NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482100 |
1jsa   |
5332 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jsa
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 798
_Distance_constraint_stats_list.Viol_count 5242
_Distance_constraint_stats_list.Viol_total 338147.188
_Distance_constraint_stats_list.Viol_max 14.539
_Distance_constraint_stats_list.Viol_rms 1.8069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7357
_Distance_constraint_stats_list.Viol_average_violations_only 2.6878
_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 7 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 8 LEU 19.590 1.112 23 19 "[****.*********** -*2 *+ ]"
1 9 SER 202.674 6.863 19 24 [*****************-+*****]
1 10 LYS 94.682 5.536 10 24 [******-**+**************]
1 11 GLU 0.701 0.229 12 0 "[ . 1 . 2 ]"
1 12 ILE 8.687 0.690 4 2 "[ +. - 1 . 2 ]"
1 13 LEU 472.728 6.410 1 24 [+*************-*********]
1 14 GLU 79.240 2.856 12 24 [***-*******+************]
1 15 GLU 2.895 0.227 17 0 "[ . 1 . 2 ]"
1 16 LEU 17.873 1.168 18 16 "[* ******1*** - *+** * ]"
1 17 GLN 85.342 2.856 12 24 [***********+*****-******]
1 18 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 ASN 0.223 0.137 4 0 "[ . 1 . 2 ]"
1 20 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 LYS 4.010 1.094 15 3 "[ . 1 *+ - ]"
1 22 PHE 28.511 2.130 24 24 [****-******************+]
1 23 THR 26.849 2.238 3 20 "[**+ *** *1****-***** ***]"
1 24 GLU 1.739 0.392 10 0 "[ . 1 . 2 ]"
1 25 GLU 120.940 5.536 10 24 [****-****+**************]
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 LEU 28.047 2.238 3 20 "[**+ *** *1*******-** ***]"
1 28 SER 4.749 0.983 7 4 "[ * + 1 -*. 2 ]"
1 29 SER 3.741 0.747 19 2 "[ . 1 . -+2 ]"
1 30 TRP 0.328 0.052 12 0 "[ . 1 . 2 ]"
1 31 TYR 32.548 1.880 6 23 "[*** *+*******-**********]"
1 32 GLN 5.668 2.047 4 4 "[- +. 1 * . * 2 ]"
1 33 SER 20.743 0.784 11 24 [********-*+*************]
1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 LEU 48.579 1.880 6 24 [*****+**-***************]
1 36 LYS 605.092 10.387 10 24 [********-+**************]
1 37 GLU 120.286 6.436 9 24 [********+**********-****]
1 38 CYS 45.517 1.479 18 24 [*****************+***-**]
1 39 PRO 8.065 0.992 8 7 "[ * . *+ * .* - 2 *]"
1 40 SER 302.754 6.436 9 24 [-*******+***************]
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 ARG 399.189 10.387 10 24 [*********+***********-**]
1 43 ILE 112.687 4.260 4 24 [***+*****-**************]
1 44 THR 733.086 8.370 13 24 [************+***********]
1 45 ARG 139.180 4.109 19 24 [-*****************+*****]
1 46 GLN 255.119 7.263 17 24 [******-*********+*******]
