3.615 . 5.430 5.240 4.592 6.499 1.069 13 1 "[ . 1 + . 2]" 1
342 1 22 ARG HA 1 22 ARG QG 3.010 . 4.220 2.482 2.036 2.889 . 0 0 "[ . 1 . 2]" 1
343 1 10 TYR HA 1 10 TYR QD 3.210 . 4.620 2.265 1.855 2.655 . 0 0 "[ . 1 . 2]" 1
344 1 21 LEU HG 1 22 ARG H 3.650 . 5.500 4.862 4.450 5.142 . 0 0 "[ . 1 . 2]" 1
345 1 24 GLN QB 1 25 ALA H 3.370 . 4.940 2.694 2.346 2.970 . 0 0 "[ . 1 . 2]" 1
346 1 111 LYS HA 1 111 LYS QE 3.650 . 5.500 4.422 3.802 5.013 . 0 0 "[ . 1 . 2]" 1
347 1 44 ALA H 1 44 ALA MB 2.475 . 3.150 2.240 2.224 2.261 . 0 0 "[ . 1 . 2]" 1
348 1 73 LYS H 1 73 LYS QD 3.650 . 5.500 3.664 1.913 5.204 . 0 0 "[ . 1 . 2]" 1
349 1 133 LEU HG 1 134 VAL H 3.575 . 5.350 4.842 4.295 5.099 . 0 0 "[ . 1 . 2]" 1
350 1 12 GLN QG 1 13 SER H 3.650 . 5.040 4.018 3.231 4.338 . 0 0 "[ . 1 . 2]" 1
351 1 99 ILE QG 1 100 VAL H 3.650 . 5.500 4.060 3.645 4.495 . 0 0 "[ . 1 . 2]" 1
352 1 3 LEU HA 1 3 LEU QD 3.115 . 4.430 2.418 1.781 3.452 0.019 6 0 "[ . 1 . 2]" 1
353 1 7 ASP H 1 7 ASP QB 2.720 . 3.560 2.546 2.214 2.793 . 0 0 "[ . 1 . 2]" 1
354 1 9 LEU HA 1 9 LEU QD 2.450 . 3.100 1.836 1.762 1.953 0.038 2 0 "[ . 1 . 2]" 1
355 1 9 LEU QB 1 9 LEU QD 2.265 . 2.730 2.058 2.048 2.078 . 0 0 "[ . 1 . 2]" 1
356 1 9 LEU QD 1 10 TYR H 2.875 . 3.950 3.386 3.139 3.712 . 0 0 "[ . 1 . 2]" 1
357 1 14 LEU H 1 14 LEU QD 2.675 . 3.550 3.165 2.981 3.289 . 0 0 "[ . 1 . 2]" 1
358 1 14 LEU QB 1 14 LEU QD 2.270 . 2.740 1.918 1.902 1.950 . 0 0 "[ . 1 . 2]" 1
359 1 15 GLU HA 1 15 GLU QG 2.715 . 3.630 2.824 2.186 3.366 . 0 0 "[ . 1 . 2]" 1
360 1 15 GLU QG 1 16 ILE H 3.445 . 5.090 3.508 1.787 4.314 0.013 6 0 "[ . 1 . 2]" 1
361 1 15 GLU QG 1 16 ILE MG 3.490 . 5.180 5.442 4.461 6.399 1.219 15 7 "[ *. *-1** +* 2]" 1
362 1 19 ARG H 1 19 ARG QB 2.740 . 3.680 2.267 2.054 2.606 . 0 0 "[ . 1 . 2]" 1
363 1 20 TYR QD 1 21 LEU QD 3.265 . 4.730 2.296 1.799 2.705 0.001 1 0 "[ . 1 . 2]" 1
364 1 20 TYR QE 1 21 LEU QD 2.945 . 4.090 3.453 2.620 4.026 . 0 0 "[ . 1 . 2]" 1
365 1 21 LEU HA 1 21 LEU QD 2.500 . 3.200 1.952 1.793 2.377 0.007 9 0 "[ . 1 . 2]" 1
366 1 21 LEU QB 1 21 LEU QD 2.260 . 2.720 1.999 1.918 2.038 . 0 0 "[ . 1 . 2]" 1
367 1 24 GLN H 1 24 GLN QG 3.065 . 4.330 3.179 2.295 4.065 . 0 0 "[ . 1 . 2]" 1
368 1 24 GLN HA 1 24 GLN QG 2.695 . 3.590 2.624 2.205 3.051 . 0 0 "[ . 1 . 2]" 1
369 1 29 LYS QG 1 30 ASP H 3.570 . 5.340 3.986 2.118 4.810 . 0 0 "[ . 1 . 2]" 1
370 1 32 LYS QB 1 33 PRO QD 2.535 . 3.270 2.709 2.123 3.477 0.207 17 0 "[ . 1 . 2]" 1
371 1 33 PRO QB 1 34 LEU H 2.960 . 4.120 3.470 2.764 3.878 . 0 0 "[ . 1 . 2]" 1
372 1 34 LEU H 1 34 LEU QD 2.825 . 3.850 2.704 1.883 3.659 . 0 0 "[ . 1 . 2]" 1
373 1 34 LEU HA 1 34 LEU QD 2.670 . 3.540 2.563 1.787 3.064 0.013 9 0 "[ . 1 . 2]" 1
374 1 34 LEU QB 1 34 LEU QD 2.160 . 2.520 1.893 1.841 2.071 . 0 0 "[ . 1 . 2]" 1
375 1 45 LEU HA 1 45 LEU QD 2.520 . 3.240 2.121 1.796 3.019 0.004 20 0 "[ . 1 . 2]" 1
376 1 45 LEU QB 1 45 LEU QD 2.210 . 2.620 1.936 1.870 2.059 . 0 0 "[ . 1 . 2]" 1
377 1 55 VAL H 1 55 VAL QG 2.495 . 3.190 2.023 1.787 2.253 0.013 12 0 "[ . 1 . 2]" 1
378 1 55 VAL HA 1 55 VAL QG 2.415 . 3.030 2.143 2.099 2.282 . 0 0 "[ . 1 . 2]" 1
379 1 58 ASN QB 1 59 HIS H 2.985 . 4.140 2.654 2.324 3.729 . 0 0 "[ . 1 . 2]" 1
380 1 69 LYS H 1 70 LEU QD 3.185 . 4.570 4.443 3.872 4.932 0.362 19 0 "[ . 1 . 2]" 1
381 1 69 LYS QE 1 69 LYS QG 2.715 . 3.630 2.167 2.108 2.423 . 0 0 "[ . 1 . 2]" 1
382 1 69 LYS QG 1 70 LEU H 3.085 . 4.370 4.189 3.660 4.685 0.315 8 0 "[ . 1 . 2]" 1
383 1 71 ASP H 1 71 ASP QB 2.670 . 3.540 2.253 2.069 2.884 . 0 0 "[ . 1 . 2]" 1
384 1 72 ILE QG 1 73 LYS H 3.485 . 5.170 4.769 4.663 4.841 . 0 0 "[ . 1 . 2]" 1
385 1 73 LYS HA 1 73 LYS QD 3.270 . 4.740 3.699 2.744 4.546 . 0 0 "[ . 1 . 2]" 1
386 1 73 LYS QB 1 73 LYS QD 2.475 . 3.150 2.215 1.991 2.664 . 0 0 "[ . 1 . 2]" 1
387 1 73 LYS QD 1 74 ASN QD 3.330 . 4.860 5.137 3.208 5.922 1.062 14 7 "[* ** 1 * +. * -]" 1
388 1 75 GLU QG 1 76 GLY H 3.365 . 4.930 4.436 3.251 4.770 . 0 0 "[ . 1 . 2]" 1
389 1 76 GLY QA 1 78 VAL QG 2.970 . 4.140 4.235 2.921 4.638 0.498 18 0 "[ . 1 . 2]" 1
390 1 78 VAL H 1 78 VAL QG 2.515 . 3.230 2.003 1.790 2.294 0.010 8 0 "[ . 1 . 2]" 1
391 1 84 VAL H 1 84 VAL QG 2.430 . 3.060 2.141 1.957 2.395 . 0 0 "[ . 1 . 2]" 1
392 1 84 VAL HA 1 84 VAL QG 2.410 . 3.020 2.135 2.126 2.141 . 0 0 "[ . 1 . 2]" 1
393 1 85 MET HA 1 85 MET QG 2.720 . 3.640 2.496 2.344 2.865 . 0 0 "[ . 1 . 2]" 1
394 1 85 MET ME 1 85 MET QG 2.485 . 3.170 2.397 2.197 2.505 . 0 0 "[ . 1 . 2]" 1
395 1 86 VAL H 1 86 VAL QG 2.415 . 3.030 2.087 1.869 2.404 . 0 0 "[ . 1 . 2]" 1
396 1 86 VAL HA 1 86 VAL QG 2.410 . 3.020 2.185 2.119 2.315 . 0 0 "[ . 1 . 2]" 1
397 1 86 VAL QG 1 87 HIS H 2.705 . 3.610 2.979 2.305 3.348 . 0 0 "[ . 1 . 2]" 1
398 1 86 VAL QG 1 87 HIS QB 3.165 . 4.530 4.153 3.249 4.569 0.039 18 0 "[ . 1 . 2]" 1
399 1 88 VAL H 1 88 VAL QG 2.640 . 3.480 2.172 1.942 2.356 . 0 0 "[ . 1 . 2]" 1
400 1 88 VAL QG 1 89 PHE HA 3.360 . 4.920 3.418 3.251 3.625 . 0 0 "[ . 1 . 2]" 1
401 1 88 VAL QG 1 89 PHE QB 3.110 . 4.420 4.234 4.033 4.487 0.067 19 0 "[ . 1 . 2]" 1
402 1 88 VAL QG 1 89 PHE QD 3.070 . 4.340 3.488 2.437 3.945 . 0 0 "[ . 1 . 2]" 1
403 1 92 GLY QA 1 93 VAL QG 3.085 . 4.370 3.593 3.273 4.053 . 0 0 "[ . 1 . 2]" 1
404 1 93 VAL QG 1 94 THR H 2.680 . 3.560 3.122 2.190 3.662 0.102 17 0 "[ . 1 . 2]" 1
405 1 98 ARG HA 1 98 ARG QD 3.350 . 4.900 3.815 2.351 4.066 . 0 0 "[ . 1 . 2]" 1
406 1 98 ARG QB 1 98 ARG QD 2.685 . 3.570 2.118 1.931 2.276 . 0 0 "[ . 1 . 2]" 1
407 1 99 ILE H 1 99 ILE QG 3.175 . 4.550 2.291 1.897 3.369 . 0 0 "[ . 1 . 2]" 1
408 1 99 ILE H 1 100 VAL QG 3.280 . 4.760 3.696 3.516 4.023 . 0 0 "[ . 1 . 2]" 1
409 1 100 VAL HA 1 100 VAL QG 2.405 . 3.010 2.257 2.123 2.461 . 0 0 "[ . 1 . 2]" 1
410 1 100 VAL QG 1 101 THR H 2.740 . 3.680 2.541 1.980 3.332 . 0 0 "[ . 1 . 2]" 1
411 1 102 LEU H 1 102 LEU QD 2.695 . 3.590 2.888 2.303 3.578 . 0 0 "[ . 1 . 2]" 1
412 1 102 LEU HA 1 102 LEU QD 2.550 . 3.300 2.035 1.860 2.174 . 0 0 "[ . 1 . 2]" 1
413 1 102 LEU QB 1 102 LEU QD 2.290 . 2.780 1.951 1.919 1.979 . 0 0 "[ . 1 . 2]" 1
414 1 103 ILE H 1 103 ILE QG 2.810 . 3.820 2.038 1.888 2.336 . 0 0 "[ . 1 . 2]" 1
415 1 103 ILE QG 1 104 SER H 3.570 . 5.340 3.935 3.802 4.128 . 0 0 "[ . 1 . 2]" 1
416 1 109 VAL H 1 109 VAL QG 2.480 . 3.160 2.177 2.087 2.334 . 0 0 "[ . 1 . 2]" 1
417 1 109 VAL HA 1 109 VAL QG 2.420 . 3.040 2.136 2.113 2.156 . 0 0 "[ . 1 . 2]" 1
418 1 109 VAL QG 1 110 ALA MB 3.280 . 4.760 3.856 3.676 4.026 . 0 0 "[ . 1 . 2]" 1
419 1 111 LYS HA 1 111 LYS QG 2.730 . 3.660 2.491 2.318 3.354 . 0 0 "[ . 1 . 2]" 1
420 1 111 LYS QB 1 112 HIS QB 3.570 . 5.340 3.893 3.713 4.859 . 0 0 "[ . 1 . 2]" 1
421 1 112 HIS HD2 1 113 LEU QD 3.515 . 5.230 3.783 2.791 6.041 0.811 18 1 "[ . 1 . + 2]" 1
422 1 113 LEU H 1 113 LEU QD 2.915 . 4.030 3.130 2.811 3.334 . 0 0 "[ . 1 . 2]" 1
423 1 113 LEU QD 1 114 LYS H 2.790 . 3.780 4.057 3.879 4.175 0.395 13 0 "[ . 1 . 2]" 1
424 1 114 LYS H 1 116 VAL QG 3.560 . 5.320 4.662 4.077 5.087 . 0 0 "[ . 1 . 2]" 1
425 1 114 LYS QG 1 115 SER H 3.200 . 4.600 3.897 3.375 4.677 0.077 9 0 "[ . 1 . 2]" 1
426 1 115 SER QB 1 116 VAL QG 2.945 . 4.090 2.903 2.638 3.836 . 0 0 "[ . 1 . 2]" 1
427 1 116 VAL H 1 116 VAL QG 2.480 . 3.160 1.990 1.821 2.138 . 0 0 "[ . 1 . 2]" 1
428 1 116 VAL QG 1 118 GLN H 2.920 . 4.040 3.384 2.488 4.361 0.321 2 0 "[ . 1 . 2]" 1
429 1 116 VAL QG 1 118 GLN QG 2.635 . 3.470 2.438 1.775 3.270 0.025 19 0 "[ . 1 . 2]" 1
430 1 116 VAL QG 1 118 GLN QE 3.190 . 4.580 2.849 1.788 4.052 0.012 13 0 "[ . 1 . 2]" 1
431 1 122 ILE H 1 122 ILE QG 3.160 . 4.520 2.155 2.009 2.612 . 0 0 "[ . 1 . 2]" 1
432 1 122 ILE QG 1 123 GLU H 3.105 . 4.410 3.977 3.770 4.226 . 0 0 "[ . 1 . 2]" 1
433 1 123 GLU H 1 124 PRO QG 3.575 . 5.350 4.430 4.093 4.553 . 0 0 "[ . 1 . 2]" 1
434 1 123 GLU HA 1 124 PRO QD 2.685 . 3.570 3.583 3.574 3.598 0.028 19 0 "[ . 1 . 2]" 1
435 1 124 PRO QG 1 125 LEU H 3.250 . 4.700 3.576 2.465 3.828 . 0 0 "[ . 1 . 2]" 1
436 1 125 LEU H 1 125 LEU QD 2.925 . 4.050 2.960 2.707 3.724 . 0 0 "[ . 1 . 2]" 1
437 1 125 LEU HA 1 125 LEU QD 2.655 . 3.510 1.847 1.796 2.073 0.004 7 0 "[ . 1 . 2]" 1
438 1 125 LEU QD 1 126 ALA H 3.000 . 4.200 3.900 3.661 4.081 . 0 0 "[ . 1 . 2]" 1
439 1 129 ILE HA 1 129 ILE QG 2.685 . 3.570 2.397 2.356 2.499 . 0 0 "[ . 1 . 2]" 1
440 1 129 ILE QG 1 130 THR H 3.570 . 5.340 4.039 3.878 4.135 . 0 0 "[ . 1 . 2]" 1
441 1 132 VAL H 1 132 VAL QG 2.375 . 2.950 2.090 1.962 2.231 . 0 0 "[ . 1 . 2]" 1
442 1 132 VAL QG 1 133 LEU H 2.660 . 3.520 3.171 2.364 3.372 . 0 0 "[ . 1 . 2]" 1
443 1 133 LEU H 1 133 LEU QB 2.640 . 3.480 2.101 2.016 2.212 . 0 0 "[ . 1 . 2]" 1
444 1 133 LEU H 1 133 LEU QD 2.590 . 3.380 3.581 3.378 3.709 0.329 3 0 "[ . 1 . 2]" 1
445 1 133 LEU QB 1 133 LEU QD 2.130 . 2.460 1.911 1.846 1.994 . 0 0 "[ . 1 . 2]" 1
446 1 133 LEU QD 1 134 VAL H 3.005 . 4.210 3.885 3.401 4.134 . 0 0 "[ . 1 . 2]" 1
447 1 134 VAL H 1 134 VAL QG 2.505 . 3.210 2.396 2.153 2.562 . 0 0 "[ . 1 . 2]" 1
448 1 138 ARG QB 1 138 ARG QD 2.395 . 2.990 2.180 1.922 2.377 . 0 0 "[ . 1 . 2]" 1
449 1 138 ARG QB 1 139 ASP H 3.100 . 4.400 2.844 2.274 3.588 . 0 0 "[ . 1 . 2]" 1
450 1 138 ARG QB 1 139 ASP QB 3.330 . 4.860 4.376 3.796 5.089 0.229 15 0 "[ . 1 . 2]" 1
451 1 141 LEU H 1 141 LEU QD 2.705 . 3.610 2.520 2.021 2.911 . 0 0 "[ . 1 . 2]" 1
452 1 141 LEU HA 1 141 LEU QD 2.565 . 3.330 2.582 1.789 3.448 0.118 20 0 "[ . 1 . 2]" 1
453 1 141 LEU QB 1 141 LEU QD 2.240 . 2.680 1.921 1.850 2.036 . 0 0 "[ . 1 . 2]" 1
454 1 142 VAL HA 1 142 VAL QG 2.360 . 2.920 2.151 2.123 2.316 . 0 0 "[ . 1 . 2]" 1
455 1 142 VAL QG 1 143 LYS H 2.535 . 3.270 3.030 2.097 3.254 . 0 0 "[ . 1 . 2]" 1
456 1 143 LYS QE 1 144 GLN QE 3.345 . 4.890 4.860 2.489 5.943 1.053 16 8 "[ **- * 1 * *+ *]" 1
457 1 145 ARG QB 1 145 ARG QD 2.690 . 3.580 2.273 2.085 2.431 . 0 0 "[ . 1 . 2]" 1
458 1 150 PHE QD 1 151 VAL QG 2.850 . 3.900 2.478 2.074 2.959 . 0 0 "[ . 1 . 2]" 1
459 1 151 VAL H 1 151 VAL QG 2.425 . 3.050 1.961 1.803 2.218 . 0 0 "[ . 1 . 2]" 1
460 1 151 VAL QG 1 152 GLU H 2.565 . 3.330 2.733 2.148 3.308 . 0 0 "[ . 1 . 2]" 1
461 1 152 GLU H 1 152 GLU QG 2.910 . 4.020 3.523 2.031 4.052 0.032 17 0 "[ . 1 . 2]" 1
462 1 155 HIS H 1 155 HIS QB 2.745 . 3.260 2.591 2.253 3.373 0.113 7 0 "[ . 1 . 2]" 1
463 1 155 HIS HA 1 156 VAL QG 2.960 . 4.120 3.744 3.336 4.143 0.023 3 0 "[ . 1 . 2]" 1
464 1 156 VAL QG 1 157 GLN QG 3.485 . 5.170 3.648 1.963 5.212 0.042 11 0 "[ . 1 . 2]" 1
465 1 156 VAL QG 1 157 GLN QE 2.615 . 3.430 3.734 2.636 4.216 0.786 13 9 "[- . *1**+*.*** 2]" 1
466 1 69 LYS H 1 70 LEU H 2.210 . 2.620 2.533 2.136 2.744 0.124 16 0 "[ . 1 . 2]" 1
467 1 70 LEU H 1 70 LEU QB 2.780 . 3.150 2.489 2.237 3.233 0.083 7 0 "[ . 1 . 2]" 1
468 1 154 PHE QD 1 155 HIS H 3.310 . 4.820 4.678 4.152 4.978 0.158 4 0 "[ . 1 . 2]" 1
469 1 98 ARG H 1 99 ILE H 2.745 . 3.690 2.507 2.405 2.626 . 0 0 "[ . 1 . 2]" 1
470 1 99 ILE H 1 99 ILE HB 2.785 . 3.770 2.460 2.229 2.673 . 0 0 "[ . 1 . 2]" 1
471 1 14 LEU H 1 15 GLU H 2.785 . 3.770 2.916 2.788 3.023 . 0 0 "[ . 1 . 2]" 1
472 1 99 ILE H 1 99 ILE MG 2.815 . 3.830 3.748 3.636 3.778 . 0 0 "[ . 1 . 2]" 1
473 1 18 SER H 1 19 ARG H 2.870 . 3.940 2.740 2.611 2.850 . 0 0 "[ . 1 . 2]" 1
474 1 19 ARG H 1 20 TYR H 2.835 . 3.870 2.762 2.593 2.910 . 0 0 "[ . 1 . 2]" 1
475 1 151 VAL MG2 1 152 GLU H 2.970 . 4.140 3.063 2.158 3.928 . 0 0 "[ . 1 . 2]" 1
476 1 152 GLU H 1 152 GLU QB 2.555 . 3.310 2.224 2.055 2.551 . 0 0 "[ . 1 . 2]" 1
477 1 152 GLU H 1 153 PHE H 2.845 . 3.890 2.757 2.548 2.890 . 0 0 "[ . 1 . 2]" 1
478 1 19 ARG H 1 19 ARG QD 3.270 . 3.970 4.248 3.189 4.847 0.877 14 8 "[ ** 1* *+- * *2]" 1
479 1 85 MET H 1 85 MET QG 2.985 . 3.520 2.185 1.819 3.997 0.477 5 0 "[ . 1 . 2]" 1
480 1 84 VAL MG2 1 85 MET H 3.650 . 5.500 3.825 3.675 3.898 . 0 0 "[ . 1 . 2]" 1
481 1 87 HIS H 1 87 HIS HD2 3.000 . 4.200 4.248 3.523 4.939 0.739 14 5 "[ *. 1* +.* -]" 1
482 1 87 HIS H 1 87 HIS QB 2.775 . 3.190 2.203 2.032 2.315 . 0 0 "[ . 1 . 2]" 1
483 1 86 VAL MG2 1 87 HIS H 3.405 . 5.010 3.464 2.320 4.102 . 0 0 "[ . 1 . 2]" 1
484 1 50 ARG H 1 50 ARG QD 3.620 . 5.440 3.925 2.503 4.888 . 0 0 "[ . 1 . 2]" 1
485 1 50 ARG H 1 50 ARG QB 2.615 . 3.430 2.254 2.047 2.506 . 0 0 "[ . 1 . 2]" 1
486 1 88 VAL H 1 89 PHE H 2.775 . 3.750 2.663 2.403 2.835 . 0 0 "[ . 1 . 2]" 1
487 1 88 VAL HB 1 89 PHE H 3.345 . 4.890 2.681 2.481 2.979 . 0 0 "[ . 1 . 2]" 1
488 1 69 LYS H 1 69 LYS QE 3.650 . 5.500 4.909 3.897 5.969 0.469 11 0 "[ . 1 . 2]" 1
489 1 69 LYS H 1 69 LYS QG 3.190 . 3.730 2.861 1.950 4.140 0.410 11 0 "[ . 1 . 2]" 1
490 1 87 HIS H 1 88 VAL H 2.910 . 4.020 2.711 2.532 2.843 . 0 0 "[ . 1 . 2]" 1
491 1 87 HIS HD2 1 88 VAL H 3.650 . 5.500 5.753 5.273 6.222 0.722 11 4 "[ -. 1+ .* *]" 1
492 1 87 HIS QB 1 88 VAL H 3.100 . 3.790 2.738 2.600 2.831 . 0 0 "[ . 1 . 2]" 1
493 1 151 VAL H 1 151 VAL HB 2.800 . 3.800 3.098 2.425 3.661 . 0 0 "[ . 1 . 2]" 1
494 1 67 LEU H 1 68 ARG H 2.770 . 3.740 2.767 2.604 2.909 . 0 0 "[ . 1 . 2]" 1
495 1 68 ARG H 1 68 ARG QB 2.360 . 2.920 2.303 2.109 2.579 . 0 0 "[ . 1 . 2]" 1
496 1 77 ASP H 1 78 VAL H 2.955 . 4.110 2.578 2.392 2.798 . 0 0 "[ . 1 . 2]" 1
497 1 78 VAL H 1 78 VAL HB 2.790 . 3.780 2.732 2.368 3.678 . 0 0 "[ . 1 . 2]" 1
498 1 49 ARG H 1 50 ARG H 2.865 . 3.930 2.723 2.604 2.915 . 0 0 "[ . 1 . 2]" 1
499 1 49 ARG H 1 49 ARG QB 2.705 . 3.610 2.231 2.050 2.568 . 0 0 "[ . 1 . 2]" 1
500 1 48 LEU QB 1 49 ARG H 3.265 . 4.050 2.511 2.248 2.734 . 0 0 "[ . 1 . 2]" 1
501 1 17 ILE H 1 18 SER H 2.970 . 4.140 2.689 2.583 2.854 . 0 0 "[ . 1 . 2]" 1
502 1 17 ILE H 1 17 ILE HB 2.685 . 3.570 2.408 2.260 2.526 . 0 0 "[ . 1 . 2]" 1
503 1 118 GLN H 1 119 GLU H 2.695 . 3.590 3.128 2.848 3.333 . 0 0 "[ . 1 . 2]" 1
504 1 117 ASN QB 1 118 GLN H 3.520 . 4.400 3.905 3.839 3.995 . 0 0 "[ . 1 . 2]" 1
505 1 118 GLN H 1 118 GLN QB 2.895 . 3.500 2.435 2.229 2.575 . 0 0 "[ . 1 . 2]" 1
506 1 103 ILE H 1 104 SER H 2.835 . 3.870 2.601 2.506 2.713 . 0 0 "[ . 1 . 2]" 1
507 1 102 LEU H 1 103 ILE H 2.920 . 4.040 2.765 2.683 2.879 . 0 0 "[ . 1 . 2]" 1
508 1 103 ILE H 1 103 ILE HB 2.775 . 3.750 2.604 2.473 2.740 . 0 0 "[ . 1 . 2]" 1
509 1 103 ILE H 1 103 ILE MD 2.700 . 3.600 3.508 3.432 3.695 0.095 10 0 "[ . 1 . 2]" 1
510 1 103 ILE H 1 103 ILE MG 2.920 . 4.040 3.782 3.770 3.797 . 0 0 "[ . 1 . 2]" 1
511 1 55 VAL H 1 56 GLN H 2.815 . 3.830 2.649 2.565 2.723 . 0 0 "[ . 1 . 2]" 1
512 1 56 GLN H 1 56 GLN QB 2.740 . 3.220 2.251 2.048 2.523 . 0 0 "[ . 1 . 2]" 1
513 1 20 TYR H 1 21 LEU H 2.720 . 3.640 2.801 2.636 2.958 . 0 0 "[ . 1 . 2]" 1
514 1 20 TYR QD 1 21 LEU H 3.275 . 4.750 3.642 3.219 4.098 . 0 0 "[ . 1 . 2]" 1
515 1 20 TYR QB 1 21 LEU H 3.180 . 3.990 2.469 2.302 2.730 . 0 0 "[ . 1 . 2]" 1
516 1 11 ARG H 1 12 GLN H 2.815 . 3.830 2.724 2.526 2.849 . 0 0 "[ . 1 . 2]" 1
517 1 10 TYR QD 1 11 ARG H 2.955 . 4.110 4.029 3.497 4.384 0.274 3 0 "[ . 1 . 2]" 1
518 1 11 ARG H 1 11 ARG QD 2.795 . 3.790 3.174 1.876 4.362 0.572 7 2 "[ . + - . 2]" 1
519 1 11 ARG H 1 11 ARG QB 2.585 . 3.370 2.282 2.145 2.627 . 0 0 "[ . 1 . 2]" 1
520 1 46 GLU H 1 46 GLU QB 2.675 . 2.960 2.233 2.070 2.424 . 0 0 "[ . 1 . 2]" 1
521 1 47 THR H 1 47 THR HB 2.805 . 3.810 2.616 2.321 2.791 . 0 0 "[ . 1 . 2]" 1
522 1 141 LEU H 1 141 LEU HG 3.055 . 4.310 3.554 1.763 4.449 0.139 18 0 "[ . 1 . 2]" 1
523 1 142 VAL H 1 142 VAL HB 2.630 . 3.460 2.664 2.374 3.680 0.220 5 0 "[ . 1 . 2]" 1
524 1 43 ARG H 1 43 ARG QD 3.155 . 4.510 4.001 2.856 4.481 . 0 0 "[ . 1 . 2]" 1
525 1 12 GLN H 1 13 SER HG 3.275 . 4.750 4.042 3.821 4.341 . 0 0 "[ . 1 . 2]" 1
526 1 11 ARG QD 1 12 GLN H 3.290 . 4.780 4.699 4.193 5.329 0.549 7 1 "[ . + 1 . 2]" 1
527 1 12 GLN H 1 12 GLN QG 3.020 . 3.670 2.944 2.300 3.949 0.279 8 0 "[ . 1 . 2]" 1
528 1 12 GLN H 1 12 GLN QB 2.550 . 3.300 2.294 2.125 2.456 . 0 0 "[ . 1 . 2]" 1
529 1 11 ARG QB 1 12 GLN H 2.755 . 3.710 2.519 2.266 2.694 . 0 0 "[ . 1 . 2]" 1
530 1 72 ILE H 1 73 LYS H 3.490 . 5.180 4.386 4.158 4.516 . 0 0 "[ . 1 . 2]" 1
531 1 73 LYS H 1 73 LYS QB 2.945 . 4.090 2.800 2.438 3.228 . 0 0 "[ . 1 . 2]" 1
532 1 73 LYS H 1 73 LYS QG 3.200 . 4.600 3.023 1.847 4.238 . 0 0 "[ . 1 . 2]" 1
533 1 61 THR H 1 62 ALA H 2.605 . 3.410 2.776 2.692 2.996 . 0 0 "[ . 1 . 2]" 1
534 1 62 ALA H 1 62 ALA MB 2.435 . 3.070 2.238 2.180 2.272 . 0 0 "[ . 1 . 2]" 1
535 1 44 ALA H 1 45 LEU H 2.810 . 3.820 2.685 2.546 2.824 . 0 0 "[ . 1 . 2]" 1
536 1 43 ARG H 1 44 ALA H 2.760 . 3.720 2.605 2.482 2.748 . 0 0 "[ . 1 . 2]" 1
537 1 147 TRP H 1 147 TRP HE1 3.650 . 5.500 4.656 4.344 5.271 . 0 0 "[ . 1 . 2]" 1
538 1 147 TRP H 1 147 TRP HD1 2.880 . 3.960 2.876 2.488 3.529 . 0 0 "[ . 1 . 2]" 1
539 1 147 TRP H 1 147 TRP HE3 3.520 . 5.240 4.775 4.359 5.172 . 0 0 "[ . 1 . 2]" 1
540 1 147 TRP H 1 147 TRP QB 2.975 . 3.620 2.423 2.286 2.503 . 0 0 "[ . 1 . 2]" 1
541 1 104 SER H 1 105 PHE H 2.410 . 3.020 2.766 2.680 2.852 . 0 0 "[ . 1 . 2]" 1
542 1 105 PHE H 1 105 PHE QB 2.850 . 3.900 2.254 2.210 2.293 . 0 0 "[ . 1 . 2]" 1
543 1 28 SER H 1 29 LYS H 3.340 . 4.880 4.331 3.971 4.569 . 0 0 "[ . 1 . 2]" 1
544 1 28 SER HA 1 29 LYS H 2.595 . 3.390 2.185 2.109 2.268 . 0 0 "[ . 1 . 2]" 1
545 1 29 LYS H 1 29 LYS QB 2.770 . 3.740 2.416 2.123 2.949 . 0 0 "[ . 1 . 2]" 1
546 1 7 ASP H 1 8 ASP H 2.890 . 3.980 4.034 3.666 4.292 0.312 12 0 "[ . 1 . 2]" 1
547 1 8 ASP H 1 8 ASP QB 2.465 . 3.130 2.399 2.066 2.771 . 0 0 "[ . 1 . 2]" 1
548 1 107 ALA H 1 107 ALA MB 2.560 . 3.320 2.238 2.226 2.246 . 0 0 "[ . 1 . 2]" 1
549 1 31 SER QB 1 32 LYS H 3.035 . 4.270 3.577 2.913 4.012 . 0 0 "[ . 1 . 2]" 1
550 1 30 ASP QB 1 32 LYS H 3.470 . 4.510 4.858 3.571 5.527 1.017 1 9 "[+* . * - ***.* *2]" 1
551 1 32 LYS H 1 32 LYS QB 2.775 . 3.750 2.527 2.211 3.148 . 0 0 "[ . 1 . 2]" 1
552 1 149 GLY H 1 150 PHE H 2.660 . 3.520 2.605 2.465 2.809 . 0 0 "[ . 1 . 2]" 1
553 1 150 PHE H 1 151 VAL MG2 3.575 . 5.350 4.182 3.842 4.322 . 0 0 "[ . 1 . 2]" 1
554 1 150 PHE H 1 151 VAL MG1 3.575 . 5.350 5.147 3.977 6.078 0.728 11 9 "[ * .**-**+ ** 2]" 1
555 1 30 ASP H 1 30 ASP QB 2.815 . 3.370 2.690 2.199 3.398 0.028 9 0 "[ . 1 . 2]" 1
556 1 29 LYS QB 1 30 ASP H 2.760 . 3.720 3.216 2.707 3.697 . 0 0 "[ . 1 . 2]" 1
557 1 93 VAL HA 1 94 THR H 2.570 . 3.340 2.294 2.126 2.582 . 0 0 "[ . 1 . 2]" 1
558 1 94 THR H 1 94 THR MG 3.300 . 4.800 3.864 3.207 4.026 . 0 0 "[ . 1 . 2]" 1
559 1 93 VAL H 1 94 THR H 3.260 . 4.720 4.496 4.075 4.644 . 0 0 "[ . 1 . 2]" 1
560 1 48 LEU H 1 49 ARG H 2.870 . 3.940 2.763 2.693 2.873 . 0 0 "[ . 1 . 2]" 1
561 1 47 THR H 1 48 LEU H 2.745 . 3.690 2.712 2.594 2.825 . 0 0 "[ . 1 . 2]" 1
562 1 47 THR HB 1 48 LEU H 3.070 . 4.340 2.460 2.215 2.682 . 0 0 "[ . 1 . 2]" 1
563 1 48 LEU H 1 48 LEU QD 3.080 . 3.680 3.614 3.509 3.691 0.011 7 0 "[ . 1 . 2]" 1
564 1 157 GLN H 1 157 GLN QB 2.575 . 3.350 2.685 2.137 3.356 0.006 7 0 "[ . 1 . 2]" 1
565 1 156 VAL HA 1 157 GLN H 2.595 . 3.390 2.791 2.125 3.589 0.199 1 0 "[ . 1 . 2]" 1
566 1 81 PHE H 1 81 PHE QB 2.740 . 3.680 2.129 2.054 2.222 . 0 0 "[ . 1 . 2]" 1
567 1 81 PHE H 1 81 PHE QD 2.930 . 4.060 3.842 3.546 4.106 0.046 16 0 "[ . 1 . 2]" 1
568 1 98 ARG H 1 98 ARG QD 3.175 . 3.920 3.599 2.822 4.079 0.159 3 0 "[ . 1 . 2]" 1
569 1 98 ARG H 1 98 ARG QB 2.770 . 3.740 2.411 2.177 2.855 . 0 0 "[ . 1 . 2]" 1
570 1 98 ARG H 1 99 ILE MD 3.650 . 5.500 4.824 3.527 5.375 . 0 0 "[ . 1 . 2]" 1
571 1 132 VAL HB 1 133 LEU H 2.940 . 4.080 2.851 2.573 4.160 0.080 5 0 "[ . 1 . 2]" 1
572 1 36 GLU H 1 37 ALA H 2.815 . 3.830 2.421 2.175 2.826 . 0 0 "[ . 1 . 2]" 1
573 1 37 ALA H 1 38 GLY H 2.895 . 3.990 2.634 2.356 3.050 . 0 0 "[ . 1 . 2]" 1
574 1 36 GLU QG 1 37 ALA H 3.175 . 4.550 3.765 2.496 4.556 0.006 1 0 "[ . 1 . 2]" 1
575 1 37 ALA H 1 37 ALA MB 2.500 . 3.200 2.271 2.218 2.353 . 0 0 "[ . 1 . 2]" 1
576 1 3 LEU H 1 3 LEU QB 2.600 . 3.400 2.372 2.067 2.951 . 0 0 "[ . 1 . 2]" 1
577 1 126 ALA H 1 126 ALA MB 2.520 . 3.240 2.236 2.226 2.249 . 0 0 "[ . 1 . 2]" 1
578 1 125 LEU H 1 126 ALA H 2.685 . 3.570 2.779 2.657 2.919 . 0 0 "[ . 1 . 2]" 1
579 1 93 VAL H 1 93 VAL HB 2.645 . 3.490 3.341 2.569 3.714 0.224 6 0 "[ . 1 . 2]" 1
580 1 92 GLY H 1 93 VAL H 2.435 . 3.070 2.900 2.449 3.173 0.103 17 0 "[ . 1 . 2]" 1
581 1 55 VAL H 1 55 VAL MG2 2.495 . 3.190 2.051 1.798 2.271 0.002 12 0 "[ . 1 . 2]" 1
582 1 53 ASP H 1 53 ASP QB 2.705 . 3.610 2.291 2.050 2.514 . 0 0 "[ . 1 . 2]" 1
583 1 13 SER HG 1 14 LEU H 3.125 . 4.450 2.799 1.980 3.076 . 0 0 "[ . 1 . 2]" 1
584 1 13 SER H 1 14 LEU H 3.035 . 4.270 2.810 2.648 2.997 . 0 0 "[ . 1 . 2]" 1
585 1 13 SER QB 1 14 LEU H 3.095 . 3.720 3.234 3.052 3.373 . 0 0 "[ . 1 . 2]" 1
586 1 14 LEU H 1 14 LEU QB 2.895 . 3.990 2.173 2.009 2.373 . 0 0 "[ . 1 . 2]" 1
587 1 100 VAL H 1 101 THR H 2.855 . 3.910 2.736 2.653 2.816 . 0 0 "[ . 1 . 2]" 1
588 1 109 VAL H 1 109 VAL MG1 2.830 . 3.860 3.763 3.731 3.783 . 0 0 "[ . 1 . 2]" 1
589 1 109 VAL H 1 109 VAL MG2 2.830 . 3.860 2.191 2.097 2.358 . 0 0 "[ . 1 . 2]" 1
590 1 108 PHE QD 1 109 VAL H 3.105 . 4.410 4.464 4.332 4.573 0.163 4 0 "[ . 1 . 2]" 1
591 1 109 VAL H 1 109 VAL HB 2.720 . 3.640 2.472 2.373 2.541 . 0 0 "[ . 1 . 2]" 1
592 1 71 ASP HA 1 72 ILE H 2.520 . 3.240 2.177 2.149 2.311 . 0 0 "[ . 1 . 2]" 1
593 1 71 ASP QB 1 72 ILE H 3.165 . 3.930 3.569 3.158 3.772 . 0 0 "[ . 1 . 2]" 1
594 1 72 ILE H 1 72 ILE MD 2.795 . 3.790 3.252 3.045 3.606 . 0 0 "[ . 1 . 2]" 1
595 1 63 PHE H 1 64 GLN H 2.795 . 3.790 2.796 2.646 2.869 . 0 0 "[ . 1 . 2]" 1
596 1 64 GLN H 1 64 GLN QE 3.595 . 5.390 4.497 3.125 5.100 . 0 0 "[ . 1 . 2]" 1
597 1 63 PHE QB 1 64 GLN H 2.840 . 3.120 2.588 2.514 2.727 . 0 0 "[ . 1 . 2]" 1
598 1 64 GLN H 1 64 GLN QB 2.870 . 3.420 2.393 2.257 2.549 . 0 0 "[ . 1 . 2]" 1
599 1 40 ALA H 1 40 ALA MB 2.385 . 2.970 2.251 2.237 2.264 . 0 0 "[ . 1 . 2]" 1
600 1 22 ARG H 1 23 GLU H 2.615 . 3.430 2.779 2.633 2.922 . 0 0 "[ . 1 . 2]" 1
601 1 153 PHE H 1 154 PHE H 2.800 . 3.800 2.642 2.397 2.922 . 0 0 "[ . 1 . 2]" 1
602 1 153 PHE H 1 153 PHE QD 3.095 . 4.390 4.167 4.088 4.202 . 0 0 "[ . 1 . 2]" 1
603 1 153 PHE H 1 153 PHE QB 2.975 . 4.150 2.244 2.210 2.273 . 0 0 "[ . 1 . 2]" 1
604 1 23 GLU H 1 24 GLN H 2.885 . 3.970 2.654 2.526 2.805 . 0 0 "[ . 1 . 2]" 1
605 1 24 GLN H 1 24 GLN QE 3.650 . 4.810 4.952 4.365 5.514 0.704 18 3 "[ . 1 - * + 2]" 1
606 1 24 GLN H 1 25 ALA H 2.865 . 3.930 2.646 2.436 2.759 . 0 0 "[ . 1 . 2]" 1
607 1 24 GLN H 1 24 GLN QB 2.720 . 3.640 2.266 2.076 2.437 . 0 0 "[ . 1 . 2]" 1
608 1 155 HIS HA 1 156 VAL H 2.590 . 3.380 2.520 2.136 3.577 0.197 20 0 "[ . 1 . 2]" 1
609 1 156 VAL H 1 156 VAL HB 2.805 . 3.810 3.176 2.597 3.775 . 0 0 "[ . 1 . 2]" 1
610 1 147 TRP H 1 148 ASP H 2.645 . 3.490 2.693 2.577 2.942 . 0 0 "[ . 1 . 2]" 1
611 1 148 ASP H 1 148 ASP QB 2.665 . 3.020 2.387 2.074 2.856 . 0 0 "[ . 1 . 2]" 1
612 1 121 PHE H 1 121 PHE QD 2.925 . 4.050 2.855 2.566 3.087 . 0 0 "[ . 1 . 2]" 1
613 1 121 PHE H 1 121 PHE QB 2.970 . 3.330 2.395 2.327 2.483 . 0 0 "[ . 1 . 2]" 1
614 1 70 LEU H 1 71 ASP H 3.000 . 4.200 3.413 3.058 3.898 . 0 0 "[ . 1 . 2]" 1
615 1 70 LEU HA 1 71 ASP H 2.580 . 3.360 2.547 2.292 2.627 . 0 0 "[ . 1 . 2]" 1
616 1 123 GLU H 1 124 PRO QD 2.895 . 3.390 2.490 2.243 2.601 . 0 0 "[ . 1 . 2]" 1
617 1 123 GLU H 1 123 GLU QB 2.650 . 3.500 2.577 2.227 2.840 . 0 0 "[ . 1 . 2]" 1
618 1 127 GLU H 1 128 THR H 2.690 . 3.580 2.666 2.569 2.808 . 0 0 "[ . 1 . 2]" 1
619 1 127 GLU H 1 127 GLU QB 2.665 . 3.530 2.301 2.094 2.580 . 0 0 "[ . 1 . 2]" 1
620 1 126 ALA MB 1 127 GLU H 2.625 . 3.450 2.516 2.396 2.670 . 0 0 "[ . 1 . 2]" 1
621 1 113 LEU H 1 114 LYS H 3.190 . 4.580 2.692 2.552 2.842 . 0 0 "[ . 1 . 2]" 1
622 1 112 HIS H 1 113 LEU H 3.105 . 4.410 2.644 2.544 2.754 . 0 0 "[ . 1 . 2]" 1
623 1 112 HIS HD2 1 113 LEU H 3.650 . 5.500 4.563 3.705 5.702 0.202 18 0 "[ . 1 . 2]" 1
624 1 112 HIS QB 1 113 LEU H 3.390 . 4.310 2.592 2.406 2.764 . 0 0 "[ . 1 . 2]" 1
625 1 99 ILE H 1 100 VAL H 2.745 . 3.690 2.678 2.530 2.874 . 0 0 "[ . 1 . 2]" 1
626 1 100 VAL H 1 100 VAL MG2 2.915 . 4.030 2.341 1.827 3.798 . 0 0 "[ . 1 . 2]" 1
627 1 100 VAL H 1 100 VAL MG1 2.915 . 4.030 2.684 1.816 3.786 . 0 0 "[ . 1 . 2]" 1
628 1 20 TYR H 1 20 TYR QD 3.035 . 4.270 4.187 4.117 4.233 . 0 0 "[ . 1 . 2]" 1
629 1 20 TYR H 1 20 TYR QB 2.820 . 3.840 2.250 2.195 2.289 . 0 0 "[ . 1 . 2]" 1
630 1 62 ALA H 1 63 PHE H 2.700 . 3.600 2.642 2.512 2.826 . 0 0 "[ . 1 . 2]" 1
631 1 63 PHE H 1 63 PHE QD 3.100 . 4.400 2.967 2.459 3.632 . 0 0 "[ . 1 . 2]" 1
632 1 63 PHE H 1 63 PHE QB 2.795 . 3.790 2.131 2.034 2.201 . 0 0 "[ . 1 . 2]" 1
633 1 62 ALA MB 1 63 PHE H 2.670 . 3.540 2.423 2.300 2.580 . 0 0 "[ . 1 . 2]" 1
634 1 90 LYS HA 1 91 ASP H 2.685 . 3.570 3.432 3.268 3.544 . 0 0 "[ . 1 . 2]" 1
635 1 114 LYS H 1 115 SER H 2.815 . 3.830 2.617 2.471 2.776 . 0 0 "[ . 1 . 2]" 1
636 1 114 LYS H 1 114 LYS QB 2.755 . 3.710 2.221 2.026 2.283 . 0 0 "[ . 1 . 2]" 1
637 1 136 THR H 1 137 LYS H 2.800 . 3.800 2.754 2.497 2.970 . 0 0 "[ . 1 . 2]" 1
638 1 137 LYS H 1 138 ARG H 2.660 . 3.520 2.900 2.602 3.163 . 0 0 "[ . 1 . 2]" 1
639 1 136 THR HB 1 137 LYS H 3.280 . 4.760 3.714 2.542 4.179 . 0 0 "[ . 1 . 2]" 1
640 1 137 LYS H 1 137 LYS QG 3.355 . 4.190 3.629 2.061 4.386 0.196 14 0 "[ . 1 . 2]" 1