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 PHE 13.394 1.216 18 12 "[*** * * - .**+** * ]"
1 49 GLN 266.457 5.462 7 24 [******+*****-***********]
1 50 THR 284.952 6.034 21 24 [**********-*********+***]
1 51 ILE 15.079 1.216 18 12 "[*** * * - .**+** * ]"
1 52 TYR 349.068 6.688 22 24 [*****-***************+**]
1 53 SER 418.311 14.539 22 24 [*********************+**]
1 54 LYS 0.400 0.225 18 0 "[ . 1 . 2 ]"
1 55 PHE 7.330 1.079 19 6 "[ * .- 1* . +2 **]"
1 56 PHE 7.043 1.079 19 6 "[ * .- 1* . +2 **]"
1 57 PRO 103.731 4.368 21 24 [********************+-**]
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 ALA 17.007 0.945 18 22 "[*****************+*- **]"
1 60 ASP 356.424 4.368 21 24 [*******************-+***]
1 61 PRO 50.356 2.922 4 23 [***+*****-****.*********]
1 62 LYS 341.449 7.701 5 24 [****+****-**************]
1 63 ALA 254.121 6.154 18 24 [-****************+******]
1 64 TYR 37.658 2.110 5 24 [*-**+*******************]
1 65 ALA 353.571 6.974 5 24 [****+**************-****]
1 66 GLN 276.090 6.321 21 24 [-*******************+***]
1 67 HIS 127.527 6.885 8 24 [*****-*+****************]
1 68 VAL 492.166 8.278 19 24 [******-***********+*****]
1 69 PHE 336.069 8.167 4 24 [***+******-*************]
1 70 ARG 627.392 8.711 14 24 [****-********+**********]
1 71 SER 101.730 3.957 19 24 [***********-******+*****]
1 72 PHE 327.163 7.765 22 24 [******-**************+**]
1 73 ASP 6.485 2.871 8 3 "[ . *+ 1 . - 2 ]"
1 74 ALA 5.368 0.540 21 2 "[ . 1 - . 2+ ]"
1 75 ASN 85.202 3.957 19 24 [******************+*****]
1 76 SER 3.317 1.037 9 3 "[ . * +1 . -2 ]"
1 77 ASP 0.171 0.110 9 0 "[ . 1 . 2 ]"
1 78 GLY 0.171 0.110 9 0 "[ . 1 . 2 ]"
1 79 THR 36.723 1.616 12 24 [**-********+************]
1 80 LEU 293.676 7.013 21 24 [-*******************+***]
1 81 ASP 450.729 8.711 14 24 [*******-*****+**********]
1 82 PHE 95.388 4.260 4 24 [***+*****-**************]
1 83 LYS 1.893 0.415 17 0 "[ . 1 . 2 ]"
1 84 GLU 451.252 6.863 19 24 [**************-***+*****]
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 VAL 330.446 8.370 13 24 [****-*******+***********]
1 87 ILE 148.741 4.805 4 24 [***+************-*******]
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 89 LEU 8.184 0.768 23 6 "[ * *- 1 .* * 2 + ]"
1 90 HIS 541.335 14.539 22 24 [*********************+-*]
1 91 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 92 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 93 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 102 GLU 59.990 2.627 14 24 [*************+*********-]
1 103 TRP 8.834 0.752 20 4 "[ . * 1 . * + -]"
1 104 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 105 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 106 SER 8.834 0.752 20 4 "[ . * 1 . * + -]"