641 1 109 VAL HB 1 110 ALA H 2.900 . 4.000 2.581 2.461 2.775 . 0 0 "[ . 1 . 2]" 1
642 1 42 ARG H 1 42 ARG QD 3.115 . 4.430 4.257 3.032 4.724 0.294 13 0 "[ . 1 . 2]" 1
643 1 42 ARG H 1 42 ARG QB 2.835 . 3.870 2.208 2.042 2.560 . 0 0 "[ . 1 . 2]" 1
644 1 42 ARG H 1 42 ARG QG 3.140 . 4.480 3.526 2.035 4.077 . 0 0 "[ . 1 . 2]" 1
645 1 140 TRP H 1 140 TRP QB 2.770 . 3.250 2.225 2.104 2.294 . 0 0 "[ . 1 . 2]" 1
646 1 139 ASP QB 1 140 TRP H 2.675 . 3.550 3.094 2.605 3.525 . 0 0 "[ . 1 . 2]" 1
647 1 83 ARG H 1 84 VAL H 2.740 . 3.680 2.687 2.599 2.761 . 0 0 "[ . 1 . 2]" 1
648 1 83 ARG H 1 83 ARG QB 2.905 . 4.010 2.324 2.098 2.519 . 0 0 "[ . 1 . 2]" 1
649 1 121 PHE QD 1 122 ILE H 3.405 . 5.010 4.455 4.272 4.588 . 0 0 "[ . 1 . 2]" 1
650 1 36 GLU H 1 36 GLU QG 3.170 . 4.540 2.204 1.772 3.075 0.028 3 0 "[ . 1 . 2]" 1
651 1 89 PHE H 1 90 LYS H 2.550 . 3.300 2.574 2.441 2.659 . 0 0 "[ . 1 . 2]" 1
652 1 90 LYS H 1 90 LYS QB 2.615 . 3.000 2.214 2.127 2.419 . 0 0 "[ . 1 . 2]" 1
653 1 90 LYS H 1 90 LYS QG 2.855 . 3.910 3.727 2.450 4.058 0.148 13 0 "[ . 1 . 2]" 1
654 1 60 GLU H 1 60 GLU QB 2.945 . 3.230 2.287 2.029 2.959 . 0 0 "[ . 1 . 2]" 1
655 1 59 HIS QB 1 60 GLU H 3.425 . 4.200 3.894 3.828 4.024 . 0 0 "[ . 1 . 2]" 1
656 1 138 ARG H 1 138 ARG QG 2.880 . 3.420 3.207 1.799 3.986 0.566 12 10 "[ *** ** -*+* . *]" 1
657 1 138 ARG H 1 139 ASP H 2.685 . 3.570 2.781 2.654 3.083 . 0 0 "[ . 1 . 2]" 1
658 1 111 LYS QB 1 112 HIS H 2.970 . 4.140 2.517 2.338 3.545 . 0 0 "[ . 1 . 2]" 1
659 1 112 HIS H 1 112 HIS QB 2.800 . 3.290 2.247 2.148 2.282 . 0 0 "[ . 1 . 2]" 1
660 1 74 ASN QB 1 75 GLU H 2.945 . 3.470 2.353 2.115 2.676 . 0 0 "[ . 1 . 2]" 1
661 1 160 GLU H 1 160 GLU HA 2.315 . 2.830 2.717 2.259 2.957 0.127 19 0 "[ . 1 . 2]" 1
662 1 160 GLU H 1 160 GLU QG 3.200 . 4.600 3.202 2.320 4.396 . 0 0 "[ . 1 . 2]" 1
663 1 160 GLU H 1 160 GLU QB 2.635 . 3.470 2.742 2.267 3.310 . 0 0 "[ . 1 . 2]" 1
664 1 159 LEU MD1 1 160 GLU H 3.460 . 5.120 4.687 3.636 5.605 0.485 7 0 "[ . 1 . 2]" 1
665 1 107 ALA H 1 108 PHE H 2.760 . 3.720 2.669 2.585 2.746 . 0 0 "[ . 1 . 2]" 1
666 1 108 PHE H 1 108 PHE QB 2.730 . 3.660 2.121 2.047 2.204 . 0 0 "[ . 1 . 2]" 1
667 1 159 LEU H 1 160 GLU H 2.670 . 3.540 2.481 1.939 3.230 . 0 0 "[ . 1 . 2]" 1
668 1 158 ASP HA 1 159 LEU H 2.460 . 3.120 2.715 2.139 3.570 0.450 17 0 "[ . 1 . 2]" 1
669 1 158 ASP QB 1 159 LEU H 2.985 . 4.170 3.364 1.774 3.986 0.026 12 0 "[ . 1 . 2]" 1
670 1 159 LEU H 1 159 LEU MD1 3.290 . 4.780 3.741 2.472 4.268 . 0 0 "[ . 1 . 2]" 1
671 1 142 VAL H 1 143 LYS H 2.755 . 3.710 2.741 2.553 2.861 . 0 0 "[ . 1 . 2]" 1
672 1 143 LYS H 1 144 GLN H 2.595 . 3.390 2.683 2.523 3.008 . 0 0 "[ . 1 . 2]" 1
673 1 143 LYS H 1 143 LYS QB 2.500 . 3.200 2.277 2.055 2.552 . 0 0 "[ . 1 . 2]" 1
674 1 142 VAL HB 1 143 LYS H 2.715 . 3.630 2.853 2.550 3.944 0.314 5 0 "[ . 1 . 2]" 1
675 1 131 ASP H 1 132 VAL H 2.765 . 3.730 2.873 2.704 2.955 . 0 0 "[ . 1 . 2]" 1
676 1 131 ASP H 1 131 ASP QB 2.635 . 3.470 2.200 2.074 2.424 . 0 0 "[ . 1 . 2]" 1
677 1 130 THR HB 1 131 ASP H 2.645 . 3.490 2.475 2.256 3.889 0.399 2 0 "[ . 1 . 2]" 1
678 1 108 PHE H 1 109 VAL H 2.750 . 3.700 2.615 2.518 2.689 . 0 0 "[ . 1 . 2]" 1
679 1 40 ALA H 1 41 GLY H 2.765 . 3.730 2.550 2.485 2.641 . 0 0 "[ . 1 . 2]" 1
680 1 40 ALA MB 1 41 GLY H 2.605 . 3.410 3.033 2.500 3.214 . 0 0 "[ . 1 . 2]" 1
681 1 64 GLN H 1 65 GLY H 2.810 . 3.820 2.652 2.560 2.767 . 0 0 "[ . 1 . 2]" 1
682 1 37 ALA MB 1 38 GLY H 2.860 . 3.920 2.255 2.050 2.412 . 0 0 "[ . 1 . 2]" 1
683 1 91 ASP QB 1 92 GLY H 3.325 . 4.260 3.435 3.049 3.802 . 0 0 "[ . 1 . 2]" 1
684 1 75 GLU H 1 76 GLY H 3.060 . 4.320 2.591 2.513 2.715 . 0 0 "[ . 1 . 2]" 1
685 1 76 GLY H 1 77 ASP H 2.680 . 3.560 2.680 2.505 2.813 . 0 0 "[ . 1 . 2]" 1
686 1 105 PHE H 1 106 GLY H 2.775 . 3.750 2.648 2.592 2.715 . 0 0 "[ . 1 . 2]" 1
687 1 105 PHE QD 1 106 GLY H 3.235 . 4.670 3.971 3.726 4.253 . 0 0 "[ . 1 . 2]" 1
688 1 105 PHE QB 1 106 GLY H 3.165 . 3.980 2.491 2.409 2.589 . 0 0 "[ . 1 . 2]" 1
689 1 135 ARG H 1 136 THR H 2.780 . 3.760 2.741 2.621 2.840 . 0 0 "[ . 1 . 2]" 1
690 1 135 ARG QB 1 136 THR H 3.360 . 4.100 2.947 2.608 3.716 . 0 0 "[ . 1 . 2]" 1
691 1 136 THR H 1 136 THR MG 2.735 . 3.670 2.480 2.101 3.769 0.099 11 0 "[ . 1 . 2]" 1
692 1 54 GLY H 1 55 VAL H 2.715 . 3.630 2.829 2.711 2.907 . 0 0 "[ . 1 . 2]" 1
693 1 53 ASP QB 1 54 GLY H 2.995 . 3.670 2.750 2.505 2.997 . 0 0 "[ . 1 . 2]" 1
694 1 145 ARG HA 1 146 GLY H 2.610 . 3.420 3.002 2.266 3.585 0.165 17 0 "[ . 1 . 2]" 1
695 1 97 GLY H 1 98 ARG H 2.680 . 3.560 2.718 2.583 2.795 . 0 0 "[ . 1 . 2]" 1
696 1 95 ASN QB 1 97 GLY H 3.360 . 4.060 2.798 2.515 2.971 . 0 0 "[ . 1 . 2]" 1
697 1 96 TRP QB 1 97 GLY H 3.325 . 4.030 2.739 2.616 2.932 . 0 0 "[ . 1 . 2]" 1
698 1 148 ASP H 1 149 GLY H 2.545 . 3.290 2.792 2.589 3.025 . 0 0 "[ . 1 . 2]" 1
699 1 148 ASP QB 1 149 GLY H 2.970 . 3.600 2.422 2.232 2.630 . 0 0 "[ . 1 . 2]" 1
700 1 149 GLY H 1 151 VAL MG2 3.605 . 5.410 4.845 4.360 5.456 0.046 14 0 "[ . 1 . 2]" 1
701 1 3 LEU QB 1 4 GLY H 3.015 . 4.230 3.159 2.556 3.773 . 0 0 "[ . 1 . 2]" 1
702 1 161 GLY H 1 162 GLY H 3.300 . 4.800 3.297 1.713 4.500 0.087 20 0 "[ . 1 . 2]" 1
703 1 160 GLU HA 1 161 GLY H 2.515 . 3.230 2.993 2.147 3.582 0.352 1 0 "[ . 1 . 2]" 1
704 1 160 GLU QB 1 161 GLY H 3.260 . 4.720 3.168 2.023 4.033 . 0 0 "[ . 1 . 2]" 1
705 1 51 VAL H 1 52 GLY H 2.850 . 3.900 2.651 2.514 2.801 . 0 0 "[ . 1 . 2]" 1
706 1 52 GLY H 1 53 ASP H 2.780 . 3.760 2.946 2.838 3.094 . 0 0 "[ . 1 . 2]" 1
707 1 51 VAL HB 1 52 GLY H 3.320 . 4.840 2.689 2.323 3.933 . 0 0 "[ . 1 . 2]" 1
708 1 51 VAL MG1 1 52 GLY H 3.070 . 4.340 3.412 2.031 4.167 . 0 0 "[ . 1 . 2]" 1
709 1 117 ASN H 1 118 GLN H 2.785 . 3.770 2.837 2.710 2.923 . 0 0 "[ . 1 . 2]" 1
710 1 116 VAL HB 1 117 ASN H 3.420 . 5.040 4.092 3.723 4.414 . 0 0 "[ . 1 . 2]" 1
711 1 56 GLN H 1 57 ARG H 3.335 . 4.870 2.734 2.621 2.932 . 0 0 "[ . 1 . 2]" 1
712 1 57 ARG H 1 57 ARG QD 3.205 . 4.610 4.176 3.307 4.722 0.112 4 0 "[ . 1 . 2]" 1
713 1 56 GLN QB 1 57 ARG H 2.900 . 3.500 2.655 2.425 2.767 . 0 0 "[ . 1 . 2]" 1
714 1 57 ARG H 1 57 ARG QB 2.570 . 3.340 2.311 2.054 2.610 . 0 0 "[ . 1 . 2]" 1
715 1 57 ARG H 1 57 ARG QG 3.025 . 4.250 2.916 2.053 4.042 . 0 0 "[ . 1 . 2]" 1
716 1 115 SER H 1 116 VAL H 2.955 . 4.110 2.725 2.628 2.808 . 0 0 "[ . 1 . 2]" 1
717 1 50 ARG H 1 51 VAL H 2.850 . 3.900 2.839 2.691 2.914 . 0 0 "[ . 1 . 2]" 1
718 1 50 ARG QB 1 51 VAL H 3.300 . 4.800 2.482 2.220 3.427 . 0 0 "[ . 1 . 2]" 1
719 1 51 VAL H 1 51 VAL MG2 2.845 . 3.890 2.136 1.846 3.805 . 0 0 "[ . 1 . 2]" 1
720 1 139 ASP H 1 139 ASP QB 2.360 . 2.920 2.454 2.118 2.790 . 0 0 "[ . 1 . 2]" 1
721 1 17 ILE HB 1 18 SER H 2.800 . 3.800 2.688 2.531 2.906 . 0 0 "[ . 1 . 2]" 1
722 1 16 ILE MG 1 18 SER H 3.485 . 5.170 5.030 4.866 5.333 0.163 19 0 "[ . 1 . 2]" 1
723 1 134 VAL H 1 135 ARG H 2.835 . 3.870 2.556 2.414 2.685 . 0 0 "[ . 1 . 2]" 1
724 1 135 ARG H 1 135 ARG QD 3.105 . 4.410 3.699 2.014 4.835 0.425 13 0 "[ . 1 . 2]" 1
725 1 134 VAL HB 1 135 ARG H 2.725 . 3.650 2.689 2.533 2.815 . 0 0 "[ . 1 . 2]" 1
726 1 135 ARG H 1 135 ARG QB 2.975 . 3.530 2.219 2.075 2.430 . 0 0 "[ . 1 . 2]" 1
727 1 133 LEU H 1 134 VAL H 2.810 . 3.820 2.733 2.621 2.901 . 0 0 "[ . 1 . 2]" 1
728 1 134 VAL H 1 134 VAL HB 2.745 . 3.690 2.408 2.315 2.521 . 0 0 "[ . 1 . 2]" 1
729 1 133 LEU QB 1 134 VAL H 2.930 . 3.500 2.600 2.449 2.829 . 0 0 "[ . 1 . 2]" 1
730 1 144 GLN H 1 145 ARG H 2.595 . 3.390 2.676 2.240 2.971 . 0 0 "[ . 1 . 2]" 1
731 1 145 ARG H 1 146 GLY H 2.665 . 3.530 2.970 2.626 4.273 0.743 14 2 "[ . - 1 +. 2]" 1
732 1 34 LEU HA 1 35 GLY H 2.675 . 3.550 2.900 2.846 3.192 . 0 0 "[ . 1 . 2]" 1
733 1 27 GLY H 1 28 SER H 2.660 . 3.520 2.381 2.102 2.891 . 0 0 "[ . 1 . 2]" 1
734 1 26 THR HB 1 27 GLY H 3.160 . 4.520 3.902 2.920 4.281 . 0 0 "[ . 1 . 2]" 1
735 1 26 THR MG 1 27 GLY H 3.055 . 4.310 4.124 3.820 4.328 0.018 7 0 "[ . 1 . 2]" 1
736 1 81 PHE H 1 82 SER H 3.010 . 4.220 2.747 2.615 2.869 . 0 0 "[ . 1 . 2]" 1
737 1 81 PHE QD 1 82 SER H 2.980 . 4.160 4.115 3.797 4.398 0.238 14 0 "[ . 1 . 2]" 1
738 1 82 SER H 1 82 SER QB 2.655 . 3.510 2.358 2.181 2.565 . 0 0 "[ . 1 . 2]" 1
739 1 81 PHE QB 1 82 SER H 3.115 . 3.790 2.497 2.367 2.618 . 0 0 "[ . 1 . 2]" 1
740 1 154 PHE H 1 155 HIS H 2.655 . 3.510 2.539 2.107 2.827 . 0 0 "[ . 1 . 2]" 1
741 1 153 PHE QD 1 154 PHE H 3.200 . 4.600 3.716 3.085 4.204 . 0 0 "[ . 1 . 2]" 1
742 1 60 GLU H 1 61 THR H 2.710 . 3.620 2.875 2.666 3.107 . 0 0 "[ . 1 . 2]" 1
743 1 61 THR H 1 61 THR MG 2.685 . 3.570 2.392 1.798 3.549 0.002 5 0 "[ . 1 . 2]" 1
744 1 12 GLN H 1 13 SER H 2.795 . 3.790 2.751 2.664 2.834 . 0 0 "[ . 1 . 2]" 1
745 1 13 SER H 1 13 SER HG 2.685 . 3.570 2.055 1.876 2.312 . 0 0 "[ . 1 . 2]" 1
746 1 13 SER H 1 13 SER QB 2.965 . 3.560 2.608 2.415 2.736 . 0 0 "[ . 1 . 2]" 1
747 1 12 GLN QB 1 13 SER H 2.785 . 3.770 2.425 2.163 2.675 . 0 0 "[ . 1 . 2]" 1
748 1 94 THR HA 1 95 ASN H 2.630 . 3.460 2.219 2.110 2.747 . 0 0 "[ . 1 . 2]" 1
749 1 94 THR MG 1 95 ASN H 2.785 . 3.770 3.151 2.681 4.383 0.613 13 1 "[ . 1 + . 2]" 1
750 1 26 THR HB 1 28 SER H 3.060 . 4.320 3.694 2.414 4.691 0.371 16 0 "[ . 1 . 2]" 1
751 1 26 THR MG 1 28 SER H 3.060 . 4.320 4.434 3.148 5.021 0.701 7 4 "[ . + *1 -.* 2]" 1
752 1 144 GLN H 1 144 GLN QE 3.360 . 4.250 3.704 2.065 4.641 0.391 6 0 "[ . 1 . 2]" 1
753 1 144 GLN H 1 144 GLN QB 2.890 . 3.980 2.450 2.165 2.963 . 0 0 "[ . 1 . 2]" 1
754 1 143 LYS QB 1 144 GLN H 2.805 . 3.810 2.793 2.436 3.097 . 0 0 "[ . 1 . 2]" 1
755 1 59 HIS H 1 60 GLU H 2.615 . 3.430 3.002 2.628 3.214 . 0 0 "[ . 1 . 2]" 1
756 1 59 HIS H 1 59 HIS QB 3.000 . 3.660 2.515 2.285 3.053 . 0 0 "[ . 1 . 2]" 1
757 1 86 VAL H 1 87 HIS H 2.935 . 4.070 2.652 2.576 2.706 . 0 0 "[ . 1 . 2]" 1
758 1 86 VAL H 1 86 VAL HB 2.735 . 3.670 2.849 2.356 3.683 0.013 17 0 "[ . 1 . 2]" 1
759 1 84 VAL H 1 84 VAL HB 2.675 . 3.550 2.512 2.376 2.609 . 0 0 "[ . 1 . 2]" 1
760 1 129 ILE H 1 130 THR H 2.865 . 3.930 2.875 2.790 2.962 . 0 0 "[ . 1 . 2]" 1
761 1 130 THR H 1 130 THR HB 2.545 . 3.290 2.687 2.468 2.786 . 0 0 "[ . 1 . 2]" 1
762 1 79 LYS H 1 80 SER H 2.695 . 3.590 2.629 2.497 2.851 . 0 0 "[ . 1 . 2]" 1
763 1 80 SER H 1 81 PHE H 2.690 . 3.580 2.591 2.450 2.718 . 0 0 "[ . 1 . 2]" 1
764 1 79 LYS QB 1 80 SER H 3.650 . 5.500 2.605 2.427 2.813 . 0 0 "[ . 1 . 2]" 1
765 1 21 LEU H 1 22 ARG H 2.795 . 3.790 2.751 2.566 2.892 . 0 0 "[ . 1 . 2]" 1
766 1 22 ARG H 1 22 ARG QD 3.065 . 4.330 3.913 2.810 4.601 0.271 7 0 "[ . 1 . 2]" 1
767 1 22 ARG H 1 22 ARG QB 2.930 . 4.060 2.269 2.051 2.470 . 0 0 "[ . 1 . 2]" 1
768 1 22 ARG H 1 22 ARG QG 2.935 . 4.070 3.008 2.185 4.074 0.004 13 0 "[ . 1 . 2]" 1
769 1 5 SER H 1 5 SER QB 2.730 . 3.190 2.676 2.306 3.037 . 0 0 "[ . 1 . 2]" 1
770 1 103 ILE HB 1 104 SER H 2.915 . 4.030 2.644 2.497 2.814 . 0 0 "[ . 1 . 2]" 1
771 1 103 ILE MG 1 104 SER H 2.845 . 3.890 3.563 3.335 3.842 . 0 0 "[ . 1 . 2]" 1
772 1 73 LYS H 1 74 ASN H 2.670 . 3.540 1.854 1.753 2.069 0.047 2 0 "[ . 1 . 2]" 1
773 1 72 ILE MG 1 74 ASN H 2.800 . 3.800 3.328 2.963 3.797 . 0 0 "[ . 1 . 2]" 1
774 1 73 LYS QB 1 74 ASN H 2.695 . 3.590 3.241 2.537 3.734 0.144 2 0 "[ . 1 . 2]" 1
775 1 110 ALA H 1 111 LYS H 2.875 . 3.950 2.689 2.588 2.872 . 0 0 "[ . 1 . 2]" 1
776 1 110 ALA MB 1 111 LYS H 2.735 . 3.670 2.534 2.335 2.662 . 0 0 "[ . 1 . 2]" 1
777 1 111 LYS H 1 111 LYS QB 2.710 . 3.620 2.314 2.078 2.629 . 0 0 "[ . 1 . 2]" 1
778 1 111 LYS H 1 112 HIS H 2.760 . 3.720 2.690 2.581 2.795 . 0 0 "[ . 1 . 2]" 1
779 1 131 ASP QB 1 132 VAL H 2.870 . 3.280 2.388 2.283 2.522 . 0 0 "[ . 1 . 2]" 1
780 1 57 ARG H 1 58 ASN H 2.725 . 3.650 2.540 2.386 2.735 . 0 0 "[ . 1 . 2]" 1
781 1 58 ASN H 1 59 HIS H 2.610 . 3.420 2.722 2.577 2.886 . 0 0 "[ . 1 . 2]" 1
782 1 58 ASN H 1 58 ASN QB 2.700 . 3.600 2.305 2.056 2.686 . 0 0 "[ . 1 . 2]" 1
783 1 57 ARG QB 1 58 ASN H 2.570 . 3.340 2.728 2.431 3.459 0.119 19 0 "[ . 1 . 2]" 1
784 1 15 GLU H 1 16 ILE H 3.005 . 4.210 2.805 2.588 2.974 . 0 0 "[ . 1 . 2]" 1
785 1 16 ILE H 1 17 ILE H 2.885 . 3.970 2.854 2.767 2.925 . 0 0 "[ . 1 . 2]" 1
786 1 16 ILE H 1 16 ILE QG 3.300 . 4.070 2.251 2.059 2.391 . 0 0 "[ . 1 . 2]" 1
787 1 16 ILE H 1 16 ILE HB 2.965 . 4.130 2.433 2.346 2.510 . 0 0 "[ . 1 . 2]" 1
788 1 9 LEU H 1 10 TYR H 2.630 . 3.460 2.639 2.460 2.829 . 0 0 "[ . 1 . 2]" 1
789 1 90 LYS H 1 91 ASP H 2.855 . 3.910 2.792 2.573 3.083 . 0 0 "[ . 1 . 2]" 1
790 1 116 VAL H 1 117 ASN H 2.775 . 3.750 2.382 2.253 2.516 . 0 0 "[ . 1 . 2]" 1
791 1 120 SER H 1 121 PHE H 3.485 . 5.170 2.727 2.661 2.794 . 0 0 "[ . 1 . 2]" 1
792 1 5 SER HA 1 6 GLU H 2.560 . 3.320 3.358 3.125 3.503 0.183 19 0 "[ . 1 . 2]" 1
793 1 6 GLU H 1 6 GLU QB 2.840 . 3.880 2.271 2.111 2.389 . 0 0 "[ . 1 . 2]" 1
794 1 119 GLU H 1 119 GLU QB 2.530 . 3.260 2.345 2.128 2.765 . 0 0 "[ . 1 . 2]" 1
795 1 51 VAL H 1 51 VAL HB 2.810 . 3.820 2.693 2.424 3.660 . 0 0 "[ . 1 . 2]" 1
796 1 74 ASN H 1 75 GLU H 3.345 . 4.890 4.443 4.383 4.534 . 0 0 "[ . 1 . 2]" 1
797 1 139 ASP H 1 140 TRP H 2.620 . 3.440 2.711 2.531 2.887 . 0 0 "[ . 1 . 2]" 1
798 1 140 TRP H 1 141 LEU H 2.710 . 3.620 2.732 2.480 2.905 . 0 0 "[ . 1 . 2]" 1
799 1 61 THR H 1 61 THR HB 2.470 . 3.140 3.527 2.776 3.628 0.488 18 0 "[ . 1 . 2]" 1
800 1 65 GLY H 1 66 MET H 2.790 . 3.780 2.774 2.613 2.874 . 0 0 "[ . 1 . 2]" 1
801 1 66 MET H 1 67 LEU H 2.805 . 3.810 2.616 2.493 2.761 . 0 0 "[ . 1 . 2]" 1
802 1 109 VAL H 1 110 ALA H 2.825 . 3.850 2.676 2.586 2.733 . 0 0 "[ . 1 . 2]" 1
803 1 19 ARG QB 1 20 TYR H 2.885 . 3.970 2.412 2.282 2.544 . 0 0 "[ . 1 . 2]" 1
804 1 53 ASP H 1 54 GLY H 2.650 . 3.500 2.590 2.492 2.716 . 0 0 "[ . 1 . 2]" 1
805 1 130 THR H 1 131 ASP H 2.740 . 3.680 2.820 2.724 2.941 . 0 0 "[ . 1 . 2]" 1
806 1 129 ILE H 1 129 ILE MG 2.845 . 3.890 3.776 3.767 3.786 . 0 0 "[ . 1 . 2]" 1
807 1 129 ILE H 1 129 ILE HB 2.860 . 3.920 2.522 2.464 2.645 . 0 0 "[ . 1 . 2]" 1
808 1 91 ASP H 1 91 ASP QB 2.820 . 3.840 2.601 2.107 2.956 . 0 0 "[ . 1 . 2]" 1
809 1 90 LYS QB 1 91 ASP H 3.095 . 3.810 3.177 2.747 3.780 . 0 0 "[ . 1 . 2]" 1
810 1 91 ASP H 1 92 GLY H 2.540 . 3.280 2.509 2.274 2.700 . 0 0 "[ . 1 . 2]" 1
811 1 82 SER H 1 83 ARG H 2.950 . 4.100 2.712 2.619 2.840 . 0 0 "[ . 1 . 2]" 1
812 1 42 ARG H 1 43 ARG H 2.820 . 3.840 2.783 2.513 3.000 . 0 0 "[ . 1 . 2]" 1
813 1 45 LEU H 1 46 GLU H 2.720 . 3.640 2.732 2.579 2.848 . 0 0 "[ . 1 . 2]" 1
814 1 8 ASP H 1 9 LEU H 2.785 . 3.770 2.719 2.553 2.961 . 0 0 "[ . 1 . 2]" 1
815 1 8 ASP QB 1 9 LEU H 2.765 . 3.730 2.927 2.573 3.373 . 0 0 "[ . 1 . 2]" 1
816 1 157 GLN QG 1 158 ASP H 3.220 . 4.640 4.140 2.459 4.920 0.280 7 0 "[ . 1 . 2]" 1
817 1 157 GLN QB 1 158 ASP H 2.795 . 3.790 3.471 1.956 4.008 0.218 9 0 "[ . 1 . 2]" 1
818 1 4 GLY H 1 5 SER H 3.240 . 4.680 2.662 2.460 2.966 . 0 0 "[ . 1 . 2]" 1
819 1 34 LEU H 1 35 GLY H 3.160 . 4.520 3.129 2.716 3.276 . 0 0 "[ . 1 . 2]" 1
820 1 34 LEU H 1 34 LEU MD1 2.975 . 4.150 2.964 1.886 4.013 . 0 0 "[ . 1 . 2]" 1
821 1 31 SER H 1 32 LYS H 3.190 . 4.580 4.132 3.130 4.592 0.012 8 0 "[ . 1 . 2]" 1
822 1 96 TRP H 1 97 GLY H 2.680 . 3.560 2.709 2.516 3.073 . 0 0 "[ . 1 . 2]" 1
823 1 95 ASN QB 1 96 TRP H 3.005 . 3.700 2.780 2.253 2.990 . 0 0 "[ . 1 . 2]" 1
824 1 94 THR H 1 94 THR HB 2.945 . 4.090 2.965 2.711 3.395 . 0 0 "[ . 1 . 2]" 1
825 1 116 VAL H 1 118 GLN QE 3.650 . 5.500 5.274 4.543 5.920 0.420 10 0 "[ . 1 . 2]" 1
826 1 118 GLN QB 1 118 GLN QE 3.650 . 5.500 2.165 1.771 3.455 0.029 14 0 "[ . 1 . 2]" 1
827 1 12 GLN HA 1 12 GLN HE22 3.415 . 5.030 5.353 4.104 5.839 0.809 17 7 "[* * *-* . +* 2]" 1
828 1 12 GLN HA 1 12 GLN HE21 3.415 . 5.030 3.976 2.545 4.709 . 0 0 "[ . 1 . 2]" 1
829 1 24 GLN QB 1 24 GLN QE 2.975 . 4.150 3.074 1.723 3.611 0.077 2 0 "[ . 1 . 2]" 1
830 1 56 GLN HA 1 56 GLN QE 3.650 . 5.500 4.569 4.146 4.877 . 0 0 "[ . 1 . 2]" 1
831 1 56 GLN QB 1 56 GLN QE 3.650 . 4.080 3.203 2.653 3.493 . 0 0 "[ . 1 . 2]" 1
832 1 64 GLN QE 1 64 GLN QG 2.745 . 3.120 2.199 2.082 2.661 . 0 0 "[ . 1 . 2]" 1
833 1 64 GLN QB 1 64 GLN QE 3.425 . 3.700 3.158 1.782 3.713 0.018 12 0 "[ . 1 . 2]" 1
834 1 74 ASN HD21 1 75 GLU H 3.650 . 5.500 4.285 3.475 5.350 . 0 0 "[ . 1 . 2]" 1
835 1 74 ASN HD22 1 75 GLU H 3.650 . 5.500 4.979 4.282 6.377 0.877 4 4 "[ +. -* . *]" 1
836 1 74 ASN HA 1 74 ASN HD22 3.610 . 5.420 3.723 3.175 5.034 . 0 0 "[ . 1 . 2]" 1
837 1 73 LYS QB 1 74 ASN HD22 3.165 . 4.530 4.522 2.791 5.468 0.938 8 7 "[* * +*1 ** . - 2]" 1
838 1 73 LYS QB 1 74 ASN HD21 3.165 . 4.530 3.919 2.719 5.039 0.509 3 1 "[ + . 1 . 2]" 1
839 1 74 ASN H 1 74 ASN HD22 3.525 . 5.250 4.818 3.290 5.688 0.438 14 0 "[ . 1 . 2]" 1
840 1 117 ASN HA 1 117 ASN HD21 3.550 . 5.300 4.175 3.439 4.413 . 0 0 "[ . 1 . 2]" 1
841 1 117 ASN HA 1 117 ASN HD22 3.550 . 5.300 4.411 3.980 4.596 . 0 0 "[ . 1 . 2]" 1
842 1 144 GLN HA 1 144 GLN QE 3.455 . 4.390 4.086 3.425 4.939 0.549 14 1 "[ . 1 +. 2]" 1
843 1 143 LYS QB 1 144 GLN QE 3.385 . 4.170 3.236 2.239 4.193 0.023 14 0 "[ . 1 . 2]" 1
844 1 157 GLN HA 1 157 GLN QE 3.650 . 4.790 3.179 1.928 5.489 0.699 9 1 "[ . +1 . 2]" 1
845 1 157 GLN QB 1 157 GLN QE 3.615 . 5.430 2.934 1.764 3.753 0.036 15 0 "[ . 1 . 2]" 1
846 1 58 ASN H 1 58 ASN QD 3.355 . 4.320 3.070 2.303 4.530 0.210 20 0 "[ . 1 . 2]" 1
847 1 58 ASN HA 1 58 ASN QD 3.400 . 5.000 3.672 3.219 4.170 . 0 0 "[ . 1 . 2]" 1
848 1 57 ARG QB 1 58 ASN QD 3.650 . 5.500 4.155 2.886 5.693 0.193 20 0 "[ . 1 . 2]" 1
849 1 74 ASN HA 1 74 ASN HD21 3.610 . 5.420 2.629 1.861 4.260 . 0 0 "[ . 1 . 2]" 1
850 1 74 ASN H 1 74 ASN HD21 3.525 . 5.250 3.593 2.344 4.682 . 0 0 "[ . 1 . 2]" 1
851 1 85 MET H 1 86 VAL H 2.850 . 3.900 2.762 2.640 2.872 . 0 0 "[ . 1 . 2]" 1
852 1 101 THR H 1 102 LEU H 2.855 . 3.910 2.708 2.567 2.898 . 0 0 "[ . 1 . 2]" 1
853 1 150 PHE H 1 151 VAL H 2.790 . 3.780 2.828 2.642 2.924 . 0 0 "[ . 1 . 2]" 1
854 1 151 VAL MG1 1 152 GLU H 2.970 . 4.140 3.638 3.218 4.103 . 0 0 "[ . 1 . 2]" 1
855 1 39 ALA H 1 40 ALA H 3.650 . 5.500 2.621 2.500 2.790 . 0 0 "[ . 1 . 2]" 1
856 1 38 GLY H 1 39 ALA H 3.650 . 5.500 4.372 4.289 4.417 . 0 0 "[ . 1 . 2]" 1
857 1 116 VAL HA 1 117 ASN H 2.650 . 3.500 3.121 3.039 3.178 . 0 0 "[ . 1 . 2]" 1
858 1 11 ARG H 1 11 ARG HE 3.620 . 5.440 4.408 3.165 5.412 . 0 0 "[ . 1 . 2]" 1
859 1 11 ARG QB 1 11 ARG HE 3.105 . 4.410 3.018 1.860 4.252 . 0 0 "[ . 1 . 2]" 1
860 1 11 ARG HA 1 11 ARG HE 3.650 . 5.500 4.524 2.910 5.364 . 0 0 "[ . 1 . 2]" 1
861 1 18 SER HA 1 19 ARG H 2.670 . 3.540 3.556 3.531 3.586 0.046 16 0 "[ . 1 . 2]" 1
862 1 122 ILE H 1 123 GLU H 2.800 . 3.800 2.679 2.562 2.935 . 0 0 "[ . 1 . 2]" 1
863 1 49 ARG H 1 49 ARG HE 3.430 . 5.060 5.152 4.279 5.959 0.899 14 3 "[* . 1 +. -]" 1
864 1 49 ARG QB 1 49 ARG HE 3.055 . 4.310 2.804 2.018 4.016 . 0 0 "[ . 1 . 2]" 1
865 1 7 ASP HA 1 8 ASP H 2.545 . 3.290 2.181 2.128 2.298 . 0 0 "[ . 1 . 2]" 1
866 1 23 GLU H 1 23 GLU QB 2.720 . 3.640 2.473 2.188 2.679 . 0 0 "[ . 1 . 2]" 1
867 1 12 GLN QB 1 12 GLN HE21 3.270 . 4.740 2.867 1.777 3.823 0.023 20 0 "[ . 1 . 2]" 1
868 1 12 GLN QB 1 12 GLN HE22 3.270 . 4.740 3.605 3.132 4.088 . 0 0 "[ . 1 . 2]" 1
869 1 127 GLU QB 1 128 THR H 2.765 . 3.730 2.508 2.368 2.735 . 0 0 "[ . 1 . 2]" 1
870 1 86 VAL MG1 1 87 HIS H 3.405 . 5.010 3.634 3.282 4.034 . 0 0 "[ . 1 . 2]" 1
871 1 93 VAL H 1 93 VAL QG 2.755 . 3.090 1.912 1.775 2.324 0.025 16 0 "[ . 1 . 2]" 1
872 1 51 VAL H 1 51 VAL MG1 2.845 . 3.890 3.571 2.098 3.798 . 0 0 "[ . 1 . 2]" 1
873 1 51 VAL MG2 1 52 GLY H 3.070 . 4.340 3.578 2.186 3.875 . 0 0 "[ . 1 . 2]" 1
874 1 100 VAL HB 1 101 THR H 3.275 . 4.750 3.468 2.480 4.220 . 0 0 "[ . 1 . 2]" 1
875 1 63 PHE QD 1 64 GLN H 3.535 . 5.270 4.525 4.466 4.610 . 0 0 "[ . 1 . 2]" 1
876 1 84 VAL MG1 1 85 MET H 3.650 . 5.500 3.322 2.953 3.494 . 0 0 "[ . 1 . 2]" 1
877 1 68 ARG H 1 68 ARG QG 2.960 . 4.120 3.051 2.074 4.079 . 0 0 "[ . 1 . 2]" 1
878 1 10 TYR H 1 10 TYR QD 2.980 . 4.160 4.116 3.909 4.219 0.059 17 0 "[ . 1 . 2]" 1
879 1 61 THR HA 1 62 ALA H 2.680 . 3.560 3.538 3.513 3.564 0.004 13 0 "[ . 1 . 2]" 1
880 1 85 MET H 1 85 MET ME 3.610 . 5.420 4.705 4.533 5.509 0.089 5 0 "[ . 1 . 2]" 1
881 1 73 LYS QG 1 74 ASN H 3.345 . 4.890 3.402 2.179 4.751 . 0 0 "[ . 1 . 2]" 1
882 1 98 ARG QB 1 98 ARG HE 3.235 . 4.670 3.961 3.197 4.182 . 0 0 "[ . 1 . 2]" 1
883 1 130 THR H 1 130 THR MG 2.810 . 3.820 3.694 2.357 3.782 . 0 0 "[ . 1 . 2]" 1
884 1 21 LEU MD1 1 22 ARG H 3.650 . 5.500 4.694 4.404 4.975 . 0 0 "[ . 1 . 2]" 1
885 1 21 LEU MD2 1 22 ARG H 3.650 . 5.500 4.408 4.259 4.913 . 0 0 "[ . 1 . 2]" 1
886 1 10 TYR H 1 10 TYR QB 2.795 . 3.790 2.219 2.125 2.264 . 0 0 "[ . 1 . 2]" 1
887 1 159 LEU H 1 159 LEU MD2 3.290 . 4.780 3.608 1.788 4.433 0.012 18 0 "[ . 1 . 2]" 1
888 1 159 LEU MD2 1 160 GLU H 3.460 . 5.120 4.593 3.465 5.403 0.283 10 0 "[ . 1 . 2]" 1
889 1 26 THR H 1 26 THR HB 2.980 . 4.160 3.513 2.613 3.758 . 0 0 "[ . 1 . 2]" 1
890 1 3 LEU H 1 3 LEU HG 2.700 . 3.600 3.061 1.771 4.427 0.827 18 3 "[ . 1 -. *+ 2]" 1
891 1 83 ARG H 1 83 ARG QG 2.930 . 4.060 2.879 2.054 4.051 . 0 0 "[ . 1 . 2]" 1
892 1 68 ARG H 1 68 ARG QD 3.120 . 4.440 3.909 2.881 4.743 0.303 6 0 "[ . 1 . 2]" 1
893 1 94 THR H 1 95 ASN H 3.355 . 4.910 4.103 3.409 4.415 . 0 0 "[ . 1 . 2]" 1
894 1 126 ALA H 1 127 GLU H 2.725 . 3.650 2.769 2.682 2.907 . 0 0 "[ . 1 . 2]" 1
895 1 95 ASN HA 1 95 ASN HD22 3.595 . 5.390 4.274 3.768 4.744 . 0 0 "[ . 1 . 2]" 1
896 1 95 ASN HA 1 95 ASN HD21 3.595 . 5.390 3.697 2.683 4.529 . 0 0 "[ . 1 . 2]" 1
897 1 94 THR HB 1 95 ASN H 3.250 . 4.700 4.128 3.849 4.402 . 0 0 "[ . 1 . 2]" 1
898 1 96 TRP H 1 96 TRP HE1 3.650 . 5.500 5.299 4.666 5.789 0.289 19 0 "[ . 1 . 2]" 1
899 1 98 ARG QB 1 99 ILE H 3.155 . 4.510 2.683 2.446 2.801 . 0 0 "[ . 1 . 2]" 1
900 1 120 SER QB 1 121 PHE H 2.660 . 3.520 3.345 2.988 3.711 0.191 19 0 "[ . 1 . 2]" 1
901 1 150 PHE QD 1 151 VAL H 3.220 . 4.640 3.162 2.863 3.604 . 0 0 "[ . 1 . 2]" 1
902 1 151 VAL H 1 152 GLU H 2.910 . 4.020 2.665 2.491 2.822 . 0 0 "[ . 1 . 2]" 1
903 1 35 GLY H 1 36 GLU H 3.130 . 4.460 2.693 2.445 2.865 . 0 0 "[ . 1 . 2]" 1
904 1 56 GLN QE 1 57 ARG H 3.650 . 5.500 5.866 5.414 6.153 0.653 4 8 "[ +.** *- * .* * 2]" 1
905 1 154 PHE H 1 154 PHE QD 2.840 . 3.880 2.883 2.316 3.370 . 0 0 "[ . 1 . 2]" 1
906 1 153 PHE H 1 154 PHE QD 3.470 . 5.140 4.639 4.160 5.365 0.225 4 0 "[ . 1 . 2]" 1
907 1 153 PHE QD 1 155 HIS H 3.650 . 5.500 5.432 5.096 5.937 0.437 10 0 "[ . 1 . 2]" 1
908 1 155 HIS QB 1 156 VAL H 2.980 . 4.160 3.712 2.369 4.062 . 0 0 "[ . 1 . 2]" 1
909 1 6 GLU H 1 6 GLU QG 2.845 . 3.890 3.379 2.414 4.143 0.253 9 0 "[ . 1 . 2]" 1
910 1 12 GLN HA 1 12 GLN QE 3.100 . 4.400 3.869 2.522 4.522 0.122 17 0 "[ . 1 . 2]" 1
911 1 12 GLN QB 1 12 GLN QE 2.935 . 4.070 2.730 1.769 3.510 0.031 20 0 "[ . 1 . 2]" 1
912 1 12 GLN QE 1 12 GLN QG 2.460 . 3.120 2.261 2.116 2.675 . 0 0 "[ . 1 . 2]" 1
913 1 12 GLN QE 1 13 SER H 3.415 . 5.030 5.535 4.645 6.047 1.017 10 14 "[***** ** +** -.** *2]" 1
914 1 14 LEU QB 1 15 GLU H 2.815 . 3.830 2.346 2.145 2.511 . 0 0 "[ . 1 . 2]" 1
915 1 21 LEU QD 1 22 ARG H 2.975 . 4.150 4.022 3.929 4.164 0.014 19 0 "[ . 1 . 2]" 1
916 1 28 SER H 1 28 SER QB 2.630 . 3.460 2.421 2.115 2.890 . 0 0 "[ . 1 . 2]" 1
917 1 34 LEU H 1 34 LEU QB 2.515 . 3.230 2.263 2.032 2.488 . 0 0 "[ . 1 . 2]" 1
918 1 34 LEU QB 1 35 GLY H 2.890 . 3.980 3.799 3.519 3.837 . 0 0 "[ . 1 . 2]" 1
919 1 34 LEU QD 1 36 GLU H 3.620 . 5.440 4.555 3.365 5.089 . 0 0 "[ . 1 . 2]" 1
920 1 36 GLU H 1 36 GLU QB 2.710 . 3.620 2.791 2.495 2.998 . 0 0 "[ . 1 . 2]" 1
921 1 36 GLU QB 1 37 ALA H 2.880 . 3.960 2.932 2.117 3.768 . 0 0 "[ . 1 . 2]" 1
922 1 43 ARG QB 1 44 ALA H 2.760 . 3.720 2.716 2.467 3.531 . 0 0 "[ . 1 . 2]" 1
923 1 45 LEU H 1 45 LEU QB 2.635 . 3.470 2.205 2.050 2.268 . 0 0 "[ . 1 . 2]" 1
924 1 51 VAL H 1 51 VAL QG 2.540 . 3.280 2.036 1.812 2.237 . 0 0 "[ . 1 . 2]" 1
925 1 51 VAL QG 1 52 GLY H 2.775 . 3.750 3.003 2.020 3.248 . 0 0 "[ . 1 . 2]" 1
926 1 51 VAL QG 1 53 ASP H 3.320 . 4.840 4.760 4.262 4.887 0.047 15 0 "[ . 1 . 2]" 1
927 1 52 GLY QA 1 53 ASP H 2.460 . 3.120 2.619 2.571 2.695 . 0 0 "[ . 1 . 2]" 1
928 1 54 GLY H 1 55 VAL QG 2.995 . 4.190 4.057 3.667 4.412 0.222 5 0 "[ . 1 . 2]" 1
929 1 55 VAL QG 1 56 GLN H 2.760 . 3.720 2.942 2.069 3.299 . 0 0 "[ . 1 . 2]" 1
930 1 56 GLN H 1 56 GLN QE 2.970 . 4.140 4.251 3.809 4.925 0.785 9 3 "[ . - +1 * . 2]" 1
931 1 56 GLN QG 1 57 ARG H 3.195 . 4.590 4.271 3.874 4.493 . 0 0 "[ . 1 . 2]" 1
932 1 60 GLU QB 1 61 THR H 2.615 . 3.430 2.550 2.253 3.177 . 0 0 "[ . 1 . 2]" 1
933 1 66 MET H 1 66 MET QB 2.700 . 3.600 2.413 2.033 2.919 . 0 0 "[ . 1 . 2]" 1
934 1 67 LEU H 1 67 LEU QD 2.740 . 3.680 3.574 2.855 3.721 0.041 8 0 "[ . 1 . 2]" 1
935 1 73 LYS QB 1 74 ASN QD 2.855 . 3.910 3.569 2.685 4.162 0.252 3 0 "[ . 1 . 2]" 1
936 1 73 LYS QG 1 74 ASN QD 3.170 . 4.540 3.910 2.005 5.347 0.807 7 2 "[ . + 1 . - 2]" 1
937 1 74 ASN H 1 74 ASN QB 2.625 . 3.450 2.756 2.535 3.108 . 0 0 "[ . 1 . 2]" 1
938 1 74 ASN H 1 74 ASN QD 3.130 . 4.460 3.481 2.310 4.286 . 0 0 "[ . 1 . 2]" 1
939 1 74 ASN HA 1 74 ASN QD 3.180 . 4.560 2.552 1.849 3.994 . 0 0 "[ . 1 . 2]" 1