1 107 LEU 82.998 2.579 11 24 [*****-****+*************]
1 108 TYR 873.073 8.167 4 24 [***+**-*****************]
1 109 ASP 59.488 3.336 3 24 [**+****************-****]
1 110 VAL 384.800 7.482 7 24 [***-**+*****************]
1 111 ASP 95.306 3.787 15 24 [***-**********+*********]
1 112 GLY 0.715 0.423 7 0 "[ . 1 . 2 ]"
1 113 ASN 9.024 1.215 7 10 "[ .*+ ** * . * ** -*]"
1 114 GLY 8.421 1.215 7 10 "[ .*+ ** * . * ** -*]"
1 115 THR 31.943 1.498 23 24 [*******************-**+*]
1 116 ILE 564.180 6.058 3 24 [**+***************-*****]
1 117 SER 512.636 7.482 7 24 [******+**************-**]
1 118 LYS 360.689 8.750 2 24 [*+***********-**********]
1 119 ASN 15.285 0.679 24 24 [*************-*********+]
1 120 GLU 0.959 0.143 24 0 "[ . 1 . 2 ]"
1 121 VAL 239.650 5.702 10 24 [-********+**************]
1 122 LEU 0.040 0.033 6 0 "[ . 1 . 2 ]"
1 123 GLU 1.022 0.143 24 0 "[ . 1 . 2 ]"
1 124 ILE 12.370 1.559 5 8 "[- +* 1 * . ***2 *]"
1 125 VAL 238.082 8.278 19 24 [******************+-****]
1 126 THR 628.940 8.599 1 24 [+******************-****]
1 127 ALA 268.193 7.040 7 24 [******+*********-*******]
1 128 ILE 542.433 7.568 19 24 [-*****************+*****]
1 129 PHE 504.029 9.662 19 24 [******************+-****]
1 130 LYS 1319.450 8.739 14 24 [*************+**-*******]
1 131 MET 18.031 1.547 1 18 "[+** .*** *****.** -****]"
1 132 ILE 637.048 7.701 5 24 [****+*-*****************]
1 133 SER 112.169 3.053 20 24 [*********-*********+****]
1 134 PRO 30.019 2.012 23 19 "[*** . ********** **-* +*]"
1 135 GLU 5.699 0.542 9 4 "[ . +1 * . * - ]"
1 136 ASP 0.988 0.489 17 0 "[ . 1 . 2 ]"
1 137 THR 0.522 0.073 17 0 "[ . 1 . 2 ]"
1 138 LYS 539.494 8.739 14 24 [*************+-*********]
1 139 HIS 1.403 0.097 15 0 "[ . 1 . 2 ]"
1 140 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 141 PRO 607.833 8.258 10 24 [*********+****-*********]
1 142 GLU 7.226 0.667 5 8 "[* + ** 1* *-. 2 * ]"
1 143 ASP 83.170 4.646 13 23 "[************+-**** *****]"
1 144 GLU 1.581 0.086 3 0 "[ . 1 . 2 ]"
1 145 ASN 88.153 4.600 17 24 [*********-******+*******]
1 146 THR 377.287 7.770 9 24 [**-*****+***************]
1 147 PRO 184.721 4.823 12 24 [**-********+************]
1 148 GLU 896.757 7.731 13 24 [************+***-*******]
1 149 LYS 0.055 0.055 19 0 "[ . 1 . 2 ]"
1 150 ARG 55.529 4.823 12 23 [*********1*+*******-****]
1 151 ALA 171.353 4.600 17 24 [***-************+*******]
1 152 GLU 357.021 6.648 9 24 [********+********-******]
1 153 LYS 0.105 0.018 1 0 "[ . 1 . 2 ]"
1 154 ILE 49.000 1.273 14 24 [***-*********+**********]
1 155 TRP 734.561 12.376 6 24 [*****+********-*********]
1 156 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 157 PHE 39.627 2.620 7 24 [******+*******-*********]
1 158 PHE 190.174 4.856 6 24 [*****+************-*****]
1 159 GLY 9.670 0.909 19 10 "[ ** . * *- .* +* ** ]"
1 160 LYS 71.569 2.620 7 24 [******+**-**************]
1 161 LYS 875.433 11.270 20 24 [*********-*********+****]
1 162 ASP 77.554 4.080 12 24 [********-**+************]
1 163 ASP 0.058 0.058 13 0 "[ . 1 . 2 ]"
1 164 ASP 2.453 0.265 23 0 "[ . 1 . 2 ]"
1 165 LYS 497.133 5.186 7 24 [******+***-*************]
1 166 LEU 154.969 5.212 2 24 [*+****************-*****]
1 167 THR 970.898 11.270 20 24 [*************-*****+****]
1 168 GLU 392.586 5.382 2 24 [*+************-*********]
1 169 LYS 137.853 6.058 3 24 [**+***********-*********]
1 170 GLU 0.453 0.048 5 0 "[ . 1 . 2 ]"
1 171 PHE 25.461 1.498 23 24 [******************-***+*]
1 172 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 173 GLU 67.182 2.627 14 24 [******-******+**********]
1 174 GLY 25.044 1.498 23 24 [******************-***+*]
1 175 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 176 LEU 46.430 2.790 18 24 [***********-*****+******]
1 177 ALA 15.629 0.808 24 10 "[* *.*-* ** *. * +]"
1 178 ASN 8.120 0.756 24 7 "[* *.* - ** . 2 +]"
1 179 LYS 43.646 2.790 18 24 [***********-*****+******]
1 180 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 181 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 182 LEU 195.844 4.856 6 24 [*****+************-*****]
1 183 ARG 0.014 0.014 5 0 "[ . 1 . 2 ]"
1 184 LEU 59.208 3.126 13 23 "[******* *-**+***********]"
1 185 ILE 29.924 2.245 21 22 "[** ***************-*+ **]"
1 186 GLN 288.663 12.376 6 24 [*****+************-*****]
1 187 PHE 77.614 3.126 13 23 "[******* ****+********-**]"
1 188 GLU 345.406 9.250 12 24 [*-*********+************]
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 SER H 1 9 SER HG 0.000 . 2.900 4.463 2.605 5.073 2.173 23 23 "[**************** *****+-]" 1
2 1 10 LYS H 1 10 LYS QB 0.000 . 3.500 2.442 2.057 2.940 . 0 0 "[ . 1 . 2 ]" 1
3 1 12 ILE H 1 12 ILE HB 0.000 . 4.100 2.654 2.472 2.951 . 0 0 "[ . 1 . 2 ]" 1
4 1 14 GLU H 1 14 GLU HA 0.000 . 2.900 2.803 2.791 2.823 . 0 0 "[ . 1 . 2 ]" 1
5 1 14 GLU H 1 14 GLU QB 0.000 . 3.500 2.190 2.066 2.278 . 0 0 "[ . 1 . 2 ]" 1
6 1 15 GLU H 1 15 GLU HA 0.000 . 2.900 2.939 2.895 2.958 0.058 3 0 "[ . 1 . 2 ]" 1
7 1 15 GLU H 1 15 GLU QB 0.000 . 3.500 2.384 2.157 2.516 . 0 0 "[ . 1 . 2 ]" 1
8 1 19 ASN HA 1 19 ASN QD 0.000 . 4.400 3.175 1.861 4.462 0.062 10 0 "[ . 1 . 2 ]" 1
9 1 19 ASN H 1 19 ASN QD 0.000 . 5.200 4.104 1.930 5.337 0.137 4 0 "[ . 1 . 2 ]" 1
10 1 25 GLU H 1 25 GLU QB 0.000 . 3.500 2.265 2.055 2.585 . 0 0 "[ . 1 . 2 ]" 1
11 1 28 SER H 1 28 SER HA 0.000 . 2.900 2.912 2.795 2.947 0.047 19 0 "[ . 1 . 2 ]" 1