940 1 74 ASN QB 1 74 ASN QD 2.475 . 3.150 2.460 2.149 2.696 . 0 0 "[ . 1 . 2]" 1
941 1 75 GLU H 1 75 GLU QB 2.665 . 3.530 2.247 2.032 2.836 . 0 0 "[ . 1 . 2]" 1
942 1 75 GLU QB 1 76 GLY H 2.870 . 3.940 2.946 2.620 3.492 . 0 0 "[ . 1 . 2]" 1
943 1 77 ASP H 1 77 ASP QB 2.595 . 3.390 2.477 2.311 2.633 . 0 0 "[ . 1 . 2]" 1
944 1 77 ASP QB 1 78 VAL H 3.035 . 4.270 2.925 2.606 3.145 . 0 0 "[ . 1 . 2]" 1
945 1 84 VAL QG 1 85 MET H 3.120 . 4.440 3.126 2.869 3.222 . 0 0 "[ . 1 . 2]" 1
946 1 87 HIS H 1 88 VAL QG 3.225 . 4.650 4.111 3.915 4.237 . 0 0 "[ . 1 . 2]" 1
947 1 88 VAL QG 1 90 LYS H 3.405 . 5.010 4.268 4.228 4.319 . 0 0 "[ . 1 . 2]" 1
948 1 89 PHE H 1 89 PHE QB 2.660 . 3.520 2.356 2.259 2.454 . 0 0 "[ . 1 . 2]" 1
949 1 89 PHE QB 1 90 LYS H 3.000 . 4.200 3.498 3.398 3.565 . 0 0 "[ . 1 . 2]" 1
950 1 95 ASN HA 1 95 ASN QD 3.270 . 4.740 3.453 2.638 4.123 . 0 0 "[ . 1 . 2]" 1
951 1 100 VAL H 1 100 VAL QG 2.585 . 3.370 1.907 1.785 2.015 0.015 5 0 "[ . 1 . 2]" 1
952 1 105 PHE QB 1 107 ALA H 3.440 . 5.080 4.702 4.622 4.778 . 0 0 "[ . 1 . 2]" 1
953 1 109 VAL QG 1 110 ALA H 2.765 . 3.730 3.118 2.964 3.290 . 0 0 "[ . 1 . 2]" 1
954 1 113 LEU H 1 113 LEU QB 2.670 . 3.540 2.201 2.010 2.479 . 0 0 "[ . 1 . 2]" 1
955 1 115 SER H 1 115 SER QB 2.510 . 3.220 2.377 2.231 2.495 . 0 0 "[ . 1 . 2]" 1
956 1 117 ASN H 1 117 ASN QB 2.695 . 3.590 3.181 2.900 3.365 . 0 0 "[ . 1 . 2]" 1
957 1 117 ASN QB 1 117 ASN QD 2.480 . 3.160 2.146 2.095 2.253 . 0 0 "[ . 1 . 2]" 1
958 1 124 PRO QD 1 125 LEU H 3.045 . 4.290 2.616 2.415 2.980 . 0 0 "[ . 1 . 2]" 1
959 1 134 VAL QG 1 135 ARG H 2.620 . 3.440 3.097 2.917 3.332 . 0 0 "[ . 1 . 2]" 1
960 1 135 ARG H 1 135 ARG QG 3.570 . 5.340 3.272 2.297 4.044 . 0 0 "[ . 1 . 2]" 1
961 1 138 ARG QB 1 138 ARG HE 3.175 . 4.550 3.306 2.121 4.165 . 0 0 "[ . 1 . 2]" 1
962 1 143 LYS H 1 144 GLN QE 3.460 . 5.120 5.005 3.861 6.154 1.034 14 6 "[** .* 1 * +.- 2]" 1
963 1 144 GLN QB 1 144 GLN QE 3.185 . 4.570 2.917 1.773 3.725 0.027 17 0 "[ . 1 . 2]" 1
964 1 144 GLN QG 1 146 GLY H 3.570 . 5.340 5.073 4.417 5.931 0.591 8 1 "[ . + 1 . 2]" 1
965 1 150 PHE H 1 150 PHE QB 2.665 . 3.530 2.192 2.083 2.251 . 0 0 "[ . 1 . 2]" 1
966 1 150 PHE H 1 151 VAL QG 3.260 . 4.720 3.943 3.659 4.223 . 0 0 "[ . 1 . 2]" 1
967 1 154 PHE H 1 154 PHE QB 2.740 . 3.680 2.235 2.081 2.516 . 0 0 "[ . 1 . 2]" 1
968 1 156 VAL H 1 156 VAL QG 2.580 . 3.360 1.919 1.775 2.466 0.025 14 0 "[ . 1 . 2]" 1
969 1 156 VAL QG 1 157 GLN H 2.715 . 3.630 2.908 1.784 3.630 0.016 14 0 "[ . 1 . 2]" 1
970 1 159 LEU H 1 159 LEU QB 2.355 . 2.910 2.457 2.142 3.051 0.141 10 0 "[ . 1 . 2]" 1
971 1 159 LEU H 1 159 LEU QD 2.760 . 3.720 3.187 1.785 3.869 0.149 17 0 "[ . 1 . 2]" 1
972 1 159 LEU QB 1 160 GLU H 2.665 . 3.530 3.049 1.893 3.992 0.462 10 0 "[ . 1 . 2]" 1
973 1 159 LEU QD 1 160 GLU H 2.755 . 3.710 4.073 3.326 4.372 0.662 19 7 "[ *** 1 * - +*]" 1
974 1 89 PHE HA 1 89 PHE QD 2.655 . 3.510 2.201 1.768 2.733 0.032 13 0 "[ . 1 . 2]" 1
975 1 105 PHE HA 1 105 PHE QD 2.755 . 3.710 2.238 1.885 2.393 . 0 0 "[ . 1 . 2]" 1
976 1 63 PHE HA 1 63 PHE QD 2.755 . 3.710 2.596 1.779 3.032 0.021 18 0 "[ . 1 . 2]" 1
977 1 108 PHE HA 1 108 PHE QD 2.565 . 3.330 1.878 1.747 2.407 0.053 1 0 "[ . 1 . 2]" 1
978 1 96 TRP HA 1 96 TRP HD1 3.495 . 5.190 4.426 4.200 4.556 . 0 0 "[ . 1 . 2]" 1
979 1 153 PHE QD 1 154 PHE QE 3.220 . 4.640 2.838 1.837 3.797 . 0 0 "[ . 1 . 2]" 1
980 1 81 PHE HA 1 81 PHE QD 2.730 . 3.660 2.908 2.733 3.070 . 0 0 "[ . 1 . 2]" 1
981 1 121 PHE HA 1 121 PHE QD 3.110 . 4.420 2.722 2.414 3.054 . 0 0 "[ . 1 . 2]" 1
982 1 140 TRP HA 1 140 TRP HD1 2.745 . 3.690 3.024 2.734 3.254 . 0 0 "[ . 1 . 2]" 1
983 1 112 HIS H 1 112 HIS HD2 3.425 . 5.050 5.198 5.034 5.411 0.361 10 0 "[ . 1 . 2]" 1
984 1 59 HIS HA 1 59 HIS HD2 3.100 . 4.400 4.156 3.672 4.800 0.400 20 0 "[ . 1 . 2]" 1
985 1 153 PHE QE 1 154 PHE QD 3.205 . 4.610 3.786 2.372 4.903 0.293 10 0 "[ . 1 . 2]" 1
986 1 153 PHE QD 1 154 PHE QD 3.560 . 5.320 2.374 1.800 3.709 . 0 0 "[ . 1 . 2]" 1
987 1 16 ILE HA 1 34 LEU MD2 2.945 . 4.090 2.820 2.051 4.571 0.481 20 0 "[ . 1 . 2]" 1
988 1 48 LEU HA 1 150 PHE QE 3.385 . 4.970 3.472 3.128 3.671 . 0 0 "[ . 1 . 2]" 1
989 1 20 TYR QE 1 104 SER HA 3.425 . 5.050 3.033 2.513 3.722 . 0 0 "[ . 1 . 2]" 1
990 1 97 GLY QA 1 153 PHE QE 3.650 . 4.680 4.818 4.200 5.145 0.465 5 0 "[ . 1 . 2]" 1
991 1 106 GLY QA 1 129 ILE MD 2.980 . 3.610 1.926 1.789 2.065 0.011 2 0 "[ . 1 . 2]" 1
992 1 21 LEU MD1 1 107 ALA HA 2.795 . 3.790 2.532 1.958 3.056 . 0 0 "[ . 1 . 2]" 1
993 1 21 LEU MD1 1 126 ALA HA 2.880 . 3.960 3.086 2.226 4.424 0.464 13 0 "[ . 1 . 2]" 1
994 1 21 LEU MD2 1 126 ALA HA 2.880 . 3.960 3.933 2.369 4.449 0.489 14 0 "[ . 1 . 2]" 1
995 1 16 ILE MD 1 45 LEU HA 3.535 . 5.270 4.948 4.200 5.585 0.315 18 0 "[ . 1 . 2]" 1
996 1 99 ILE MD 1 141 LEU H 3.445 . 5.090 5.401 4.793 5.661 0.571 13 7 "[ * - ** +** 2]" 1
997 1 75 GLU QG 1 121 PHE QD 3.425 . 4.440 4.504 2.707 4.942 0.502 17 1 "[ . 1 . + 2]" 1
998 1 16 ILE MG 1 147 TRP HZ3 3.650 . 5.500 3.790 3.375 4.242 . 0 0 "[ . 1 . 2]" 1
999 1 16 ILE MG 1 147 TRP HH2 3.460 . 5.120 3.415 3.168 3.942 . 0 0 "[ . 1 . 2]" 1
1000 1 16 ILE MG 1 147 TRP HZ2 3.505 . 5.210 3.600 3.268 4.155 . 0 0 "[ . 1 . 2]" 1
1001 1 16 ILE MD 1 41 GLY QA 3.020 . 3.600 2.128 1.914 2.307 . 0 0 "[ . 1 . 2]" 1
1002 1 16 ILE MD 1 37 ALA HA 3.200 . 4.600 4.962 4.452 5.136 0.536 13 4 "[ *-. 1 + . * 2]" 1
1003 1 99 ILE MG 1 147 TRP HZ3 3.480 . 5.160 4.470 3.936 5.253 0.093 17 0 "[ . 1 . 2]" 1
1004 1 99 ILE MG 1 140 TRP HZ3 3.425 . 5.050 4.721 3.897 5.233 0.183 8 0 "[ . 1 . 2]" 1
1005 1 51 VAL MG2 1 154 PHE QD 3.330 . 4.860 2.440 1.793 3.520 0.007 19 0 "[ . 1 . 2]" 1
1006 1 12 GLN QG 1 37 ALA MB 3.140 . 3.650 2.551 1.795 3.720 0.070 2 0 "[ . 1 . 2]" 1
1007 1 12 GLN QB 1 37 ALA MB 2.875 . 3.950 3.480 2.617 3.936 . 0 0 "[ . 1 . 2]" 1
1008 1 12 GLN HE21 1 37 ALA MB 3.475 . 5.150 2.652 1.821 3.978 . 0 0 "[ . 1 . 2]" 1
1009 1 12 GLN HE22 1 37 ALA MB 3.475 . 5.150 3.999 2.585 5.026 . 0 0 "[ . 1 . 2]" 1
1010 1 12 GLN HA 1 37 ALA HA 3.205 . 4.610 3.528 2.540 4.606 . 0 0 "[ . 1 . 2]" 1
1011 1 12 GLN QB 1 37 ALA HA 3.095 . 4.390 4.603 3.825 4.984 0.594 7 4 "[ -. + 1** . 2]" 1
1012 1 25 ALA HA 1 111 LYS QE 3.645 . 5.490 4.333 3.700 4.938 . 0 0 "[ . 1 . 2]" 1
1013 1 25 ALA MB 1 111 LYS HA 2.825 . 3.850 2.920 2.327 3.345 . 0 0 "[ . 1 . 2]" 1
1014 1 25 ALA MB 1 122 ILE MG 2.505 . 3.210 3.131 2.473 3.511 0.301 14 0 "[ . 1 . 2]" 1
1015 1 85 MET ME 1 132 VAL QG 2.780 . 3.250 2.257 1.782 2.515 0.018 5 0 "[ . 1 . 2]" 1
1016 1 82 SER QB 1 132 VAL QG . . 3.020 2.664 2.178 3.321 0.301 5 0 "[ . 1 . 2]" 1
1017 1 81 PHE QD 1 109 VAL MG1 3.030 . 4.260 3.938 3.488 4.359 0.099 9 0 "[ . 1 . 2]" 1
1018 1 34 LEU MD2 1 41 GLY H 3.100 . 4.400 4.697 4.101 4.975 0.575 20 2 "[- . 1 . +]" 1
1019 1 34 LEU MD2 1 41 GLY QA 3.650 . 5.500 2.643 2.078 3.494 . 0 0 "[ . 1 . 2]" 1
1020 1 19 ARG QB 1 34 LEU MD2 3.030 . 4.260 3.532 2.858 4.617 0.357 1 0 "[ . 1 . 2]" 1
1021 1 16 ILE HA 1 34 LEU MD1 2.945 . 4.090 4.032 2.543 4.577 0.487 6 0 "[ . 1 . 2]" 1
1022 1 34 LEU MD1 1 41 GLY QA 3.650 . 5.500 3.010 2.673 3.296 . 0 0 "[ . 1 . 2]" 1
1023 1 34 LEU MD1 1 45 LEU HA 3.080 . 4.360 4.391 3.678 4.923 0.563 1 2 "[+ . 1 . -]" 1
1024 1 34 LEU MD1 1 41 GLY H 3.100 . 4.400 4.837 4.690 4.945 0.545 18 3 "[ * . -1 . + 2]" 1
1025 1 34 LEU MD1 1 45 LEU H 3.565 . 5.330 3.510 3.135 4.650 . 0 0 "[ . 1 . 2]" 1
1026 1 19 ARG QB 1 34 LEU MD1 3.030 . 4.260 4.167 2.967 4.602 0.342 5 0 "[ . 1 . 2]" 1
1027 1 10 TYR QD 1 134 VAL HB 3.280 . 4.760 3.010 2.487 3.532 . 0 0 "[ . 1 . 2]" 1
1028 1 20 TYR QD 1 49 ARG QD 3.650 . 5.500 4.334 2.587 5.413 . 0 0 "[ . 1 . 2]" 1
1029 1 20 TYR QD 1 49 ARG QG 3.650 . 5.500 3.616 2.155 4.438 . 0 0 "[ . 1 . 2]" 1
1030 1 72 ILE MD 1 81 PHE QB 3.270 . 4.020 3.498 2.696 4.117 0.097 17 0 "[ . 1 . 2]" 1
1031 1 100 VAL MG2 1 150 PHE HZ 3.215 . 4.630 3.872 2.552 5.136 0.506 3 1 "[ + . 1 . 2]" 1
1032 1 100 VAL MG2 1 154 PHE QE 3.440 . 5.080 2.590 1.795 3.736 0.005 18 0 "[ . 1 . 2]" 1
1033 1 100 VAL MG2 1 154 PHE QD 3.535 . 5.270 4.161 3.406 5.362 0.092 5 0 "[ . 1 . 2]" 1
1034 1 81 PHE QD 1 109 VAL MG2 3.280 . 4.760 3.840 3.547 4.017 . 0 0 "[ . 1 . 2]" 1
1035 1 16 ILE MG 1 48 LEU QD 2.875 . 3.950 2.862 2.515 3.094 . 0 0 "[ . 1 . 2]" 1
1036 1 20 TYR QB 1 48 LEU QD 3.520 . 3.800 2.779 2.505 3.030 . 0 0 "[ . 1 . 2]" 1
1037 1 48 LEU QD 1 150 PHE QE 3.355 . 4.180 2.951 2.819 3.214 . 0 0 "[ . 1 . 2]" 1
1038 1 44 ALA MB 1 147 TRP HE3 2.865 . 3.930 2.193 1.786 2.773 0.014 16 0 "[ . 1 . 2]" 1
1039 1 44 ALA MB 1 147 TRP HZ3 3.465 . 5.130 3.494 3.305 3.974 . 0 0 "[ . 1 . 2]" 1
1040 1 16 ILE MD 1 147 TRP HH2 3.650 . 5.500 4.721 4.326 5.357 . 0 0 "[ . 1 . 2]" 1
1041 1 17 ILE MD 1 147 TRP HZ2 2.975 . 4.150 3.148 2.488 4.041 . 0 0 "[ . 1 . 2]" 1
1042 1 17 ILE MD 1 147 TRP HH2 2.995 . 4.190 3.071 2.673 3.554 . 0 0 "[ . 1 . 2]" 1
1043 1 13 SER QB 1 147 TRP HZ2 3.650 . 5.500 2.534 2.048 3.018 . 0 0 "[ . 1 . 2]" 1
1044 1 66 MET ME 1 105 PHE QE 2.840 . 3.880 3.329 2.574 4.379 0.499 18 0 "[ . 1 . 2]" 1
1045 1 21 LEU HG 1 107 ALA HA 3.215 . 4.630 4.148 1.766 5.097 0.467 15 0 "[ . 1 . 2]" 1
1046 1 21 LEU MD2 1 107 ALA HA 2.795 . 3.790 2.417 1.811 3.106 . 0 0 "[ . 1 . 2]" 1
1047 1 48 LEU QD 1 103 ILE MG 2.890 . 3.140 1.778 1.749 1.799 0.051 18 0 "[ . 1 . 2]" 1
1048 1 20 TYR QD 1 48 LEU QD 3.180 . 4.560 2.756 2.470 2.925 . 0 0 "[ . 1 . 2]" 1
1049 1 67 LEU QD 1 112 HIS QB 3.020 . 3.020 1.848 1.713 2.281 0.087 17 0 "[ . 1 . 2]" 1
1050 1 67 LEU QD 1 112 HIS HD2 3.135 . 3.720 3.419 2.547 4.106 0.386 2 0 "[ . 1 . 2]" 1
1051 1 67 LEU QD 1 108 PHE QD 3.065 . 3.520 2.451 1.950 2.921 . 0 0 "[ . 1 . 2]" 1
1052 1 84 VAL MG1 1 105 PHE QE 2.675 . 3.550 3.222 2.784 3.813 0.263 10 0 "[ . 1 . 2]" 1
1053 1 84 VAL MG2 1 105 PHE QE 2.675 . 3.550 3.821 3.301 3.963 0.413 18 0 "[ . 1 . 2]" 1
1054 1 89 PHE HZ 1 102 LEU MD1 3.105 . 4.410 3.927 2.503 4.884 0.474 19 0 "[ . 1 . 2]" 1
1055 1 89 PHE HZ 1 102 LEU MD2 3.105 . 4.410 3.614 2.594 4.901 0.491 13 0 "[ . 1 . 2]" 1
1056 1 88 VAL QG 1 102 LEU MD1 3.225 . 4.650 2.266 1.754 3.224 0.046 20 0 "[ . 1 . 2]" 1
1057 1 88 VAL QG 1 102 LEU MD2 3.225 . 4.650 2.705 1.768 3.543 0.032 18 0 "[ . 1 . 2]" 1
1058 1 89 PHE QD 1 102 LEU MD1 3.240 . 4.680 4.217 3.240 5.117 0.437 10 0 "[ . 1 . 2]" 1
1059 1 81 PHE HZ 1 129 ILE MG 3.440 . 5.080 4.950 4.524 5.377 0.297 20 0 "[ . 1 . 2]" 1
1060 1 81 PHE QD 1 129 ILE MG 3.350 . 4.900 4.351 3.520 4.796 . 0 0 "[ . 1 . 2]" 1
1061 1 81 PHE HZ 1 129 ILE MD 2.950 . 4.100 3.161 2.834 3.632 . 0 0 "[ . 1 . 2]" 1
1062 1 81 PHE QD 1 129 ILE MD 2.960 . 4.120 3.794 3.418 4.023 . 0 0 "[ . 1 . 2]" 1
1063 1 85 MET ME 1 129 ILE MG 2.525 . 3.250 2.412 2.037 2.787 . 0 0 "[ . 1 . 2]" 1
1064 1 85 MET ME 1 129 ILE MD 3.045 . 4.290 4.527 4.140 4.789 0.499 11 0 "[ . 1 . 2]" 1
1065 1 107 ALA MB 1 129 ILE MG 3.690 . 5.580 5.765 5.288 5.988 0.408 11 0 "[ . 1 . 2]" 1
1066 1 103 ILE MG 1 133 LEU QD 3.450 . 5.100 3.736 3.337 4.012 . 0 0 "[ . 1 . 2]" 1
1067 1 103 ILE HA 1 133 LEU QD 2.825 . 3.110 3.467 3.165 3.603 0.493 5 0 "[ . 1 . 2]" 1
1068 1 103 ILE MD 1 147 TRP HH2 2.950 . 4.100 2.536 1.915 3.270 . 0 0 "[ . 1 . 2]" 1
1069 1 103 ILE MD 1 147 TRP HZ3 3.385 . 4.970 3.453 2.889 4.018 . 0 0 "[ . 1 . 2]" 1
1070 1 48 LEU QD 1 103 ILE HB 3.165 . 3.840 2.521 2.168 2.763 . 0 0 "[ . 1 . 2]" 1
1071 1 20 TYR QE 1 49 ARG QG 3.625 . 4.720 2.255 1.796 2.961 0.004 12 0 "[ . 1 . 2]" 1
1072 1 20 TYR QE 1 49 ARG HA 3.300 . 4.800 2.238 1.760 3.335 0.040 9 0 "[ . 1 . 2]" 1
1073 1 17 ILE MG 1 130 THR H 3.055 . 4.310 3.508 3.126 3.696 . 0 0 "[ . 1 . 2]" 1
1074 1 17 ILE MD 1 130 THR H 3.170 . 4.540 3.816 3.514 4.030 . 0 0 "[ . 1 . 2]" 1
1075 1 17 ILE MG 1 126 ALA MB 2.755 . 3.710 2.861 2.249 3.201 . 0 0 "[ . 1 . 2]" 1
1076 1 17 ILE MG 1 126 ALA HA 2.990 . 4.180 3.480 2.857 3.787 . 0 0 "[ . 1 . 2]" 1
1077 1 16 ILE MG 1 45 LEU MD2 3.090 . 4.380 3.773 1.791 4.564 0.184 19 0 "[ . 1 . 2]" 1
1078 1 43 ARG QB 1 151 VAL MG2 3.325 . 4.850 2.440 2.072 3.055 . 0 0 "[ . 1 . 2]" 1
1079 1 10 TYR QE 1 131 ASP HA 2.795 . 3.790 2.052 1.746 2.499 0.054 5 0 "[ . 1 . 2]" 1
1080 1 9 LEU MD1 1 147 TRP HD1 3.070 . 4.340 4.520 3.670 4.821 0.481 11 0 "[ . 1 . 2]" 1
1081 1 16 ILE MG 1 41 GLY QA 3.430 . 4.390 3.809 3.512 4.242 . 0 0 "[ . 1 . 2]" 1
1082 1 16 ILE MG 1 44 ALA HA 3.335 . 4.870 5.011 4.448 5.379 0.509 8 1 "[ . + 1 . 2]" 1
1083 1 10 TYR QD 1 134 VAL MG1 2.920 . 4.040 2.501 1.937 3.071 . 0 0 "[ . 1 . 2]" 1
1084 1 13 SER QB 1 134 VAL MG2 3.020 . 4.240 2.458 2.187 3.007 . 0 0 "[ . 1 . 2]" 1
1085 1 10 TYR QE 1 130 THR MG 3.205 . 4.610 3.386 2.435 4.023 . 0 0 "[ . 1 . 2]" 1
1086 1 81 PHE QE 1 125 LEU MD1 3.650 . 5.500 3.296 3.023 4.346 . 0 0 "[ . 1 . 2]" 1
1087 1 81 PHE QD 1 125 LEU MD1 3.520 . 5.240 3.024 2.610 4.149 . 0 0 "[ . 1 . 2]" 1
1088 1 81 PHE QE 1 125 LEU MD2 3.650 . 5.500 4.821 3.222 5.360 . 0 0 "[ . 1 . 2]" 1
1089 1 81 PHE QD 1 125 LEU MD2 3.520 . 5.240 4.205 2.893 4.691 . 0 0 "[ . 1 . 2]" 1
1090 1 78 VAL HA 1 125 LEU MD1 3.135 . 4.470 3.487 2.639 4.162 . 0 0 "[ . 1 . 2]" 1
1091 1 78 VAL HA 1 125 LEU MD2 3.135 . 4.470 3.274 2.414 4.932 0.462 17 0 "[ . 1 . 2]" 1
1092 1 16 ILE MG 1 45 LEU HA 3.030 . 4.260 3.105 2.337 3.451 . 0 0 "[ . 1 . 2]" 1
1093 1 20 TYR QE 1 107 ALA MB 2.870 . 3.940 2.233 1.847 2.619 . 0 0 "[ . 1 . 2]" 1
1094 1 113 LEU MD1 1 121 PHE QB 2.865 . 3.930 2.459 1.993 2.766 . 0 0 "[ . 1 . 2]" 1
1095 1 16 ILE HA 1 37 ALA MB 3.200 . 4.600 4.291 3.513 4.992 0.392 10 0 "[ . 1 . 2]" 1
1096 1 12 GLN QG 1 37 ALA HA 3.220 . 4.640 3.100 2.480 3.793 . 0 0 "[ . 1 . 2]" 1
1097 1 12 GLN HA 1 37 ALA MB 2.815 . 3.830 2.914 2.313 3.854 0.024 18 0 "[ . 1 . 2]" 1
1098 1 25 ALA HA 1 111 LYS HA 2.940 . 4.080 2.115 1.790 2.488 0.010 11 0 "[ . 1 . 2]" 1
1099 1 21 LEU MD1 1 107 ALA MB 2.690 . 3.580 3.391 2.319 4.005 0.425 14 0 "[ . 1 . 2]" 1
1100 1 21 LEU MD2 1 107 ALA MB 2.690 . 3.580 2.699 2.139 3.985 0.405 13 0 "[ . 1 . 2]" 1
1101 1 21 LEU MD1 1 126 ALA MB 2.695 . 3.590 2.462 1.794 3.895 0.305 13 0 "[ . 1 . 2]" 1
1102 1 21 LEU MD2 1 126 ALA MB 2.695 . 3.590 3.439 1.891 3.987 0.397 9 0 "[ . 1 . 2]" 1
1103 1 48 LEU QD 1 104 SER H 3.255 . 4.000 4.238 3.903 4.416 0.416 9 0 "[ . 1 . 2]" 1
1104 1 48 LEU QD 1 103 ILE MD 2.655 . 3.040 1.876 1.763 2.137 0.037 5 0 "[ . 1 . 2]" 1
1105 1 85 MET ME 1 136 THR MG 2.845 . 3.890 3.906 3.502 4.423 0.533 11 1 "[ . 1+ . 2]" 1
1106 1 85 MET ME 1 102 LEU MD2 2.525 . 3.250 2.495 1.797 3.612 0.362 18 0 "[ . 1 . 2]" 1
1107 1 85 MET ME 1 136 THR HB 3.420 . 5.040 5.248 4.341 5.651 0.611 5 10 "[****+* * *-* 2]" 1
1108 1 85 MET ME 1 134 VAL H 3.375 . 4.950 4.669 4.354 5.153 0.203 16 0 "[ . 1 . 2]" 1
1109 1 89 PHE QD 1 102 LEU MD2 3.240 . 4.680 3.954 3.271 5.139 0.459 16 0 "[ . 1 . 2]" 1
1110 1 34 LEU MD2 1 45 LEU H 3.565 . 5.330 4.325 3.557 5.468 0.138 3 0 "[ . 1 . 2]" 1
1111 1 16 ILE MD 1 34 LEU MD2 3.235 . 4.670 3.175 2.662 4.510 . 0 0 "[ . 1 . 2]" 1
1112 1 85 MET ME 1 129 ILE HA 2.640 . 3.480 2.543 1.930 3.073 . 0 0 "[ . 1 . 2]" 1
1113 1 20 TYR QB 1 103 ILE MG 3.500 . 5.200 3.636 3.112 4.095 . 0 0 "[ . 1 . 2]" 1
1114 1 17 ILE HA 1 103 ILE MG 3.250 . 4.700 3.518 3.236 3.773 . 0 0 "[ . 1 . 2]" 1
1115 1 134 VAL MG1 1 141 LEU MD1 3.085 . 4.370 3.839 1.860 4.790 0.420 15 0 "[ . 1 . 2]" 1
1116 1 134 VAL MG2 1 141 LEU MD2 3.085 . 4.370 2.517 2.139 2.992 . 0 0 "[ . 1 . 2]" 1
1117 1 134 VAL MG2 1 141 LEU MD1 3.085 . 4.370 3.894 3.043 4.646 0.276 15 0 "[ . 1 . 2]" 1
1118 1 134 VAL HB 1 141 LEU MD2 3.130 . 4.460 4.636 3.989 4.991 0.531 17 4 "[ -. * 1 *. + 2]" 1
1119 1 134 VAL HA 1 141 LEU MD2 3.270 . 4.740 2.689 1.861 3.408 . 0 0 "[ . 1 . 2]" 1
1120 1 134 VAL HA 1 141 LEU MD1 3.270 . 4.740 3.670 2.122 5.258 0.518 17 1 "[ . 1 . + 2]" 1
1121 1 16 ILE MD 1 34 LEU MD1 3.235 . 4.670 3.993 2.951 4.510 . 0 0 "[ . 1 . 2]" 1
1122 1 20 TYR QB 1 45 LEU MD1 3.385 . 4.970 2.236 1.805 3.986 . 0 0 "[ . 1 . 2]" 1
1123 1 20 TYR HA 1 45 LEU MD1 3.150 . 4.500 2.706 2.166 4.050 . 0 0 "[ . 1 . 2]" 1
1124 1 16 ILE MG 1 45 LEU MD1 3.090 . 4.380 2.568 1.885 4.216 . 0 0 "[ . 1 . 2]" 1
1125 1 9 LEU MD2 1 147 TRP HD1 3.070 . 4.340 2.903 2.286 3.603 . 0 0 "[ . 1 . 2]" 1
1126 1 134 VAL MG1 1 141 LEU MD2 3.085 . 4.370 2.810 2.004 3.332 . 0 0 "[ . 1 . 2]" 1
1127 1 51 VAL MG1 1 154 PHE QD 3.330 . 4.860 3.484 2.212 4.310 . 0 0 "[ . 1 . 2]" 1
1128 1 44 ALA MB 1 151 VAL MG2 3.050 . 4.300 3.293 2.201 4.324 0.024 4 0 "[ . 1 . 2]" 1
1129 1 44 ALA MB 1 151 VAL MG1 3.050 . 4.300 3.515 2.290 4.574 0.274 6 0 "[ . 1 . 2]" 1
1130 1 44 ALA HA 1 151 VAL MG1 2.810 . 3.820 2.964 1.784 4.253 0.433 9 0 "[ . 1 . 2]" 1
1131 1 16 ILE MG 1 34 LEU MD2 3.125 . 4.450 3.220 2.272 4.221 . 0 0 "[ . 1 . 2]" 1
1132 1 16 ILE MG 1 34 LEU MD1 3.125 . 4.450 3.623 2.469 4.203 . 0 0 "[ . 1 . 2]" 1
1133 1 34 LEU MD2 1 45 LEU MD1 3.350 . 4.900 3.238 2.084 4.876 . 0 0 "[ . 1 . 2]" 1
1134 1 34 LEU MD1 1 45 LEU MD1 3.350 . 4.900 3.046 1.903 4.463 . 0 0 "[ . 1 . 2]" 1
1135 1 34 LEU MD2 1 45 LEU MD2 3.350 . 4.900 3.179 1.820 4.631 . 0 0 "[ . 1 . 2]" 1
1136 1 34 LEU MD1 1 45 LEU MD2 3.350 . 4.900 2.163 1.824 3.456 . 0 0 "[ . 1 . 2]" 1
1137 1 47 THR MG 1 154 PHE QB 2.885 . 3.490 1.945 1.760 2.376 0.040 2 0 "[ . 1 . 2]" 1
1138 1 47 THR MG 1 154 PHE QD 2.870 . 3.940 2.373 1.986 2.996 . 0 0 "[ . 1 . 2]" 1
1139 1 113 LEU MD2 1 121 PHE QB 2.865 . 3.930 2.222 1.869 2.835 . 0 0 "[ . 1 . 2]" 1
1140 1 78 VAL HB 1 125 LEU MD2 3.560 . 5.320 4.470 4.053 5.463 0.143 17 0 "[ . 1 . 2]" 1
1141 1 78 VAL HB 1 125 LEU MD1 3.560 . 5.320 5.218 2.811 5.859 0.539 9 4 "[ * +* - 2]" 1
1142 1 85 MET ME 1 132 VAL HB 3.095 . 4.390 2.445 1.918 4.530 0.140 16 0 "[ . 1 . 2]" 1
1143 1 100 VAL MG1 1 150 PHE QE 3.240 . 4.680 2.650 1.774 3.834 0.026 3 0 "[ . 1 . 2]" 1
1144 1 25 ALA MB 1 122 ILE HB 3.650 . 5.500 5.035 4.346 5.384 . 0 0 "[ . 1 . 2]" 1
1145 1 25 ALA MB 1 122 ILE MD 2.520 . 3.240 2.514 2.088 2.763 . 0 0 "[ . 1 . 2]" 1
1146 1 25 ALA MB 1 111 LYS QE 3.390 . 4.980 5.261 4.698 5.511 0.531 20 6 "[ -* * 1 *. * +]" 1
1147 1 110 ALA MB 1 129 ILE MD 2.930 . 4.060 4.379 3.987 4.577 0.517 17 2 "[ . 1 -. + 2]" 1
1148 1 88 VAL HB 1 102 LEU MD1 2.975 . 4.150 2.814 2.179 3.416 . 0 0 "[ . 1 . 2]" 1
1149 1 88 VAL HB 1 102 LEU MD2 2.975 . 4.150 3.049 2.238 3.563 . 0 0 "[ . 1 . 2]" 1
1150 1 13 SER HA 1 147 TRP HE1 3.205 . 4.610 2.129 1.772 2.839 0.028 5 0 "[ . 1 . 2]" 1
1151 1 16 ILE MD 1 42 ARG H 3.280 . 4.760 5.043 4.725 5.273 0.513 17 1 "[ . 1 . + 2]" 1
1152 1 20 TYR QD 1 107 ALA MB 2.885 . 3.970 3.085 2.658 3.459 . 0 0 "[ . 1 . 2]" 1
1153 1 100 VAL MG2 1 150 PHE QE 3.240 . 4.680 3.083 1.772 4.106 0.028 10 0 "[ . 1 . 2]" 1
1154 1 48 LEU QB 1 150 PHE QE 3.645 . 4.700 2.597 2.308 2.746 . 0 0 "[ . 1 . 2]" 1
1155 1 48 LEU QD 1 150 PHE HZ 3.040 . 3.760 2.424 1.797 3.099 0.003 17 0 "[ . 1 . 2]" 1
1156 1 20 TYR QE 1 48 LEU HG 3.080 . 4.360 3.749 3.301 4.138 . 0 0 "[ . 1 . 2]" 1
1157 1 100 VAL MG1 1 150 PHE HZ 3.215 . 4.630 3.184 2.527 3.925 . 0 0 "[ . 1 . 2]" 1
1158 1 10 TYR QE 1 134 VAL MG2 3.095 . 4.390 4.064 3.545 4.612 0.222 7 0 "[ . 1 . 2]" 1
1159 1 10 TYR QE 1 134 VAL MG1 3.095 . 4.390 4.067 3.004 4.855 0.465 8 0 "[ . 1 . 2]" 1
1160 1 13 SER HG 1 134 VAL MG2 3.240 . 4.680 2.808 2.330 3.073 . 0 0 "[ . 1 . 2]" 1
1161 1 13 SER HG 1 134 VAL MG1 3.240 . 4.680 3.836 3.422 4.314 . 0 0 "[ . 1 . 2]" 1
1162 1 20 TYR HA 1 45 LEU MD2 3.150 . 4.500 3.836 2.406 4.716 0.216 14 0 "[ . 1 . 2]" 1
1163 1 20 TYR QB 1 45 LEU MD2 3.385 . 4.970 3.892 1.814 4.924 . 0 0 "[ . 1 . 2]" 1
1164 1 55 VAL MG2 1 104 SER QB 3.300 . 4.800 3.676 2.426 4.475 . 0 0 "[ . 1 . 2]" 1
1165 1 55 VAL MG1 1 104 SER QB 3.300 . 4.800 4.073 3.252 4.663 . 0 0 "[ . 1 . 2]" 1
1166 1 103 ILE MD 1 147 TRP HZ2 3.280 . 4.760 4.207 3.466 4.992 0.232 17 0 "[ . 1 . 2]" 1
1167 1 78 VAL MG2 1 124 PRO QB 3.775 . 5.750 3.310 2.538 3.881 . 0 0 "[ . 1 . 2]" 1
1168 1 78 VAL HB 1 128 THR MG 3.560 . 5.320 4.072 1.775 4.791 0.025 4 0 "[ . 1 . 2]" 1
1169 1 78 VAL MG2 1 128 THR HB 3.260 . 4.720 4.503 3.635 5.216 0.496 18 0 "[ . 1 . 2]" 1
1170 1 9 LEU MD1 1 141 LEU MD2 3.050 . 4.300 2.085 1.793 3.183 0.007 18 0 "[ . 1 . 2]" 1
1171 1 9 LEU MD1 1 141 LEU MD1 3.050 . 4.300 3.410 1.807 4.175 . 0 0 "[ . 1 . 2]" 1
1172 1 9 LEU MD2 1 141 LEU MD2 3.050 . 4.300 3.309 2.334 4.779 0.479 5 0 "[ . 1 . 2]" 1
1173 1 9 LEU MD2 1 141 LEU MD1 3.050 . 4.300 4.358 2.307 4.817 0.517 9 1 "[ . +1 . 2]" 1
1174 1 9 LEU MD2 1 141 LEU QB 3.800 . 5.800 3.288 2.458 4.461 . 0 0 "[ . 1 . 2]" 1
1175 1 9 LEU MD1 1 141 LEU QB 3.800 . 5.800 2.893 2.188 4.059 . 0 0 "[ . 1 . 2]" 1
1176 1 9 LEU MD2 1 147 TRP H 3.565 . 5.330 2.801 1.782 3.659 0.018 20 0 "[ . 1 . 2]" 1
1177 1 9 LEU MD1 1 147 TRP H 3.565 . 5.330 4.692 3.606 5.302 . 0 0 "[ . 1 . 2]" 1
1178 1 17 ILE MD 1 130 THR HB 2.965 . 4.130 3.766 2.740 3.956 . 0 0 "[ . 1 . 2]" 1
1179 1 17 ILE MD 1 130 THR HA 3.015 . 4.230 2.406 1.885 2.766 . 0 0 "[ . 1 . 2]" 1
1180 1 17 ILE MD 1 130 THR MG 2.660 . 3.520 1.922 1.767 3.696 0.176 2 0 "[ . 1 . 2]" 1
1181 1 51 VAL HB 1 100 VAL MG1 3.650 . 5.500 3.216 1.942 5.172 . 0 0 "[ . 1 . 2]" 1
1182 1 51 VAL HB 1 100 VAL MG2 3.650 . 5.500 3.375 1.976 4.184 . 0 0 "[ . 1 . 2]" 1
1183 1 47 THR HB 1 150 PHE QE 3.650 . 5.500 2.527 2.110 2.884 . 0 0 "[ . 1 . 2]" 1
1184 1 47 THR MG 1 150 PHE QD 3.090 . 4.380 4.028 3.372 4.821 0.441 16 0 "[ . 1 . 2]" 1
1185 1 47 THR MG 1 150 PHE HZ 2.915 . 4.030 2.919 2.607 3.614 . 0 0 "[ . 1 . 2]" 1
1186 1 47 THR MG 1 150 PHE QE 2.920 . 4.040 3.119 2.784 3.782 . 0 0 "[ . 1 . 2]" 1
1187 1 48 LEU HG 1 150 PHE HZ 3.515 . 5.230 4.460 4.120 4.846 . 0 0 "[ . 1 . 2]" 1
1188 1 20 TYR QD 1 48 LEU HG 3.650 . 5.500 4.252 3.585 4.677 . 0 0 "[ . 1 . 2]" 1
1189 1 113 LEU H 1 122 ILE MD 3.445 . 5.090 4.307 3.829 4.631 . 0 0 "[ . 1 . 2]" 1
1190 1 72 ILE MD 1 109 VAL MG2 2.910 . 4.020 3.740 3.371 4.053 0.033 4 0 "[ . 1 . 2]" 1
1191 1 21 LEU MD2 1 110 ALA MB 2.575 . 3.350 3.116 1.979 3.736 0.386 10 0 "[ . 1 . 2]" 1
1192 1 21 LEU MD1 1 110 ALA MB 2.575 . 3.350 2.247 1.795 3.722 0.372 4 0 "[ . 1 . 2]" 1
1193 1 63 PHE QD 1 105 PHE HA 3.110 . 4.420 3.138 2.784 3.909 . 0 0 "[ . 1 . 2]" 1
1194 1 55 VAL MG1 1 101 THR HA 2.910 . 4.020 3.978 3.379 4.493 0.473 1 0 "[ . 1 . 2]" 1
1195 1 55 VAL MG2 1 101 THR HA 2.910 . 4.020 3.872 2.983 4.475 0.455 10 0 "[ . 1 . 2]" 1
1196 1 78 VAL HA 1 128 THR MG 3.145 . 4.490 4.137 3.537 4.784 0.294 8 0 "[ . 1 . 2]" 1
1197 1 81 PHE QD 1 128 THR MG 2.925 . 4.050 4.260 3.800 4.481 0.431 17 0 "[ . 1 . 2]" 1
1198 1 78 VAL MG1 1 128 THR MG 3.055 . 4.310 2.226 1.785 3.514 0.015 13 0 "[ . 1 . 2]" 1
1199 1 78 VAL MG2 1 128 THR MG 3.055 . 4.310 3.905 2.383 4.715 0.405 20 0 "[ . 1 . 2]" 1
1200 1 85 MET ME 1 128 THR MG 3.150 . 4.500 4.518 4.011 4.959 0.459 5 0 "[ . 1 . 2]" 1
1201 1 17 ILE MG 1 127 GLU HA 3.125 . 4.450 4.929 4.772 5.027 0.577 4 5 "[ * +* 1 -. * 2]" 1
1202 1 70 LEU QD 1 84 VAL MG2 2.940 . 4.080 2.098 1.792 2.398 0.008 1 0 "[ . 1 . 2]" 1
1203 1 70 LEU QD 1 84 VAL MG1 2.940 . 4.080 2.984 2.604 3.805 . 0 0 "[ . 1 . 2]" 1
1204 1 13 SER HA 1 147 TRP HZ2 3.125 . 4.450 1.944 1.768 2.585 0.032 4 0 "[ . 1 . 2]" 1
1205 1 72 ILE MG 1 121 PHE QB 3.355 . 4.910 2.311 1.866 2.827 . 0 0 "[ . 1 . 2]" 1
1206 1 72 ILE MG 1 81 PHE QD 3.320 . 4.840 5.176 4.566 5.354 0.514 2 2 "[ + . 1 . -]" 1
1207 1 72 ILE MG 1 121 PHE QE 2.820 . 3.840 4.028 3.714 4.277 0.437 5 0 "[ . 1 . 2]" 1
1208 1 13 SER QB 1 130 THR MG 3.170 . 3.790 2.413 2.043 4.193 0.403 2 0 "[ . 1 . 2]" 1
1209 1 10 TYR QD 1 134 VAL MG2 2.920 . 4.040 2.947 2.372 3.526 . 0 0 "[ . 1 . 2]" 1
1210 1 10 TYR QE 1 134 VAL HB 3.390 . 4.980 3.527 2.772 4.493 . 0 0 "[ . 1 . 2]" 1
1211 1 94 THR MG 1 140 TRP HZ2 3.410 . 5.020 4.416 3.848 5.062 0.042 13 0 "[ . 1 . 2]" 1
1212 1 94 THR MG 1 137 LYS QD 3.215 . 3.810 2.635 1.787 4.001 0.191 10 0 "[ . 1 . 2]" 1
1213 1 85 MET HA 1 102 LEU MD2 3.110 . 4.420 2.561 2.155 3.426 . 0 0 "[ . 1 . 2]" 1
1214 1 85 MET HA 1 102 LEU MD1 3.110 . 4.420 2.600 1.867 3.101 . 0 0 "[ . 1 . 2]" 1
1215 1 78 VAL MG1 1 128 THR HB 3.260 . 4.720 3.078 2.715 3.610 . 0 0 "[ . 1 . 2]" 1
1216 1 72 ILE MD 1 78 VAL HA 2.905 . 4.010 3.851 2.922 4.431 0.421 14 0 "[ . 1 . 2]" 1
1217 1 75 GLU QG 1 121 PHE QE 3.425 . 4.440 4.152 2.413 4.890 0.450 14 0 "[ . 1 . 2]" 1
1218 1 20 TYR QE 1 103 ILE MG 3.040 . 4.280 2.573 1.906 3.592 . 0 0 "[ . 1 . 2]" 1
1219 1 9 LEU MD1 1 134 VAL HB 2.985 . 4.170 4.284 4.008 4.600 0.430 3 0 "[ . 1 . 2]" 1
1220 1 9 LEU HG 1 134 VAL MG2 3.000 . 4.200 4.661 4.625 4.693 0.493 20 0 "[ . 1 . 2]" 1
1221 1 9 LEU HG 1 134 VAL MG1 3.000 . 4.200 4.109 3.683 4.621 0.421 20 0 "[ . 1 . 2]" 1
1222 1 43 ARG QB 1 151 VAL MG1 3.325 . 4.850 2.218 1.857 2.851 . 0 0 "[ . 1 . 2]" 1
1223 1 78 VAL MG1 1 124 PRO QB 3.775 . 5.750 3.680 2.578 4.419 . 0 0 "[ . 1 . 2]" 1
1224 1 63 PHE QE 1 105 PHE HA 3.140 . 4.480 2.387 1.888 3.398 . 0 0 "[ . 1 . 2]" 1
1225 1 20 TYR QD 1 104 SER HA 3.265 . 4.730 5.104 4.666 5.289 0.559 13 8 "[ .****1 +-. * *2]" 1
1226 1 89 PHE QD 1 137 LYS QE 3.500 . 5.200 4.185 2.726 5.728 0.528 9 1 "[ . +1 . 2]" 1