12 1 28 SER H 1 28 SER HG 0.000 . 3.500 3.289 1.849 4.483 0.983 7 4 "[ * + 1 -*. 2 ]" 1
13 1 29 SER H 1 29 SER HA 0.000 . 2.900 2.884 2.747 2.947 0.047 3 0 "[ . 1 . 2 ]" 1
14 1 30 TRP H 1 30 TRP HA 0.000 . 2.900 2.870 2.759 2.952 0.052 12 0 "[ . 1 . 2 ]" 1
15 1 30 TRP H 1 30 TRP QB 0.000 . 3.500 2.237 2.168 2.329 . 0 0 "[ . 1 . 2 ]" 1
16 1 31 TYR HA 1 31 TYR QD 0.000 . 3.300 2.686 2.202 3.671 0.371 6 0 "[ . 1 . 2 ]" 1
17 1 36 LYS H 1 36 LYS HA 0.000 . 2.900 2.921 2.856 2.945 0.045 3 0 "[ . 1 . 2 ]" 1
18 1 36 LYS HA 1 36 LYS QD 0.000 . 4.200 3.290 2.168 4.200 . 0 0 "[ . 1 . 2 ]" 1
19 1 37 GLU H 1 37 GLU HA 0.000 . 2.900 2.907 2.817 2.956 0.056 7 0 "[ . 1 . 2 ]" 1
20 1 37 GLU H 1 37 GLU QB 0.000 . 3.500 2.275 2.042 2.452 . 0 0 "[ . 1 . 2 ]" 1
21 1 38 CYS H 1 38 CYS HA 0.000 . 2.900 2.896 2.823 2.959 0.059 5 0 "[ . 1 . 2 ]" 1
22 1 38 CYS HA 1 38 CYS HG 0.000 . 4.300 3.411 2.525 4.376 0.076 12 0 "[ . 1 . 2 ]" 1
23 1 38 CYS H 1 38 CYS HG 0.000 . 3.900 4.794 3.866 5.379 1.479 18 19 "[*** ** * ** ****+***-**]" 1
24 1 43 ILE H 1 43 ILE HB 0.000 . 4.100 2.547 2.343 2.908 . 0 0 "[ . 1 . 2 ]" 1
25 1 45 ARG H 1 45 ARG QG 0.000 . 5.000 3.749 2.140 4.052 . 0 0 "[ . 1 . 2 ]" 1
26 1 48 PHE H 1 48 PHE QB 0.000 . 3.500 2.202 2.093 2.267 . 0 0 "[ . 1 . 2 ]" 1
27 1 50 THR H 1 50 THR HB 0.000 . 4.100 2.483 2.186 2.695 . 0 0 "[ . 1 . 2 ]" 1
28 1 51 ILE H 1 51 ILE HA 0.000 . 2.900 2.928 2.781 2.957 0.057 13 0 "[ . 1 . 2 ]" 1
29 1 51 ILE H 1 51 ILE HB 0.000 . 2.900 2.456 2.183 2.603 . 0 0 "[ . 1 . 2 ]" 1
30 1 53 SER H 1 53 SER QB 0.000 . 3.500 2.450 2.228 2.846 . 0 0 "[ . 1 . 2 ]" 1
31 1 55 PHE H 1 55 PHE HA 0.000 . 2.900 2.938 2.765 2.986 0.086 17 0 "[ . 1 . 2 ]" 1
32 1 55 PHE H 1 55 PHE QB 0.000 . 3.500 2.425 2.157 2.783 . 0 0 "[ . 1 . 2 ]" 1
33 1 56 PHE H 1 56 PHE HA 0.000 . 2.900 2.782 2.330 2.978 0.078 4 0 "[ . 1 . 2 ]" 1
34 1 56 PHE H 1 56 PHE QD 0.000 . 5.500 3.075 1.869 3.572 . 0 0 "[ . 1 . 2 ]" 1
35 1 60 ASP H 1 60 ASP HA 0.000 . 2.900 2.973 2.929 2.994 0.094 18 0 "[ . 1 . 2 ]" 1
36 1 63 ALA H 1 63 ALA HA 0.000 . 2.900 2.907 2.821 2.953 0.053 6 0 "[ . 1 . 2 ]" 1
37 1 63 ALA H 1 63 ALA MB 0.000 . 3.500 2.237 2.179 2.286 . 0 0 "[ . 1 . 2 ]" 1
38 1 68 VAL H 1 68 VAL HB 0.000 . 4.100 2.306 2.179 2.500 . 0 0 "[ . 1 . 2 ]" 1
39 1 70 ARG H 1 70 ARG HA 0.000 . 2.900 2.778 2.763 2.806 . 0 0 "[ . 1 . 2 ]" 1
40 1 70 ARG H 1 70 ARG QB 0.000 . 3.500 2.270 2.085 2.666 . 0 0 "[ . 1 . 2 ]" 1
41 1 75 ASN H 1 75 ASN HA 0.000 . 2.900 2.938 2.880 3.004 0.104 21 0 "[ . 1 . 2 ]" 1
42 1 84 GLU H 1 84 GLU QB 0.000 . 3.500 2.477 2.064 2.818 . 0 0 "[ . 1 . 2 ]" 1
43 1 86 VAL H 1 86 VAL HB 0.000 . 3.500 2.617 2.415 2.954 . 0 0 "[ . 1 . 2 ]" 1
44 1 87 ILE H 1 87 ILE HB 0.000 . 3.500 2.735 2.504 2.914 . 0 0 "[ . 1 . 2 ]" 1
45 1 87 ILE H 1 87 ILE QG 0.000 . 5.000 1.748 1.599 2.067 . 0 0 "[ . 1 . 2 ]" 1
46 1 90 HIS HA 1 90 HIS HD1 0.000 . 4.800 3.981 2.081 4.736 . 0 0 "[ . 1 . 2 ]" 1
47 1 90 HIS H 1 90 HIS HD1 0.000 . 5.000 4.335 2.484 5.234 0.234 22 0 "[ . 1 . 2 ]" 1
48 1 92 THR H 1 92 THR HB 0.000 . 4.100 2.744 2.262 3.551 . 0 0 "[ . 1 . 2 ]" 1
49 1 107 LEU H 1 107 LEU HA 0.000 . 2.900 2.860 2.802 2.930 0.030 17 0 "[ . 1 . 2 ]" 1
50 1 108 TYR H 1 108 TYR QD 0.000 . 5.000 2.800 1.844 3.865 . 0 0 "[ . 1 . 2 ]" 1
51 1 110 VAL H 1 110 VAL HB 0.000 . 3.500 2.732 2.507 2.923 . 0 0 "[ . 1 . 2 ]" 1
52 1 118 LYS H 1 118 LYS HA 0.000 . 2.900 2.830 2.745 2.907 0.007 23 0 "[ . 1 . 2 ]" 1
53 1 122 LEU H 1 122 LEU HG 0.000 . 4.600 3.715 2.924 4.633 0.033 6 0 "[ . 1 . 2 ]" 1
54 1 123 GLU H 1 123 GLU HA 0.000 . 2.900 2.864 2.787 2.922 0.022 12 0 "[ . 1 . 2 ]" 1
55 1 123 GLU H 1 123 GLU QB 0.000 . 3.500 2.370 2.058 2.787 . 0 0 "[ . 1 . 2 ]" 1
56 1 124 ILE H 1 124 ILE HA 0.000 . 2.900 2.809 2.772 2.865 . 0 0 "[ . 1 . 2 ]" 1
57 1 124 ILE H 1 124 ILE HB 0.000 . 3.500 2.663 2.183 3.045 . 0 0 "[ . 1 . 2 ]" 1
58 1 125 VAL H 1 125 VAL HB 0.000 . 3.500 2.389 2.235 2.617 . 0 0 "[ . 1 . 2 ]" 1
59 1 126 THR H 1 126 THR HB 0.000 . 3.500 2.530 2.216 2.933 . 0 0 "[ . 1 . 2 ]" 1
60 1 128 ILE H 1 128 ILE HB 0.000 . 4.000 2.415 2.258 2.608 . 0 0 "[ . 1 . 2 ]" 1
61 1 130 LYS H 1 130 LYS QB 0.000 . 3.500 2.381 2.059 2.724 . 0 0 "[ . 1 . 2 ]" 1
62 1 132 ILE H 1 132 ILE HA 0.000 . 2.900 2.922 2.783 2.977 0.077 18 0 "[ . 1 . 2 ]" 1
63 1 132 ILE H 1 132 ILE HB 0.000 . 3.500 2.496 2.203 2.667 . 0 0 "[ . 1 . 2 ]" 1
64 1 133 SER H 1 133 SER HA 0.000 . 2.900 2.881 2.768 2.978 0.078 23 0 "[ . 1 . 2 ]" 1
65 1 137 THR H 1 137 THR HA 0.000 . 2.900 2.849 2.779 2.940 0.040 6 0 "[ . 1 . 2 ]" 1
66 1 137 THR H 1 137 THR HB 0.000 . 3.500 2.744 2.142 3.005 . 0 0 "[ . 1 . 2 ]" 1
67 1 138 LYS H 1 138 LYS QG 0.000 . 4.400 3.302 1.981 4.063 . 0 0 "[ . 1 . 2 ]" 1
68 1 139 HIS H 1 139 HIS HA 0.000 . 2.900 2.952 2.798 2.997 0.097 15 0 "[ . 1 . 2 ]" 1
69 1 139 HIS H 1 139 HIS QB 0.000 . 3.500 2.413 2.051 2.865 . 0 0 "[ . 1 . 2 ]" 1
70 1 141 PRO HA 1 141 PRO QD 0.000 . 4.200 3.323 3.212 3.414 . 0 0 "[ . 1 . 2 ]" 1
71 1 144 GLU H 1 144 GLU HA 0.000 . 2.900 2.934 2.835 2.986 0.086 3 0 "[ . 1 . 2 ]" 1
72 1 151 ALA H 1 151 ALA HA 0.000 . 2.900 2.783 2.764 2.804 . 0 0 "[ . 1 . 2 ]" 1
73 1 151 ALA H 1 151 ALA MB 0.000 . 3.500 2.239 2.141 2.267 . 0 0 "[ . 1 . 2 ]" 1
74 1 153 LYS H 1 153 LYS HA 0.000 . 2.900 2.888 2.847 2.918 0.018 1 0 "[ . 1 . 2 ]" 1
75 1 153 LYS H 1 153 LYS QB 0.000 . 3.500 2.222 2.042 2.583 . 0 0 "[ . 1 . 2 ]" 1