1227 1 94 THR MG 1 137 LYS QE 3.290 . 4.030 3.569 2.440 4.440 0.410 2 0 "[ . 1 . 2]" 1
1228 1 67 LEU QD 1 109 VAL MG1 3.200 . 3.600 3.085 2.631 3.562 . 0 0 "[ . 1 . 2]" 1
1229 1 67 LEU QD 1 109 VAL MG2 2.700 . 3.600 2.056 1.935 2.266 . 0 0 "[ . 1 . 2]" 1
1230 1 20 TYR QD 1 103 ILE MD 3.650 . 5.500 4.685 4.330 5.352 . 0 0 "[ . 1 . 2]" 1
1231 1 20 TYR QD 1 103 ILE MG 2.890 . 3.980 2.434 1.850 3.029 . 0 0 "[ . 1 . 2]" 1
1232 1 16 ILE MG 1 103 ILE MD 3.520 . 5.240 4.397 3.895 4.783 . 0 0 "[ . 1 . 2]" 1
1233 1 81 PHE QE 1 129 ILE MD 3.165 . 4.530 2.601 2.265 2.924 . 0 0 "[ . 1 . 2]" 1
1234 1 81 PHE QE 1 129 ILE MG 3.650 . 5.500 3.398 3.216 3.724 . 0 0 "[ . 1 . 2]" 1
1235 1 81 PHE QD 1 129 ILE QG 3.495 . 4.570 2.810 2.445 3.068 . 0 0 "[ . 1 . 2]" 1
1236 1 106 GLY H 1 129 ILE MD 2.950 . 4.100 3.680 3.479 3.878 . 0 0 "[ . 1 . 2]" 1
1237 1 48 LEU HG 1 150 PHE QE 3.170 . 4.540 5.011 4.901 5.046 0.506 2 2 "[ + . 1 . -2]" 1
1238 1 21 LEU QB 1 107 ALA HA 3.615 . 5.430 4.168 3.786 4.555 . 0 0 "[ . 1 . 2]" 1
1239 1 81 PHE QB 1 128 THR MG 3.045 . 3.680 3.713 3.375 4.073 0.393 12 0 "[ . 1 . 2]" 1
1240 1 64 GLN QB 1 108 PHE QE 3.425 . 5.050 3.920 2.590 5.085 0.035 11 0 "[ . 1 . 2]" 1
1241 1 64 GLN QG 1 108 PHE QE 2.875 . 3.950 2.726 1.789 4.418 0.468 3 0 "[ . 1 . 2]" 1
1242 1 94 THR MG 1 140 TRP HH2 3.245 . 4.690 4.270 3.592 5.248 0.558 13 1 "[ . 1 + . 2]" 1
1243 1 99 ILE MD 1 140 TRP HH2 2.895 . 3.990 3.587 3.025 4.040 0.050 19 0 "[ . 1 . 2]" 1
1244 1 100 VAL MG1 1 154 PHE QD 3.535 . 5.270 4.130 2.752 5.590 0.320 14 0 "[ . 1 . 2]" 1
1245 1 81 PHE QD 1 129 ILE HA 3.370 . 4.940 4.145 3.733 4.618 . 0 0 "[ . 1 . 2]" 1
1246 1 100 VAL HB 1 154 PHE QE 3.190 . 4.580 4.148 3.459 4.938 0.358 14 0 "[ . 1 . 2]" 1
1247 1 100 VAL MG1 1 154 PHE QE 3.440 . 5.080 2.985 2.174 4.382 . 0 0 "[ . 1 . 2]" 1
1248 1 17 ILE HA 1 48 LEU QD 3.525 . 4.630 3.469 2.911 3.775 . 0 0 "[ . 1 . 2]" 1
1249 1 48 LEU QD 1 100 VAL HA 3.220 . 3.940 2.453 2.106 3.053 . 0 0 "[ . 1 . 2]" 1
1250 1 67 LEU QD 1 110 ALA H 3.465 . 5.130 4.503 4.273 4.734 . 0 0 "[ . 1 . 2]" 1
1251 1 51 VAL MG2 1 154 PHE QE 3.020 . 4.240 2.528 1.798 3.549 0.002 11 0 "[ . 1 . 2]" 1
1252 1 51 VAL MG1 1 154 PHE QE 3.020 . 4.240 2.301 1.790 3.353 0.010 18 0 "[ . 1 . 2]" 1
1253 1 72 ILE MD 1 81 PHE QD 3.205 . 4.610 2.585 2.298 2.859 . 0 0 "[ . 1 . 2]" 1
1254 1 48 LEU HA 1 150 PHE HZ 3.210 . 4.620 2.375 1.938 2.860 . 0 0 "[ . 1 . 2]" 1
1255 1 9 LEU HA 1 147 TRP HE1 3.650 . 5.500 4.514 3.901 5.233 . 0 0 "[ . 1 . 2]" 1
1256 1 10 TYR QD 1 130 THR MG 3.195 . 4.590 3.657 2.976 4.819 0.229 2 0 "[ . 1 . 2]" 1
1257 1 13 SER HG 1 130 THR MG 3.270 . 4.740 3.748 3.118 5.247 0.507 2 1 "[ + . 1 . 2]" 1
1258 1 16 ILE MD 1 44 ALA HA 3.650 . 5.500 5.074 4.257 5.551 0.051 10 0 "[ . 1 . 2]" 1
1259 1 44 ALA HA 1 150 PHE QD 3.555 . 5.310 2.789 2.186 3.266 . 0 0 "[ . 1 . 2]" 1
1260 1 44 ALA HA 1 150 PHE QE 2.970 . 4.140 2.697 2.102 3.543 . 0 0 "[ . 1 . 2]" 1
1261 1 16 ILE MG 1 44 ALA MB 2.625 . 3.450 2.823 2.422 3.198 . 0 0 "[ . 1 . 2]" 1
1262 1 16 ILE MD 1 44 ALA MB 2.575 . 3.350 2.426 1.851 2.791 . 0 0 "[ . 1 . 2]" 1
1263 1 44 ALA MB 1 150 PHE QE 2.880 . 3.960 3.192 2.540 4.363 0.403 5 0 "[ . 1 . 2]" 1
1264 1 40 ALA MB 1 147 TRP QB 2.900 . 3.390 2.864 2.415 3.311 . 0 0 "[ . 1 . 2]" 1
1265 1 20 TYR HH 1 53 ASP HA 3.340 . 4.880 4.516 3.348 5.372 0.492 16 0 "[ . 1 . 2]" 1
1266 1 20 TYR HH 1 52 GLY QA 3.340 . 4.150 2.923 2.088 3.824 . 0 0 "[ . 1 . 2]" 1
1267 1 72 ILE MD 1 109 VAL MG1 2.910 . 4.020 2.838 2.459 3.134 . 0 0 "[ . 1 . 2]" 1
1268 1 85 MET ME 1 131 ASP H 3.650 . 5.500 5.330 4.952 5.770 0.270 11 0 "[ . 1 . 2]" 1
1269 1 94 THR MG 1 137 LYS HA 3.570 . 5.340 4.761 4.210 5.658 0.318 2 0 "[ . 1 . 2]" 1
1270 1 20 TYR HH 1 103 ILE MG 3.650 . 5.500 4.949 3.981 5.926 0.426 18 0 "[ . 1 . 2]" 1
1271 1 16 ILE MG 1 103 ILE MG 3.650 . 5.500 4.612 4.218 4.892 . 0 0 "[ . 1 . 2]" 1
1272 1 21 LEU HA 1 107 ALA HA 3.625 . 5.450 3.208 2.872 3.474 . 0 0 "[ . 1 . 2]" 1
1273 1 21 LEU HA 1 107 ALA MB 2.865 . 3.930 3.310 2.950 3.660 . 0 0 "[ . 1 . 2]" 1
1274 1 81 PHE QD 1 129 ILE HB 3.650 . 5.500 5.710 5.370 5.987 0.487 1 0 "[ . 1 . 2]" 1
1275 1 94 THR MG 1 137 LYS QG 3.650 . 4.840 2.419 1.798 3.633 0.002 14 0 "[ . 1 . 2]" 1
1276 1 94 THR MG 1 140 TRP HD1 3.460 . 5.120 4.407 3.408 4.995 . 0 0 "[ . 1 . 2]" 1
1277 1 94 THR MG 1 140 TRP HA 3.650 . 5.500 5.294 4.837 6.101 0.601 13 1 "[ . 1 + . 2]" 1
1278 1 96 TRP HE1 1 150 PHE HA 3.650 . 5.500 3.652 2.797 4.469 . 0 0 "[ . 1 . 2]" 1
1279 1 67 LEU HA 1 105 PHE QE 3.500 . 5.200 3.069 2.587 3.603 . 0 0 "[ . 1 . 2]" 1
1280 1 63 PHE HA 1 105 PHE QE 3.325 . 4.850 3.648 2.966 4.665 . 0 0 "[ . 1 . 2]" 1
1281 1 63 PHE HZ 1 101 THR MG 3.485 . 5.170 2.439 2.071 2.990 . 0 0 "[ . 1 . 2]" 1
1282 1 63 PHE QE 1 101 THR MG 3.010 . 4.220 3.197 2.693 3.502 . 0 0 "[ . 1 . 2]" 1
1283 1 63 PHE QD 1 101 THR MG 3.225 . 4.650 4.912 4.530 5.171 0.521 14 1 "[ . 1 +. 2]" 1
1284 1 100 VAL HA 1 150 PHE QE 3.650 . 5.500 4.635 3.827 5.404 . 0 0 "[ . 1 . 2]" 1
1285 1 47 THR HB 1 150 PHE QD 3.650 . 5.500 3.979 3.430 4.430 . 0 0 "[ . 1 . 2]" 1
1286 1 89 PHE HZ 1 99 ILE QG 3.650 . 5.500 2.404 1.797 4.198 0.003 15 0 "[ . 1 . 2]" 1
1287 1 89 PHE QE 1 137 LYS QE 3.650 . 5.500 4.884 2.225 6.076 0.576 19 4 "[* . - *. +2]" 1
1288 1 72 ILE MD 1 81 PHE HZ 3.385 . 4.970 5.212 4.892 5.500 0.530 18 3 "[ . 1- .* + 2]" 1
1289 1 94 THR HB 1 140 TRP HD1 3.650 . 5.500 3.783 2.793 5.124 . 0 0 "[ . 1 . 2]" 1
1290 1 16 ILE MG 1 147 TRP HE3 3.455 . 5.110 4.115 3.681 4.691 . 0 0 "[ . 1 . 2]" 1
1291 1 16 ILE MD 1 147 TRP HE3 3.360 . 4.920 4.066 3.528 4.496 . 0 0 "[ . 1 . 2]" 1
1292 1 95 ASN HA 1 140 TRP HH2 3.505 . 5.210 3.527 2.764 4.262 . 0 0 "[ . 1 . 2]" 1
1293 1 16 ILE HB 1 147 TRP HZ2 3.570 . 5.340 3.238 2.795 3.722 . 0 0 "[ . 1 . 2]" 1
1294 1 16 ILE MG 1 44 ALA H 3.340 . 4.880 5.167 4.901 5.427 0.547 9 1 "[ . +1 . 2]" 1
1295 1 15 GLU H 1 37 ALA MB 3.530 . 5.260 4.913 3.861 5.612 0.352 10 0 "[ . 1 . 2]" 1
1296 1 40 ALA MB 1 147 TRP H 3.145 . 4.490 4.811 4.357 5.035 0.545 17 3 "[ *. 1 - . + 2]" 1
1297 1 9 LEU QD 1 141 LEU QB 2.610 . 3.420 2.690 2.073 3.766 0.346 17 0 "[ . 1 . 2]" 1
1298 1 9 LEU QD 1 141 LEU QD 2.410 . 3.020 1.870 1.765 2.687 0.035 8 0 "[ . 1 . 2]" 1
1299 1 9 LEU QD 1 146 GLY QA 3.315 . 4.830 2.110 1.733 3.051 0.067 2 0 "[ . 1 . 2]" 1
1300 1 9 LEU QD 1 147 TRP H 2.995 . 4.190 2.778 1.778 3.597 0.022 20 0 "[ . 1 . 2]" 1
1301 1 9 LEU QD 1 147 TRP HA 3.280 . 4.760 4.598 3.771 5.304 0.544 19 1 "[ . 1 . +2]" 1
1302 1 9 LEU QD 1 147 TRP HD1 2.800 . 3.800 2.865 2.271 3.506 . 0 0 "[ . 1 . 2]" 1
1303 1 9 LEU QD 1 147 TRP HE1 2.935 . 4.070 3.012 2.510 3.604 . 0 0 "[ . 1 . 2]" 1
1304 1 10 TYR QD 1 134 VAL QG 2.625 . 3.450 2.339 1.925 2.688 . 0 0 "[ . 1 . 2]" 1
1305 1 10 TYR QE 1 131 ASP QB 3.280 . 4.760 3.409 2.956 4.106 . 0 0 "[ . 1 . 2]" 1
1306 1 10 TYR QE 1 134 VAL QG 2.740 . 3.680 3.595 2.925 4.086 0.406 8 0 "[ . 1 . 2]" 1
1307 1 12 GLN QG 1 147 TRP HE1 3.570 . 5.340 4.305 2.886 5.511 0.171 18 0 "[ . 1 . 2]" 1
1308 1 13 SER HA 1 134 VAL QG 3.155 . 4.510 4.474 4.200 5.026 0.516 18 1 "[ . 1 . + 2]" 1
1309 1 13 SER QB 1 134 VAL QG 2.410 . 3.020 2.440 2.174 2.965 . 0 0 "[ . 1 . 2]" 1
1310 1 13 SER QB 1 141 LEU QD 3.330 . 4.860 3.785 3.084 4.488 . 0 0 "[ . 1 . 2]" 1
1311 1 13 SER HG 1 134 VAL QG 2.785 . 3.770 2.738 2.301 2.997 . 0 0 "[ . 1 . 2]" 1
1312 1 13 SER HG 1 141 LEU QD 3.560 . 5.320 4.843 4.553 5.642 0.322 1 0 "[ . 1 . 2]" 1
1313 1 15 GLU QG 1 34 LEU QD 3.080 . 4.360 3.460 2.350 4.691 0.331 8 0 "[ . 1 . 2]" 1
1314 1 16 ILE HA 1 34 LEU QD 2.645 . 3.490 2.571 2.049 3.111 . 0 0 "[ . 1 . 2]" 1
1315 1 16 ILE MG 1 34 LEU QD 2.775 . 3.750 2.847 2.256 3.594 . 0 0 "[ . 1 . 2]" 1
1316 1 16 ILE MG 1 45 LEU QB 3.435 . 5.070 2.914 2.329 3.925 . 0 0 "[ . 1 . 2]" 1
1317 1 16 ILE MG 1 45 LEU QD 2.800 . 3.800 2.327 1.789 3.307 0.011 20 0 "[ . 1 . 2]" 1
1318 1 16 ILE MG 1 48 LEU QB 3.515 . 5.230 3.841 3.359 4.098 . 0 0 "[ . 1 . 2]" 1
1319 1 16 ILE QG 1 37 ALA MB 3.115 . 4.430 2.528 1.909 3.013 . 0 0 "[ . 1 . 2]" 1
1320 1 16 ILE MD 1 34 LEU QD 2.935 . 4.070 2.937 2.630 3.458 . 0 0 "[ . 1 . 2]" 1
1321 1 16 ILE MD 1 45 LEU QD 3.500 . 5.200 4.308 3.785 4.778 . 0 0 "[ . 1 . 2]" 1
1322 1 16 ILE MD 1 147 TRP QB 3.190 . 4.580 3.224 2.852 3.828 . 0 0 "[ . 1 . 2]" 1
1323 1 17 ILE QG 1 126 ALA MB 3.570 . 5.340 5.716 5.132 6.009 0.669 12 8 "[ * . * 1*+- * * *2]" 1
1324 1 19 ARG QB 1 34 LEU QD 2.475 . 3.150 3.262 2.592 3.585 0.435 14 0 "[ . 1 . 2]" 1
1325 1 20 TYR H 1 45 LEU QD 2.780 . 3.760 3.028 2.700 4.227 0.467 14 0 "[ . 1 . 2]" 1
1326 1 20 TYR QB 1 45 LEU QD 2.610 . 3.420 2.084 1.798 3.088 0.002 9 0 "[ . 1 . 2]" 1
1327 1 20 TYR QD 1 45 LEU QD 2.695 . 3.590 2.557 2.025 3.528 . 0 0 "[ . 1 . 2]" 1
1328 1 21 LEU QD 1 107 ALA HA 2.475 . 3.150 2.068 1.796 2.481 0.004 14 0 "[ . 1 . 2]" 1
1329 1 21 LEU QD 1 110 ALA MB 2.345 . 2.890 1.911 1.781 2.155 0.019 16 0 "[ . 1 . 2]" 1
1330 1 21 LEU QD 1 122 ILE MG 2.765 . 3.730 2.907 2.381 3.601 . 0 0 "[ . 1 . 2]" 1
1331 1 21 LEU QD 1 126 ALA H 2.830 . 3.860 3.617 3.162 3.997 0.137 17 0 "[ . 1 . 2]" 1
1332 1 21 LEU QD 1 126 ALA HA 2.610 . 3.420 2.696 2.220 3.209 . 0 0 "[ . 1 . 2]" 1
1333 1 21 LEU QD 1 126 ALA MB 2.415 . 3.030 2.115 1.791 2.635 0.009 18 0 "[ . 1 . 2]" 1
1334 1 25 ALA MB 1 111 LYS QG 3.380 . 4.960 3.896 3.022 4.750 . 0 0 "[ . 1 . 2]" 1
1335 1 34 LEU QD 1 41 GLY H 2.830 . 3.860 4.236 3.858 4.372 0.512 1 1 "[+ . 1 . 2]" 1
1336 1 34 LEU QD 1 41 GLY QA 2.745 . 3.690 2.440 2.014 2.837 . 0 0 "[ . 1 . 2]" 1
1337 1 34 LEU QD 1 44 ALA H 3.340 . 4.880 4.452 4.151 4.834 . 0 0 "[ . 1 . 2]" 1
1338 1 34 LEU QD 1 45 LEU H 3.185 . 4.570 3.286 2.995 3.785 . 0 0 "[ . 1 . 2]" 1
1339 1 34 LEU QD 1 45 LEU QB 2.695 . 3.590 2.051 1.761 2.444 0.039 13 0 "[ . 1 . 2]" 1
1340 1 34 LEU QD 1 45 LEU QD 2.525 . 3.250 1.871 1.740 2.809 0.060 16 0 "[ . 1 . 2]" 1
1341 1 40 ALA HA 1 147 TRP QB 3.425 . 5.050 5.016 4.613 5.381 0.331 6 0 "[ . 1 . 2]" 1
1342 1 40 ALA HA 1 151 VAL QG 3.280 . 4.760 3.645 2.709 4.380 . 0 0 "[ . 1 . 2]" 1
1343 1 43 ARG H 1 151 VAL QG 3.135 . 4.470 3.961 3.472 4.272 . 0 0 "[ . 1 . 2]" 1
1344 1 43 ARG QB 1 151 VAL QG 2.360 . 2.920 2.027 1.758 2.620 0.042 15 0 "[ . 1 . 2]" 1
1345 1 44 ALA HA 1 151 VAL QG 2.400 . 3.000 1.976 1.783 2.306 0.017 13 0 "[ . 1 . 2]" 1
1346 1 44 ALA MB 1 151 VAL QG 2.730 . 3.660 2.479 2.194 2.999 . 0 0 "[ . 1 . 2]" 1
1347 1 47 THR HB 1 151 VAL QG 3.415 . 5.030 3.048 2.137 4.038 . 0 0 "[ . 1 . 2]" 1
1348 1 47 THR MG 1 151 VAL QG 2.980 . 4.160 3.344 2.526 4.445 0.285 16 0 "[ . 1 . 2]" 1
1349 1 48 LEU QB 1 150 PHE HZ 3.520 . 5.240 3.015 2.477 3.823 . 0 0 "[ . 1 . 2]" 1
1350 1 48 LEU QD 1 100 VAL HB 3.340 . 4.880 3.308 2.075 4.725 . 0 0 "[ . 1 . 2]" 1
1351 1 51 VAL HA 1 100 VAL QG 3.575 . 5.350 4.601 4.114 5.263 . 0 0 "[ . 1 . 2]" 1
1352 1 51 VAL HB 1 100 VAL QG 2.885 . 3.970 2.662 1.931 3.792 . 0 0 "[ . 1 . 2]" 1
1353 1 51 VAL QG 1 100 VAL HB 3.255 . 4.710 3.125 2.196 3.817 . 0 0 "[ . 1 . 2]" 1
1354 1 51 VAL QG 1 100 VAL QG 2.380 . 2.960 2.007 1.769 2.463 0.031 3 0 "[ . 1 . 2]" 1
1355 1 51 VAL QG 1 150 PHE QE 3.285 . 4.770 3.797 2.971 4.168 . 0 0 "[ . 1 . 2]" 1
1356 1 51 VAL QG 1 154 PHE QD 2.910 . 4.020 2.296 1.785 3.117 0.015 18 0 "[ . 1 . 2]" 1
1357 1 51 VAL QG 1 154 PHE QE 2.760 . 3.720 2.064 1.734 3.037 0.066 6 0 "[ . 1 . 2]" 1
1358 1 55 VAL QG 1 101 THR H 3.405 . 5.010 4.748 4.473 5.125 0.115 16 0 "[ . 1 . 2]" 1
1359 1 55 VAL QG 1 104 SER QB 2.870 . 3.940 3.252 2.417 3.886 . 0 0 "[ . 1 . 2]" 1
1360 1 63 PHE QB 1 108 PHE QD 3.195 . 4.590 2.413 1.830 3.052 . 0 0 "[ . 1 . 2]" 1
1361 1 67 LEU HA 1 109 VAL QG 3.450 . 5.100 3.612 3.076 3.911 . 0 0 "[ . 1 . 2]" 1
1362 1 67 LEU QB 1 109 VAL QG 3.225 . 4.650 4.072 3.333 4.518 . 0 0 "[ . 1 . 2]" 1
1363 1 67 LEU QD 1 108 PHE QE 2.750 . 3.700 3.082 2.476 3.856 0.156 10 0 "[ . 1 . 2]" 1
1364 1 67 LEU QD 1 109 VAL HB 3.005 . 4.210 3.909 3.810 4.053 . 0 0 "[ . 1 . 2]" 1
1365 1 67 LEU QD 1 109 VAL QG 2.025 . 2.250 2.023 1.912 2.151 . 0 0 "[ . 1 . 2]" 1
1366 1 70 LEU QD 1 81 PHE QE 3.130 . 4.460 3.659 2.643 4.783 0.323 10 0 "[ . 1 . 2]" 1
1367 1 70 LEU QD 1 84 VAL QG 1.925 . 2.050 2.051 1.779 2.319 0.269 11 0 "[ . 1 . 2]" 1
1368 1 70 LEU QD 1 105 PHE QE 2.765 . 3.730 2.402 1.777 3.507 0.023 4 0 "[ . 1 . 2]" 1
1369 1 72 ILE MG 1 113 LEU QD 2.395 . 2.990 2.272 2.062 2.840 . 0 0 "[ . 1 . 2]" 1
1370 1 72 ILE MG 1 118 GLN QE 3.485 . 5.170 3.756 2.943 5.406 0.236 9 0 "[ . 1 . 2]" 1
1371 1 72 ILE QG 1 81 PHE HZ 3.570 . 5.340 5.791 5.268 5.910 0.570 20 14 "[ ***. * **-*** ***+]" 1
1372 1 72 ILE MD 1 109 VAL QG 2.340 . 2.880 2.751 2.402 3.030 0.150 4 0 "[ . 1 . 2]" 1
1373 1 72 ILE MD 1 121 PHE QB 3.215 . 4.630 4.670 4.242 5.118 0.488 19 0 "[ . 1 . 2]" 1
1374 1 73 LYS HA 1 118 GLN QE 2.920 . 4.040 2.845 1.987 3.982 . 0 0 "[ . 1 . 2]" 1
1375 1 75 GLU HA 1 124 PRO QB 3.425 . 5.050 5.177 3.711 5.632 0.582 8 10 "[* * -* +** * * *2]" 1
1376 1 78 VAL HA 1 125 LEU QD 2.845 . 3.890 2.892 2.399 3.521 . 0 0 "[ . 1 . 2]" 1
1377 1 78 VAL HB 1 125 LEU QD 3.185 . 4.570 4.126 2.802 4.719 0.149 9 0 "[ . 1 . 2]" 1
1378 1 78 VAL QG 1 124 PRO HA 3.620 . 5.440 4.720 4.017 5.273 . 0 0 "[ . 1 . 2]" 1
1379 1 78 VAL QG 1 124 PRO QB 2.595 . 3.390 2.983 2.284 3.502 0.112 8 0 "[ . 1 . 2]" 1
1380 1 78 VAL QG 1 124 PRO QG 3.045 . 4.290 4.147 3.195 4.716 0.426 5 0 "[ . 1 . 2]" 1
1381 1 78 VAL QG 1 125 LEU QD 2.615 . 3.430 1.946 1.779 2.292 0.021 20 0 "[ . 1 . 2]" 1
1382 1 78 VAL QG 1 128 THR HB 2.970 . 4.140 3.012 2.693 3.498 . 0 0 "[ . 1 . 2]" 1
1383 1 78 VAL QG 1 128 THR MG 2.540 . 3.280 2.102 1.782 2.706 0.018 13 0 "[ . 1 . 2]" 1
1384 1 81 PHE QB 1 125 LEU QD 2.875 . 3.950 2.869 2.530 3.253 . 0 0 "[ . 1 . 2]" 1
1385 1 81 PHE QD 1 125 LEU QD 2.960 . 4.120 2.883 2.587 3.198 . 0 0 "[ . 1 . 2]" 1
1386 1 81 PHE QE 1 125 LEU QD 3.085 . 4.370 3.188 2.864 3.426 . 0 0 "[ . 1 . 2]" 1
1387 1 81 PHE QE 1 129 ILE QG 3.275 . 4.750 2.265 1.797 2.816 0.003 16 0 "[ . 1 . 2]" 1
1388 1 84 VAL QG 1 105 PHE QE 2.440 . 3.080 3.039 2.727 3.407 0.327 10 0 "[ . 1 . 2]" 1
1389 1 85 MET H 1 102 LEU QD 3.185 . 4.570 4.135 3.845 4.397 . 0 0 "[ . 1 . 2]" 1
1390 1 85 MET HA 1 102 LEU QD 2.735 . 3.670 2.209 1.846 2.476 . 0 0 "[ . 1 . 2]" 1
1391 1 85 MET QB 1 102 LEU QD 3.055 . 4.310 2.365 1.843 3.564 . 0 0 "[ . 1 . 2]" 1
1392 1 85 MET QG 1 102 LEU QD 2.800 . 3.800 2.435 1.872 3.456 . 0 0 "[ . 1 . 2]" 1
1393 1 85 MET QG 1 129 ILE MG 3.360 . 4.920 3.922 3.433 4.606 . 0 0 "[ . 1 . 2]" 1
1394 1 85 MET QG 1 132 VAL QG 2.735 . 3.670 3.443 1.767 3.953 0.283 2 0 "[ . 1 . 2]" 1
1395 1 85 MET ME 1 102 LEU QD 2.720 . 3.640 1.986 1.795 2.410 0.005 4 0 "[ . 1 . 2]" 1
1396 1 88 VAL HB 1 102 LEU QD 2.630 . 3.460 2.472 2.161 2.862 . 0 0 "[ . 1 . 2]" 1
1397 1 88 VAL QG 1 98 ARG H 3.175 . 4.550 5.022 4.822 5.104 0.554 1 8 "[+ -*. * *1 * .* *]" 1
1398 1 88 VAL QG 1 98 ARG HA 3.620 . 5.440 3.299 2.960 3.533 . 0 0 "[ . 1 . 2]" 1
1399 1 88 VAL QG 1 98 ARG QD 3.120 . 4.440 2.797 2.179 3.814 . 0 0 "[ . 1 . 2]" 1
1400 1 88 VAL QG 1 102 LEU H 3.250 . 4.570 4.257 3.879 4.552 . 0 0 "[ . 1 . 2]" 1
1401 1 88 VAL QG 1 102 LEU QD 3.280 . 4.760 1.842 1.738 2.059 0.062 20 0 "[ . 1 . 2]" 1
1402 1 89 PHE QD 1 98 ARG QD 3.570 . 5.340 3.418 2.625 4.916 . 0 0 "[ . 1 . 2]" 1
1403 1 89 PHE QD 1 102 LEU QD 2.815 . 3.830 3.382 3.176 3.736 . 0 0 "[ . 1 . 2]" 1
1404 1 89 PHE QD 1 137 LYS QG 3.570 . 5.340 4.602 3.504 5.452 0.112 14 0 "[ . 1 . 2]" 1
1405 1 89 PHE QE 1 102 LEU QD 3.015 . 4.230 2.287 1.957 3.077 . 0 0 "[ . 1 . 2]" 1
1406 1 89 PHE QE 1 133 LEU QD 2.965 . 4.130 2.745 2.002 4.007 . 0 0 "[ . 1 . 2]" 1
1407 1 89 PHE HZ 1 102 LEU QD 2.810 . 3.820 2.846 2.496 3.182 . 0 0 "[ . 1 . 2]" 1
1408 1 89 PHE HZ 1 133 LEU QD 2.900 . 4.000 2.766 2.093 4.401 0.401 5 0 "[ . 1 . 2]" 1
1409 1 94 THR MG 1 137 LYS QB 3.180 . 4.560 2.457 2.077 3.196 . 0 0 "[ . 1 . 2]" 1
1410 1 94 THR MG 1 140 TRP QB 3.295 . 4.790 2.876 2.395 3.686 . 0 0 "[ . 1 . 2]" 1
1411 1 94 THR MG 1 141 LEU QD 3.350 . 4.900 3.722 2.838 5.077 0.177 17 0 "[ . 1 . 2]" 1
1412 1 96 TRP HE1 1 149 GLY QA 3.570 . 5.340 3.954 2.960 4.782 . 0 0 "[ . 1 . 2]" 1
1413 1 96 TRP HZ3 1 141 LEU QD 3.215 . 4.630 3.373 2.678 4.467 . 0 0 "[ . 1 . 2]" 1
1414 1 96 TRP HZ3 1 150 PHE QB 3.570 . 5.340 3.145 2.564 3.767 . 0 0 "[ . 1 . 2]" 1
1415 1 96 TRP HH2 1 141 LEU QD 2.700 . 3.600 3.212 2.148 4.016 0.416 20 0 "[ . 1 . 2]" 1
1416 1 99 ILE MG 1 133 LEU QD 2.490 . 3.180 1.899 1.740 2.408 0.060 6 0 "[ . 1 . 2]" 1
1417 1 99 ILE MG 1 141 LEU QD 3.095 . 4.390 3.483 2.873 4.440 0.050 5 0 "[ . 1 . 2]" 1
1418 1 99 ILE QG 1 133 LEU QD 3.350 . 4.900 2.656 1.822 3.929 . 0 0 "[ . 1 . 2]" 1
1419 1 99 ILE MD 1 133 LEU QD 2.655 . 3.510 3.329 2.161 3.892 0.382 13 0 "[ . 1 . 2]" 1
1420 1 99 ILE MD 1 141 LEU QD 3.025 . 4.250 2.642 2.039 3.947 . 0 0 "[ . 1 . 2]" 1
1421 1 100 VAL QG 1 150 PHE QD 3.140 . 4.480 3.527 2.911 4.559 0.079 16 0 "[ . 1 . 2]" 1
1422 1 100 VAL QG 1 150 PHE QE 2.690 . 3.580 1.988 1.769 3.010 0.031 10 0 "[ . 1 . 2]" 1
1423 1 100 VAL QG 1 150 PHE HZ 3.255 . 4.710 2.756 2.496 3.006 . 0 0 "[ . 1 . 2]" 1
1424 1 100 VAL QG 1 154 PHE QD 3.215 . 4.630 3.572 2.682 4.359 . 0 0 "[ . 1 . 2]" 1
1425 1 100 VAL QG 1 154 PHE QE 3.065 . 4.330 2.292 1.758 2.959 0.042 18 0 "[ . 1 . 2]" 1
1426 1 103 ILE HB 1 133 LEU QD 2.785 . 3.770 4.134 3.860 4.210 0.440 11 0 "[ . 1 . 2]" 1
1427 1 103 ILE MD 1 133 LEU QD 3.125 . 4.450 2.452 1.943 2.694 . 0 0 "[ . 1 . 2]" 1
1428 1 106 GLY QA 1 129 ILE MG 3.540 . 5.280 3.207 2.762 3.473 . 0 0 "[ . 1 . 2]" 1
1429 1 113 LEU QD 1 121 PHE QB 2.300 . 2.800 1.979 1.832 2.120 . 0 0 "[ . 1 . 2]" 1
1430 1 113 LEU QD 1 121 PHE QD 2.765 . 3.730 3.246 2.849 3.479 . 0 0 "[ . 1 . 2]" 1
1431 1 113 LEU QD 1 122 ILE QG 2.720 . 3.640 2.062 1.795 2.215 0.005 14 0 "[ . 1 . 2]" 1
1432 1 113 LEU QD 1 122 ILE MD 2.460 . 3.120 3.402 3.134 3.487 0.367 4 0 "[ . 1 . 2]" 1
1433 1 134 VAL HA 1 141 LEU QD 2.880 . 3.960 2.497 1.854 3.063 . 0 0 "[ . 1 . 2]" 1
1434 1 134 VAL QG 1 141 LEU QB 3.290 . 4.780 3.630 3.147 4.773 . 0 0 "[ . 1 . 2]" 1
1435 1 134 VAL QG 1 141 LEU QD 2.225 . 2.650 2.218 1.797 2.551 0.003 14 0 "[ . 1 . 2]" 1
1436 1 85 MET H 1 102 LEU MD1 3.265 . 4.730 4.776 4.071 5.283 0.553 5 1 "[ + 1 . 2]" 1
1437 1 20 TYR QD 1 49 ARG H 3.400 . 5.000 4.715 4.298 5.271 0.271 4 0 "[ . 1 . 2]" 1
1438 1 20 TYR QE 1 49 ARG H 3.335 . 4.870 4.086 3.225 5.381 0.511 5 1 "[ + 1 . 2]" 1
1439 1 43 ARG H 1 151 VAL MG1 3.205 . 4.610 4.521 3.574 5.114 0.504 3 1 "[ + . 1 . 2]" 1
1440 1 96 TRP HH2 1 147 TRP H 3.650 . 5.500 4.869 4.351 5.721 0.221 13 0 "[ . 1 . 2]" 1
1441 1 44 ALA H 1 151 VAL MG2 3.080 . 4.360 3.656 2.679 4.605 0.245 20 0 "[ . 1 . 2]" 1
1442 1 44 ALA H 1 151 VAL MG1 3.080 . 4.360 3.589 2.446 4.588 0.228 2 0 "[ . 1 . 2]" 1
1443 1 16 ILE MD 1 44 ALA H 3.375 . 4.950 4.551 4.141 4.882 . 0 0 "[ . 1 . 2]" 1
1444 1 63 PHE HZ 1 105 PHE H 3.565 . 5.330 3.905 2.812 4.757 . 0 0 "[ . 1 . 2]" 1
1445 1 63 PHE QE 1 105 PHE H 3.505 . 5.210 3.177 2.820 3.714 . 0 0 "[ . 1 . 2]" 1
1446 1 20 TYR QE 1 107 ALA H 3.345 . 4.890 4.194 3.695 5.053 0.163 17 0 "[ . 1 . 2]" 1
1447 1 107 ALA H 1 129 ILE MD 2.930 . 4.060 4.303 4.099 4.483 0.423 4 0 "[ . 1 . 2]" 1
1448 1 20 TYR QD 1 107 ALA H 3.410 . 5.020 5.070 4.416 5.434 0.414 19 0 "[ . 1 . 2]" 1
1449 1 96 TRP HH2 1 150 PHE H 3.350 . 4.900 4.035 3.372 4.856 . 0 0 "[ . 1 . 2]" 1
1450 1 23 GLU QB 1 30 ASP H 2.900 . 4.000 4.459 4.247 4.586 0.586 1 6 "[+ . 1 ** * *-2]" 1
1451 1 48 LEU H 1 150 PHE QD 3.475 . 5.150 4.950 4.742 5.138 . 0 0 "[ . 1 . 2]" 1
1452 1 16 ILE MG 1 48 LEU H 3.650 . 5.500 5.433 4.802 5.816 0.316 8 0 "[ . 1 . 2]" 1
1453 1 20 TYR QE 1 53 ASP H 3.160 . 4.520 4.733 4.305 5.060 0.540 15 2 "[ . - 1 + 2]" 1
1454 1 12 GLN HE21 1 40 ALA H 3.650 . 5.500 5.048 4.225 5.697 0.197 18 0 "[ . 1 . 2]" 1
1455 1 40 ALA MB 1 148 ASP H 2.990 . 4.180 3.588 3.202 4.037 . 0 0 "[ . 1 . 2]" 1
1456 1 113 LEU MD1 1 121 PHE H 2.980 . 4.160 4.261 3.601 4.660 0.500 20 1 "[ . 1 . +]" 1
1457 1 16 ILE MG 1 45 LEU H 3.160 . 4.520 3.683 3.349 4.085 . 0 0 "[ . 1 . 2]" 1
1458 1 16 ILE MD 1 45 LEU H 3.360 . 4.920 4.123 3.547 4.791 . 0 0 "[ . 1 . 2]" 1
1459 1 34 LEU MD1 1 42 ARG H 2.910 . 4.020 3.362 2.982 4.619 0.599 20 2 "[- . 1 . +]" 1
1460 1 94 THR MG 1 140 TRP H 3.635 . 5.470 5.086 4.418 5.921 0.451 13 0 "[ . 1 . 2]" 1
1461 1 75 GLU H 1 121 PHE HZ 3.390 . 4.980 4.713 4.077 5.511 0.531 2 2 "[ + . 1 . - 2]" 1
1462 1 75 GLU H 1 121 PHE QE 3.410 . 5.020 3.171 2.623 3.697 . 0 0 "[ . 1 . 2]" 1
1463 1 56 GLN QE 1 108 PHE H 3.365 . 4.280 3.498 2.852 3.749 . 0 0 "[ . 1 . 2]" 1
1464 1 10 TYR QE 1 131 ASP H 3.130 . 4.460 4.072 3.437 4.951 0.491 13 0 "[ . 1 . 2]" 1
1465 1 12 GLN HE22 1 41 GLY H 3.520 . 5.240 3.772 2.917 5.123 . 0 0 "[ . 1 . 2]" 1
1466 1 12 GLN HE21 1 41 GLY H 3.520 . 5.240 3.989 3.096 5.015 . 0 0 "[ . 1 . 2]" 1
1467 1 16 ILE MD 1 41 GLY H 3.170 . 4.540 4.053 3.562 4.465 . 0 0 "[ . 1 . 2]" 1
1468 1 81 PHE HZ 1 106 GLY H 3.355 . 4.910 3.858 3.408 4.135 . 0 0 "[ . 1 . 2]" 1
1469 1 81 PHE QE 1 106 GLY H 3.510 . 5.220 4.316 3.455 4.719 . 0 0 "[ . 1 . 2]" 1
1470 1 96 TRP HH2 1 146 GLY H 3.385 . 4.970 4.389 3.386 5.241 0.271 13 0 "[ . 1 . 2]" 1
1471 1 97 GLY H 1 153 PHE QE 3.380 . 4.960 4.069 3.507 4.707 . 0 0 "[ . 1 . 2]" 1
1472 1 52 GLY H 1 100 VAL HB 3.575 . 5.350 5.187 4.027 5.984 0.634 17 10 "[* *.* ** -**+ *]" 1
1473 1 51 VAL H 1 100 VAL MG1 3.645 . 5.490 5.146 4.137 6.026 0.536 20 1 "[ . 1 . +]" 1
1474 1 10 TYR QE 1 135 ARG H 3.650 . 5.500 4.814 3.660 6.031 0.531 8 1 "[ . + 1 . 2]" 1
1475 1 10 TYR QE 1 134 VAL H 3.650 . 5.500 4.932 4.306 5.681 0.181 8 0 "[ . 1 . 2]" 1
1476 1 47 THR MG 1 154 PHE H 3.350 . 4.900 4.094 3.384 4.830 . 0 0 "[ . 1 . 2]" 1
1477 1 13 SER H 1 147 TRP HE1 3.080 . 4.360 2.708 2.446 3.084 . 0 0 "[ . 1 . 2]" 1
1478 1 13 SER H 1 134 VAL MG2 3.520 . 5.240 4.430 4.070 4.866 . 0 0 "[ . 1 . 2]" 1
1479 1 89 PHE QD 1 95 ASN H 3.185 . 4.570 4.314 3.940 5.047 0.477 1 0 "[ . 1 . 2]" 1
1480 1 63 PHE HZ 1 104 SER H 3.650 . 5.500 5.300 4.675 5.879 0.379 1 0 "[ . 1 . 2]" 1
1481 1 63 PHE QE 1 104 SER H 3.600 . 5.400 5.235 4.790 5.847 0.447 19 0 "[ . 1 . 2]" 1
1482 1 74 ASN H 1 121 PHE QE 3.400 . 5.000 4.425 4.099 4.848 . 0 0 "[ . 1 . 2]" 1
1483 1 85 MET ME 1 132 VAL H 2.900 . 4.000 3.827 3.536 4.416 0.416 16 0 "[ . 1 . 2]" 1
1484 1 105 PHE H 1 129 ILE MD 3.630 . 5.460 5.902 5.658 6.056 0.596 2 11 "[ +* .*** 1 **-** *2]" 1
1485 1 14 LEU H 1 147 TRP HE1 3.275 . 4.750 4.848 4.567 5.324 0.574 17 1 "[ . 1 . + 2]" 1
1486 1 66 MET H 1 105 PHE QE 3.455 . 5.110 4.555 4.162 5.192 0.082 1 0 "[ . 1 . 2]" 1
1487 1 96 TRP H 1 140 TRP HZ2 3.150 . 4.500 4.183 3.260 4.860 0.360 8 0 "[ . 1 . 2]" 1
1488 1 12 GLN HE22 1 37 ALA HA 3.515 . 5.230 5.503 4.781 5.844 0.614 1 6 "[+* . * 1 - . ** 2]" 1
1489 1 12 GLN HE21 1 40 ALA MB 3.140 . 4.480 4.260 3.644 4.932 0.452 18 0 "[ . 1 . 2]" 1
1490 1 12 GLN HE21 1 37 ALA HA 3.515 . 5.230 4.157 3.675 5.029 . 0 0 "[ . 1 . 2]" 1
1491 1 56 GLN QE 1 107 ALA MB 3.320 . 4.070 2.503 2.167 3.090 . 0 0 "[ . 1 . 2]" 1
1492 1 13 SER HG 1 147 TRP HE1 2.980 . 4.160 3.877 3.420 4.258 0.098 17 0 "[ . 1 . 2]" 1
1493 1 13 SER QB 1 147 TRP HE1 3.080 . 4.360 2.511 1.785 2.862 0.015 16 0 "[ . 1 . 2]" 1
1494 1 12 GLN QB 1 147 TRP HE1 3.310 . 4.820 2.746 2.196 3.721 . 0 0 "[ . 1 . 2]" 1
1495 1 16 ILE MG 1 147 TRP HE1 3.650 . 5.500 4.506 3.986 4.998 . 0 0 "[ . 1 . 2]" 1
1496 1 16 ILE MD 1 147 TRP HE1 3.125 . 4.450 2.762 2.448 3.150 . 0 0 "[ . 1 . 2]" 1
1497 1 17 ILE H 1 147 TRP HH2 3.650 . 5.500 4.937 4.533 5.369 . 0 0 "[ . 1 . 2]" 1
1498 1 20 TYR QD 1 49 ARG HE 3.435 . 5.070 3.551 1.767 5.590 0.520 12 1 "[ . 1 + . 2]" 1
1499 1 20 TYR QE 1 49 ARG HE 3.650 . 5.500 3.661 1.928 4.720 . 0 0 "[ . 1 . 2]" 1
1500 1 13 SER H 1 134 VAL MG1 3.520 . 5.240 5.485 5.224 5.836 0.596 18 3 "[ * -1 . + 2]" 1
1501 1 75 GLU H 1 121 PHE QD 3.410 . 5.020 4.877 4.025 5.364 0.344 10 0 "[ . 1 . 2]" 1
1502 1 74 ASN H 1 121 PHE HZ 3.550 . 5.300 5.283 4.815 5.563 0.263 4 0 "[ . 1 . 2]" 1
1503 1 74 ASN H 1 121 PHE QD 3.400 . 5.000 5.063 4.429 5.501 0.501 20 1 "[ . 1 . +]" 1
1504 1 97 GLY H 1 153 PHE HZ 3.645 . 5.490 5.687 4.612 6.111 0.621 5 5 "[ * + 1 -* *2]" 1
1505 1 43 ARG H 1 151 VAL MG2 3.205 . 4.610 4.597 3.768 5.139 0.529 17 1 "[ . 1 . + 2]" 1
1506 1 34 LEU MD2 1 42 ARG H 2.910 . 4.020 4.162 3.141 4.468 0.448 5 0 "[ . 1 . 2]" 1
1507 1 113 LEU MD2 1 121 PHE H 2.980 . 4.160 4.104 3.614 4.592 0.432 18 0 "[ . 1 . 2]" 1
1508 1 94 THR H 1 140 TRP HE1 3.575 . 5.350 4.600 3.685 5.799 0.449 15 0 "[ . 1 . 2]" 1
1509 1 82 SER H 1 128 THR MG 3.190 . 4.580 4.100 3.388 4.557 . 0 0 "[ . 1 . 2]" 1
1510 1 82 SER H 1 132 VAL QG 3.270 . 4.740 4.431 4.053 4.941 0.201 5 0 "[ . 1 . 2]" 1
1511 1 20 TYR HH 1 56 GLN QE 3.355 . 4.910 3.436 2.549 4.728 . 0 0 "[ . 1 . 2]" 1
1512 1 16 ILE MD 1 37 ALA H 3.650 . 5.500 5.670 5.141 6.009 0.509 11 1 "[ . 1+ . 2]" 1
1513 1 12 GLN HE22 1 40 ALA MB 3.140 . 4.480 3.119 2.196 4.588 0.108 18 0 "[ . 1 . 2]" 1
1514 1 64 GLN H 1 108 PHE QE 2.890 . 3.980 3.287 2.651 4.141 0.161 11 0 "[ . 1 . 2]" 1