76 1 153 LYS H 1 153 LYS QG 0.000 . 4.500 3.497 1.816 4.068 . 0 0 "[ . 1 . 2 ]" 1
77 1 154 ILE H 1 154 ILE HA 0.000 . 2.900 2.863 2.792 2.938 0.038 9 0 "[ . 1 . 2 ]" 1
78 1 155 TRP H 1 155 TRP HD1 0.000 . 6.500 5.045 2.361 5.307 . 0 0 "[ . 1 . 2 ]" 1
79 1 158 PHE H 1 158 PHE QB 0.000 . 3.500 2.423 2.216 2.765 . 0 0 "[ . 1 . 2 ]" 1
80 1 161 LYS HA 1 161 LYS QD 0.000 . 4.300 3.084 2.136 4.421 0.121 5 0 "[ . 1 . 2 ]" 1
81 1 161 LYS H 1 161 LYS QE 0.000 . 6.000 5.209 3.647 6.586 0.586 23 2 "[ . - . 2 + ]" 1
82 1 161 LYS H 1 161 LYS QG 0.000 . 4.500 3.293 1.636 4.373 . 0 0 "[ . 1 . 2 ]" 1
83 1 166 LEU H 1 166 LEU QB 0.000 . 3.500 2.262 2.110 2.398 . 0 0 "[ . 1 . 2 ]" 1
84 1 167 THR H 1 167 THR HB 0.000 . 4.100 3.322 2.607 3.832 . 0 0 "[ . 1 . 2 ]" 1
85 1 168 GLU H 1 168 GLU QG 0.000 . 4.400 2.582 1.658 4.011 . 0 0 "[ . 1 . 2 ]" 1
86 1 170 GLU H 1 170 GLU HA 0.000 . 2.900 2.907 2.807 2.948 0.048 5 0 "[ . 1 . 2 ]" 1
87 1 170 GLU H 1 170 GLU QB 0.000 . 3.500 2.509 2.156 2.922 . 0 0 "[ . 1 . 2 ]" 1
88 1 171 PHE H 1 171 PHE HA 0.000 . 2.900 2.780 2.764 2.799 . 0 0 "[ . 1 . 2 ]" 1
89 1 171 PHE H 1 171 PHE QB 0.000 . 3.500 2.267 2.208 2.299 . 0 0 "[ . 1 . 2 ]" 1
90 1 172 ILE H 1 172 ILE HB 0.000 . 3.500 2.474 2.362 2.531 . 0 0 "[ . 1 . 2 ]" 1
91 1 173 GLU H 1 173 GLU QG 0.000 . 5.000 2.044 1.649 2.395 . 0 0 "[ . 1 . 2 ]" 1
92 1 177 ALA H 1 177 ALA HA 0.000 . 2.900 2.868 2.735 2.964 0.064 12 0 "[ . 1 . 2 ]" 1
93 1 177 ALA H 1 177 ALA MB 0.000 . 3.500 2.217 2.076 2.288 . 0 0 "[ . 1 . 2 ]" 1
94 1 183 ARG H 1 183 ARG QD 0.000 . 5.200 4.194 3.382 4.909 . 0 0 "[ . 1 . 2 ]" 1
95 1 184 LEU H 1 184 LEU HA 0.000 . 2.900 2.941 2.866 2.997 0.097 17 0 "[ . 1 . 2 ]" 1
96 1 185 ILE H 1 185 ILE MD 0.000 . 4.600 3.955 3.432 4.417 . 0 0 "[ . 1 . 2 ]" 1
97 1 186 GLN H 1 186 GLN QG 0.000 . 4.500 3.486 1.919 4.058 . 0 0 "[ . 1 . 2 ]" 1
98 1 187 PHE H 1 187 PHE HA 0.000 . 2.900 2.858 2.362 2.997 0.097 12 0 "[ . 1 . 2 ]" 1
99 1 187 PHE H 1 187 PHE QB 0.000 . 3.500 2.815 2.366 3.280 . 0 0 "[ . 1 . 2 ]" 1
100 1 7 ALA HA 1 8 LEU HA 0.000 . 6.000 4.805 4.368 5.358 . 0 0 "[ . 1 . 2 ]" 1
101 1 7 ALA HA 1 8 LEU QB 0.000 . 7.500 4.851 4.254 5.277 . 0 0 "[ . 1 . 2 ]" 1
102 1 8 LEU HA 1 9 SER H 0.000 . 3.500 2.752 2.111 3.479 . 0 0 "[ . 1 . 2 ]" 1
103 1 8 LEU QB 1 9 SER HA 0.000 . 6.500 3.929 3.561 4.361 . 0 0 "[ . 1 . 2 ]" 1
104 1 8 LEU QB 1 9 SER H 0.000 . 4.400 2.237 1.554 3.392 . 0 0 "[ . 1 . 2 ]" 1
105 1 8 LEU H 1 9 SER H 0.000 . 3.500 4.288 2.822 4.612 1.112 23 19 "[****.*********** -*2 *+ ]" 1
106 1 9 SER HA 1 10 LYS H 0.000 . 3.500 3.532 3.380 3.596 0.096 8 0 "[ . 1 . 2 ]" 1
107 1 9 SER H 1 10 LYS H 0.000 . 5.000 3.411 2.071 4.359 . 0 0 "[ . 1 . 2 ]" 1