1515 1 94 THR HB 1 140 TRP HE1 2.950 . 4.100 3.386 2.562 4.278 0.178 13 0 "[ . 1 . 2]" 1
1516 1 94 THR MG 1 140 TRP HE1 3.235 . 4.670 4.540 3.634 5.068 0.398 12 0 "[ . 1 . 2]" 1
1517 1 96 TRP HE1 1 153 PHE H 3.490 . 5.180 5.077 4.438 5.715 0.535 17 3 "[ *. 1 - . + 2]" 1
1518 1 96 TRP HE1 1 140 TRP HZ3 3.330 . 4.860 4.492 3.264 5.359 0.499 20 0 "[ . 1 . 2]" 1
1519 1 96 TRP HE1 1 153 PHE QB 3.120 . 3.620 3.410 2.875 4.002 0.382 13 0 "[ . 1 . 2]" 1
1520 1 96 TRP HE1 1 144 GLN QG 3.155 . 3.960 3.671 2.595 4.399 0.439 4 0 "[ . 1 . 2]" 1
1521 1 12 GLN HE22 1 40 ALA H 3.650 . 5.500 4.078 3.529 5.013 . 0 0 "[ . 1 . 2]" 1
1522 1 20 TYR QE 1 52 GLY H 3.650 . 5.500 5.095 4.626 5.796 0.296 13 0 "[ . 1 . 2]" 1
1523 1 52 GLY H 1 100 VAL MG2 3.270 . 4.740 4.759 3.207 5.235 0.495 11 0 "[ . 1 . 2]" 1
1524 1 51 VAL H 1 100 VAL MG2 3.645 . 5.490 5.479 4.012 6.069 0.579 13 3 "[ . 1 + . *- 2]" 1
1525 1 96 TRP HE1 1 153 PHE QD 3.565 . 5.330 4.384 3.711 5.046 . 0 0 "[ . 1 . 2]" 1
1526 1 94 THR MG 1 137 LYS H 3.650 . 5.500 5.128 4.711 5.853 0.353 2 0 "[ . 1 . 2]" 1
1527 1 16 ILE MD 1 147 TRP H 3.650 . 5.500 5.049 4.694 5.815 0.315 17 0 "[ . 1 . 2]" 1
1528 1 48 LEU H 1 154 PHE QD 3.650 . 5.500 5.954 5.437 6.097 0.597 4 13 "[* *+* * ****-***]" 1
1529 1 51 VAL H 1 154 PHE QD 3.650 . 5.500 5.298 4.728 6.080 0.580 3 3 "[ +-. 1 *. 2]" 1
1530 1 47 THR MG 1 155 HIS H 3.415 . 5.030 4.400 3.465 5.462 0.432 20 0 "[ . 1 . 2]" 1
1531 1 47 THR H 1 150 PHE QD 3.650 . 5.500 5.816 5.403 6.069 0.569 12 3 "[ - . 1 +* . 2]" 1
1532 1 48 LEU H 1 150 PHE HZ 3.340 . 4.880 3.478 2.859 4.246 . 0 0 "[ . 1 . 2]" 1
1533 1 97 GLY H 1 154 PHE QE 3.080 . 4.360 3.783 2.611 4.804 0.444 17 0 "[ . 1 . 2]" 1
1534 1 10 TYR H 1 134 VAL QG 2.775 . 3.750 3.810 3.584 4.097 0.347 13 0 "[ . 1 . 2]" 1
1535 1 12 GLN QE 1 37 ALA HA 3.165 . 4.530 4.031 3.585 4.729 0.199 13 0 "[ . 1 . 2]" 1
1536 1 12 GLN QE 1 40 ALA MB 2.835 . 3.870 3.032 2.179 4.221 0.351 18 0 "[ . 1 . 2]" 1
1537 1 12 GLN QE 1 41 GLY H 3.170 . 4.540 3.402 2.670 4.514 . 0 0 "[ . 1 . 2]" 1
1538 1 13 SER H 1 134 VAL QG 3.030 . 4.260 4.251 3.936 4.636 0.376 18 0 "[ . 1 . 2]" 1
1539 1 16 ILE H 1 34 LEU QD 3.185 . 4.570 4.014 3.498 4.580 0.010 9 0 "[ . 1 . 2]" 1
1540 1 16 ILE QG 1 41 GLY H 3.570 . 5.340 5.279 4.429 5.680 0.340 10 0 "[ . 1 . 2]" 1
1541 1 16 ILE QG 1 44 ALA H 3.570 . 5.340 5.795 5.168 5.940 0.600 16 12 "[** .******* .+ *-2]" 1
1542 1 16 ILE QG 1 45 LEU H 3.390 . 4.980 4.604 4.078 4.973 . 0 0 "[ . 1 . 2]" 1
1543 1 20 TYR H 1 48 LEU QD 3.365 . 4.930 4.809 4.389 5.073 0.143 6 0 "[ . 1 . 2]" 1
1544 1 34 LEU QB 1 42 ARG H 2.745 . 3.690 2.999 2.547 3.878 0.188 9 0 "[ . 1 . 2]" 1
1545 1 34 LEU QD 1 43 ARG H 3.085 . 4.370 4.487 4.282 4.753 0.383 20 0 "[ . 1 . 2]" 1
1546 1 44 ALA H 1 151 VAL QG 2.725 . 3.650 2.784 2.435 3.148 . 0 0 "[ . 1 . 2]" 1
1547 1 48 LEU QD 1 103 ILE H 3.100 . 4.400 4.316 3.862 4.522 0.122 17 0 "[ . 1 . 2]" 1
1548 1 51 VAL H 1 100 VAL QG 3.285 . 4.770 4.567 3.954 5.262 0.492 19 0 "[ . 1 . 2]" 1
1549 1 52 GLY H 1 100 VAL QG 2.965 . 4.130 3.777 2.994 4.628 0.498 11 0 "[ . 1 . 2]" 1
1550 1 56 GLN QE 1 109 VAL H 3.570 . 5.340 5.719 5.007 6.001 0.661 8 10 "[ **-.* + 1 **.* * *]" 1
1551 1 88 VAL QG 1 98 ARG HE 3.620 . 5.440 4.545 3.737 5.599 0.159 15 0 "[ . 1 . 2]" 1
1552 1 88 VAL QG 1 99 ILE H 3.620 . 5.440 5.111 4.835 5.438 . 0 0 "[ . 1 . 2]" 1
1553 1 96 TRP HE1 1 144 GLN QB 2.970 . 4.140 3.487 2.172 4.622 0.482 8 0 "[ . 1 . 2]" 1
1554 1 96 TRP HE1 1 144 GLN QE 3.570 . 5.340 4.612 2.575 5.879 0.539 17 2 "[ . 1 - + 2]" 1
1555 1 141 LEU QB 1 147 TRP H 3.570 . 5.340 5.371 4.881 5.911 0.571 10 3 "[ . *+ . - 2]" 1
1556 1 141 LEU QD 1 147 TRP H 3.620 . 5.440 4.680 3.722 5.590 0.150 10 0 "[ . 1 . 2]" 1
1557 1 96 TRP HD1 1 153 PHE QD 3.260 . 4.720 2.785 1.894 3.453 . 0 0 "[ . 1 . 2]" 1
1558 1 63 PHE QD 1 105 PHE QD 2.980 . 4.160 2.432 1.795 3.508 0.005 19 0 "[ . 1 . 2]" 1
1559 1 63 PHE QE 1 105 PHE QD 3.050 . 4.300 2.894 2.543 3.461 . 0 0 "[ . 1 . 2]" 1
1560 1 96 TRP HH2 1 150 PHE QD 3.370 . 4.940 4.829 3.794 5.443 0.503 8 1 "[ . + 1 . 2]" 1
1561 1 13 SER HG 1 147 TRP HZ2 3.255 . 4.710 4.823 4.383 5.205 0.495 19 0 "[ . 1 . 2]" 1
1562 1 16 ILE MD 1 147 TRP HZ2 3.310 . 4.820 3.741 3.166 4.347 . 0 0 "[ . 1 . 2]" 1
1563 1 16 ILE MD 1 147 TRP HD1 3.060 . 4.320 3.084 2.697 3.499 . 0 0 "[ . 1 . 2]" 1
1564 1 16 ILE MG 1 147 TRP HD1 3.510 . 5.220 5.337 4.604 5.776 0.556 13 2 "[ . 1 + . - 2]" 1
1565 1 95 ASN HA 1 140 TRP HZ2 2.780 . 3.760 3.365 2.105 4.172 0.412 8 0 "[ . 1 . 2]" 1
1566 1 96 TRP HE1 1 140 TRP HZ2 3.550 . 5.300 4.806 4.105 5.854 0.554 19 1 "[ . 1 . +2]" 1
1567 1 96 TRP HD1 1 140 TRP HZ2 3.380 . 4.960 4.757 4.004 5.485 0.525 17 1 "[ . 1 . + 2]" 1
1568 1 95 ASN HA 1 140 TRP HE1 3.650 . 5.500 5.365 4.006 6.095 0.595 8 4 "[ - . + 1 * . * 2]" 1
1569 1 96 TRP HD1 1 140 TRP HH2 3.200 . 4.600 3.477 2.596 4.145 . 0 0 "[ . 1 . 2]" 1
1570 1 96 TRP H 1 140 TRP HH2 3.255 . 4.710 3.081 2.449 3.771 . 0 0 "[ . 1 . 2]" 1
1571 1 96 TRP HE1 1 140 TRP HH2 3.395 . 4.990 3.589 2.975 4.141 . 0 0 "[ . 1 . 2]" 1
1572 1 94 THR MG 1 140 TRP HZ3 3.495 . 5.190 3.746 3.258 4.952 . 0 0 "[ . 1 . 2]" 1
1573 1 96 TRP HZ2 1 140 TRP HZ3 3.475 . 5.150 3.830 2.740 4.496 . 0 0 "[ . 1 . 2]" 1
1574 1 96 TRP H 1 140 TRP HZ3 3.650 . 5.500 4.894 4.243 5.521 0.021 20 0 "[ . 1 . 2]" 1
1575 1 96 TRP HH2 1 140 TRP HE3 3.480 . 5.160 4.668 3.930 5.148 . 0 0 "[ . 1 . 2]" 1
1576 1 99 ILE MD 1 140 TRP HZ3 2.900 . 4.000 2.353 1.940 3.019 . 0 0 "[ . 1 . 2]" 1
1577 1 99 ILE MD 1 140 TRP HZ2 3.250 . 4.700 5.130 4.481 5.242 0.542 14 9 "[* **. **1- +* *]" 1
1578 1 94 THR MG 1 140 TRP HE3 3.315 . 4.830 3.134 2.529 4.351 . 0 0 "[ . 1 . 2]" 1
1579 1 47 THR HA 1 154 PHE QD 3.550 . 5.300 5.245 4.586 5.653 0.353 4 0 "[ . 1 . 2]" 1
1580 1 66 MET ME 1 105 PHE QD 3.340 . 4.880 3.551 2.985 4.564 . 0 0 "[ . 1 . 2]" 1
1581 1 84 VAL MG1 1 105 PHE QD 3.440 . 5.080 3.709 3.355 4.029 . 0 0 "[ . 1 . 2]" 1
1582 1 84 VAL MG2 1 105 PHE QD 3.440 . 5.080 5.100 4.667 5.461 0.381 19 0 "[ . 1 . 2]" 1
1583 1 63 PHE HA 1 105 PHE QD 3.230 . 4.660 3.835 3.464 4.357 . 0 0 "[ . 1 . 2]" 1
1584 1 74 ASN QB 1 121 PHE QE 3.445 . 5.090 4.307 3.906 4.778 . 0 0 "[ . 1 . 2]" 1
1585 1 20 TYR HH 1 53 ASP H 3.040 . 4.280 3.620 2.856 4.143 . 0 0 "[ . 1 . 2]" 1
1586 1 20 TYR HH 1 49 ARG HA 3.445 . 5.090 3.093 1.899 3.836 . 0 0 "[ . 1 . 2]" 1
1587 1 67 LEU H 1 105 PHE QE 3.175 . 4.550 3.030 2.641 3.499 . 0 0 "[ . 1 . 2]" 1
1588 1 67 LEU H 1 105 PHE HZ 3.335 . 4.870 4.129 3.416 5.199 0.329 1 0 "[ . 1 . 2]" 1
1589 1 67 LEU H 1 105 PHE QD 3.285 . 4.770 5.080 4.671 5.321 0.551 16 5 "[ * . 1* .+ -*]" 1
1590 1 89 PHE QE 1 98 ARG H 3.245 . 4.690 4.966 4.459 5.212 0.522 14 3 "[ .- 1 +. *2]" 1
1591 1 67 LEU QD 1 112 HIS HE1 3.105 . 4.410 4.655 4.176 4.902 0.492 17 0 "[ . 1 . 2]" 1
1592 1 70 LEU QD 1 105 PHE QD 3.440 . 5.080 4.180 3.365 5.113 0.033 10 0 "[ . 1 . 2]" 1
1593 1 81 PHE QD 1 109 VAL QG 3.140 . 4.480 3.449 3.239 3.603 . 0 0 "[ . 1 . 2]" 1
1594 1 81 PHE QE 1 109 VAL QG 2.815 . 3.830 1.785 1.752 1.855 0.048 3 0 "[ . 1 . 2]" 1
1595 1 81 PHE HZ 1 109 VAL QG 3.210 . 4.620 2.271 1.978 2.734 . 0 0 "[ . 1 . 2]" 1
1596 1 84 VAL QG 1 105 PHE QD 3.120 . 4.440 3.620 3.302 3.857 . 0 0 "[ . 1 . 2]" 1
1597 1 97 GLY QA 2 19 LEU MD2 3.455 . 5.110 2.294 1.843 2.843 . 0 0 "[ . 1 . 2]" 1
1598 1 96 TRP QB 2 23 TYR QE 3.555 . 4.550 5.060 4.927 5.157 0.607 17 11 "[ * .*** **** .*+ -]" 1
1599 1 66 MET ME 2 12 LEU HA 2.670 . 3.540 3.159 2.097 3.855 0.315 16 0 "[ . 1 . 2]" 1
1600 1 80 SER HA 2 4 TRP HH2 3.645 . 5.490 3.632 2.803 4.850 . 0 0 "[ . 1 . 2]" 1
1601 1 80 SER QB 2 4 TRP HH2 3.505 . 4.520 2.561 1.799 3.520 0.001 2 0 "[ . 1 . 2]" 1
1602 1 66 MET ME 2 8 ILE HA 3.300 . 4.800 4.025 2.707 4.676 . 0 0 "[ . 1 . 2]" 1
1603 1 66 MET ME 2 12 LEU MD2 2.860 . 3.920 2.976 1.920 4.323 0.403 20 0 "[ . 1 . 2]" 1
1604 1 66 MET ME 2 8 ILE MD 3.015 . 4.230 3.914 1.997 4.724 0.494 16 0 "[ . 1 . 2]" 1
1605 1 88 VAL QG 2 13 ARG HA 2.920 . 3.360 2.558 1.812 3.043 . 0 0 "[ . 1 . 2]" 1
1606 1 66 MET ME 2 12 LEU H 2.710 . 3.620 3.574 2.525 4.006 0.386 16 0 "[ . 1 . 2]" 1
1607 1 66 MET ME 2 12 LEU MD1 2.360 . 2.920 2.680 1.801 3.314 0.394 1 0 "[ . 1 . 2]" 1
1608 1 59 HIS HD2 2 15 ILE MD 3.650 . 5.500 3.836 2.755 4.771 . 0 0 "[ . 1 . 2]" 1
1609 1 101 THR MG 2 12 LEU HA 2.885 . 3.970 3.083 2.537 3.438 . 0 0 "[ . 1 . 2]" 1
1610 1 101 THR MG 2 12 LEU QB 2.785 . 3.220 3.390 2.420 3.677 0.457 17 0 "[ . 1 . 2]" 1
1611 1 101 THR MG 2 12 LEU MD2 2.730 . 3.660 2.640 1.926 3.639 . 0 0 "[ . 1 . 2]" 1
1612 1 101 THR MG 2 12 LEU MD1 2.730 . 3.660 3.246 2.162 4.108 0.448 1 0 "[ . 1 . 2]" 1
1613 1 98 ARG QD 2 16 ALA MB 3.575 . 4.060 3.525 1.810 3.903 . 0 0 "[ . 1 . 2]" 1
1614 1 97 GLY QA 2 20 ASN QB 3.650 . 4.260 2.216 1.777 3.753 0.023 15 0 "[ . 1 . 2]" 1
1615 1 97 GLY QA 2 19 LEU MD1 3.455 . 5.110 4.442 4.162 5.216 0.106 14 0 "[ . 1 . 2]" 1
1616 1 84 VAL HA 2 5 ALA MB 3.135 . 4.470 3.705 3.030 4.937 0.467 18 0 "[ . 1 . 2]" 1
1617 1 70 LEU QD 2 4 TRP HE3 2.685 . 3.570 2.596 1.940 3.288 . 0 0 "[ . 1 . 2]" 1
1618 1 70 LEU QD 2 4 TRP HZ3 2.690 . 3.580 2.711 1.804 3.694 0.114 7 0 "[ . 1 . 2]" 1
1619 1 84 VAL QG 2 4 TRP HZ3 2.615 . 3.430 3.331 2.236 3.816 0.386 11 0 "[ . 1 . 2]" 1
1620 1 66 MET QB 2 8 ILE HA 3.515 . 5.070 3.886 2.614 4.623 . 0 0 "[ . 1 . 2]" 1
1621 1 66 MET ME 2 12 LEU QB 2.850 . 3.900 3.689 2.987 4.284 0.384 20 0 "[ . 1 . 2]" 1
1622 1 66 MET ME 2 12 LEU QD 2.165 . 2.530 2.095 1.797 2.504 0.003 17 0 "[ . 1 . 2]" 1
1623 1 101 THR HA 2 12 LEU QD 3.620 . 5.440 4.246 3.450 5.440 . 0 0 "[ . 1 . 2]" 1
1624 1 101 THR HB 2 12 LEU QD 3.620 . 5.440 3.496 2.069 4.641 . 0 0 "[ . 1 . 2]" 1
1625 1 101 THR MG 2 12 LEU QD 2.475 . 3.150 2.255 1.922 3.145 . 0 0 "[ . 1 . 2]" 1
1626 1 102 LEU QD 2 12 LEU QD 2.585 . 3.370 2.318 1.882 3.048 . 0 0 "[ . 1 . 2]" 1
1627 1 88 VAL QG 2 13 ARG H 2.895 . 3.990 3.136 2.690 3.587 . 0 0 "[ . 1 . 2]" 1
1628 1 88 VAL QG 2 13 ARG QB 2.885 . 3.970 2.995 2.063 3.913 . 0 0 "[ . 1 . 2]" 1
1629 1 59 HIS QB 2 15 ILE MG 3.305 . 4.370 3.184 2.177 3.984 . 0 0 "[ . 1 . 2]" 1
1630 1 59 HIS QB 2 15 ILE MD 3.570 . 4.020 2.468 2.166 3.102 . 0 0 "[ . 1 . 2]" 1
1631 1 97 GLY QA 2 20 ASN HA 3.185 . 4.550 3.357 2.518 4.702 0.152 14 0 "[ . 1 . 2]" 1
1632 1 96 TRP H 2 20 ASN QB 3.570 . 5.340 4.391 3.769 5.905 0.565 6 1 "[ .+ 1 . 2]" 1
1633 1 97 GLY H 2 20 ASN QB 2.975 . 4.150 2.615 1.783 4.460 0.310 6 0 "[ . 1 . 2]" 1
1634 1 98 ARG H 2 20 ASN QB 3.460 . 5.120 3.657 3.071 5.229 0.109 10 0 "[ . 1 . 2]" 1
1635 1 98 ARG HE 2 20 ASN QB 3.420 . 5.040 4.666 3.155 5.568 0.528 14 1 "[ . 1 +. 2]" 1
1636 1 97 GLY H 2 20 ASN QD 3.280 . 4.760 3.058 1.995 4.133 . 0 0 "[ . 1 . 2]" 1
1637 1 98 ARG H 2 20 ASN QD 3.570 . 5.340 4.905 3.944 5.396 0.056 4 0 "[ . 1 . 2]" 1
1638 1 153 PHE HZ 2 24 GLU QB 3.345 . 4.890 2.194 1.780 2.478 0.020 19 0 "[ . 1 . 2]" 1
1639 1 87 HIS HD2 2 5 ALA MB 2.845 . 3.890 2.475 1.795 3.709 0.005 3 0 "[ . 1 . 2]" 1
1640 1 66 MET HA 2 8 ILE MD 2.935 . 4.070 2.646 1.981 4.561 0.491 14 0 "[ . 1 . 2]" 1
1641 1 66 MET QB 2 8 ILE MD 3.385 . 4.100 2.565 1.789 4.184 0.084 12 0 "[ . 1 . 2]" 1
1642 1 66 MET QB 2 8 ILE MG 3.015 . 3.610 2.660 2.142 3.796 0.186 12 0 "[ . 1 . 2]" 1
1643 1 84 VAL HA 2 8 ILE MG 2.930 . 4.060 4.348 3.625 4.571 0.511 4 1 "[ +. 1 . 2]" 1
1644 1 66 MET HA 2 8 ILE MG 2.915 . 4.030 4.157 3.466 4.537 0.507 7 1 "[ . + 1 . 2]" 1
1645 1 105 PHE QD 2 8 ILE MG 3.360 . 4.920 4.483 3.621 5.457 0.537 7 1 "[ . + 1 . 2]" 1
1646 1 105 PHE QE 2 8 ILE MG 2.765 . 3.730 3.418 2.639 4.105 0.375 7 0 "[ . 1 . 2]" 1
1647 1 55 VAL MG1 2 15 ILE MD 3.015 . 4.230 3.509 2.796 4.683 0.453 7 0 "[ . 1 . 2]" 1
1648 1 63 PHE QD 2 15 ILE MD 2.760 . 3.720 3.122 2.188 4.065 0.345 19 0 "[ . 1 . 2]" 1
1649 1 55 VAL MG1 2 15 ILE MG 2.485 . 3.170 2.146 1.791 2.806 0.009 14 0 "[ . 1 . 2]" 1
1650 1 55 VAL HA 2 15 ILE MG 2.890 . 3.980 4.213 3.483 4.483 0.503 20 1 "[ . 1 . +]" 1
1651 1 63 PHE QD 2 15 ILE MG 3.125 . 4.450 4.328 3.245 4.924 0.474 7 0 "[ . 1 . 2]" 1
1652 1 63 PHE QE 2 15 ILE MG 2.855 . 3.910 2.866 1.862 4.140 0.230 7 0 "[ . 1 . 2]" 1
1653 1 98 ARG QB 2 16 ALA MB 2.905 . 4.010 3.188 2.798 3.757 . 0 0 "[ . 1 . 2]" 1
1654 1 98 ARG HA 2 16 ALA MB 2.535 . 3.270 1.814 1.690 2.447 0.110 20 0 "[ . 1 . 2]" 1
1655 1 101 THR HB 2 16 ALA MB 2.805 . 3.810 2.566 1.957 3.536 . 0 0 "[ . 1 . 2]" 1
1656 1 98 ARG H 2 16 ALA MB 2.890 . 3.980 3.130 2.918 3.610 . 0 0 "[ . 1 . 2]" 1
1657 1 154 PHE QE 2 19 LEU MD1 2.815 . 3.830 3.957 3.308 4.249 0.419 5 0 "[ . 1 . 2]" 1
1658 1 154 PHE QE 2 19 LEU MD2 2.815 . 3.830 3.074 2.515 3.605 . 0 0 "[ . 1 . 2]" 1
1659 1 153 PHE HZ 2 20 ASN HA 3.020 . 4.240 4.366 3.415 4.713 0.473 1 0 "[ . 1 . 2]" 1
1660 1 153 PHE HZ 2 24 GLU HA 2.955 . 4.110 2.722 1.818 3.872 . 0 0 "[ . 1 . 2]" 1
1661 1 153 PHE HZ 2 24 GLU QG 3.270 . 4.130 2.973 2.225 4.363 0.233 3 0 "[ . 1 . 2]" 1
1662 1 105 PHE QB 2 12 LEU MD2 3.410 . 5.020 2.428 1.941 3.056 . 0 0 "[ . 1 . 2]" 1
1663 1 105 PHE HA 2 12 LEU MD2 3.535 . 5.270 4.516 3.841 5.309 0.039 4 0 "[ . 1 . 2]" 1
1664 1 105 PHE QD 2 12 LEU MD2 3.175 . 4.550 3.043 2.076 3.625 . 0 0 "[ . 1 . 2]" 1
1665 1 105 PHE QE 2 12 LEU MD2 3.135 . 4.470 4.090 3.416 4.827 0.357 1 0 "[ . 1 . 2]" 1
1666 1 105 PHE QB 2 12 LEU MD1 3.410 . 5.020 2.666 1.854 3.348 . 0 0 "[ . 1 . 2]" 1
1667 1 105 PHE QD 2 12 LEU MD1 3.175 . 4.550 2.993 1.989 3.599 . 0 0 "[ . 1 . 2]" 1
1668 1 105 PHE QE 2 12 LEU MD1 3.135 . 4.470 3.643 2.573 4.749 0.279 14 0 "[ . 1 . 2]" 1
1669 1 84 VAL MG2 2 9 GLY QA 3.650 . 5.500 4.281 3.651 4.826 . 0 0 "[ . 1 . 2]" 1
1670 1 84 VAL MG1 2 9 GLY QA 3.650 . 5.500 2.831 2.110 3.495 . 0 0 "[ . 1 . 2]" 1
1671 1 105 PHE H 2 12 LEU MD2 3.650 . 5.500 4.139 3.552 4.701 . 0 0 "[ . 1 . 2]" 1
1672 1 105 PHE H 2 12 LEU MD1 3.650 . 5.500 4.591 3.695 5.570 0.070 18 0 "[ . 1 . 2]" 1
1673 1 59 HIS HE1 2 15 ILE MG 3.160 . 4.520 4.333 3.352 4.988 0.468 6 0 "[ . 1 . 2]" 1
1674 1 59 HIS HA 2 15 ILE MD 3.395 . 4.990 4.756 4.490 5.331 0.341 20 0 "[ . 1 . 2]" 1
1675 1 59 HIS HA 2 15 ILE MG 3.650 . 5.500 5.461 4.635 6.129 0.629 20 3 "[- . * 1 . +]" 1
1676 1 62 ALA HA 2 15 ILE MD 3.280 . 4.760 4.960 4.054 5.302 0.542 16 8 "[* *. * -1 *.+ **]" 1
1677 1 55 VAL HB 2 15 ILE MD 3.395 . 4.990 5.085 3.762 5.582 0.592 13 13 "[ ***** ** + -****2]" 1
1678 1 63 PHE QE 2 15 ILE MD 2.740 . 3.680 2.557 1.799 3.365 0.001 11 0 "[ . 1 . 2]" 1
1679 1 51 VAL HA 2 19 LEU MD2 3.540 . 5.280 4.780 4.156 5.401 0.121 18 0 "[ . 1 . 2]" 1
1680 1 66 MET HA 2 8 ILE HA 3.365 . 4.930 4.897 3.627 5.460 0.530 17 2 "[ . 1 . + -]" 1
1681 1 153 PHE HZ 2 23 TYR QB 3.620 . 4.640 3.362 2.525 4.939 0.299 14 0 "[ . 1 . 2]" 1
1682 1 63 PHE QD 2 12 LEU MD1 3.670 . 5.540 4.618 3.275 5.785 0.245 15 0 "[ . 1 . 2]" 1
1683 1 63 PHE H 2 15 ILE MD 3.490 . 5.180 4.132 2.883 4.632 . 0 0 "[ . 1 . 2]" 1
1684 1 59 HIS HD2 2 15 ILE HA 3.615 . 5.430 4.845 3.124 5.929 0.499 15 0 "[ . 1 . 2]" 1
1685 1 154 PHE QD 2 23 TYR QE 3.265 . 4.730 3.263 2.513 4.134 . 0 0 "[ . 1 . 2]" 1
1686 1 87 HIS QB 2 9 GLY QA 3.650 . 4.080 2.335 1.799 2.950 0.001 1 0 "[ . 1 . 2]" 1
1687 1 55 VAL HB 2 15 ILE MG 3.360 . 4.920 3.807 2.538 4.416 . 0 0 "[ . 1 . 2]" 1
1688 1 55 VAL MG2 2 15 ILE MG 2.485 . 3.170 3.367 2.803 3.589 0.419 20 0 "[ . 1 . 2]" 1
1689 1 51 VAL MG1 2 19 LEU MD2 3.645 . 5.490 2.257 1.917 3.634 . 0 0 "[ . 1 . 2]" 1
1690 1 51 VAL MG2 2 19 LEU MD2 3.645 . 5.490 3.765 1.928 4.647 . 0 0 "[ . 1 . 2]" 1
1691 1 51 VAL MG1 2 19 LEU MD1 3.645 . 5.490 2.512 1.902 4.663 . 0 0 "[ . 1 . 2]" 1
1692 1 51 VAL MG2 2 19 LEU MD1 3.645 . 5.490 3.828 2.368 4.582 . 0 0 "[ . 1 . 2]" 1
1693 1 51 VAL HA 2 19 LEU MD1 3.540 . 5.280 4.281 3.407 4.912 . 0 0 "[ . 1 . 2]" 1
1694 1 154 PHE QE 2 20 ASN HA 3.230 . 4.660 4.185 3.348 5.166 0.506 7 1 "[ . + 1 . 2]" 1
1695 1 153 PHE QD 2 24 GLU HA 3.525 . 5.250 4.894 4.499 5.747 0.497 10 0 "[ . 1 . 2]" 1
1696 1 153 PHE QD 2 24 GLU QB 3.650 . 4.830 5.218 4.185 5.416 0.586 12 8 "[ . ***+*-.* * 2]" 1
1697 1 105 PHE HA 2 12 LEU MD1 3.535 . 5.270 4.689 3.921 5.608 0.338 18 0 "[ . 1 . 2]" 1
1698 1 59 HIS HE1 2 15 ILE MD 3.430 . 5.060 4.493 3.099 5.585 0.525 13 1 "[ . 1 + . 2]" 1
1699 1 63 PHE QD 2 12 LEU MD2 3.420 . 5.040 4.594 3.303 5.610 0.570 11 6 "[ *** 1+ *. - 2]" 1
1700 1 69 LYS QB 2 4 TRP QB 3.260 . 4.720 3.710 1.951 5.235 0.515 17 1 "[ . 1 . + 2]" 1
1701 1 84 VAL QG 2 5 ALA HA 2.860 . 3.920 2.928 1.869 3.640 . 0 0 "[ . 1 . 2]" 1
1702 1 84 VAL QG 2 5 ALA MB 2.735 . 3.670 3.005 2.449 3.954 0.284 18 0 "[ . 1 . 2]" 1
1703 1 66 MET HA 2 8 ILE QG 3.390 . 4.980 3.891 1.767 5.532 0.552 14 2 "[ . - 1 +. 2]" 1
1704 1 84 VAL QG 2 9 GLY QA 2.910 . 4.020 2.790 2.100 3.417 . 0 0 "[ . 1 . 2]" 1
1705 1 88 VAL QG 2 9 GLY QA 3.325 . 4.850 2.716 2.088 3.542 . 0 0 "[ . 1 . 2]" 1
1706 1 63 PHE HA 2 12 LEU QD 3.375 . 4.950 4.262 3.900 4.792 . 0 0 "[ . 1 . 2]" 1
1707 1 63 PHE QD 2 12 LEU QD 2.695 . 3.590 3.710 3.249 4.006 0.416 9 0 "[ . 1 . 2]" 1
1708 1 63 PHE QE 2 12 LEU QD 2.670 . 3.540 2.726 1.795 3.256 0.005 7 0 "[ . 1 . 2]" 1
1709 1 105 PHE H 2 12 LEU QD 3.260 . 4.720 3.791 3.224 4.242 . 0 0 "[ . 1 . 2]" 1
1710 1 105 PHE HA 2 12 LEU QD 2.965 . 4.130 3.986 3.731 4.405 0.275 20 0 "[ . 1 . 2]" 1
1711 1 105 PHE QB 2 12 LEU QD 2.630 . 3.460 2.162 1.790 2.651 0.010 3 0 "[ . 1 . 2]" 1
1712 1 105 PHE QD 2 12 LEU QD 2.840 . 3.880 2.635 1.950 3.159 . 0 0 "[ . 1 . 2]" 1
1713 1 105 PHE QE 2 12 LEU QD 2.830 . 3.860 3.359 2.547 4.198 0.338 14 0 "[ . 1 . 2]" 1
1714 1 55 VAL QG 2 15 ILE MD 2.730 . 3.660 3.376 2.773 4.173 0.513 7 1 "[ . + 1 . 2]" 1
1715 1 88 VAL QG 2 16 ALA MB 3.125 . 4.450 3.112 2.427 3.825 . 0 0 "[ . 1 . 2]" 1
1716 1 51 VAL QG 2 19 LEU HA 3.495 . 5.190 5.415 4.920 5.806 0.616 14 7 "[ * *. * *+.* - 2]" 1
1717 1 51 VAL HA 2 19 LEU QD 3.175 . 4.550 3.977 3.260 4.558 0.008 18 0 "[ . 1 . 2]" 1
1718 1 51 VAL QG 2 19 LEU QD 2.515 . 3.230 1.963 1.714 2.365 0.086 9 0 "[ . 1 . 2]" 1
1719 1 97 GLY QA 2 19 LEU QD 2.615 . 3.430 2.286 1.841 2.831 . 0 0 "[ . 1 . 2]" 1
1720 1 101 THR H 2 19 LEU QD 3.620 . 5.440 3.875 3.300 5.175 . 0 0 "[ . 1 . 2]" 1
1721 1 154 PHE QD 2 19 LEU QD 3.620 . 5.440 4.470 3.818 5.030 . 0 0 "[ . 1 . 2]" 1
1722 1 154 PHE QE 2 19 LEU QD 2.435 . 3.070 2.958 2.493 3.416 0.346 7 0 "[ . 1 . 2]" 1
1723 1 98 ARG QD 2 20 ASN QB 3.165 . 4.530 4.950 4.555 5.093 0.563 18 9 "[ * **-* *. *+ *]" 1
1724 1 153 PHE HZ 2 20 ASN QB 3.570 . 5.340 4.917 2.877 5.852 0.512 13 1 "[ . 1 + . 2]" 1
1725 1 51 VAL QG 2 23 TYR QE 3.375 . 4.950 3.806 2.852 5.063 0.113 4 0 "[ . 1 . 2]" 1
1726 1 101 THR MG 2 15 ILE H 3.220 . 4.640 4.455 4.083 4.841 0.201 8 0 "[ . 1 . 2]" 1
1727 1 153 PHE HZ 2 23 TYR H 3.445 . 5.090 4.968 4.275 5.653 0.563 6 4 "[ .+- 1 * . * 2]" 1
1728 1 87 HIS HD2 2 9 GLY H 3.485 . 5.170 4.757 3.828 5.725 0.555 19 1 "[ . 1 . +2]" 1
1729 1 153 PHE HZ 2 24 GLU H 3.305 . 4.810 3.213 2.663 3.804 . 0 0 "[ . 1 . 2]" 1
1730 1 153 PHE HZ 2 25 ARG H 3.510 . 5.220 5.237 4.874 5.804 0.584 14 2 "[ . - +. 2]" 1
1731 1 66 MET ME 2 11 GLN HE21 3.405 . 5.010 4.559 3.162 5.415 0.405 13 0 "[ . 1 . 2]" 1
1732 1 66 MET ME 2 11 GLN HE22 3.405 . 5.010 4.879 3.852 5.552 0.542 14 2 "[ . 1 +- 2]" 1
1733 1 87 HIS QB 2 9 GLY H 3.160 . 4.520 4.056 3.620 4.992 0.472 18 0 "[ . 1 . 2]" 1
1734 1 88 VAL HA 2 13 ARG H 3.175 . 4.550 4.488 4.030 4.931 0.381 14 0 "[ . 1 . 2]" 1
1735 1 88 VAL QG 2 13 ARG HE 3.650 . 5.500 4.566 4.016 5.328 . 0 0 "[ . 1 . 2]" 1
1736 1 153 PHE HZ 2 20 ASN HD21 3.650 . 5.500 4.333 2.988 5.549 0.049 13 0 "[ . 1 . 2]" 1
1737 1 153 PHE HZ 2 20 ASN HD22 3.650 . 5.500 3.768 2.983 5.180 . 0 0 "[ . 1 . 2]" 1
1738 1 98 ARG H 2 20 ASN HD21 3.650 . 5.500 5.525 4.433 6.068 0.568 13 4 "[ *. 1 + . *- 2]" 1
1739 1 98 ARG H 2 20 ASN HD22 3.650 . 5.500 5.593 4.066 6.146 0.646 9 6 "[ *. *+1 . -* *]" 1
1740 1 84 VAL QG 2 9 GLY H 3.315 . 4.830 3.442 2.771 3.859 . 0 0 "[ . 1 . 2]" 1
1741 1 84 VAL QG 2 10 ALA H 3.620 . 5.440 5.273 4.577 5.744 0.304 9 0 "[ . 1 . 2]" 1
1742 1 66 MET ME 2 11 GLN QE 3.105 . 4.410 4.147 3.025 4.860 0.450 15 0 "[ . 1 . 2]" 1
1743 1 84 VAL QG 2 12 LEU H 3.415 . 5.030 4.941 4.326 5.348 0.318 3 0 "[ . 1 . 2]" 1
1744 1 88 VAL QG 2 16 ALA H 3.620 . 5.440 4.748 4.094 5.468 0.028 14 0 "[ . 1 . 2]" 1
1745 1 97 GLY QA 2 19 LEU H 3.485 . 5.170 5.023 4.620 5.701 0.531 14 1 "[ . 1 +. 2]" 1
1746 1 97 GLY QA 2 20 ASN H 3.040 . 4.280 3.110 2.640 4.178 . 0 0 "[ . 1 . 2]" 1
1747 1 97 GLY QA 2 20 ASN QD 3.490 . 5.180 3.624 2.265 4.785 . 0 0 "[ . 1 . 2]" 1
1748 1 153 PHE HZ 2 20 ASN QD 3.320 . 4.840 3.509 2.729 4.492 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 404
_Distance_constraint_stats_list.Viol_count 1174
_Distance_constraint_stats_list.Viol_total 6549.898
_Distance_constraint_stats_list.Viol_max 0.682
_Distance_constraint_stats_list.Viol_rms 0.1175
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0405
_Distance_constraint_stats_list.Viol_average_violations_only 0.2790
_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 7 ASP 11.212 0.568 17 7 "[*** . *1 - .*+ 2]"
1 8 ASP 3.159 0.628 8 4 "[ . + 1* * - 2]"
1 9 LEU 10.835 0.490 11 0 "[ . 1 . 2]"
1 10 TYR 22.739 0.568 17 8 "[*** . **1 - .*+ 2]"
1 11 ARG 3.159 0.628 8 4 "[ . + 1* * - 2]"
1 12 GLN 22.566 0.658 16 16 "[** *- **** ***+****]"
1 13 SER 18.792 0.564 15 3 "[ -. 1 + *2]"
1 14 LEU 8.443 0.537 8 1 "[ . + 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 22.252 0.658 16 16 "[** *- **** ***+****]"
1 17 ILE 5.186 0.505 4 1 "[ +. 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 TYR 2.693 0.419 8 0 "[ . 1 . 2]"
1 21 LEU 8.014 0.506 13 1 "[ . 1 + . 2]"
1 23 GLU 2.096 0.419 8 0 "[ . 1 . 2]"
1 24 GLN 8.611 0.506 13 1 "[ . 1 + . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 12.800 0.527 19 6 "[ * .* 1 * -. * +2]"
1 37 ALA 8.556 0.471 6 0 "[ . 1 . 2]"
1 38 GLY 8.483 0.527 19 6 "[ * .* 1 * -. * +2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 4.238 0.443 11 0 "[ . 1 . 2]"
1 43 ARG 4.716 0.442 15 0 "[ . 1 . 2]"
1 44 ALA 1.016 0.283 16 0 "[ . 1 . 2]"
1 45 LEU 5.411 0.518 12 1 "[ . 1 + . 2]"
1 46 GLU 6.011 0.596 6 1 "[ .+ 1 . 2]"
1 47 THR 3.128 0.425 15 0 "[ . 1 . 2]"
1 48 LEU 3.175 0.342 19 0 "[ . 1 . 2]"
1 49 ARG 3.743 0.596 6 2 "[ .+ 1 - . 2]"
1 50 ARG 0.072 0.072 6 0 "[ . 1 . 2]"
1 51 VAL 4.275 0.586 8 1 "[ . + 1 . 2]"
1 52 GLY 2.568 0.533 7 3 "[ . +- 1 . *]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 17.779 0.586 8 3 "[ . *+ 1 . *]"
1 56 GLN 0.945 0.519 20 1 "[ . 1 . +]"
1 57 ARG 0.492 0.227 3 0 "[ . 1 . 2]"
1 58 ASN 5.688 0.496 10 0 "[ . 1 . 2]"
1 59 HIS 13.672 0.519 20 1 "[ . 1 . +]"
1 60 GLU 0.492 0.227 3 0 "[ . 1 . 2]"
1 61 THR 11.873 0.491 10 0 "[ . 1 . 2]"
1 62 ALA 4.840 0.424 2 0 "[ . 1 . 2]"
1 63 PHE 8.610 0.447 4 0 "[ . 1 . 2]"
1 64 GLN 9.996 0.682 5 3 "[ + 1 .- * 2]"
1 65 GLY 5.522 0.488 14 0 "[ . 1 . 2]"
1 66 MET 9.405 0.447 4 0 "[ . 1 . 2]"
1 67 LEU 14.745 0.682 5 4 "[ - + 1 .* * 2]"
1 68 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LYS 0.396 0.220 1 0 "[ . 1 . 2]"
1 70 LEU 12.679 0.529 18 2 "[ - . 1 . + 2]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 4.571 0.434 20 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 13.441 0.630 4 5 "[ * +. 1- .** 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 PHE 8.871 0.630 4 5 "[ * +. 1- .** 2]"
1 82 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 VAL 3.601 0.562 4 2 "[ +. 1 -. 2]"
1 85 MET 7.237 0.509 1 1 "[+ . 1 . 2]"
1 86 VAL 1.742 0.493 20 0 "[ . 1 . 2]"
1 87 HIS 3.601 0.562 4 2 "[ +. 1 -. 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 7.319 0.509 1 1 "[+ . 1 . 2]"
1 90 LYS 1.742 0.493 20 0 "[ . 1 . 2]"
1 93 VAL 0.044 0.044 19 0 "[ . 1 . 2]"
1 94 THR 4.598 0.589 7 2 "[ . + 1 - . 2]"
1 95 ASN 7.418 0.560 10 3 "[ * -. + . 2]"
1 96 TRP 11.855 0.578 4 10 "[***+. 1**-** * 2]"
1 97 GLY 6.700 0.437 15 0 "[ . 1 . 2]"
1 98 ARG 6.898 0.560 10 3 "[ * -. + . 2]"
1 99 ILE 21.768 0.589 7 13 "[****-*+ 1***** * 2]"
1 100 VAL 9.221 0.437 15 0 "[ . 1 . 2]"
1 101 THR 1.118 0.331 10 0 "[ . 1 . 2]"
1 102 LEU 7.092 0.534 6 4 "[ -+ 1** . 2]"
1 103 ILE 0.462 0.261 15 0 "[ . 1 . 2]"
1 104 SER 1.118 0.331 10 0 "[ . 1 . 2]"
1 105 PHE 0.539 0.184 7 0 "[ . 1 . 2]"
1 106 GLY 0.200 0.109 17 0 "[ . 1 . 2]"
1 107 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 PHE 0.021 0.021 5 0 "[ . 1 . 2]"
1 109 VAL 0.519 0.184 7 0 "[ . 1 . 2]"
1 110 ALA 4.325 0.471 13 0 "[ . 1 . 2]"
1 111 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 HIS 0.919 0.438 17 0 "[ . 1 . 2]"
1 113 LEU 8.480 0.522 18 4 "[ * .- 1 . + *]"
1 114 LYS 9.280 0.549 18 2 "[ . 1 -. + 2]"
1 116 VAL 6.292 0.522 18 4 "[ * .- 1 . + *]"
1 119 GLU 14.542 0.565 2 5 "[ + . 1* *.- * 2]"
1 120 SER 8.058 0.460 3 0 "[ . 1 . 2]"
1 121 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 ILE 6.647 0.565 2 3 "[ + . 1* .- 2]"
1 123 GLU 8.058 0.460 3 0 "[ . 1 . 2]"
1 124 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 LEU 5.571 0.566 5 2 "[ + 1 . -2]"
1 126 ALA 0.165 0.099 12 0 "[ . 1 . 2]"
1 127 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 THR 3.719 0.403 4 0 "[ . 1 . 2]"
1 129 ILE 12.626 0.566 5 2 "[ + 1 . -2]"
1 130 THR 0.385 0.385 2 0 "[ . 1 . 2]"
1 131 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 VAL 13.531 0.396 20 0 "[ . 1 . 2]"
1 133 LEU 0.906 0.404 11 0 "[ . 1 . 2]"
1 134 VAL 0.385 0.385 2 0 "[ . 1 . 2]"
1 135 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 THR 3.515 0.404 11 0 "[ . 1 . 2]"
1 137 LYS 0.148 0.108 5 0 "[ . 1 . 2]"
1 138 ARG 4.912 0.453 1 0 "[ . 1 . 2]"
1 139 ASP 10.415 0.523 4 5 "[ * +* * - 2]"
1 140 TRP 3.678 0.569 5 4 "[ - + *1 * . 2]"
1 141 LEU 16.743 0.577 14 6 "[ *. ** 1 +.* -2]"
1 142 VAL 10.783 0.523 4 5 "[ * +* * - 2]"
1 143 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 GLN 3.678 0.569 5 4 "[ - + *1 * . 2]"
1 145 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 GLY 12.199 0.577 14 6 "[ *. ** 1 +.* -2]"
1 147 TRP 6.132 0.539 6 1 "[ .+ 1 . 2]"
1 148 ASP 2.827 0.489 14 0 "[ . 1 . 2]"
1 149 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 150 PHE 0.495 0.326 15 0 "[ . 1 . 2]"
1 151 VAL 8.633 0.539 6 1 "[ .+ 1 . 2]"
1 152 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 154 PHE 0.169 0.169 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 130 THR HA 1 133 LEU QB 3.540 . 5.280 2.600 2.118 3.083 . 0 0 "[ . 1 . 2]" 2
2 1 141 LEU HA 1 144 GLN H 3.615 . 5.430 3.590 3.042 4.239 . 0 0 "[ . 1 . 2]" 2
3 1 48 LEU HA 1 51 VAL H 3.250 . 4.700 3.819 3.522 3.961 . 0 0 "[ . 1 . 2]" 2
4 1 89 PHE QE 1 94 THR HA 3.345 . 4.890 3.176 2.345 4.581 . 0 0 "[ . 1 . 2]" 2
5 1 89 PHE QD 1 94 THR HA 3.410 . 5.020 3.189 2.320 4.537 . 0 0 "[ . 1 . 2]" 2
6 1 123 GLU HA 1 126 ALA MB 3.175 . 4.550 3.098 2.627 3.467 . 0 0 "[ . 1 . 2]" 2
7 1 10 TYR HA 1 14 LEU QD 3.055 . 3.490 3.911 3.843 4.027 0.537 8 1 "[ . + 1 . 2]" 2
8 1 41 GLY QA 1 44 ALA MB 2.955 . 3.530 2.444 1.889 2.936 . 0 0 "[ . 1 . 2]" 2
9 1 65 GLY QA 1 68 ARG QB 3.350 . 4.900 3.109 2.164 3.972 . 0 0 "[ . 1 . 2]" 2
10 1 97 GLY QA 1 100 VAL MG1 2.780 . 3.760 3.458 1.839 4.166 0.406 6 0 "[ . 1 . 2]" 2
11 1 106 GLY QA 1 109 VAL H 3.650 . 3.900 3.279 3.167 3.384 . 0 0 "[ . 1 . 2]" 2
12 1 109 VAL HA 1 112 HIS H 3.405 . 5.010 3.352 3.143 3.574 . 0 0 "[ . 1 . 2]" 2
13 1 54 GLY QA 1 57 ARG QB 3.465 . 4.490 3.110 2.735 4.226 . 0 0 "[ . 1 . 2]" 2
14 1 51 VAL HA 1 55 VAL H 3.140 . 4.480 3.824 3.338 4.162 . 0 0 "[ . 1 . 2]" 2
15 1 75 GLU HA 1 78 VAL MG1 3.450 . 5.100 4.643 2.719 5.336 0.236 20 0 "[ . 1 . 2]" 2
16 1 94 THR MG 1 99 ILE MD 2.800 . 3.800 2.598 1.781 3.206 0.019 8 0 "[ . 1 . 2]" 2
17 1 94 THR MG 1 99 ILE HB 3.550 . 5.300 5.415 4.597 5.889 0.589 7 2 "[ . + 1 - . 2]" 2
18 1 89 PHE QE 1 94 THR MG 2.980 . 4.160 2.699 1.907 3.700 . 0 0 "[ . 1 . 2]" 2
19 1 97 GLY QA 1 100 VAL MG2 2.780 . 3.760 2.599 1.793 4.197 0.437 15 0 "[ . 1 . 2]" 2
20 1 60 GLU HA 1 63 PHE QB 3.650 . 4.780 2.669 2.354 3.244 . 0 0 "[ . 1 . 2]" 2
21 1 96 TRP HZ3 1 99 ILE MD 2.940 . 4.080 2.739 2.034 4.224 0.144 7 0 "[ . 1 . 2]" 2
22 1 55 VAL HA 1 58 ASN QB 3.465 . 5.130 2.493 1.945 4.199 . 0 0 "[ . 1 . 2]" 2
23 1 12 GLN QG 1 16 ILE MD 3.195 . 3.820 3.295 1.804 4.229 0.409 20 0 "[ . 1 . 2]" 2
24 1 16 ILE MG 1 19 ARG H 3.650 . 5.500 4.964 4.782 5.199 . 0 0 "[ . 1 . 2]" 2
25 1 13 SER HG 1 16 ILE MD 3.650 . 5.500 5.745 5.340 6.064 0.564 15 2 "[ . 1 + -2]" 2
26 1 113 LEU HA 1 116 VAL MG1 3.255 . 4.710 4.742 2.447 5.232 0.522 18 4 "[ * .- 1 . + *]" 2
27 1 96 TRP HA 1 99 ILE MG 3.190 . 4.580 4.186 3.854 4.637 0.057 20 0 "[ . 1 . 2]" 2
28 1 96 TRP HZ3 1 99 ILE MG 2.865 . 3.930 2.775 2.326 3.212 . 0 0 "[ . 1 . 2]" 2
29 1 96 TRP HA 1 99 ILE MD 2.990 . 4.180 2.432 1.864 3.831 . 0 0 "[ . 1 . 2]" 2
30 1 34 LEU MD1 1 37 ALA MB 2.810 . 3.820 3.814 2.019 4.291 0.471 6 0 "[ . 1 . 2]" 2
31 1 132 VAL HA 1 136 THR H 3.325 . 4.850 3.680 3.434 3.962 . 0 0 "[ . 1 . 2]" 2
32 1 34 LEU MD2 1 37 ALA MB 2.810 . 3.820 2.472 1.930 4.098 0.278 20 0 "[ . 1 . 2]" 2
33 1 84 VAL HA 1 87 HIS QB 3.160 . 4.520 2.378 2.073 2.627 . 0 0 "[ . 1 . 2]" 2
34 1 56 GLN HA 1 59 HIS H 3.335 . 4.870 3.932 3.596 4.252 . 0 0 "[ . 1 . 2]" 2
35 1 59 HIS HA 1 62 ALA MB 2.600 . 3.400 3.636 3.318 3.824 0.424 2 0 "[ . 1 . 2]" 2
36 1 59 HIS HA 1 63 PHE H 3.235 . 4.670 4.608 4.414 4.854 0.184 14 0 "[ . 1 . 2]" 2
37 1 62 ALA HA 1 65 GLY H 3.340 . 4.880 3.631 3.428 3.880 . 0 0 "[ . 1 . 2]" 2
38 1 81 PHE HA 1 84 VAL H 3.010 . 4.220 3.317 3.192 3.439 . 0 0 "[ . 1 . 2]" 2
39 1 100 VAL HA 1 103 ILE H 3.650 . 5.500 3.443 3.189 3.690 . 0 0 "[ . 1 . 2]" 2
40 1 102 LEU HA 1 105 PHE QB 3.275 . 4.750 2.940 2.758 3.172 . 0 0 "[ . 1 . 2]" 2
41 1 105 PHE HA 1 108 PHE QB 3.535 . 5.270 2.643 2.459 2.969 . 0 0 "[ . 1 . 2]" 2
42 1 107 ALA HA 1 110 ALA H 3.405 . 5.010 3.369 3.255 3.539 . 0 0 "[ . 1 . 2]" 2
43 1 109 VAL MG1 1 112 HIS QB 4.245 . 6.690 3.554 3.181 4.023 . 0 0 "[ . 1 . 2]" 2
44 1 111 LYS HA 1 114 LYS H 3.575 . 5.350 3.475 3.132 3.741 . 0 0 "[ . 1 . 2]" 2
45 1 110 ALA HA 1 113 LEU QB 3.415 . 4.240 2.467 2.143 2.932 . 0 0 "[ . 1 . 2]" 2
46 1 128 THR HA 1 131 ASP QB 3.210 . 4.620 2.723 2.345 3.195 . 0 0 "[ . 1 . 2]" 2
47 1 132 VAL HA 1 135 ARG H 3.520 . 5.240 3.625 3.160 3.998 . 0 0 "[ . 1 . 2]" 2
48 1 122 ILE HA 1 126 ALA MB 3.165 . 4.530 4.368 4.103 4.629 0.099 12 0 "[ . 1 . 2]" 2
49 1 11 ARG HA 1 14 LEU QB 3.605 . 4.650 2.834 2.313 3.373 . 0 0 "[ . 1 . 2]" 2
50 1 10 TYR QE 1 14 LEU QD 2.805 . 3.330 2.551 2.146 2.999 . 0 0 "[ . 1 . 2]" 2
51 1 44 ALA MB 1 47 THR HB 3.305 . 4.810 4.422 3.931 4.932 0.122 16 0 "[ . 1 . 2]" 2
52 1 72 ILE MG 1 77 ASP QB 2.875 . 3.950 2.253 1.867 2.856 . 0 0 "[ . 1 . 2]" 2
53 1 72 ILE MD 1 77 ASP QB 3.265 . 3.940 2.035 1.859 2.269 . 0 0 "[ . 1 . 2]" 2
54 1 110 ALA MB 1 114 LYS H 3.105 . 4.410 4.420 4.258 4.835 0.425 18 0 "[ . 1 . 2]" 2
55 1 147 TRP HA 1 150 PHE QB 3.505 . 4.580 2.080 1.937 2.379 . 0 0 "[ . 1 . 2]" 2
56 1 45 LEU HA 1 48 LEU QD 3.325 . 4.100 3.407 2.737 3.802 . 0 0 "[ . 1 . 2]" 2
57 1 15 GLU HA 1 18 SER H 3.490 . 5.180 3.781 3.358 4.358 . 0 0 "[ . 1 . 2]" 2
58 1 48 LEU HA 1 52 GLY H 3.495 . 5.190 3.630 3.223 3.889 . 0 0 "[ . 1 . 2]" 2
59 1 48 LEU HA 1 51 VAL HB 3.470 . 5.140 3.491 2.810 5.353 0.213 8 0 "[ . 1 . 2]" 2
60 1 54 GLY QA 1 57 ARG H 3.135 . 4.330 3.545 3.359 3.762 . 0 0 "[ . 1 . 2]" 2
61 1 61 THR HA 1 64 GLN QB 3.280 . 4.120 3.200 2.706 4.253 0.133 5 0 "[ . 1 . 2]" 2
62 1 61 THR HA 1 64 GLN QG 3.180 . 4.560 3.821 2.140 4.512 . 0 0 "[ . 1 . 2]" 2
63 1 84 VAL HA 1 87 HIS H 3.455 . 5.110 3.385 3.251 3.533 . 0 0 "[ . 1 . 2]" 2
64 1 96 TRP HA 1 99 ILE H 2.630 . 3.460 3.322 3.184 3.553 0.093 18 0 "[ . 1 . 2]" 2
65 1 121 PHE HA 1 124 PRO QD 3.590 . 4.620 2.533 2.270 2.952 . 0 0 "[ . 1 . 2]" 2
66 1 127 GLU HA 1 130 THR HB 3.585 . 5.370 3.143 2.710 4.221 . 0 0 "[ . 1 . 2]" 2
67 1 139 ASP HA 1 142 VAL H 3.175 . 4.550 3.592 3.293 3.901 . 0 0 "[ . 1 . 2]" 2
68 1 10 TYR QD 1 14 LEU QD 2.945 . 4.090 2.966 2.596 3.149 . 0 0 "[ . 1 . 2]" 2
69 1 63 PHE HA 1 66 MET ME 2.630 . 3.460 2.289 1.789 3.200 0.011 3 0 "[ . 1 . 2]" 2
70 1 78 VAL MG2 1 81 PHE H 3.570 . 5.340 5.093 4.713 5.275 . 0 0 "[ . 1 . 2]" 2
71 1 85 MET ME 1 89 PHE QE 2.925 . 4.050 3.519 2.845 4.463 0.413 1 0 "[ . 1 . 2]" 2
72 1 99 ILE HA 1 102 LEU MD2 2.945 . 4.090 3.787 3.146 4.611 0.521 11 2 "[ - 1+ . 2]" 2
73 1 99 ILE HA 1 102 LEU MD1 2.945 . 4.090 3.772 2.584 4.624 0.534 6 2 "[ .+ 1 - . 2]" 2
74 1 100 VAL HA 1 103 ILE HB 3.155 . 4.510 2.863 2.606 3.337 . 0 0 "[ . 1 . 2]" 2
75 1 100 VAL HA 1 103 ILE MG 3.135 . 4.470 4.262 4.060 4.731 0.261 15 0 "[ . 1 . 2]" 2
76 1 100 VAL HA 1 103 ILE MD 2.950 . 4.100 2.632 2.245 3.282 . 0 0 "[ . 1 . 2]" 2
77 1 63 PHE H 1 66 MET ME 2.955 . 4.110 3.844 3.048 4.557 0.447 4 0 "[ . 1 . 2]" 2
78 1 13 SER HG 1 17 ILE MD 3.365 . 4.930 5.164 4.571 5.435 0.505 4 1 "[ +. 1 . 2]" 2
79 1 14 LEU HA 1 17 ILE HB 3.570 . 5.340 3.343 3.007 3.613 . 0 0 "[ . 1 . 2]" 2
80 1 14 LEU H 1 17 ILE MD 3.480 . 5.160 4.822 4.474 5.174 0.014 17 0 "[ . 1 . 2]" 2
81 1 126 ALA HA 1 129 ILE H 3.650 . 5.500 3.700 3.517 3.881 . 0 0 "[ . 1 . 2]" 2
82 1 126 ALA HA 1 129 ILE HB 3.455 . 5.110 2.857 2.620 3.209 . 0 0 "[ . 1 . 2]" 2
83 1 148 ASP HA 1 151 VAL MG2 3.030 . 4.260 2.810 2.174 3.596 . 0 0 "[ . 1 . 2]" 2
84 1 9 LEU MD2 1 13 SER HA 3.180 . 4.560 4.783 4.102 5.050 0.490 11 0 "[ . 1 . 2]" 2
85 1 9 LEU MD2 1 13 SER QB 3.055 . 4.310 3.537 2.856 4.032 . 0 0 "[ . 1 . 2]" 2
86 1 9 LEU MD1 1 13 SER QB 3.055 . 4.310 2.493 2.180 2.891 . 0 0 "[ . 1 . 2]" 2
87 1 13 SER HA 1 16 ILE MG 3.265 . 4.730 4.001 3.569 4.453 . 0 0 "[ . 1 . 2]" 2
88 1 73 LYS H 1 77 ASP QB 3.540 . 4.400 3.248 2.780 3.485 . 0 0 "[ . 1 . 2]" 2
89 1 130 THR MG 1 134 VAL H 3.265 . 4.730 4.030 3.718 5.115 0.385 2 0 "[ . 1 . 2]" 2
90 1 125 LEU MD2 1 129 ILE H 3.635 . 5.470 5.300 3.963 5.674 0.204 7 0 "[ . 1 . 2]" 2
91 1 125 LEU MD1 1 129 ILE H 3.635 . 5.470 4.111 3.575 6.036 0.566 5 2 "[ + 1 . -2]" 2
92 1 138 ARG HA 1 141 LEU MD2 2.885 . 3.970 3.400 1.823 4.414 0.444 14 0 "[ . 1 . 2]" 2
93 1 138 ARG HA 1 141 LEU MD1 2.885 . 3.970 3.488 1.785 4.423 0.453 1 0 "[ . 1 . 2]" 2
94 1 104 SER HA 1 107 ALA MB 2.895 . 3.990 2.613 2.404 2.791 . 0 0 "[ . 1 . 2]" 2
95 1 107 ALA HA 1 111 LYS H 3.550 . 5.300 4.157 3.890 4.406 . 0 0 "[ . 1 . 2]" 2
96 1 138 ARG HA 1 141 LEU QB 3.285 . 4.230 3.202 2.425 4.483 0.253 17 0 "[ . 1 . 2]" 2
97 1 139 ASP QB 1 142 VAL MG1 3.285 . 4.770 5.088 4.724 5.279 0.509 2 3 "[ + . * - 2]" 2
98 1 139 ASP HA 1 142 VAL MG2 3.055 . 4.310 3.028 1.737 3.831 0.063 17 0 "[ . 1 . 2]" 2
99 1 139 ASP QB 1 142 VAL MG2 3.285 . 4.770 4.497 3.328 5.131 0.361 2 0 "[ . 1 . 2]" 2
100 1 9 LEU HA 1 12 GLN QB 2.900 . 4.000 2.800 2.524 3.066 . 0 0 "[ . 1 . 2]" 2
101 1 9 LEU HA 1 13 SER H 3.185 . 4.570 3.717 3.472 3.883 . 0 0 "[ . 1 . 2]" 2
102 1 12 GLN H 1 16 ILE MD 3.360 . 4.920 5.315 5.061 5.467 0.547 16 7 "[* - * * *+* 2]" 2
103 1 125 LEU HA 1 128 THR HB 3.485 . 5.170 2.766 2.477 3.013 . 0 0 "[ . 1 . 2]" 2
104 1 47 THR HA 1 50 ARG QB 2.790 . 3.780 2.870 2.436 3.852 0.072 6 0 "[ . 1 . 2]" 2
105 1 45 LEU MD1 1 49 ARG HE 3.445 . 5.090 4.197 1.836 5.608 0.518 12 1 "[ . 1 + . 2]" 2
106 1 45 LEU MD2 1 49 ARG HE 3.445 . 5.090 4.119 2.651 5.446 0.356 12 0 "[ . 1 . 2]" 2
107 1 124 PRO HA 1 127 GLU H 3.345 . 4.890 3.717 3.452 4.045 . 0 0 "[ . 1 . 2]" 2
108 1 113 LEU HA 1 116 VAL MG2 3.255 . 4.710 3.016 2.098 5.196 0.486 8 0 "[ . 1 . 2]" 2
109 1 119 GLU HA 1 122 ILE MG 3.080 . 4.360 3.807 3.358 3.969 . 0 0 "[ . 1 . 2]" 2
110 1 119 GLU HA 1 122 ILE MD 2.770 . 3.740 1.842 1.784 1.948 0.016 2 0 "[ . 1 . 2]" 2
111 1 119 GLU QB 1 122 ILE MD 2.900 . 4.000 3.138 2.231 3.446 . 0 0 "[ . 1 . 2]" 2
112 1 119 GLU QB 1 122 ILE MG 3.125 . 4.450 4.580 3.398 4.952 0.502 16 1 "[ . 1 .+ 2]" 2
113 1 119 GLU H 1 122 ILE MD 3.455 . 5.110 3.722 3.495 3.925 . 0 0 "[ . 1 . 2]" 2
114 1 119 GLU QG 1 122 ILE MD 3.215 . 4.630 2.334 1.772 4.149 0.028 17 0 "[ . 1 . 2]" 2
115 1 119 GLU HA 1 122 ILE HB 3.650 . 5.500 2.573 1.949 2.818 . 0 0 "[ . 1 . 2]" 2
116 1 119 GLU QG 1 122 ILE MG 3.160 . 4.520 4.179 3.344 5.085 0.565 2 2 "[ + . 1- . 2]" 2
117 1 148 ASP HA 1 151 VAL MG1 3.030 . 4.260 4.131 3.201 4.749 0.489 14 0 "[ . 1 . 2]" 2
118 1 47 THR MG 1 51 VAL MG2 3.075 . 4.350 2.665 2.168 4.416 0.066 11 0 "[ . 1 . 2]" 2
119 1 47 THR MG 1 51 VAL MG1 3.075 . 4.350 4.223 2.992 4.775 0.425 15 0 "[ . 1 . 2]" 2
120 1 110 ALA HA 1 113 LEU MD2 3.145 . 4.490 3.744 2.636 4.955 0.465 17 0 "[ . 1 . 2]" 2
121 1 110 ALA HA 1 113 LEU MD1 3.145 . 4.490 3.580 1.866 4.961 0.471 13 0 "[ . 1 . 2]" 2
122 1 13 SER HA 1 16 ILE MD 2.945 . 4.090 3.229 2.667 3.772 . 0 0 "[ . 1 . 2]" 2
123 1 40 ALA HA 1 43 ARG H 3.210 . 4.620 3.510 3.350 3.721 . 0 0 "[ . 1 . 2]" 2
124 1 9 LEU MD1 1 13 SER HG 3.375 . 4.950 2.496 2.190 3.593 . 0 0 "[ . 1 . 2]" 2
125 1 9 LEU MD2 1 13 SER HG 3.375 . 4.950 3.978 3.212 5.015 0.065 15 0 "[ . 1 . 2]" 2
126 1 105 PHE HA 1 108 PHE QD 3.370 . 4.940 4.032 3.562 4.403 . 0 0 "[ . 1 . 2]" 2
127 1 53 ASP HA 1 56 GLN QB 3.325 . 4.210 2.384 1.999 2.704 . 0 0 "[ . 1 . 2]" 2
128 1 139 ASP HA 1 142 VAL MG1 3.055 . 4.310 3.984 3.276 4.375 0.065 1 0 "[ . 1 . 2]" 2
129 1 133 LEU HA 1 136 THR MG 2.815 . 3.830 3.225 2.395 4.234 0.404 11 0 "[ . 1 . 2]" 2
130 1 65 GLY QA 1 69 LYS QB 3.615 . 5.430 4.968 4.270 5.650 0.220 1 0 "[ . 1 . 2]" 2
131 1 86 VAL QG 1 89 PHE H 3.255 . 4.710 4.347 4.026 4.621 . 0 0 "[ . 1 . 2]" 2
132 1 63 PHE QD 1 66 MET ME 2.455 . 3.110 3.091 2.079 3.452 0.342 15 0 "[ . 1 . 2]" 2
133 1 78 VAL HA 1 81 PHE QD 3.475 . 5.150 4.250 3.594 4.598 . 0 0 "[ . 1 . 2]" 2
134 1 75 GLU HA 1 78 VAL MG2 3.450 . 5.100 2.706 2.089 4.404 . 0 0 "[ . 1 . 2]" 2
135 1 78 VAL MG1 1 81 PHE QB 3.445 . 5.090 3.464 2.970 3.861 . 0 0 "[ . 1 . 2]" 2
136 1 78 VAL MG2 1 81 PHE QB 3.445 . 5.090 4.185 3.855 4.438 . 0 0 "[ . 1 . 2]" 2
137 1 84 VAL MG1 1 87 HIS H 3.650 . 5.500 4.557 4.334 4.712 . 0 0 "[ . 1 . 2]" 2
138 1 84 VAL MG2 1 87 HIS H 3.650 . 5.500 5.127 5.048 5.223 . 0 0 "[ . 1 . 2]" 2
139 1 101 THR HA 1 104 SER H 3.495 . 5.190 3.349 3.063 3.641 . 0 0 "[ . 1 . 2]" 2
140 1 101 THR MG 1 104 SER H 3.315 . 4.830 4.752 4.442 5.161 0.331 10 0 "[ . 1 . 2]" 2
141 1 125 LEU HA 1 128 THR MG 2.870 . 3.940 4.114 3.808 4.343 0.403 4 0 "[ . 1 . 2]" 2
142 1 129 ILE HA 1 132 VAL QG . . 3.300 3.457 2.217 3.667 0.367 13 0 "[ . 1 . 2]" 2
143 1 16 ILE HA 1 19 ARG QB 3.465 . 4.430 2.854 2.383 3.192 . 0 0 "[ . 1 . 2]" 2
144 1 17 ILE MG 1 20 TYR QD 3.650 . 5.500 3.825 3.234 4.381 . 0 0 "[ . 1 . 2]" 2
145 1 21 LEU HA 1 24 GLN QB 3.375 . 4.950 2.722 2.211 3.143 . 0 0 "[ . 1 . 2]" 2
146 1 51 VAL MG1 1 55 VAL MG2 3.050 . 4.300 2.706 2.074 4.777 0.477 8 0 "[ . 1 . 2]" 2
147 1 139 ASP HA 1 142 VAL HB 2.875 . 3.950 3.034 2.284 4.473 0.523 4 2 "[ +- 1 . 2]" 2
148 1 37 ALA MB 1 41 GLY QA 2.845 . 3.330 2.768 2.440 2.987 . 0 0 "[ . 1 . 2]" 2
149 1 60 GLU HA 1 64 GLN QG 3.650 . 5.500 3.630 2.732 5.318 . 0 0 "[ . 1 . 2]" 2
150 1 10 TYR HA 1 13 SER H 3.290 . 4.780 3.765 3.599 3.971 . 0 0 "[ . 1 . 2]" 2
151 1 78 VAL MG1 1 81 PHE QD 3.480 . 5.160 4.732 4.290 5.421 0.261 14 0 "[ . 1 . 2]" 2
152 1 78 VAL MG2 1 81 PHE QD 3.480 . 5.160 5.368 4.717 5.790 0.630 4 5 "[ * +. 1- .** 2]" 2
153 1 120 SER HA 1 123 GLU QB 2.810 . 3.820 4.114 3.538 4.259 0.439 16 0 "[ . 1 . 2]" 2
154 1 120 SER HA 1 123 GLU QG 2.905 . 4.010 3.542 2.628 4.470 0.460 3 0 "[ . 1 . 2]" 2
155 1 76 GLY QA 1 79 LYS H 3.650 . 5.500 3.522 3.184 3.750 . 0 0 "[ . 1 . 2]" 2
156 1 77 ASP HA 1 80 SER QB 3.325 . 4.180 3.208 2.437 4.023 . 0 0 "[ . 1 . 2]" 2
157 1 108 PHE HA 1 111 LYS QB 3.255 . 4.710 2.643 2.233 4.217 . 0 0 "[ . 1 . 2]" 2
158 1 72 ILE HA 1 77 ASP QB 3.075 . 4.350 2.640 2.134 2.970 . 0 0 "[ . 1 . 2]" 2
159 1 84 VAL MG1 1 87 HIS QB 3.480 . 5.160 3.467 3.225 3.648 . 0 0 "[ . 1 . 2]" 2
160 1 84 VAL MG2 1 87 HIS QB 3.480 . 5.160 4.094 3.797 4.320 . 0 0 "[ . 1 . 2]" 2
161 1 78 VAL MG1 1 81 PHE H 3.570 . 5.340 4.617 4.350 5.080 . 0 0 "[ . 1 . 2]" 2
162 1 17 ILE MG 1 21 LEU H 3.450 . 5.100 3.784 3.630 4.012 . 0 0 "[ . 1 . 2]" 2
163 1 103 ILE MG 1 106 GLY H 3.245 . 4.690 4.586 4.442 4.799 0.109 17 0 "[ . 1 . 2]" 2
164 1 34 LEU MD1 1 38 GLY H 3.330 . 4.860 5.152 3.988 5.387 0.527 19 6 "[ * .* 1 * -. * +2]" 2
165 1 34 LEU MD2 1 38 GLY H 3.330 . 4.860 4.264 3.346 5.298 0.438 20 0 "[ . 1 . 2]" 2
166 1 37 ALA MB 1 41 GLY H 2.845 . 3.890 4.057 3.595 4.333 0.443 11 0 "[ . 1 . 2]" 2
167 1 109 VAL MG2 1 112 HIS QB 4.245 . 6.690 4.105 3.847 4.508 . 0 0 "[ . 1 . 2]" 2
168 1 63 PHE QE 1 66 MET ME 2.665 . 3.530 3.596 2.484 3.903 0.373 12 0 "[ . 1 . 2]" 2
169 1 64 GLN HA 1 67 LEU QD 2.960 . 3.600 2.968 2.241 3.311 . 0 0 "[ . 1 . 2]" 2
170 1 96 TRP HE3 1 99 ILE MD 3.005 . 4.210 2.490 2.073 4.183 . 0 0 "[ . 1 . 2]" 2
171 1 96 TRP HE3 1 99 ILE MG 2.960 . 4.120 3.154 2.918 3.454 . 0 0 "[ . 1 . 2]" 2
172 1 96 TRP HE3 1 99 ILE HB 3.445 . 5.090 2.584 2.323 2.763 . 0 0 "[ . 1 . 2]" 2
173 1 96 TRP HE3 1 99 ILE HA 3.455 . 5.110 5.543 5.237 5.688 0.578 4 10 "[***+. 1**-** * 2]" 2
174 1 96 TRP HA 1 99 ILE HB 2.920 . 4.040 2.858 2.436 3.409 . 0 0 "[ . 1 . 2]" 2
175 1 100 VAL HA 1 104 SER H 3.485 . 5.170 3.851 3.609 4.036 . 0 0 "[ . 1 . 2]" 2
176 1 121 PHE HA 1 124 PRO QG 3.405 . 4.400 2.656 2.093 2.882 . 0 0 "[ . 1 . 2]" 2
177 1 55 VAL MG1 1 59 HIS HD2 3.030 . 4.260 3.059 1.989 3.765 . 0 0 "[ . 1 . 2]" 2
178 1 55 VAL MG2 1 59 HIS HD2 3.030 . 4.260 4.567 3.956 4.759 0.499 19 0 "[ . 1 . 2]" 2
179 1 52 GLY QA 1 55 VAL H 3.315 . 4.130 3.649 3.498 3.847 . 0 0 "[ . 1 . 2]" 2
180 1 52 GLY QA 1 55 VAL HB 3.550 . 4.560 3.811 3.008 5.093 0.533 7 3 "[ . +- 1 . *]" 2
181 1 105 PHE QD 1 109 VAL MG1 3.650 . 5.500 5.438 5.242 5.684 0.184 7 0 "[ . 1 . 2]" 2
182 1 55 VAL HA 1 59 HIS HD2 3.005 . 4.210 3.707 2.579 4.706 0.496 6 0 "[ . 1 . 2]" 2
183 1 12 GLN HA 1 16 ILE MD 3.180 . 4.560 3.733 3.380 3.995 . 0 0 "[ . 1 . 2]" 2
184 1 12 GLN QB 1 16 ILE MD 3.165 . 4.530 2.733 2.189 3.668 . 0 0 "[ . 1 . 2]" 2
185 1 48 LEU QD 1 52 GLY H 3.650 . 4.540 4.271 3.781 4.529 . 0 0 "[ . 1 . 2]" 2
186 1 81 PHE HA 1 84 VAL HB 3.245 . 4.690 2.809 2.380 3.289 . 0 0 "[ . 1 . 2]" 2
187 1 84 VAL HA 1 88 VAL H 3.565 . 5.330 4.415 4.077 4.599 . 0 0 "[ . 1 . 2]" 2
188 1 102 LEU HA 1 105 PHE H 3.030 . 4.260 3.641 3.517 3.824 . 0 0 "[ . 1 . 2]" 2
189 1 105 PHE QD 1 108 PHE QB 3.650 . 5.500 3.354 2.681 4.047 . 0 0 "[ . 1 . 2]" 2
190 1 105 PHE QE 1 108 PHE QB 3.650 . 5.500 4.236 3.551 4.782 . 0 0 "[ . 1 . 2]" 2
191 1 128 THR HA 1 131 ASP H 3.375 . 4.950 3.612 3.482 3.772 . 0 0 "[ . 1 . 2]" 2
192 1 128 THR MG 1 131 ASP H 3.625 . 5.450 4.858 4.750 4.995 . 0 0 "[ . 1 . 2]" 2
193 1 131 ASP HA 1 134 VAL HB 2.960 . 4.120 3.341 2.937 3.853 . 0 0 "[ . 1 . 2]" 2
194 1 133 LEU HA 1 137 LYS H 3.545 . 5.290 5.080 4.688 5.398 0.108 5 0 "[ . 1 . 2]" 2
195 1 138 ARG HA 1 141 LEU H 3.410 . 5.020 3.603 3.063 4.016 . 0 0 "[ . 1 . 2]" 2
196 1 141 LEU HA 1 146 GLY QA 3.650 . 4.760 3.322 2.714 3.982 . 0 0 "[ . 1 . 2]" 2
197 1 150 PHE HA 1 154 PHE QD 3.610 . 5.420 4.135 3.348 4.854 . 0 0 "[ . 1 . 2]" 2
198 1 150 PHE HA 1 153 PHE QB 3.555 . 5.310 3.211 2.700 3.730 . 0 0 "[ . 1 . 2]" 2
199 1 9 LEU HA 1 13 SER HG 3.650 . 5.500 4.181 4.006 5.134 . 0 0 "[ . 1 . 2]" 2
200 1 21 LEU MD1 1 24 GLN QB 3.215 . 4.630 4.418 3.692 5.128 0.498 9 0 "[ . 1 . 2]" 2
201 1 21 LEU MD2 1 24 GLN QB 3.215 . 4.630 3.923 3.365 5.136 0.506 13 1 "[ . 1 + . 2]" 2
202 1 59 HIS QB 1 62 ALA MB 2.860 . 3.920 2.069 1.788 2.554 0.012 9 0 "[ . 1 . 2]" 2
203 1 100 VAL H 1 103 ILE MD 3.650 . 5.500 4.392 4.114 4.793 . 0 0 "[ . 1 . 2]" 2
204 1 105 PHE QD 1 109 VAL MG2 3.650 . 5.500 3.359 3.198 3.533 . 0 0 "[ . 1 . 2]" 2
205 1 9 LEU QD 1 13 SER H 3.110 . 4.420 3.079 2.736 3.365 . 0 0 "[ . 1 . 2]" 2
206 1 9 LEU QD 1 13 SER QB 2.470 . 3.140 2.431 2.171 2.785 . 0 0 "[ . 1 . 2]" 2
207 1 9 LEU QD 1 13 SER HG 2.735 . 3.670 2.470 2.156 3.518 . 0 0 "[ . 1 . 2]" 2
208 1 10 TYR HA 1 13 SER QB 2.725 . 3.650 3.794 3.507 4.018 0.368 5 0 "[ . 1 . 2]" 2
209 1 10 TYR QB 1 14 LEU QD 3.275 . 4.750 3.792 3.354 4.175 . 0 0 "[ . 1 . 2]" 2
210 1 12 GLN QE 1 16 ILE MG 3.460 . 5.120 5.453 4.524 5.778 0.658 16 13 "[** *. **** -*.+ ***]" 2
211 1 13 SER QB 1 17 ILE MD 3.070 . 4.340 2.784 2.447 3.131 . 0 0 "[ . 1 . 2]" 2
212 1 21 LEU HA 1 24 GLN QG 3.570 . 5.340 3.785 3.084 4.401 . 0 0 "[ . 1 . 2]" 2
213 1 21 LEU QD 1 24 GLN QB 2.570 . 3.340 3.525 3.273 3.772 0.432 13 0 "[ . 1 . 2]" 2
214 1 34 LEU QD 1 37 ALA MB 2.555 . 3.310 2.254 1.923 2.868 . 0 0 "[ . 1 . 2]" 2
215 1 45 LEU HA 1 48 LEU QB 3.070 . 4.340 2.714 2.176 2.969 . 0 0 "[ . 1 . 2]" 2
216 1 45 LEU QD 1 48 LEU QB 2.720 . 3.640 3.345 2.910 3.982 0.342 19 0 "[ . 1 . 2]" 2
217 1 45 LEU QD 1 48 LEU QD 2.450 . 3.100 3.126 2.517 3.440 0.340 19 0 "[ . 1 . 2]" 2
218 1 45 LEU QD 1 49 ARG HE 3.140 . 4.480 3.537 1.834 4.920 0.440 12 0 "[ . 1 . 2]" 2
219 1 47 THR MG 1 51 VAL QG 2.665 . 3.530 2.550 2.162 3.027 . 0 0 "[ . 1 . 2]" 2
220 1 51 VAL HA 1 55 VAL QG 3.165 . 4.530 3.543 3.216 3.928 . 0 0 "[ . 1 . 2]" 2
221 1 51 VAL HB 1 55 VAL QG 3.620 . 5.440 4.167 2.922 4.682 . 0 0 "[ . 1 . 2]" 2
222 1 51 VAL QG 1 54 GLY H 3.270 . 4.740 4.383 4.190 4.539 . 0 0 "[ . 1 . 2]" 2
223 1 51 VAL QG 1 55 VAL HA 3.620 . 5.440 5.070 4.722 6.026 0.586 8 1 "[ . + 1 . 2]" 2
224 1 51 VAL QG 1 55 VAL QG 2.375 . 2.950 2.420 2.033 3.320 0.370 8 0 "[ . 1 . 2]" 2
225 1 52 GLY H 1 55 VAL QG 3.440 . 5.080 4.335 3.905 4.718 . 0 0 "[ . 1 . 2]" 2
226 1 52 GLY QA 1 55 VAL QG 3.050 . 4.300 3.023 2.144 3.705 . 0 0 "[ . 1 . 2]" 2
227 1 55 VAL QG 1 58 ASN QD 2.605 . 3.410 3.588 2.473 3.906 0.496 10 0 "[ . 1 . 2]" 2
228 1 55 VAL QG 1 59 HIS HD2 2.710 . 3.620 3.004 1.987 3.620 0.000 14 0 "[ . 1 . 2]" 2
229 1 56 GLN HA 1 59 HIS QB 3.380 . 4.960 4.356 3.674 5.479 0.519 20 1 "[ . 1 . +]" 2
230 1 64 GLN QG 1 67 LEU QD 3.490 . 5.180 3.858 3.145 5.111 . 0 0 "[ . 1 . 2]" 2
231 1 66 MET HA 1 70 LEU QD 2.920 . 4.040 3.863 3.158 4.441 0.401 18 0 "[ . 1 . 2]" 2
232 1 66 MET QG 1 70 LEU QD 3.285 . 4.770 4.097 2.573 4.639 . 0 0 "[ . 1 . 2]" 2
233 1 67 LEU H 1 70 LEU QD 3.135 . 4.470 4.880 4.214 4.999 0.529 18 2 "[ - . 1 . + 2]" 2
234 1 67 LEU HA 1 70 LEU QD 2.825 . 3.850 3.892 2.376 4.308 0.458 16 0 "[ . 1 . 2]" 2
235 1 72 ILE QG 1 77 ASP QB 2.970 . 4.140 3.854 3.716 4.111 . 0 0 "[ . 1 . 2]" 2
236 1 74 ASN H 1 77 ASP QB 2.995 . 4.190 3.298 3.104 3.444 . 0 0 "[ . 1 . 2]" 2
237 1 75 GLU HA 1 78 VAL QG 3.080 . 4.360 2.571 2.085 3.436 . 0 0 "[ . 1 . 2]" 2
238 1 75 GLU QB 1 78 VAL QG 2.770 . 3.740 3.894 3.076 4.174 0.434 20 0 "[ . 1 . 2]" 2
239 1 78 VAL QG 1 81 PHE QB 2.480 . 3.160 3.301 2.895 3.578 0.418 14 0 "[ . 1 . 2]" 2
240 1 84 VAL QG 1 87 HIS H 3.000 . 4.200 4.262 4.101 4.385 0.185 2 0 "[ . 1 . 2]" 2
241 1 84 VAL QG 1 87 HIS QB 3.225 . 4.650 3.288 3.115 3.432 . 0 0 "[ . 1 . 2]" 2
242 1 85 MET HA 1 88 VAL QG 3.620 . 5.440 2.945 2.601 3.389 . 0 0 "[ . 1 . 2]" 2
243 1 86 VAL QG 1 90 LYS HA 3.265 . 4.730 4.226 3.440 5.223 0.493 20 0 "[ . 1 . 2]" 2
244 1 93 VAL QG 1 98 ARG QD 3.165 . 4.530 3.489 2.713 4.574 0.044 19 0 "[ . 1 . 2]" 2
245 1 96 TRP QB 1 99 ILE MG 3.525 . 5.250 5.085 4.776 5.466 0.216 20 0 "[ . 1 . 2]" 2
246 1 96 TRP QB 1 100 VAL QG 2.505 . 3.210 3.239 2.785 3.588 0.378 20 0 "[ . 1 . 2]" 2
247 1 96 TRP HE3 1 99 ILE QG 3.275 . 4.750 3.821 2.480 4.182 . 0 0 "[ . 1 . 2]" 2
248 1 97 GLY QA 1 100 VAL HB 3.200 . 4.600 3.974 2.395 4.929 0.329 11 0 "[ . 1 . 2]" 2
249 1 97 GLY QA 1 100 VAL QG 2.315 . 2.830 2.226 1.786 3.119 0.289 6 0 "[ . 1 . 2]" 2
250 1 99 ILE HA 1 102 LEU QD 3.015 . 4.230 3.069 2.571 3.531 . 0 0 "[ . 1 . 2]" 2
251 1 99 ILE MG 1 103 ILE QG 3.160 . 4.520 2.956 2.665 3.175 . 0 0 "[ . 1 . 2]" 2
252 1 100 VAL QG 1 104 SER H 3.515 . 5.230 4.057 3.554 4.608 . 0 0 "[ . 1 . 2]" 2
253 1 102 LEU QD 1 105 PHE QB 3.300 . 4.800 3.792 3.362 4.110 . 0 0 "[ . 1 . 2]" 2
254 1 105 PHE QD 1 109 VAL QG 3.095 . 4.390 3.328 3.172 3.501 . 0 0 "[ . 1 . 2]" 2
255 1 106 GLY H 1 109 VAL QG 3.120 . 4.440 4.244 4.096 4.348 . 0 0 "[ . 1 . 2]" 2
256 1 106 GLY QA 1 109 VAL QG 3.445 . 5.090 2.707 2.477 2.871 . 0 0 "[ . 1 . 2]" 2
257 1 109 VAL HA 1 112 HIS QB 3.120 . 4.440 2.583 2.104 2.941 . 0 0 "[ . 1 . 2]" 2
258 1 109 VAL QG 1 112 HIS QB 3.030 . 4.260 3.348 3.050 3.758 . 0 0 "[ . 1 . 2]" 2
259 1 110 ALA HA 1 113 LEU QD 2.745 . 3.690 2.680 1.864 3.322 . 0 0 "[ . 1 . 2]" 2
260 1 112 HIS HA 1 116 VAL QG 3.455 . 5.110 4.191 3.806 4.889 . 0 0 "[ . 1 . 2]" 2
261 1 113 LEU H 1 116 VAL QG 3.580 . 5.360 4.542 4.000 4.903 . 0 0 "[ . 1 . 2]" 2
262 1 113 LEU HA 1 116 VAL QG 2.645 . 3.490 2.855 2.090 3.409 . 0 0 "[ . 1 . 2]" 2
263 1 125 LEU QB 1 129 ILE MD 3.190 . 4.580 3.091 2.812 3.767 . 0 0 "[ . 1 . 2]" 2
264 1 125 LEU QD 1 128 THR HB 3.195 . 4.590 3.144 2.837 3.548 . 0 0 "[ . 1 . 2]" 2
265 1 125 LEU QD 1 128 THR MG 2.950 . 4.100 3.636 3.287 3.925 . 0 0 "[ . 1 . 2]" 2
266 1 125 LEU QD 1 129 ILE H 3.005 . 4.210 3.835 3.518 4.115 . 0 0 "[ . 1 . 2]" 2
267 1 132 VAL HA 1 135 ARG QB 2.855 . 3.910 2.883 2.137 3.740 . 0 0 "[ . 1 . 2]" 2
268 1 132 VAL QG 1 136 THR H 2.785 . 3.770 3.877 3.526 4.113 0.343 19 0 "[ . 1 . 2]" 2
269 1 138 ARG HA 1 141 LEU QD 2.550 . 3.300 2.854 1.784 3.648 0.348 13 0 "[ . 1 . 2]" 2
270 1 139 ASP HA 1 142 VAL QG 2.705 . 3.610 2.914 1.730 3.550 0.070 17 0 "[ . 1 . 2]" 2
271 1 139 ASP QB 1 142 VAL QG 3.170 . 4.540 4.186 3.281 4.634 0.094 2 0 "[ . 1 . 2]" 2
272 1 141 LEU QB 1 146 GLY QA 3.465 . 5.130 2.784 2.097 3.495 . 0 0 "[ . 1 . 2]" 2
273 1 141 LEU QD 1 146 GLY H 3.045 . 4.290 4.434 3.655 4.790 0.500 19 1 "[ . 1 . +2]" 2
274 1 141 LEU QD 1 146 GLY QA 2.710 . 3.620 2.930 2.028 3.722 0.102 10 0 "[ . 1 . 2]" 2
275 1 148 ASP H 1 151 VAL QG 3.380 . 4.960 4.282 3.926 4.661 . 0 0 "[ . 1 . 2]" 2
276 1 149 GLY QA 1 152 GLU QB 3.415 . 5.030 2.446 1.923 2.792 . 0 0 "[ . 1 . 2]" 2
277 1 151 VAL HA 1 154 PHE QB 3.315 . 4.830 3.125 2.536 3.721 . 0 0 "[ . 1 . 2]" 2
278 1 47 THR HA 1 50 ARG H 3.185 . 4.570 3.595 3.361 3.821 . 0 0 "[ . 1 . 2]" 2
279 1 86 VAL HA 1 89 PHE H 2.990 . 4.180 3.378 3.125 3.670 . 0 0 "[ . 1 . 2]" 2
280 1 147 TRP HA 1 151 VAL H 3.260 . 4.720 3.887 3.619 4.215 . 0 0 "[ . 1 . 2]" 2
281 1 148 ASP HA 1 151 VAL H 3.430 . 5.060 3.717 3.448 4.104 . 0 0 "[ . 1 . 2]" 2
282 1 53 ASP HA 1 56 GLN H 2.975 . 4.150 3.447 3.254 3.700 . 0 0 "[ . 1 . 2]" 2
283 1 18 SER HA 1 21 LEU H 3.030 . 4.260 3.611 3.392 3.838 . 0 0 "[ . 1 . 2]" 2
284 1 43 ARG HA 1 46 GLU H 2.580 . 3.360 3.593 3.318 3.802 0.442 15 0 "[ . 1 . 2]" 2
285 1 139 ASP QB 1 142 VAL H 3.450 . 5.100 5.080 4.829 5.345 0.245 10 0 "[ . 1 . 2]" 2
286 1 9 LEU HA 1 12 GLN H 3.040 . 4.280 3.574 3.268 3.904 . 0 0 "[ . 1 . 2]" 2
287 1 9 LEU MD1 1 12 GLN H 3.270 . 4.740 4.822 4.420 5.076 0.336 18 0 "[ . 1 . 2]" 2
288 1 59 HIS HA 1 62 ALA H 3.305 . 4.810 3.638 3.454 3.812 . 0 0 "[ . 1 . 2]" 2
289 1 44 ALA H 1 47 THR HB 3.650 . 5.500 5.354 4.967 5.783 0.283 16 0 "[ . 1 . 2]" 2
290 1 41 GLY QA 1 44 ALA H 3.335 . 4.220 3.402 3.209 3.619 . 0 0 "[ . 1 . 2]" 2
291 1 104 SER HA 1 107 ALA H 3.015 . 4.230 3.410 3.247 3.629 . 0 0 "[ . 1 . 2]" 2
292 1 103 ILE MG 1 107 ALA H 2.885 . 3.970 3.805 3.728 3.908 . 0 0 "[ . 1 . 2]" 2
293 1 147 TRP HA 1 150 PHE H 2.905 . 4.010 3.288 2.949 3.543 . 0 0 "[ . 1 . 2]" 2
294 1 44 ALA HA 1 48 LEU H 3.150 . 4.500 3.792 3.603 4.040 . 0 0 "[ . 1 . 2]" 2
295 1 45 LEU HA 1 48 LEU H 3.135 . 4.470 3.665 3.350 3.926 . 0 0 "[ . 1 . 2]" 2
296 1 130 THR HA 1 133 LEU H 3.295 . 4.790 3.642 3.348 3.869 . 0 0 "[ . 1 . 2]" 2
297 1 122 ILE HA 1 125 LEU H 3.035 . 4.270 3.619 3.438 3.904 . 0 0 "[ . 1 . 2]" 2
298 1 10 TYR QD 1 14 LEU H 3.525 . 5.250 4.696 4.134 5.056 . 0 0 "[ . 1 . 2]" 2
299 1 122 ILE HA 1 126 ALA H 3.650 . 5.500 3.738 3.453 3.971 . 0 0 "[ . 1 . 2]" 2
300 1 61 THR HA 1 64 GLN H 2.900 . 4.000 3.918 3.669 4.232 0.232 17 0 "[ . 1 . 2]" 2
301 1 20 TYR QD 1 23 GLU H 3.595 . 5.390 5.404 4.983 5.809 0.419 8 0 "[ . 1 . 2]" 2
302 1 20 TYR QD 1 24 GLN H 3.635 . 5.470 4.718 4.124 5.157 . 0 0 "[ . 1 . 2]" 2
303 1 21 LEU HA 1 24 GLN H 3.305 . 4.810 3.650 3.379 4.002 . 0 0 "[ . 1 . 2]" 2
304 1 41 GLY QA 1 45 LEU H 3.565 . 5.330 3.684 3.362 4.032 . 0 0 "[ . 1 . 2]" 2
305 1 97 GLY QA 1 100 VAL H 3.055 . 3.700 3.457 3.183 3.718 0.018 12 0 "[ . 1 . 2]" 2
306 1 16 ILE MG 1 20 TYR H 3.395 . 4.990 4.080 3.930 4.304 . 0 0 "[ . 1 . 2]" 2
307 1 17 ILE HA 1 20 TYR H 3.145 . 4.490 3.483 3.331 3.698 . 0 0 "[ . 1 . 2]" 2
308 1 60 GLU HA 1 63 PHE H 3.160 . 4.520 3.602 3.405 3.892 . 0 0 "[ . 1 . 2]" 2
309 1 134 VAL HA 1 137 LYS H 3.455 . 5.110 3.900 3.536 4.051 . 0 0 "[ . 1 . 2]" 2
310 1 137 LYS HA 1 140 TRP H 3.280 . 4.760 3.763 3.314 4.092 . 0 0 "[ . 1 . 2]" 2
311 1 80 SER HA 1 83 ARG H 3.200 . 4.600 3.288 3.089 3.526 . 0 0 "[ . 1 . 2]" 2
312 1 87 HIS HA 1 90 LYS H 2.845 . 3.890 3.504 3.232 3.818 . 0 0 "[ . 1 . 2]" 2
313 1 57 ARG HA 1 60 GLU H 3.015 . 4.230 4.046 3.761 4.457 0.227 3 0 "[ . 1 . 2]" 2
314 1 108 PHE HA 1 112 HIS H 3.420 . 5.040 4.119 3.844 4.411 . 0 0 "[ . 1 . 2]" 2
315 1 104 SER HA 1 108 PHE H 3.145 . 4.490 4.206 4.013 4.398 . 0 0 "[ . 1 . 2]" 2
316 1 139 ASP HA 1 143 LYS H 3.180 . 4.560 4.044 3.659 4.557 . 0 0 "[ . 1 . 2]" 2
317 1 7 ASP H 1 10 TYR QD 3.385 . 4.970 4.741 3.168 5.516 0.546 1 2 "[+ - . 1 . 2]" 2
318 1 127 GLU HA 1 131 ASP H 3.180 . 4.560 3.947 3.723 4.403 . 0 0 "[ . 1 . 2]" 2
319 1 61 THR MG 1 65 GLY H 3.485 . 5.170 5.391 4.552 5.658 0.488 14 0 "[ . 1 . 2]" 2
320 1 103 ILE HA 1 106 GLY H 3.145 . 4.490 3.321 3.180 3.536 . 0 0 "[ . 1 . 2]" 2
321 1 133 LEU HA 1 136 THR H 3.345 . 4.890 4.065 3.906 4.261 . 0 0 "[ . 1 . 2]" 2
322 1 142 VAL HA 1 146 GLY H 3.240 . 4.680 3.841 3.039 5.022 0.342 14 0 "[ . 1 . 2]" 2
323 1 141 LEU MD1 1 146 GLY H 3.580 . 5.360 5.103 3.699 5.937 0.577 14 5 "[ *. ** 1 +.- 2]" 2
324 1 53 ASP HA 1 57 ARG H 3.385 . 4.970 4.102 3.710 4.418 . 0 0 "[ . 1 . 2]" 2
325 1 14 LEU HA 1 18 SER H 3.405 . 5.010 3.910 3.531 4.197 . 0 0 "[ . 1 . 2]" 2
326 1 131 ASP HA 1 135 ARG H 3.260 . 4.720 3.786 3.304 4.046 . 0 0 "[ . 1 . 2]" 2
327 1 131 ASP HA 1 134 VAL H 3.150 . 4.500 3.799 3.567 4.085 . 0 0 "[ . 1 . 2]" 2
328 1 142 VAL HA 1 145 ARG H 3.335 . 4.870 3.803 2.893 4.411 . 0 0 "[ . 1 . 2]" 2
329 1 151 VAL HA 1 154 PHE H 3.170 . 4.540 3.606 3.260 3.878 . 0 0 "[ . 1 . 2]" 2
330 1 61 THR H 1 64 GLN QG 3.205 . 4.610 4.852 4.029 5.101 0.491 10 0 "[ . 1 . 2]" 2
331 1 13 SER H 1 16 ILE MD 3.375 . 4.950 4.237 3.821 4.497 . 0 0 "[ . 1 . 2]" 2
332 1 55 VAL HA 1 59 HIS H 3.015 . 4.230 3.647 3.129 4.166 . 0 0 "[ . 1 . 2]" 2
333 1 84 VAL H 1 87 HIS HD2 3.650 . 5.500 4.953 3.869 6.062 0.562 4 2 "[ +. 1 -. 2]" 2
334 1 104 SER H 1 107 ALA MB 3.400 . 5.000 4.623 4.491 4.803 . 0 0 "[ . 1 . 2]" 2
335 1 108 PHE HA 1 111 LYS H 2.995 . 4.190 3.361 3.171 3.710 . 0 0 "[ . 1 . 2]" 2
336 1 128 THR HA 1 132 VAL H 3.295 . 4.790 3.773 3.564 4.004 . 0 0 "[ . 1 . 2]" 2
337 1 129 ILE HA 1 132 VAL H 2.685 . 3.570 3.854 3.738 3.966 0.396 20 0 "[ . 1 . 2]" 2
338 1 55 VAL HA 1 58 ASN H 2.985 . 4.170 3.301 3.066 3.619 . 0 0 "[ . 1 . 2]" 2
339 1 13 SER HA 1 16 ILE H 3.265 . 4.730 3.724 3.506 4.086 . 0 0 "[ . 1 . 2]" 2
340 1 7 ASP HA 1 10 TYR H 2.765 . 3.730 4.177 3.955 4.298 0.568 17 5 "[ * . *1 - .*+ 2]" 2
341 1 113 LEU HA 1 116 VAL H 3.380 . 4.960 3.656 3.444 3.826 . 0 0 "[ . 1 . 2]" 2
342 1 95 ASN H 1 99 ILE MD 3.400 . 5.000 4.501 3.692 5.381 0.381 17 0 "[ . 1 . 2]" 2
343 1 63 PHE HA 1 66 MET H 2.950 . 4.100 3.618 3.310 3.793 . 0 0 "[ . 1 . 2]" 2
344 1 12 GLN HE22 1 16 ILE MD 3.610 . 5.420 3.649 2.181 4.296 . 0 0 "[ . 1 . 2]" 2
345 1 20 TYR QE 1 24 GLN QE 3.450 . 4.240 3.170 2.331 4.395 0.155 7 0 "[ . 1 . 2]" 2
346 1 53 ASP HA 1 56 GLN QE 3.250 . 4.700 3.564 2.670 4.372 . 0 0 "[ . 1 . 2]" 2
347 1 140 TRP HE1 1 144 GLN QE 3.225 . 4.650 3.405 2.304 4.335 . 0 0 "[ . 1 . 2]" 2
348 1 55 VAL HA 1 58 ASN QD 3.425 . 5.050 2.861 1.809 3.683 . 0 0 "[ . 1 . 2]" 2
349 1 8 ASP HA 1 11 ARG HE 3.650 . 5.500 4.259 1.760 6.128 0.628 8 4 "[ . + 1* * - 2]" 2
350 1 44 ALA HA 1 47 THR H 2.820 . 3.840 3.684 3.310 3.944 0.104 16 0 "[ . 1 . 2]" 2
351 1 12 GLN HE21 1 16 ILE MD 3.610 . 5.420 2.824 2.083 3.340 . 0 0 "[ . 1 . 2]" 2
352 1 95 ASN HD22 1 98 ARG HE 3.270 . 4.740 4.398 3.333 5.300 0.560 10 1 "[ . + . 2]" 2
353 1 46 GLU HA 1 49 ARG HE 3.625 . 5.450 4.982 2.998 6.046 0.596 6 1 "[ .+ 1 . 2]" 2
354 1 85 MET HA 1 88 VAL H 3.225 . 4.650 3.510 3.256 3.949 . 0 0 "[ . 1 . 2]" 2
355 1 21 LEU HA 1 25 ALA H 3.230 . 4.660 3.924 3.562 4.447 . 0 0 "[ . 1 . 2]" 2
356 1 147 TRP HE3 1 151 VAL H 3.215 . 4.630 4.874 4.153 5.169 0.539 6 1 "[ .+ 1 . 2]" 2
357 1 23 GLU QB 1 28 SER H 3.605 . 5.410 3.978 3.423 5.119 . 0 0 "[ . 1 . 2]" 2
358 1 96 TRP H 1 99 ILE MD 3.650 . 5.500 4.411 4.056 5.538 0.038 7 0 "[ . 1 . 2]" 2
359 1 95 ASN HD21 1 98 ARG HE 3.270 . 4.740 3.984 2.164 5.272 0.532 2 2 "[ + -. 1 . 2]" 2
360 1 79 LYS HA 1 82 SER H 3.135 . 4.470 3.493 3.262 3.788 . 0 0 "[ . 1 . 2]" 2
361 1 51 VAL HA 1 54 GLY H 3.160 . 4.520 3.513 3.358 3.729 . 0 0 "[ . 1 . 2]" 2
362 1 114 LYS HA 1 119 GLU H 2.890 . 3.980 4.168 3.717 4.393 0.413 16 0 "[ . 1 . 2]" 2
363 1 114 LYS QD 1 119 GLU H 3.225 . 4.650 4.588 3.469 5.199 0.549 18 2 "[ . 1 -. + 2]" 2
364 1 127 GLU HA 1 130 THR H 3.065 . 4.330 3.720 3.516 3.919 . 0 0 "[ . 1 . 2]" 2
365 1 78 VAL HA 1 81 PHE H 3.285 . 4.770 3.310 2.992 3.580 . 0 0 "[ . 1 . 2]" 2
366 1 78 VAL HA 1 82 SER H 3.650 . 5.500 4.233 3.871 4.525 . 0 0 "[ . 1 . 2]" 2
367 1 140 TRP HE1 1 144 GLN QG 3.535 . 5.270 4.867 3.155 5.839 0.569 5 4 "[ - + *1 * . 2]" 2
368 1 8 ASP HA 1 11 ARG H 3.000 . 4.200 3.482 3.086 3.906 . 0 0 "[ . 1 . 2]" 2
369 1 9 LEU MD2 1 12 GLN H 3.270 . 4.740 4.507 4.024 4.894 0.154 18 0 "[ . 1 . 2]" 2
370 1 14 LEU HA 1 17 ILE H 3.200 . 4.600 4.042 3.850 4.208 . 0 0 "[ . 1 . 2]" 2
371 1 20 TYR HA 1 23 GLU H 3.340 . 4.880 3.671 3.385 3.945 . 0 0 "[ . 1 . 2]" 2
372 1 19 ARG HA 1 23 GLU H 3.480 . 5.160 4.098 3.805 4.348 . 0 0 "[ . 1 . 2]" 2
373 1 20 TYR HH 1 24 GLN QE 3.450 . 4.290 2.723 1.932 3.768 . 0 0 "[ . 1 . 2]" 2
374 1 47 THR HA 1 51 VAL H 3.650 . 5.500 4.011 3.720 4.259 . 0 0 "[ . 1 . 2]" 2
375 1 64 GLN HA 1 67 LEU H 2.985 . 4.170 3.366 3.166 3.555 . 0 0 "[ . 1 . 2]" 2
376 1 80 SER HA 1 84 VAL H 3.650 . 5.500 4.267 4.014 4.543 . 0 0 "[ . 1 . 2]" 2
377 1 81 PHE HA 1 85 MET H 3.600 . 5.400 4.220 3.805 4.522 . 0 0 "[ . 1 . 2]" 2
378 1 94 THR MG 1 99 ILE H 3.650 . 5.500 5.047 4.242 5.594 0.094 6 0 "[ . 1 . 2]" 2
379 1 98 ARG HA 1 101 THR H 3.250 . 4.700 3.588 3.306 3.944 . 0 0 "[ . 1 . 2]" 2
380 1 103 ILE HA 1 107 ALA H 3.405 . 5.010 3.944 3.742 4.043 . 0 0 "[ . 1 . 2]" 2
381 1 9 LEU QD 1 12 GLN H 2.945 . 4.090 4.133 3.833 4.436 0.346 18 0 "[ . 1 . 2]" 2
382 1 12 GLN QE 1 16 ILE MD 3.205 . 4.610 2.721 1.925 3.161 . 0 0 "[ . 1 . 2]" 2
383 1 20 TYR QD 1 24 GLN QE 3.570 . 5.340 4.623 3.804 5.622 0.282 7 0 "[ . 1 . 2]" 2
384 1 51 VAL QG 1 55 VAL H 3.365 . 4.930 3.768 3.453 4.434 . 0 0 "[ . 1 . 2]" 2
385 1 64 GLN QE 1 67 LEU QD 3.535 . 5.270 4.990 3.199 5.952 0.682 5 3 "[ + 1 .- * 2]" 2
386 1 65 GLY QA 1 68 ARG H 2.970 . 4.140 3.571 3.223 3.738 . 0 0 "[ . 1 . 2]" 2
387 1 93 VAL QG 1 98 ARG HE 3.620 . 5.440 3.766 2.410 4.656 . 0 0 "[ . 1 . 2]" 2
388 1 95 ASN H 1 98 ARG QG 3.115 . 4.430 3.528 2.055 4.816 0.386 6 0 "[ . 1 . 2]" 2
389 1 95 ASN QD 1 98 ARG HE 2.990 . 4.180 3.581 2.142 4.628 0.448 2 0 "[ . 1 . 2]" 2
390 1 97 GLY H 1 100 VAL QG 2.910 . 4.020 3.993 3.754 4.352 0.332 6 0 "[ . 1 . 2]" 2
391 1 109 VAL QG 1 112 HIS H 3.620 . 5.440 4.286 4.126 4.461 . 0 0 "[ . 1 . 2]" 2
392 1 141 LEU QB 1 146 GLY H 2.865 . 3.930 3.945 3.201 4.382 0.452 15 0 "[ . 1 . 2]" 2
393 1 149 GLY QA 1 152 GLU H 3.110 . 4.420 3.327 3.022 3.492 . 0 0 "[ . 1 . 2]" 2
394 1 147 TRP HZ3 1 150 PHE QE 3.185 . 4.570 3.536 2.845 4.470 . 0 0 "[ . 1 . 2]" 2
395 1 150 PHE QE 1 154 PHE QD 3.095 . 4.390 3.421 2.582 4.063 . 0 0 "[ . 1 . 2]" 2
396 1 150 PHE QD 1 154 PHE QD 3.090 . 4.380 3.716 3.131 4.549 0.169 5 0 "[ . 1 . 2]" 2
397 1 147 TRP HZ3 1 150 PHE QD 3.100 . 4.400 3.748 3.103 4.243 . 0 0 "[ . 1 . 2]" 2
398 1 147 TRP HZ3 1 150 PHE HZ 3.535 . 5.270 4.399 3.770 5.596 0.326 15 0 "[ . 1 . 2]" 2
399 1 89 PHE QD 1 94 THR MG 3.285 . 4.770 3.316 2.571 4.302 . 0 0 "[ . 1 . 2]" 2
400 1 89 PHE HZ 1 94 THR MG 3.380 . 4.960 3.834 3.257 5.042 0.082 6 0 "[ . 1 . 2]" 2
401 1 105 PHE QD 1 108 PHE QD 3.015 . 4.230 3.653 3.247 4.251 0.021 5 0 "[ . 1 . 2]" 2
402 1 85 MET ME 1 89 PHE HZ 3.280 . 4.760 5.059 4.237 5.269 0.509 1 1 "[+ . 1 . 2]" 2
403 1 84 VAL HA 1 87 HIS HD2 3.090 . 4.380 3.158 1.829 4.145 . 0 0 "[ . 1 . 2]" 2
404 1 112 HIS HE1 1 116 VAL QG 2.955 . 4.110 3.837 3.187 4.548 0.438 17 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 190
_Distance_constraint_stats_list.Viol_count 275
_Distance_constraint_stats_list.Viol_total 1947.775
_Distance_constraint_stats_list.Viol_max 1.057
_Distance_constraint_stats_list.Viol_rms 0.1194
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0256
_Distance_constraint_stats_list.Viol_average_violations_only 0.3541
_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
2 2 GLU 12.694 0.954 14 12 "[***-** ** * +. ** 2]"
2 3 GLU 1.931 0.399 17 0 "[ . 1 . 2]"
2 4 TRP 15.033 0.954 14 12 "[***-** ** * +. ** 2]"
2 5 ALA 0.836 0.352 16 0 "[ . 1 . 2]"
2 6 ARG 8.858 0.651 14 11 "[ *** * *1 -*+* **]"
2 7 GLU 2.813 0.534 11 2 "[ . 1+ - 2]"
2 8 ILE 5.915 0.522 7 1 "[ . + 1 . 2]"
2 9 GLY 0.181 0.079 10 0 "[ . 1 . 2]"
2 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 GLN 8.373 0.534 11 4 "[ * . * 1+ - 2]"
2 12 LEU 4.351 0.584 13 7 "[ -** * 1* + . * 2]"
2 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 ARG 4.681 0.519 6 1 "[ .+ 1 . 2]"
2 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 ALA 9.883 0.573 12 9 "[ -** 1*+* . ** *]"
2 17 ASP 1.542 0.372 19 0 "[ . 1 . 2]"
2 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 LEU 10.590 0.573 12 9 "[ -** 1*+* . ** *]"
2 20 ASN 1.726 0.372 19 0 "[ . 1 . 2]"
2 21 ALA 0.224 0.169 6 0 "[ . 1 . 2]"
2 22 GLN 7.109 0.708 7 3 "[ . + 1 - * 2]"
2 23 TYR 19.578 1.057 9 14 "[*** ****+1** .** *-]"
2 24 GLU 19.802 1.057 9 14 "[*** ****+1** .** *-]"
2 25 ARG 14.842 1.002 10 15 "[***** * *+ ***.* -**]"
2 26 ARG 14.842 1.002 10 15 "[***** * *+ ***.* -**]"
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 2 3 GLU HA 2 6 ARG QB 3.120 . 3.820 2.659 2.050 4.219 0.399 17 0 "[ . 1 . 2]" 3
2 2 5 ALA HA 2 8 ILE HB 3.225 . 4.650 3.003 2.374 4.755 0.105 7 0 "[ . 1 . 2]" 3
3 2 3 GLU HA 2 6 ARG QD 3.125 . 4.450 3.621 1.749 4.553 0.103 18 0 "[ . 1 . 2]" 3
4 2 8 ILE MG 2 11 GLN H 3.220 . 4.640 4.796 4.504 5.162 0.522 7 1 "[ . + 1 . 2]" 3
5 2 8 ILE HA 2 11 GLN QB 3.165 . 3.900 2.755 2.325 3.104 . 0 0 "[ . 1 . 2]" 3
6 2 15 ILE HA 2 18 ASP QB 3.335 . 4.220 3.164 2.594 3.570 . 0 0 "[ . 1 . 2]" 3
7 2 16 ALA HA 2 19 LEU MD1 3.065 . 4.330 4.824 4.766 4.903 0.573 12 9 "[ -** 1*+* . ** *]" 3
8 2 16 ALA HA 2 19 LEU MD2 3.065 . 4.330 3.070 2.699 3.403 . 0 0 "[ . 1 . 2]" 3
9 2 20 ASN HA 2 23 TYR H 3.040 . 4.280 3.699 3.184 4.065 . 0 0 "[ . 1 . 2]" 3
10 2 7 GLU HA 2 10 ALA MB 2.960 . 4.120 2.867 2.235 3.226 . 0 0 "[ . 1 . 2]" 3
11 2 4 TRP HA 2 7 GLU QB 3.115 . 3.850 2.962 2.430 4.057 0.207 15 0 "[ . 1 . 2]" 3
12 2 2 GLU HA 2 5 ALA MB 3.250 . 4.700 3.566 2.950 4.071 . 0 0 "[ . 1 . 2]" 3
13 2 12 LEU HA 2 15 ILE HB 2.955 . 4.110 2.999 2.457 3.338 . 0 0 "[ . 1 . 2]" 3
14 2 13 ARG HA 2 16 ALA MB 2.955 . 4.110 2.574 2.335 2.936 . 0 0 "[ . 1 . 2]" 3
15 2 14 ARG HA 2 17 ASP QB 3.105 . 4.410 2.794 2.214 3.284 . 0 0 "[ . 1 . 2]" 3
16 2 16 ALA HA 2 19 LEU QB 3.170 . 4.540 2.512 2.328 2.748 . 0 0 "[ . 1 . 2]" 3
17 2 21 ALA HA 2 24 GLU QB 3.140 . 3.720 2.602 1.780 3.582 0.020 9 0 "[ . 1 . 2]" 3
18 2 16 ALA HA 2 20 ASN H 3.400 . 5.000 3.861 3.667 4.242 . 0 0 "[ . 1 . 2]" 3
19 2 19 LEU HA 2 22 GLN QB 3.450 . 4.420 3.473 2.860 4.341 . 0 0 "[ . 1 . 2]" 3
20 2 3 GLU HA 2 7 GLU H 3.370 . 4.940 3.994 3.634 4.471 . 0 0 "[ . 1 . 2]" 3
21 2 14 ARG HA 2 18 ASP H 3.295 . 4.790 3.934 3.250 4.250 . 0 0 "[ . 1 . 2]" 3
22 2 7 GLU QG 2 11 GLN H 3.280 . 4.760 4.424 4.102 5.294 0.534 11 2 "[ . 1+ - 2]" 3
23 2 10 ALA HA 2 13 ARG QB 2.655 . 3.510 2.484 2.040 3.367 . 0 0 "[ . 1 . 2]" 3
24 2 17 ASP HA 2 20 ASN QB 2.545 . 3.290 2.944 2.354 3.662 0.372 19 0 "[ . 1 . 2]" 3
25 2 19 LEU HA 2 22 GLN QG 3.425 . 5.050 3.834 2.293 5.537 0.487 18 0 "[ . 1 . 2]" 3
26 2 12 LEU HA 2 15 ILE H 3.285 . 4.770 3.610 3.409 3.910 . 0 0 "[ . 1 . 2]" 3
27 2 18 ASP HA 2 21 ALA H 2.935 . 4.070 3.607 3.205 3.971 . 0 0 "[ . 1 . 2]" 3
28 2 3 GLU HA 2 6 ARG H 3.080 . 4.360 3.534 3.207 3.909 . 0 0 "[ . 1 . 2]" 3
29 2 8 ILE HA 2 11 GLN H 3.155 . 4.510 3.574 3.323 3.809 . 0 0 "[ . 1 . 2]" 3
30 2 8 ILE MD 2 11 GLN H 3.625 . 5.450 4.992 4.707 5.494 0.044 18 0 "[ . 1 . 2]" 3
31 2 6 ARG HA 2 10 ALA H 3.150 . 4.500 3.885 3.539 4.159 . 0 0 "[ . 1 . 2]" 3
32 2 5 ALA HA 2 8 ILE H 3.155 . 4.510 3.616 3.301 4.385 . 0 0 "[ . 1 . 2]" 3
33 2 5 ALA MB 2 8 ILE H 3.625 . 5.450 4.783 4.551 5.268 . 0 0 "[ . 1 . 2]" 3
34 2 5 ALA MB 2 9 GLY H 3.460 . 5.120 4.320 4.169 4.516 . 0 0 "[ . 1 . 2]" 3
35 2 13 ARG HA 2 16 ALA H 3.095 . 4.390 3.616 3.300 3.824 . 0 0 "[ . 1 . 2]" 3
36 2 14 ARG HA 2 17 ASP H 3.055 . 4.310 3.702 3.320 4.203 . 0 0 "[ . 1 . 2]" 3
37 2 13 ARG HA 2 17 ASP H 3.475 . 5.150 3.715 3.455 3.955 . 0 0 "[ . 1 . 2]" 3
38 2 16 ALA HA 2 19 LEU H 3.140 . 4.480 3.616 3.442 3.892 . 0 0 "[ . 1 . 2]" 3
39 2 15 ILE MG 2 19 LEU H 3.390 . 4.980 4.104 3.802 4.420 . 0 0 "[ . 1 . 2]" 3
40 2 4 TRP HA 2 7 GLU H 2.780 . 3.760 3.630 3.155 3.984 0.224 10 0 "[ . 1 . 2]" 3
41 2 10 ALA HA 2 13 ARG H 3.105 . 4.410 3.601 3.308 3.881 . 0 0 "[ . 1 . 2]" 3
42 2 8 ILE HA 2 12 LEU H 3.375 . 4.950 3.852 3.421 4.206 . 0 0 "[ . 1 . 2]" 3
43 2 21 ALA HA 2 24 GLU H 2.825 . 3.850 3.472 2.957 4.019 0.169 6 0 "[ . 1 . 2]" 3
44 2 22 GLN HA 2 25 ARG H 3.555 . 5.310 4.219 3.092 5.016 . 0 0 "[ . 1 . 2]" 3
45 2 15 ILE HA 2 19 LEU H 3.575 . 5.350 4.069 3.802 4.444 . 0 0 "[ . 1 . 2]" 3
46 2 4 TRP HA 2 8 ILE H 3.645 . 5.490 3.987 3.348 4.378 . 0 0 "[ . 1 . 2]" 3
47 2 9 GLY QA 2 12 LEU H 3.235 . 4.670 3.672 3.380 3.931 . 0 0 "[ . 1 . 2]" 3
48 2 5 ALA HA 2 9 GLY H 3.650 . 5.500 3.653 3.283 3.946 . 0 0 "[ . 1 . 2]" 3
49 2 6 ARG HA 2 9 GLY H 3.515 . 5.230 3.753 3.239 4.177 . 0 0 "[ . 1 . 2]" 3
50 2 7 GLU HA 2 11 GLN H 3.165 . 4.530 4.029 3.609 4.447 . 0 0 "[ . 1 . 2]" 3
51 2 11 GLN HA 2 14 ARG H 3.110 . 4.420 3.402 3.104 3.697 . 0 0 "[ . 1 . 2]" 3
52 2 12 LEU HA 2 16 ALA H 3.400 . 5.000 3.957 3.685 4.268 . 0 0 "[ . 1 . 2]" 3
53 2 15 ILE HA 2 18 ASP H 3.290 . 4.780 3.900 3.622 4.302 . 0 0 "[ . 1 . 2]" 3
54 2 17 ASP HA 2 20 ASN H 3.015 . 4.230 3.620 3.360 4.139 . 0 0 "[ . 1 . 2]" 3
55 2 17 ASP HA 2 21 ALA H 3.135 . 4.470 3.767 3.326 4.039 . 0 0 "[ . 1 . 2]" 3
56 2 18 ASP HA 2 22 GLN H 3.280 . 4.760 4.072 3.419 4.497 . 0 0 "[ . 1 . 2]" 3
57 2 19 LEU HA 2 22 GLN H 3.150 . 4.500 3.932 3.638 4.422 . 0 0 "[ . 1 . 2]" 3
58 2 18 ASP HA 2 21 ALA MB 2.615 . 3.430 2.605 2.151 3.161 . 0 0 "[ . 1 . 2]" 3
59 2 2 GLU QB 2 5 ALA MB 3.525 . 4.460 2.652 1.790 4.253 0.010 2 0 "[ . 1 . 2]" 3
60 2 23 TYR QD 2 24 GLU QB 3.285 . 4.130 4.425 3.335 4.994 0.864 6 6 "[** .+* 1 .* -]" 3
61 2 2 GLU HA 2 4 TRP HE1 3.160 . 4.520 2.997 2.216 3.879 . 0 0 "[ . 1 . 2]" 3
62 2 5 ALA H 2 5 ALA MB 2.690 . 3.580 2.242 2.210 2.261 . 0 0 "[ . 1 . 2]" 3
63 2 5 ALA MB 2 6 ARG H 2.705 . 3.610 2.623 2.431 2.908 . 0 0 "[ . 1 . 2]" 3
64 2 6 ARG H 2 6 ARG QG 3.315 . 3.400 3.356 2.147 4.051 0.651 14 11 "[ *** * *1 -*+* **]" 3
65 2 6 ARG H 2 6 ARG QD 3.240 . 4.680 4.200 3.397 4.813 0.133 13 0 "[ . 1 . 2]" 3
66 2 7 GLU HA 2 7 GLU QG 2.890 . 3.430 2.580 2.190 3.365 . 0 0 "[ . 1 . 2]" 3
67 2 8 ILE MG 2 9 GLY H 2.855 . 3.910 3.088 1.939 3.604 . 0 0 "[ . 1 . 2]" 3
68 2 8 ILE HB 2 9 GLY H 3.140 . 4.480 2.659 2.294 4.106 . 0 0 "[ . 1 . 2]" 3
69 2 8 ILE H 2 8 ILE MD 2.880 . 3.960 2.862 2.040 4.386 0.426 7 0 "[ . 1 . 2]" 3
70 2 8 ILE HA 2 8 ILE MD 2.990 . 4.180 2.180 1.938 2.845 . 0 0 "[ . 1 . 2]" 3
71 2 8 ILE HB 2 8 ILE MD 2.590 . 3.380 2.944 2.312 3.239 . 0 0 "[ . 1 . 2]" 3
72 2 8 ILE MD 2 8 ILE MG 2.410 . 3.020 2.499 2.036 3.262 0.242 12 0 "[ . 1 . 2]" 3
73 2 8 ILE HA 2 8 ILE MG 2.685 . 3.570 2.526 2.283 3.203 . 0 0 "[ . 1 . 2]" 3
74 2 8 ILE H 2 8 ILE MG 2.880 . 3.960 3.565 1.893 3.797 . 0 0 "[ . 1 . 2]" 3
75 2 10 ALA MB 2 11 GLN H 2.690 . 3.580 2.555 2.386 2.776 . 0 0 "[ . 1 . 2]" 3
76 2 10 ALA H 2 10 ALA MB 2.410 . 3.020 2.247 2.234 2.261 . 0 0 "[ . 1 . 2]" 3
77 2 12 LEU QB 2 12 LEU MD1 2.855 . 3.910 2.203 2.091 2.387 . 0 0 "[ . 1 . 2]" 3
78 2 15 ILE HA 2 15 ILE MD 2.870 . 3.940 3.864 3.802 3.938 . 0 0 "[ . 1 . 2]" 3
79 2 15 ILE MD 2 15 ILE MG 2.450 . 3.100 1.934 1.844 2.123 . 0 0 "[ . 1 . 2]" 3
80 2 15 ILE H 2 15 ILE MD 2.780 . 3.760 3.506 3.297 3.662 . 0 0 "[ . 1 . 2]" 3
81 2 15 ILE HA 2 15 ILE MG 2.730 . 3.660 2.395 2.290 2.458 . 0 0 "[ . 1 . 2]" 3
82 2 15 ILE H 2 15 ILE MG 2.845 . 3.890 3.779 3.752 3.797 . 0 0 "[ . 1 . 2]" 3
83 2 15 ILE MG 2 16 ALA H 2.855 . 3.910 3.356 3.124 3.607 . 0 0 "[ . 1 . 2]" 3
84 2 15 ILE HB 2 15 ILE MD 2.385 . 2.970 2.406 2.332 2.447 . 0 0 "[ . 1 . 2]" 3
85 2 15 ILE H 2 15 ILE QG 3.365 . 4.930 2.039 1.839 2.188 . 0 0 "[ . 1 . 2]" 3
86 2 19 LEU QB 2 19 LEU MD1 2.910 . 4.020 2.212 2.104 2.301 . 0 0 "[ . 1 . 2]" 3
87 2 19 LEU H 2 19 LEU MD1 3.030 . 4.260 4.090 3.866 4.256 . 0 0 "[ . 1 . 2]" 3
88 2 19 LEU MD1 2 20 ASN H 3.285 . 4.770 4.501 4.342 4.690 . 0 0 "[ . 1 . 2]" 3
89 2 19 LEU QB 2 19 LEU MD2 2.910 . 4.020 2.078 2.059 2.090 . 0 0 "[ . 1 . 2]" 3
90 2 19 LEU MD2 2 20 ASN H 3.285 . 4.770 3.778 3.239 4.090 . 0 0 "[ . 1 . 2]" 3
91 2 21 ALA H 2 21 ALA MB 2.365 . 2.930 2.238 2.224 2.253 . 0 0 "[ . 1 . 2]" 3
92 2 23 TYR QD 2 24 GLU HA 3.130 . 4.460 4.899 3.688 5.517 1.057 9 10 "[* * * *+1** . - **]" 3
93 2 24 GLU H 2 24 GLU QG 3.320 . 4.260 3.939 3.818 4.082 . 0 0 "[ . 1 . 2]" 3
94 2 12 LEU QB 2 12 LEU MD2 2.855 . 3.910 2.203 2.089 2.354 . 0 0 "[ . 1 . 2]" 3
95 2 14 ARG HA 2 14 ARG QG 2.785 . 3.770 2.483 2.146 2.954 . 0 0 "[ . 1 . 2]" 3
96 2 22 GLN HA 2 22 GLN QG 2.955 . 3.340 2.469 2.010 3.355 0.015 7 0 "[ . 1 . 2]" 3
97 2 14 ARG QB 2 14 ARG QD 2.655 . 3.510 2.349 2.065 2.899 . 0 0 "[ . 1 . 2]" 3
98 2 14 ARG QD 2 14 ARG QG 2.350 . 2.900 2.032 1.975 2.091 . 0 0 "[ . 1 . 2]" 3
99 2 14 ARG H 2 14 ARG QG 3.140 . 4.480 3.268 2.098 4.033 . 0 0 "[ . 1 . 2]" 3
100 2 14 ARG H 2 14 ARG QD 3.105 . 4.410 4.083 2.598 4.757 0.347 15 0 "[ . 1 . 2]" 3
101 2 6 ARG QG 2 7 GLU H 3.650 . 4.470 3.828 2.427 4.336 . 0 0 "[ . 1 . 2]" 3
102 2 6 ARG QD 2 7 GLU H 3.385 . 4.970 4.740 4.318 5.384 0.414 6 0 "[ . 1 . 2]" 3
103 2 4 TRP HA 2 4 TRP HD1 3.650 . 5.500 4.192 4.069 4.340 . 0 0 "[ . 1 . 2]" 3
104 2 4 TRP HZ2 2 5 ALA MB 3.650 . 5.500 4.153 3.657 4.582 . 0 0 "[ . 1 . 2]" 3
105 2 4 TRP HH2 2 5 ALA MB 3.650 . 5.500 3.820 3.575 4.222 . 0 0 "[ . 1 . 2]" 3
106 2 4 TRP QB 2 5 ALA H 3.650 . 5.500 3.244 3.058 3.463 . 0 0 "[ . 1 . 2]" 3
107 2 5 ALA MB 2 6 ARG HA 3.650 . 5.500 3.875 3.831 3.963 . 0 0 "[ . 1 . 2]" 3
108 2 14 ARG HA 2 14 ARG QD 2.745 . 3.690 3.347 1.812 4.209 0.519 6 1 "[ .+ 1 . 2]" 3
109 2 13 ARG QB 2 14 ARG H 3.375 . 4.320 2.581 2.316 3.415 . 0 0 "[ . 1 . 2]" 3
110 2 2 GLU QB 2 4 TRP HE1 3.295 . 4.370 4.666 3.346 5.267 0.897 3 9 "[**+-** ** * . 2]" 3
111 2 6 ARG HA 2 6 ARG QG 2.690 . 3.580 2.465 2.136 3.369 . 0 0 "[ . 1 . 2]" 3
112 2 8 ILE QG 2 9 GLY H 3.140 . 4.480 3.986 3.213 4.559 0.079 10 0 "[ . 1 . 2]" 3
113 2 12 LEU HA 2 12 LEU QD 2.500 . 3.200 1.917 1.796 2.420 0.004 13 0 "[ . 1 . 2]" 3
114 2 12 LEU QB 2 12 LEU QD 2.310 . 2.820 1.946 1.922 1.968 . 0 0 "[ . 1 . 2]" 3
115 2 19 LEU HA 2 19 LEU QD 2.450 . 3.100 2.243 1.987 2.664 . 0 0 "[ . 1 . 2]" 3
116 2 19 LEU QB 2 19 LEU QD 2.320 . 2.840 1.904 1.860 1.934 . 0 0 "[ . 1 . 2]" 3
117 2 22 GLN H 2 22 GLN QG 2.815 . 3.830 2.706 1.952 3.995 0.165 9 0 "[ . 1 . 2]" 3
118 2 24 GLU HA 2 24 GLU QG 2.770 . 3.740 2.369 2.207 2.793 . 0 0 "[ . 1 . 2]" 3
119 2 20 ASN H 2 20 ASN QB 2.940 . 4.080 2.211 2.045 2.289 . 0 0 "[ . 1 . 2]" 3
120 2 15 ILE H 2 16 ALA H 2.840 . 3.880 2.728 2.604 2.876 . 0 0 "[ . 1 . 2]" 3
121 2 14 ARG H 2 15 ILE H 2.910 . 4.020 2.827 2.702 2.945 . 0 0 "[ . 1 . 2]" 3
122 2 14 ARG QB 2 15 ILE H 2.845 . 3.890 2.457 2.291 2.639 . 0 0 "[ . 1 . 2]" 3
123 2 15 ILE H 2 15 ILE HB 2.725 . 3.650 2.586 2.461 2.733 . 0 0 "[ . 1 . 2]" 3
124 2 22 GLN H 2 23 TYR H 2.850 . 3.900 2.806 2.532 3.033 . 0 0 "[ . 1 . 2]" 3
125 2 23 TYR H 2 24 GLU H 2.810 . 3.820 2.407 2.199 2.677 . 0 0 "[ . 1 . 2]" 3
126 2 22 GLN H 2 22 GLN QB 2.830 . 3.300 2.343 2.054 2.645 . 0 0 "[ . 1 . 2]" 3
127 2 21 ALA MB 2 22 GLN H 2.785 . 3.770 2.613 2.307 2.958 . 0 0 "[ . 1 . 2]" 3
128 2 3 GLU H 2 4 TRP HE1 3.540 . 5.280 4.432 3.780 5.099 . 0 0 "[ . 1 . 2]" 3
129 2 4 TRP H 2 4 TRP HE1 3.185 . 4.570 4.032 3.826 4.429 . 0 0 "[ . 1 . 2]" 3
130 2 4 TRP HE1 2 5 ALA H 3.430 . 5.060 4.417 3.933 4.767 . 0 0 "[ . 1 . 2]" 3
131 2 9 GLY H 2 10 ALA H 2.750 . 3.700 2.778 2.613 2.885 . 0 0 "[ . 1 . 2]" 3
132 2 10 ALA H 2 11 GLN H 2.730 . 3.660 2.659 2.517 2.780 . 0 0 "[ . 1 . 2]" 3
133 2 8 ILE H 2 9 GLY H 2.960 . 4.120 2.745 2.577 2.875 . 0 0 "[ . 1 . 2]" 3
134 2 12 LEU H 2 13 ARG H 3.025 . 4.250 2.681 2.597 2.818 . 0 0 "[ . 1 . 2]" 3
135 2 11 GLN H 2 12 LEU H 2.860 . 3.920 2.748 2.594 2.886 . 0 0 "[ . 1 . 2]" 3
136 2 12 LEU H 2 12 LEU MD1 2.965 . 4.130 3.539 2.528 3.851 . 0 0 "[ . 1 . 2]" 3
137 2 13 ARG H 2 14 ARG H 2.875 . 3.950 2.725 2.604 2.848 . 0 0 "[ . 1 . 2]" 3
138 2 23 TYR QD 2 24 GLU H 2.955 . 4.110 3.780 2.818 4.557 0.447 2 0 "[ . 1 . 2]" 3
139 2 21 ALA H 2 22 GLN H 2.925 . 4.050 2.800 2.703 2.899 . 0 0 "[ . 1 . 2]" 3
140 2 20 ASN H 2 21 ALA H 2.945 . 4.090 2.692 2.514 2.881 . 0 0 "[ . 1 . 2]" 3
141 2 20 ASN QB 2 21 ALA H 3.025 . 3.740 2.583 2.382 2.845 . 0 0 "[ . 1 . 2]" 3
142 2 4 TRP H 2 4 TRP HD1 2.630 . 3.460 2.051 1.802 2.257 . 0 0 "[ . 1 . 2]" 3
143 2 5 ALA H 2 6 ARG H 2.770 . 3.740 2.619 2.446 2.780 . 0 0 "[ . 1 . 2]" 3
144 2 4 TRP H 2 5 ALA H 2.855 . 3.910 2.767 2.506 2.913 . 0 0 "[ . 1 . 2]" 3
145 2 7 GLU H 2 8 ILE H 2.935 . 4.070 2.751 2.616 2.890 . 0 0 "[ . 1 . 2]" 3
146 2 6 ARG H 2 7 GLU H 2.745 . 3.690 2.686 2.448 2.869 . 0 0 "[ . 1 . 2]" 3
147 2 24 GLU H 2 25 ARG H 3.060 . 4.320 2.692 2.334 3.044 . 0 0 "[ . 1 . 2]" 3
148 2 3 GLU H 2 4 TRP H 2.985 . 4.170 2.798 2.540 3.151 . 0 0 "[ . 1 . 2]" 3
149 2 3 GLU H 2 4 TRP HD1 3.230 . 4.660 3.501 3.075 4.116 . 0 0 "[ . 1 . 2]" 3
150 2 3 GLU H 2 3 GLU QG 2.870 . 3.940 3.073 1.795 4.065 0.125 20 0 "[ . 1 . 2]" 3
151 2 3 GLU H 2 3 GLU QB 2.685 . 3.570 2.427 2.164 2.806 . 0 0 "[ . 1 . 2]" 3
152 2 2 GLU QB 2 3 GLU H 3.445 . 4.420 3.792 2.948 4.039 . 0 0 "[ . 1 . 2]" 3
153 2 4 TRP H 2 4 TRP QB 2.620 . 3.440 2.648 2.457 2.745 . 0 0 "[ . 1 . 2]" 3
154 2 3 GLU QG 2 4 TRP H 3.105 . 4.410 3.821 2.003 4.637 0.227 18 0 "[ . 1 . 2]" 3
155 2 3 GLU QB 2 4 TRP H 2.735 . 3.670 2.709 2.249 3.485 . 0 0 "[ . 1 . 2]" 3
156 2 4 TRP H 2 5 ALA MB 3.395 . 4.990 4.438 4.224 4.594 . 0 0 "[ . 1 . 2]" 3
157 2 4 TRP QB 2 4 TRP HE1 3.165 . 4.530 4.467 4.444 4.486 . 0 0 "[ . 1 . 2]" 3
158 2 2 GLU QG 2 4 TRP HE1 3.050 . 4.300 4.214 2.776 5.254 0.954 14 4 "[* . 1 +. -* 2]" 3
159 2 4 TRP HE1 2 5 ALA MB 3.370 . 4.940 4.685 3.848 5.292 0.352 16 0 "[ . 1 . 2]" 3
160 2 6 ARG H 2 6 ARG QB 2.845 . 3.890 2.256 2.060 2.579 . 0 0 "[ . 1 . 2]" 3
161 2 11 GLN HA 2 11 GLN HE22 3.580 . 5.360 5.394 4.234 5.890 0.530 3 1 "[ + . 1 . 2]" 3
162 2 11 GLN H 2 11 GLN QB 2.820 . 3.840 2.193 2.050 2.353 . 0 0 "[ . 1 . 2]" 3
163 2 11 GLN QB 2 12 LEU H 3.025 . 4.250 2.472 2.284 2.631 . 0 0 "[ . 1 . 2]" 3
164 2 12 LEU H 2 12 LEU HG 2.910 . 4.020 3.538 2.283 4.604 0.584 13 7 "[ -** * 1* + . * 2]" 3
165 2 14 ARG H 2 14 ARG QB 2.530 . 3.260 2.247 2.049 2.488 . 0 0 "[ . 1 . 2]" 3
166 2 15 ILE HB 2 16 ALA H 2.770 . 3.740 2.462 2.319 2.626 . 0 0 "[ . 1 . 2]" 3
167 2 16 ALA H 2 16 ALA MB 2.625 . 3.450 2.197 2.127 2.225 . 0 0 "[ . 1 . 2]" 3
168 2 16 ALA H 2 17 ASP H 2.980 . 4.160 2.765 2.625 2.893 . 0 0 "[ . 1 . 2]" 3
169 2 17 ASP H 2 18 ASP H 2.715 . 3.630 2.820 2.653 2.928 . 0 0 "[ . 1 . 2]" 3
170 2 17 ASP H 2 17 ASP QB 2.610 . 3.420 2.249 2.081 2.418 . 0 0 "[ . 1 . 2]" 3
171 2 16 ALA MB 2 17 ASP H 2.775 . 3.750 2.448 2.236 2.593 . 0 0 "[ . 1 . 2]" 3
172 2 19 LEU H 2 20 ASN H 2.940 . 4.080 2.816 2.710 2.945 . 0 0 "[ . 1 . 2]" 3
173 2 18 ASP QB 2 19 LEU H 3.050 . 3.780 2.605 2.317 3.211 . 0 0 "[ . 1 . 2]" 3
174 2 19 LEU H 2 19 LEU QB 2.855 . 3.910 2.210 2.162 2.239 . 0 0 "[ . 1 . 2]" 3
175 2 18 ASP H 2 18 ASP QB 2.780 . 3.160 2.276 2.103 2.524 . 0 0 "[ . 1 . 2]" 3
176 2 20 ASN HA 2 20 ASN HD22 3.425 . 5.050 3.758 3.131 4.661 . 0 0 "[ . 1 . 2]" 3
177 2 22 GLN HA 2 22 GLN HE22 3.650 . 5.500 5.262 3.365 6.208 0.708 7 3 "[ . + 1 - * 2]" 3
178 2 7 GLU H 2 7 GLU QB 2.720 . 3.120 2.232 2.122 2.462 . 0 0 "[ . 1 . 2]" 3
179 2 6 ARG QB 2 7 GLU H 2.900 . 4.000 2.518 2.328 3.576 . 0 0 "[ . 1 . 2]" 3
180 2 5 ALA MB 2 7 GLU H 3.420 . 5.040 4.668 4.446 4.877 . 0 0 "[ . 1 . 2]" 3
181 2 20 ASN HA 2 20 ASN HD21 3.425 . 5.050 2.726 1.722 4.206 0.078 5 0 "[ . 1 . 2]" 3
182 2 25 ARG HE 2 26 ARG H 3.055 . 4.310 5.050 4.273 5.312 1.002 10 15 "[***** * *+ ***.* -**]" 3
183 2 11 GLN HA 2 11 GLN HE21 3.580 . 5.360 4.375 3.690 5.115 . 0 0 "[ . 1 . 2]" 3
184 2 22 GLN HA 2 22 GLN HE21 3.650 . 5.500 4.386 2.570 5.299 . 0 0 "[ . 1 . 2]" 3
185 2 11 GLN HA 2 11 GLN QE 3.240 . 4.680 4.170 3.617 4.778 0.098 9 0 "[ . 1 . 2]" 3
186 2 12 LEU H 2 12 LEU QB 2.740 . 3.680 2.182 2.043 2.428 . 0 0 "[ . 1 . 2]" 3
187 2 12 LEU H 2 12 LEU QD 2.715 . 3.630 3.256 2.504 3.486 . 0 0 "[ . 1 . 2]" 3
188 2 13 ARG H 2 13 ARG QB 2.660 . 3.520 2.184 2.041 2.315 . 0 0 "[ . 1 . 2]" 3
189 2 22 GLN HA 2 22 GLN QE 3.260 . 4.720 4.147 2.494 4.958 0.238 16 0 "[ . 1 . 2]" 3
190 2 4 TRP QB 2 4 TRP HE3 2.815 . 3.830 2.466 2.418 2.521 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 152
_Distance_constraint_stats_list.Viol_count 1385
_Distance_constraint_stats_list.Viol_total 3186.755
_Distance_constraint_stats_list.Viol_max 0.382
_Distance_constraint_stats_list.Viol_rms 0.0840
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0524
_Distance_constraint_stats_list.Viol_average_violations_only 0.1150
_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 9 LEU 0.346 0.075 3 0 "[ . 1 . 2]"
1 10 TYR 1.157 0.163 10 0 "[ . 1 . 2]"
1 11 ARG 5.326 0.328 18 0 "[ . 1 . 2]"
1 12 GLN 0.336 0.084 15 0 "[ . 1 . 2]"
1 13 SER 0.532 0.075 3 0 "[ . 1 . 2]"
1 14 LEU 2.920 0.247 2 0 "[ . 1 . 2]"
1 15 GLU 6.232 0.328 18 0 "[ . 1 . 2]"
1 16 ILE 1.708 0.264 18 0 "[ . 1 . 2]"
1 17 ILE 0.401 0.065 11 0 "[ . 1 . 2]"
1 18 SER 2.820 0.247 2 0 "[ . 1 . 2]"
1 19 ARG 2.591 0.235 1 0 "[ . 1 . 2]"
1 20 TYR 3.087 0.264 18 0 "[ . 1 . 2]"
1 21 LEU 1.549 0.289 5 0 "[ . 1 . 2]"
1 22 ARG 1.058 0.195 14 0 "[ . 1 . 2]"
1 23 GLU 1.685 0.198 20 0 "[ . 1 . 2]"
1 24 GLN 1.715 0.233 11 0 "[ . 1 . 2]"
1 25 ALA 1.334 0.289 5 0 "[ . 1 . 2]"
1 40 ALA 0.547 0.228 3 0 "[ . 1 . 2]"
1 41 GLY 0.393 0.129 14 0 "[ . 1 . 2]"
1 42 ARG 2.262 0.247 5 0 "[ . 1 . 2]"
1 43 ARG 2.338 0.259 6 0 "[ . 1 . 2]"
1 44 ALA 1.115 0.228 3 0 "[ . 1 . 2]"
1 45 LEU 1.346 0.203 10 0 "[ . 1 . 2]"
1 46 GLU 5.439 0.247 5 0 "[ . 1 . 2]"
1 47 THR 4.409 0.259 6 0 "[ . 1 . 2]"
1 48 LEU 0.727 0.124 5 0 "[ . 1 . 2]"
1 49 ARG 2.342 0.249 17 0 "[ . 1 . 2]"
1 50 ARG 7.484 0.298 15 0 "[ . 1 . 2]"
1 51 VAL 2.318 0.162 10 0 "[ . 1 . 2]"
1 52 GLY 4.324 0.315 17 0 "[ . 1 . 2]"
1 53 ASP 4.903 0.259 4 0 "[ . 1 . 2]"
1 54 GLY 6.374 0.298 15 0 "[ . 1 . 2]"
1 55 VAL 0.247 0.054 13 0 "[ . 1 . 2]"
1 56 GLN 4.165 0.315 17 0 "[ . 1 . 2]"
1 57 ARG 3.513 0.259 4 0 "[ . 1 . 2]"
1 58 ASN 2.068 0.291 15 0 "[ . 1 . 2]"
1 60 GLU 0.436 0.085 13 0 "[ . 1 . 2]"
1 61 THR 2.879 0.233 17 0 "[ . 1 . 2]"
1 62 ALA 1.827 0.240 20 0 "[ . 1 . 2]"
1 63 PHE 0.181 0.071 1 0 "[ . 1 . 2]"
1 64 GLN 1.594 0.215 9 0 "[ . 1 . 2]"
1 65 GLY 2.879 0.233 17 0 "[ . 1 . 2]"
1 66 MET 1.827 0.240 20 0 "[ . 1 . 2]"
1 67 LEU 0.181 0.071 1 0 "[ . 1 . 2]"
1 68 ARG 1.158 0.215 9 0 "[ . 1 . 2]"
1 77 ASP 4.331 0.257 5 0 "[ . 1 . 2]"
1 78 VAL 4.248 0.266 11 0 "[ . 1 . 2]"
1 79 LYS 7.391 0.310 19 0 "[ . 1 . 2]"
1 80 SER 2.116 0.279 16 0 "[ . 1 . 2]"
1 81 PHE 6.997 0.257 5 0 "[ . 1 . 2]"
1 82 SER 5.859 0.266 11 0 "[ . 1 . 2]"
1 83 ARG 8.020 0.310 19 0 "[ . 1 . 2]"
1 84 VAL 8.754 0.363 16 0 "[ . 1 . 2]"
1 85 MET 2.666 0.253 18 0 "[ . 1 . 2]"
1 86 VAL 1.611 0.255 18 0 "[ . 1 . 2]"
1 87 HIS 0.629 0.204 3 0 "[ . 1 . 2]"
1 88 VAL 6.638 0.363 16 0 "[ . 1 . 2]"
1 96 TRP 2.828 0.276 7 0 "[ . 1 . 2]"
1 97 GLY 3.715 0.278 13 0 "[ . 1 . 2]"
1 98 ARG 5.831 0.348 17 0 "[ . 1 . 2]"
1 99 ILE 4.654 0.288 17 0 "[ . 1 . 2]"
1 100 VAL 3.534 0.276 7 0 "[ . 1 . 2]"
1 101 THR 3.924 0.278 13 0 "[ . 1 . 2]"
1 102 LEU 7.186 0.348 17 0 "[ . 1 . 2]"
1 103 ILE 4.857 0.288 17 0 "[ . 1 . 2]"
1 104 SER 2.581 0.219 20 0 "[ . 1 . 2]"
1 105 PHE 0.306 0.047 17 0 "[ . 1 . 2]"
1 106 GLY 2.165 0.224 2 0 "[ . 1 . 2]"
1 107 ALA 1.851 0.228 8 0 "[ . 1 . 2]"
1 108 PHE 2.883 0.219 20 0 "[ . 1 . 2]"
1 109 VAL 0.439 0.053 16 0 "[ . 1 . 2]"
1 110 ALA 1.419 0.224 2 0 "[ . 1 . 2]"
1 111 LYS 2.591 0.228 8 0 "[ . 1 . 2]"
1 112 HIS 1.009 0.201 19 0 "[ . 1 . 2]"
1 113 LEU 0.341 0.053 16 0 "[ . 1 . 2]"
1 114 LYS 0.608 0.218 18 0 "[ . 1 . 2]"
1 115 SER 0.944 0.206 18 0 "[ . 1 . 2]"
1 119 GLU 11.695 0.382 4 0 "[ . 1 . 2]"
1 121 PHE 4.361 0.282 17 0 "[ . 1 . 2]"
1 122 ILE 0.278 0.058 17 0 "[ . 1 . 2]"
1 123 GLU 16.148 0.382 4 0 "[ . 1 . 2]"
1 124 PRO 0.810 0.213 7 0 "[ . 1 . 2]"
1 125 LEU 4.703 0.282 17 0 "[ . 1 . 2]"
1 126 ALA 5.003 0.232 11 0 "[ . 1 . 2]"
1 127 GLU 5.099 0.292 17 0 "[ . 1 . 2]"
1 128 THR 0.899 0.213 7 0 "[ . 1 . 2]"
1 129 ILE 0.649 0.066 6 0 "[ . 1 . 2]"
1 130 THR 5.353 0.272 2 0 "[ . 1 . 2]"
1 131 ASP 1.203 0.246 7 0 "[ . 1 . 2]"
1 132 VAL 3.097 0.297 20 0 "[ . 1 . 2]"
1 133 LEU 0.306 0.066 6 0 "[ . 1 . 2]"
1 134 VAL 0.628 0.272 2 0 "[ . 1 . 2]"
1 135 ARG 0.557 0.127 14 0 "[ . 1 . 2]"
1 136 THR 3.008 0.297 20 0 "[ . 1 . 2]"
1 138 ARG 3.939 0.261 17 0 "[ . 1 . 2]"
1 139 ASP 4.053 0.314 5 0 "[ . 1 . 2]"
1 142 VAL 3.939 0.261 17 0 "[ . 1 . 2]"
1 143 LYS 4.053 0.314 5 0 "[ . 1 . 2]"
1 146 GLY 4.287 0.350 11 0 "[ . 1 . 2]"
1 147 TRP 0.549 0.168 6 0 "[ . 1 . 2]"
1 148 ASP 4.129 0.304 10 0 "[ . 1 . 2]"
1 149 GLY 1.981 0.275 10 0 "[ . 1 . 2]"
1 150 PHE 4.287 0.350 11 0 "[ . 1 . 2]"
1 151 VAL 0.549 0.168 6 0 "[ . 1 . 2]"
1 152 GLU 4.129 0.304 10 0 "[ . 1 . 2]"
1 153 PHE 1.981 0.275 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 LEU O 1 13 SER H 1.900 . 2.000 1.810 1.725 1.974 0.075 3 0 "[ . 1 . 2]" 4
2 1 9 LEU O 1 13 SER N 2.850 2.700 3.000 2.773 2.694 2.935 0.006 3 0 "[ . 1 . 2]" 4
3 1 10 TYR O 1 14 LEU H 1.900 . 2.000 1.978 1.822 2.163 0.163 10 0 "[ . 1 . 2]" 4
4 1 10 TYR O 1 14 LEU N 2.850 2.700 3.000 2.912 2.760 3.117 0.117 10 0 "[ . 1 . 2]" 4
5 1 11 ARG O 1 15 GLU H 1.900 . 2.000 2.142 1.908 2.328 0.328 18 0 "[ . 1 . 2]" 4
6 1 11 ARG O 1 15 GLU N 2.850 2.700 3.000 3.103 2.887 3.298 0.298 18 0 "[ . 1 . 2]" 4
7 1 12 GLN O 1 16 ILE H 1.900 . 2.000 1.844 1.750 2.084 0.084 15 0 "[ . 1 . 2]" 4
8 1 12 GLN O 1 16 ILE N 2.850 2.700 3.000 2.815 2.725 3.034 0.034 15 0 "[ . 1 . 2]" 4
9 1 13 SER O 1 17 ILE H 1.900 . 2.000 1.866 1.765 2.065 0.065 11 0 "[ . 1 . 2]" 4
10 1 13 SER O 1 17 ILE N 2.850 2.700 3.000 2.826 2.728 3.016 0.016 11 0 "[ . 1 . 2]" 4
11 1 14 LEU O 1 18 SER H 1.900 . 2.000 2.001 1.804 2.247 0.247 2 0 "[ . 1 . 2]" 4
12 1 14 LEU O 1 18 SER N 2.850 2.700 3.000 2.928 2.720 3.141 0.141 6 0 "[ . 1 . 2]" 4
13 1 15 GLU O 1 19 ARG H 1.900 . 2.000 1.888 1.754 2.235 0.235 1 0 "[ . 1 . 2]" 4
14 1 15 GLU O 1 19 ARG N 2.850 2.700 3.000 2.833 2.686 3.152 0.152 1 0 "[ . 1 . 2]" 4
15 1 16 ILE O 1 20 TYR H 1.900 . 2.000 1.998 1.843 2.264 0.264 18 0 "[ . 1 . 2]" 4
16 1 16 ILE O 1 20 TYR N 2.850 2.700 3.000 2.947 2.794 3.248 0.248 18 0 "[ . 1 . 2]" 4
17 1 17 ILE O 1 21 LEU H 1.900 . 2.000 1.831 1.765 2.052 0.052 13 0 "[ . 1 . 2]" 4
18 1 17 ILE O 1 21 LEU N 2.850 2.700 3.000 2.791 2.691 2.999 0.009 20 0 "[ . 1 . 2]" 4
19 1 18 SER O 1 22 ARG H 1.900 . 2.000 2.004 1.805 2.195 0.195 14 0 "[ . 1 . 2]" 4
20 1 18 SER O 1 22 ARG N 2.850 2.700 3.000 2.930 2.784 3.070 0.070 9 0 "[ . 1 . 2]" 4
21 1 19 ARG O 1 23 GLU H 1.900 . 2.000 2.005 1.772 2.198 0.198 20 0 "[ . 1 . 2]" 4
22 1 19 ARG O 1 23 GLU N 2.850 2.700 3.000 2.961 2.716 3.175 0.175 17 0 "[ . 1 . 2]" 4
23 1 20 TYR O 1 24 GLN H 1.900 . 2.000 1.959 1.765 2.233 0.233 11 0 "[ . 1 . 2]" 4
24 1 20 TYR O 1 24 GLN N 2.850 2.700 3.000 2.890 2.702 3.163 0.163 20 0 "[ . 1 . 2]" 4
25 1 21 LEU O 1 25 ALA H 1.900 . 2.000 1.952 1.770 2.289 0.289 5 0 "[ . 1 . 2]" 4
26 1 21 LEU O 1 25 ALA N 2.850 2.700 3.000 2.853 2.696 3.187 0.187 5 0 "[ . 1 . 2]" 4
27 1 40 ALA O 1 44 ALA H 1.900 . 2.000 1.901 1.749 2.228 0.228 3 0 "[ . 1 . 2]" 4
28 1 40 ALA O 1 44 ALA N 2.850 2.700 3.000 2.808 2.690 3.142 0.142 3 0 "[ . 1 . 2]" 4
29 1 41 GLY O 1 45 LEU H 1.900 . 2.000 1.849 1.718 2.129 0.129 14 0 "[ . 1 . 2]" 4
30 1 41 GLY O 1 45 LEU N 2.850 2.700 3.000 2.803 2.689 3.017 0.017 14 0 "[ . 1 . 2]" 4
31 1 42 ARG O 1 46 GLU H 1.900 . 2.000 2.033 1.774 2.247 0.247 5 0 "[ . 1 . 2]" 4
32 1 42 ARG O 1 46 GLU N 2.850 2.700 3.000 2.984 2.747 3.215 0.215 5 0 "[ . 1 . 2]" 4
33 1 43 ARG O 1 47 THR H 1.900 . 2.000 2.015 1.798 2.259 0.259 6 0 "[ . 1 . 2]" 4
34 1 43 ARG O 1 47 THR N 2.850 2.700 3.000 2.953 2.733 3.165 0.165 6 0 "[ . 1 . 2]" 4
35 1 44 ALA O 1 48 LEU H 1.900 . 2.000 1.858 1.732 2.124 0.124 5 0 "[ . 1 . 2]" 4
36 1 44 ALA O 1 48 LEU N 2.850 2.700 3.000 2.810 2.693 3.075 0.075 5 0 "[ . 1 . 2]" 4
37 1 45 LEU O 1 49 ARG H 1.900 . 2.000 1.955 1.788 2.203 0.203 10 0 "[ . 1 . 2]" 4
38 1 45 LEU O 1 49 ARG N 2.850 2.700 3.000 2.875 2.738 3.110 0.110 10 0 "[ . 1 . 2]" 4
39 1 46 GLU O 1 50 ARG H 1.900 . 2.000 2.053 1.806 2.238 0.238 7 0 "[ . 1 . 2]" 4
40 1 46 GLU O 1 50 ARG N 2.850 2.700 3.000 2.998 2.716 3.209 0.209 7 0 "[ . 1 . 2]" 4
41 1 47 THR O 1 51 VAL H 1.900 . 2.000 2.011 1.792 2.162 0.162 10 0 "[ . 1 . 2]" 4
42 1 47 THR O 1 51 VAL N 2.850 2.700 3.000 2.987 2.774 3.141 0.141 10 0 "[ . 1 . 2]" 4
43 1 48 LEU O 1 52 GLY H 1.900 . 2.000 1.862 1.766 2.003 0.034 15 0 "[ . 1 . 2]" 4
44 1 48 LEU O 1 52 GLY N 2.850 2.700 3.000 2.754 2.671 2.904 0.029 14 0 "[ . 1 . 2]" 4
45 1 49 ARG O 1 53 ASP H 1.900 . 2.000 1.924 1.770 2.249 0.249 17 0 "[ . 1 . 2]" 4
46 1 49 ARG O 1 53 ASP N 2.850 2.700 3.000 2.882 2.742 3.178 0.178 17 0 "[ . 1 . 2]" 4
47 1 50 ARG O 1 54 GLY H 1.900 . 2.000 2.153 1.818 2.298 0.298 15 0 "[ . 1 . 2]" 4
48 1 50 ARG O 1 54 GLY N 2.850 2.700 3.000 2.980 2.669 3.150 0.150 15 0 "[ . 1 . 2]" 4
49 1 51 VAL O 1 55 VAL H 1.900 . 2.000 1.834 1.746 1.976 0.054 13 0 "[ . 1 . 2]" 4
50 1 51 VAL O 1 55 VAL N 2.850 2.700 3.000 2.803 2.695 2.943 0.005 13 0 "[ . 1 . 2]" 4
51 1 52 GLY O 1 56 GLN H 1.900 . 2.000 2.105 1.798 2.315 0.315 17 0 "[ . 1 . 2]" 4
52 1 52 GLY O 1 56 GLN N 2.850 2.700 3.000 3.030 2.738 3.276 0.276 17 0 "[ . 1 . 2]" 4
53 1 53 ASP O 1 57 ARG H 1.900 . 2.000 2.104 1.822 2.259 0.259 4 0 "[ . 1 . 2]" 4
54 1 53 ASP O 1 57 ARG N 2.850 2.700 3.000 2.999 2.737 3.153 0.153 1 0 "[ . 1 . 2]" 4
55 1 54 GLY O 1 58 ASN H 1.900 . 2.000 2.023 1.804 2.291 0.291 15 0 "[ . 1 . 2]" 4
56 1 54 GLY O 1 58 ASN N 2.850 2.700 3.000 2.927 2.771 3.153 0.153 4 0 "[ . 1 . 2]" 4
57 1 60 GLU O 1 64 GLN H 1.900 . 2.000 1.794 1.715 1.903 0.085 13 0 "[ . 1 . 2]" 4
58 1 60 GLU O 1 64 GLN N 2.850 2.700 3.000 2.758 2.684 2.885 0.016 13 0 "[ . 1 . 2]" 4
59 1 61 THR O 1 65 GLY H 1.900 . 2.000 2.108 1.837 2.233 0.233 17 0 "[ . 1 . 2]" 4
60 1 61 THR O 1 65 GLY N 2.850 2.700 3.000 2.958 2.760 3.086 0.086 2 0 "[ . 1 . 2]" 4
61 1 62 ALA O 1 66 MET H 1.900 . 2.000 1.955 1.784 2.240 0.240 20 0 "[ . 1 . 2]" 4
62 1 62 ALA O 1 66 MET N 2.850 2.700 3.000 2.917 2.749 3.204 0.204 20 0 "[ . 1 . 2]" 4
63 1 63 PHE O 1 67 LEU H 1.900 . 2.000 1.861 1.771 2.071 0.071 1 0 "[ . 1 . 2]" 4
64 1 63 PHE O 1 67 LEU N 2.850 2.700 3.000 2.778 2.694 2.952 0.006 20 0 "[ . 1 . 2]" 4
65 1 64 GLN O 1 68 ARG H 1.900 . 2.000 1.969 1.792 2.215 0.215 9 0 "[ . 1 . 2]" 4
66 1 64 GLN O 1 68 ARG N 2.850 2.700 3.000 2.881 2.764 3.101 0.101 9 0 "[ . 1 . 2]" 4
67 1 77 ASP O 1 81 PHE H 1.900 . 2.000 2.135 1.866 2.257 0.257 5 0 "[ . 1 . 2]" 4
68 1 77 ASP O 1 81 PHE N 2.850 2.700 3.000 3.034 2.798 3.177 0.177 5 0 "[ . 1 . 2]" 4
69 1 78 VAL O 1 82 SER H 1.900 . 2.000 2.117 1.931 2.266 0.266 11 0 "[ . 1 . 2]" 4
70 1 78 VAL O 1 82 SER N 2.850 2.700 3.000 3.052 2.812 3.218 0.218 11 0 "[ . 1 . 2]" 4
71 1 79 LYS O 1 83 ARG H 1.900 . 2.000 2.235 2.083 2.310 0.310 19 0 "[ . 1 . 2]" 4
72 1 79 LYS O 1 83 ARG N 2.850 2.700 3.000 3.133 2.975 3.243 0.243 19 0 "[ . 1 . 2]" 4
73 1 80 SER O 1 84 VAL H 1.900 . 2.000 2.024 1.796 2.279 0.279 16 0 "[ . 1 . 2]" 4
74 1 80 SER O 1 84 VAL N 2.850 2.700 3.000 2.921 2.744 3.201 0.201 16 0 "[ . 1 . 2]" 4
75 1 81 PHE O 1 85 MET H 1.900 . 2.000 2.008 1.756 2.253 0.253 18 0 "[ . 1 . 2]" 4
76 1 81 PHE O 1 85 MET N 2.850 2.700 3.000 2.955 2.728 3.189 0.189 18 0 "[ . 1 . 2]" 4
77 1 82 SER O 1 86 VAL H 1.900 . 2.000 1.921 1.751 2.255 0.255 18 0 "[ . 1 . 2]" 4
78 1 82 SER O 1 86 VAL N 2.850 2.700 3.000 2.882 2.715 3.178 0.178 18 0 "[ . 1 . 2]" 4
79 1 83 ARG O 1 87 HIS H 1.900 . 2.000 1.985 1.864 2.204 0.204 3 0 "[ . 1 . 2]" 4
80 1 83 ARG O 1 87 HIS N 2.850 2.700 3.000 2.831 2.725 3.013 0.013 3 0 "[ . 1 . 2]" 4
81 1 84 VAL O 1 88 VAL H 1.900 . 2.000 2.221 1.958 2.363 0.363 16 0 "[ . 1 . 2]" 4
82 1 84 VAL O 1 88 VAL N 2.850 2.700 3.000 3.096 2.872 3.233 0.233 16 0 "[ . 1 . 2]" 4
83 1 96 TRP O 1 100 VAL H 1.900 . 2.000 2.001 1.777 2.276 0.276 7 0 "[ . 1 . 2]" 4
84 1 96 TRP O 1 100 VAL N 2.850 2.700 3.000 2.976 2.762 3.255 0.255 7 0 "[ . 1 . 2]" 4
85 1 97 GLY O 1 101 THR H 1.900 . 2.000 2.108 1.783 2.278 0.278 13 0 "[ . 1 . 2]" 4
86 1 97 GLY O 1 101 THR N 2.850 2.700 3.000 3.002 2.699 3.147 0.147 15 0 "[ . 1 . 2]" 4
87 1 98 ARG O 1 102 LEU H 1.900 . 2.000 2.175 1.951 2.348 0.348 17 0 "[ . 1 . 2]" 4
88 1 98 ARG O 1 102 LEU N 2.850 2.700 3.000 3.100 2.841 3.306 0.306 17 0 "[ . 1 . 2]" 4
89 1 99 ILE O 1 103 ILE H 1.900 . 2.000 2.117 1.784 2.288 0.288 17 0 "[ . 1 . 2]" 4
90 1 99 ILE O 1 103 ILE N 2.850 2.700 3.000 3.068 2.756 3.249 0.249 17 0 "[ . 1 . 2]" 4
91 1 100 VAL O 1 104 SER H 1.900 . 2.000 1.784 1.718 1.868 0.082 17 0 "[ . 1 . 2]" 4
92 1 100 VAL O 1 104 SER N 2.850 2.700 3.000 2.705 2.655 2.767 0.045 1 0 "[ . 1 . 2]" 4
93 1 101 THR O 1 105 PHE H 1.900 . 2.000 1.828 1.753 1.993 0.047 17 0 "[ . 1 . 2]" 4
94 1 101 THR O 1 105 PHE N 2.850 2.700 3.000 2.785 2.720 2.930 . 0 0 "[ . 1 . 2]" 4
95 1 102 LEU O 1 106 GLY H 1.900 . 2.000 2.013 1.835 2.211 0.211 15 0 "[ . 1 . 2]" 4
96 1 102 LEU O 1 106 GLY N 2.850 2.700 3.000 2.937 2.748 3.157 0.157 15 0 "[ . 1 . 2]" 4
97 1 103 ILE O 1 107 ALA H 1.900 . 2.000 1.805 1.766 1.876 0.034 10 0 "[ . 1 . 2]" 4
98 1 103 ILE O 1 107 ALA N 2.850 2.700 3.000 2.717 2.685 2.787 0.015 19 0 "[ . 1 . 2]" 4
99 1 104 SER O 1 108 PHE H 1.900 . 2.000 2.047 1.867 2.219 0.219 20 0 "[ . 1 . 2]" 4
100 1 104 SER O 1 108 PHE N 2.850 2.700 3.000 2.959 2.772 3.112 0.112 4 0 "[ . 1 . 2]" 4
101 1 105 PHE O 1 109 VAL H 1.900 . 2.000 1.923 1.791 2.045 0.045 15 0 "[ . 1 . 2]" 4
102 1 105 PHE O 1 109 VAL N 2.850 2.700 3.000 2.845 2.706 2.962 . 0 0 "[ . 1 . 2]" 4
103 1 106 GLY O 1 110 ALA H 1.900 . 2.000 1.941 1.794 2.224 0.224 2 0 "[ . 1 . 2]" 4
104 1 106 GLY O 1 110 ALA N 2.850 2.700 3.000 2.873 2.700 3.178 0.178 2 0 "[ . 1 . 2]" 4
105 1 107 ALA O 1 111 LYS H 1.900 . 2.000 2.033 1.856 2.228 0.228 8 0 "[ . 1 . 2]" 4
106 1 107 ALA O 1 111 LYS N 2.850 2.700 3.000 2.939 2.797 3.100 0.100 20 0 "[ . 1 . 2]" 4
107 1 108 PHE O 1 112 HIS H 1.900 . 2.000 1.957 1.782 2.201 0.201 19 0 "[ . 1 . 2]" 4
108 1 108 PHE O 1 112 HIS N 2.850 2.700 3.000 2.889 2.739 3.138 0.138 16 0 "[ . 1 . 2]" 4
109 1 109 VAL O 1 113 LEU H 1.900 . 2.000 1.833 1.747 2.029 0.053 16 0 "[ . 1 . 2]" 4
110 1 109 VAL O 1 113 LEU N 2.850 2.700 3.000 2.754 2.682 2.909 0.018 11 0 "[ . 1 . 2]" 4
111 1 110 ALA O 1 114 LYS H 1.900 . 2.000 1.862 1.759 2.218 0.218 18 0 "[ . 1 . 2]" 4
112 1 110 ALA O 1 114 LYS N 2.850 2.700 3.000 2.796 2.725 3.155 0.155 18 0 "[ . 1 . 2]" 4
113 1 111 LYS O 1 115 SER H 1.900 . 2.000 2.009 1.837 2.206 0.206 18 0 "[ . 1 . 2]" 4
114 1 111 LYS O 1 115 SER N 2.850 2.700 3.000 2.864 2.738 3.044 0.044 18 0 "[ . 1 . 2]" 4
115 1 119 GLU O 1 123 GLU H 1.900 . 2.000 2.317 2.217 2.382 0.382 4 0 "[ . 1 . 2]" 4
116 1 119 GLU O 1 123 GLU N 2.850 2.700 3.000 3.268 3.134 3.326 0.326 19 0 "[ . 1 . 2]" 4
117 1 121 PHE O 1 125 LEU H 1.900 . 2.000 2.152 1.869 2.282 0.282 17 0 "[ . 1 . 2]" 4
118 1 121 PHE O 1 125 LEU N 2.850 2.700 3.000 3.028 2.748 3.150 0.150 7 0 "[ . 1 . 2]" 4
119 1 122 ILE O 1 126 ALA H 1.900 . 2.000 1.811 1.742 1.946 0.058 17 0 "[ . 1 . 2]" 4
120 1 122 ILE O 1 126 ALA N 2.850 2.700 3.000 2.790 2.716 2.931 . 0 0 "[ . 1 . 2]" 4
121 1 123 GLU O 1 127 GLU H 1.900 . 2.000 2.115 1.821 2.292 0.292 17 0 "[ . 1 . 2]" 4
122 1 123 GLU O 1 127 GLU N 2.850 2.700 3.000 3.061 2.772 3.246 0.246 17 0 "[ . 1 . 2]" 4
123 1 124 PRO O 1 128 THR H 1.900 . 2.000 1.893 1.738 2.213 0.213 7 0 "[ . 1 . 2]" 4
124 1 124 PRO O 1 128 THR N 2.850 2.700 3.000 2.818 2.700 3.121 0.121 7 0 "[ . 1 . 2]" 4
125 1 125 LEU O 1 129 ILE H 1.900 . 2.000 1.814 1.734 1.969 0.066 5 0 "[ . 1 . 2]" 4
126 1 125 LEU O 1 129 ILE N 2.850 2.700 3.000 2.787 2.700 2.950 0.000 19 0 "[ . 1 . 2]" 4
127 1 126 ALA O 1 130 THR H 1.900 . 2.000 2.132 1.929 2.232 0.232 11 0 "[ . 1 . 2]" 4
128 1 126 ALA O 1 130 THR N 2.850 2.700 3.000 3.094 2.900 3.192 0.192 11 0 "[ . 1 . 2]" 4
129 1 127 GLU O 1 131 ASP H 1.900 . 2.000 1.904 1.764 2.246 0.246 7 0 "[ . 1 . 2]" 4
130 1 127 GLU O 1 131 ASP N 2.850 2.700 3.000 2.866 2.731 3.225 0.225 7 0 "[ . 1 . 2]" 4
131 1 128 THR O 1 132 VAL H 1.900 . 2.000 1.855 1.784 2.023 0.023 5 0 "[ . 1 . 2]" 4
132 1 128 THR O 1 132 VAL N 2.850 2.700 3.000 2.833 2.756 3.005 0.005 5 0 "[ . 1 . 2]" 4
133 1 129 ILE O 1 133 LEU H 1.900 . 2.000 1.831 1.734 2.019 0.066 6 0 "[ . 1 . 2]" 4
134 1 129 ILE O 1 133 LEU N 2.850 2.700 3.000 2.743 2.683 2.908 0.017 3 0 "[ . 1 . 2]" 4
135 1 130 THR O 1 134 VAL H 1.900 . 2.000 1.934 1.788 2.272 0.272 2 0 "[ . 1 . 2]" 4
136 1 130 THR O 1 134 VAL N 2.850 2.700 3.000 2.877 2.761 3.179 0.179 2 0 "[ . 1 . 2]" 4
137 1 131 ASP O 1 135 ARG H 1.900 . 2.000 1.871 1.747 2.127 0.127 14 0 "[ . 1 . 2]" 4
138 1 131 ASP O 1 135 ARG N 2.850 2.700 3.000 2.808 2.663 3.032 0.037 20 0 "[ . 1 . 2]" 4
139 1 132 VAL O 1 136 THR H 1.900 . 2.000 2.084 1.875 2.297 0.297 20 0 "[ . 1 . 2]" 4
140 1 132 VAL O 1 136 THR N 2.850 2.700 3.000 2.968 2.779 3.156 0.156 1 0 "[ . 1 . 2]" 4
141 1 138 ARG O 1 142 VAL H 1.900 . 2.000 2.074 1.784 2.261 0.261 17 0 "[ . 1 . 2]" 4
142 1 138 ARG O 1 142 VAL N 2.850 2.700 3.000 3.023 2.764 3.221 0.221 17 0 "[ . 1 . 2]" 4
143 1 139 ASP O 1 143 LYS H 1.900 . 2.000 2.096 1.811 2.314 0.314 5 0 "[ . 1 . 2]" 4
144 1 139 ASP O 1 143 LYS N 2.850 2.700 3.000 3.016 2.764 3.220 0.220 6 0 "[ . 1 . 2]" 4
145 1 146 GLY O 1 150 PHE H 1.900 . 2.000 2.115 1.818 2.350 0.350 11 0 "[ . 1 . 2]" 4
146 1 146 GLY O 1 150 PHE N 2.850 2.700 3.000 3.025 2.745 3.293 0.293 11 0 "[ . 1 . 2]" 4
147 1 147 TRP O 1 151 VAL H 1.900 . 2.000 1.952 1.812 2.168 0.168 6 0 "[ . 1 . 2]" 4
148 1 147 TRP O 1 151 VAL N 2.850 2.700 3.000 2.916 2.788 3.107 0.107 6 0 "[ . 1 . 2]" 4
149 1 148 ASP O 1 152 GLU H 1.900 . 2.000 2.133 1.859 2.304 0.304 10 0 "[ . 1 . 2]" 4
150 1 148 ASP O 1 152 GLU N 2.850 2.700 3.000 3.044 2.840 3.274 0.274 10 0 "[ . 1 . 2]" 4
151 1 149 GLY O 1 153 PHE H 1.900 . 2.000 1.961 1.768 2.275 0.275 10 0 "[ . 1 . 2]" 4
152 1 149 GLY O 1 153 PHE N 2.850 2.700 3.000 2.907 2.736 3.170 0.170 10 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 36
_Distance_constraint_stats_list.Viol_count 331
_Distance_constraint_stats_list.Viol_total 659.782
_Distance_constraint_stats_list.Viol_max 0.353
_Distance_constraint_stats_list.Viol_rms 0.0773
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0458
_Distance_constraint_stats_list.Viol_average_violations_only 0.0997
_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
2 3 GLU 1.684 0.251 18 0 "[ . 1 . 2]"
2 4 TRP 2.411 0.303 7 0 "[ . 1 . 2]"
2 5 ALA 0.684 0.268 18 0 "[ . 1 . 2]"
2 6 ARG 1.297 0.232 11 0 "[ . 1 . 2]"
2 7 GLU 3.268 0.251 18 0 "[ . 1 . 2]"
2 8 ILE 3.423 0.303 7 0 "[ . 1 . 2]"
2 9 GLY 3.915 0.268 18 0 "[ . 1 . 2]"
2 10 ALA 1.773 0.232 11 0 "[ . 1 . 2]"
2 11 GLN 2.913 0.218 13 0 "[ . 1 . 2]"
2 12 LEU 2.292 0.229 8 0 "[ . 1 . 2]"
2 13 ARG 4.196 0.260 3 0 "[ . 1 . 2]"
2 14 ARG 4.601 0.339 1 0 "[ . 1 . 2]"
2 15 ILE 3.927 0.261 13 0 "[ . 1 . 2]"
2 16 ALA 1.650 0.206 4 0 "[ . 1 . 2]"
2 17 ASP 1.438 0.199 18 0 "[ . 1 . 2]"
2 18 ASP 10.029 0.353 5 0 "[ . 1 . 2]"
2 19 LEU 2.599 0.261 13 0 "[ . 1 . 2]"
2 20 ASN 1.161 0.203 2 0 "[ . 1 . 2]"
2 21 ALA 3.247 0.257 6 0 "[ . 1 . 2]"
2 22 GLN 5.904 0.353 5 0 "[ . 1 . 2]"
2 24 GLU 0.792 0.203 2 0 "[ . 1 . 2]"
2 25 ARG 2.774 0.257 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 3 GLU O 2 7 GLU H 1.900 . 2.000 1.978 1.739 2.251 0.251 18 0 "[ . 1 . 2]" 5
2 2 3 GLU O 2 7 GLU N 2.850 2.700 3.000 2.917 2.715 3.173 0.173 18 0 "[ . 1 . 2]" 5
3 2 4 TRP O 2 8 ILE H 1.900 . 2.000 2.006 1.773 2.303 0.303 7 0 "[ . 1 . 2]" 5
4 2 4 TRP O 2 8 ILE N 2.850 2.700 3.000 2.963 2.736 3.286 0.286 7 0 "[ . 1 . 2]" 5
5 2 5 ALA O 2 9 GLY H 1.900 . 2.000 1.906 1.759 2.268 0.268 18 0 "[ . 1 . 2]" 5
6 2 5 ALA O 2 9 GLY N 2.850 2.700 3.000 2.824 2.698 3.051 0.051 19 0 "[ . 1 . 2]" 5
7 2 6 ARG O 2 10 ALA H 1.900 . 2.000 1.963 1.773 2.232 0.232 11 0 "[ . 1 . 2]" 5
8 2 6 ARG O 2 10 ALA N 2.850 2.700 3.000 2.883 2.721 3.131 0.131 11 0 "[ . 1 . 2]" 5
9 2 7 GLU O 2 11 GLN H 1.900 . 2.000 1.986 1.746 2.218 0.218 13 0 "[ . 1 . 2]" 5
10 2 7 GLU O 2 11 GLN N 2.850 2.700 3.000 2.908 2.684 3.139 0.139 13 0 "[ . 1 . 2]" 5
11 2 8 ILE O 2 12 LEU H 1.900 . 2.000 1.910 1.757 2.229 0.229 8 0 "[ . 1 . 2]" 5
12 2 8 ILE O 2 12 LEU N 2.850 2.700 3.000 2.883 2.700 3.196 0.196 8 0 "[ . 1 . 2]" 5
13 2 9 GLY O 2 13 ARG H 1.900 . 2.000 2.072 1.793 2.260 0.260 3 0 "[ . 1 . 2]" 5
14 2 9 GLY O 2 13 ARG N 2.850 2.700 3.000 2.966 2.692 3.165 0.165 14 0 "[ . 1 . 2]" 5
15 2 10 ALA O 2 14 ARG H 1.900 . 2.000 1.895 1.726 2.103 0.103 18 0 "[ . 1 . 2]" 5
16 2 10 ALA O 2 14 ARG N 2.850 2.700 3.000 2.820 2.695 3.033 0.033 12 0 "[ . 1 . 2]" 5
17 2 11 GLN O 2 15 ILE H 1.900 . 2.000 1.985 1.814 2.199 0.199 17 0 "[ . 1 . 2]" 5
18 2 11 GLN O 2 15 ILE N 2.850 2.700 3.000 2.957 2.792 3.168 0.168 2 0 "[ . 1 . 2]" 5
19 2 12 LEU O 2 16 ALA H 1.900 . 2.000 1.989 1.714 2.206 0.206 4 0 "[ . 1 . 2]" 5
20 2 12 LEU O 2 16 ALA N 2.850 2.700 3.000 2.928 2.684 3.099 0.099 4 0 "[ . 1 . 2]" 5
21 2 13 ARG O 2 17 ASP H 1.900 . 2.000 1.763 1.713 1.830 0.087 4 0 "[ . 1 . 2]" 5
22 2 13 ARG O 2 17 ASP N 2.850 2.700 3.000 2.714 2.659 2.801 0.041 6 0 "[ . 1 . 2]" 5
23 2 14 ARG O 2 18 ASP H 1.900 . 2.000 2.082 1.749 2.339 0.339 1 0 "[ . 1 . 2]" 5
24 2 14 ARG O 2 18 ASP N 2.850 2.700 3.000 3.041 2.697 3.323 0.323 1 0 "[ . 1 . 2]" 5
25 2 15 ILE O 2 19 LEU H 1.900 . 2.000 2.026 1.797 2.261 0.261 13 0 "[ . 1 . 2]" 5
26 2 15 ILE O 2 19 LEU N 2.850 2.700 3.000 2.950 2.770 3.178 0.178 6 0 "[ . 1 . 2]" 5
27 2 16 ALA O 2 20 ASN H 1.900 . 2.000 1.844 1.715 2.036 0.085 13 0 "[ . 1 . 2]" 5
28 2 16 ALA O 2 20 ASN N 2.850 2.700 3.000 2.809 2.695 2.951 0.005 11 0 "[ . 1 . 2]" 5
29 2 17 ASP O 2 21 ALA H 1.900 . 2.000 1.856 1.762 2.199 0.199 18 0 "[ . 1 . 2]" 5
30 2 17 ASP O 2 21 ALA N 2.850 2.700 3.000 2.791 2.692 3.126 0.126 18 0 "[ . 1 . 2]" 5
31 2 18 ASP O 2 22 GLN H 1.900 . 2.000 2.185 1.827 2.353 0.353 5 0 "[ . 1 . 2]" 5
32 2 18 ASP O 2 22 GLN N 2.850 2.700 3.000 3.067 2.814 3.253 0.253 13 0 "[ . 1 . 2]" 5
33 2 20 ASN O 2 24 GLU H 1.900 . 2.000 1.879 1.714 2.203 0.203 2 0 "[ . 1 . 2]" 5
34 2 20 ASN O 2 24 GLU N 2.850 2.700 3.000 2.814 2.625 3.073 0.075 15 0 "[ . 1 . 2]" 5
35 2 21 ALA O 2 25 ARG H 1.900 . 2.000 2.040 1.747 2.257 0.257 6 0 "[ . 1 . 2]" 5
36 2 21 ALA O 2 25 ARG N 2.850 2.700 3.000 2.923 2.689 3.155 0.155 6 0 "[ . 1 . 2]" 5
stop_
save_
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