108 1 10 LYS QB 1 11 GLU QB 0.000 . 7.000 4.265 3.639 4.801 . 0 0 "[ . 1 . 2 ]" 1
109 1 10 LYS H 1 11 GLU H 0.000 . 5.000 2.583 2.192 3.031 . 0 0 "[ . 1 . 2 ]" 1
110 1 11 GLU HA 1 12 ILE HB 0.000 . 6.000 5.964 5.785 6.229 0.229 12 0 "[ . 1 . 2 ]" 1
111 1 11 GLU QB 1 12 ILE H 0.000 . 4.500 2.608 1.995 3.078 . 0 0 "[ . 1 . 2 ]" 1
112 1 11 GLU H 1 12 ILE H 0.000 . 5.000 2.369 2.181 2.672 . 0 0 "[ . 1 . 2 ]" 1
113 1 12 ILE HA 1 13 LEU H 0.000 . 3.500 3.564 3.377 3.607 0.107 20 0 "[ . 1 . 2 ]" 1
114 1 12 ILE HB 1 13 LEU QD 0.000 . 5.800 4.423 2.613 5.185 . 0 0 "[ . 1 . 2 ]" 1
115 1 12 ILE HB 1 13 LEU H 0.000 . 4.500 2.330 1.843 3.255 . 0 0 "[ . 1 . 2 ]" 1
116 1 12 ILE QG 1 13 LEU QD 0.000 . 7.500 4.215 3.338 4.889 . 0 0 "[ . 1 . 2 ]" 1
117 1 12 ILE H 1 13 LEU H 0.000 . 5.000 2.533 2.197 2.791 . 0 0 "[ . 1 . 2 ]" 1
118 1 13 LEU H 1 14 GLU H 0.000 . 3.500 2.687 2.033 2.849 . 0 0 "[ . 1 . 2 ]" 1
119 1 14 GLU HA 1 15 GLU H 0.000 . 3.500 3.386 3.341 3.460 . 0 0 "[ . 1 . 2 ]" 1
120 1 14 GLU QB 1 15 GLU H 0.000 . 4.500 2.977 2.724 3.089 . 0 0 "[ . 1 . 2 ]" 1
121 1 14 GLU H 1 15 GLU H 0.000 . 3.500 2.617 2.509 2.687 . 0 0 "[ . 1 . 2 ]" 1
122 1 15 GLU H 1 16 LEU H 0.000 . 2.900 2.400 2.318 2.529 . 0 0 "[ . 1 . 2 ]" 1
123 1 16 LEU QB 1 17 GLN H 0.000 . 4.500 3.424 2.528 3.662 . 0 0 "[ . 1 . 2 ]" 1
124 1 16 LEU HG 1 17 GLN H 0.000 . 6.000 2.397 1.529 3.150 . 0 0 "[ . 1 . 2 ]" 1
125 1 16 LEU H 1 17 GLN H 0.000 . 2.900 3.153 2.859 3.936 1.036 12 2 "[ . 1 + . - 2 ]" 1
126 1 17 GLN H 1 18 LEU H 0.000 . 5.000 2.769 2.301 3.124 . 0 0 "[ . 1 . 2 ]" 1
127 1 19 ASN HA 1 20 THR HA 0.000 . 6.000 4.490 4.335 5.183 . 0 0 "[ . 1 . 2 ]" 1
128 1 20 THR HA 1 21 LYS QG 0.000 . 6.500 4.489 2.962 6.000 . 0 0 "[ . 1 . 2 ]" 1
129 1 22 PHE QB 1 23 THR HA 0.000 . 6.000 4.667 4.097 5.478 . 0 0 "[ . 1 . 2 ]" 1
130 1 23 THR HA 1 24 GLU QG 0.000 . 6.500 3.971 3.157 5.705 . 0 0 "[ . 1 . 2 ]" 1
131 1 23 THR HA 1 24 GLU H 0.000 . 3.500 2.165 2.102 2.261 . 0 0 "[ . 1 . 2 ]" 1
132 1 23 THR HB 1 24 GLU H 0.000 . 6.000 4.019 3.635 4.351 . 0 0 "[ . 1 . 2 ]" 1
133 1 24 GLU QG 1 25 GLU H 0.000 . 6.500 2.335 1.721 4.024 . 0 0 "[ . 1 . 2 ]" 1
134 1 25 GLU H 1 26 GLU H 0.000 . 3.500 2.547 2.274 2.876 . 0 0 "[ . 1 . 2 ]" 1
135 1 26 GLU QB 1 27 LEU HA 0.000 . 6.000 3.938 3.692 4.312 . 0 0 "[ . 1 . 2 ]" 1
136 1 26 GLU QB 1 27 LEU H 0.000 . 4.500 2.431 2.019 3.242 . 0 0 "[ . 1 . 2 ]" 1
137 1 27 LEU HA 1 28 SER H 0.000 . 3.500 3.340 3.136 3.571 0.071 21 0 "[ . 1 . 2 ]" 1
138 1 27 LEU HG 1 28 SER H 0.000 . 6.000 4.700 2.648 5.383 . 0 0 "[ . 1 . 2 ]" 1
139 1 27 LEU H 1 28 SER H 0.000 . 3.500 2.799 2.395 3.273 . 0 0 "[ . 1 . 2 ]" 1
140 1 28 SER QB 1 29 SER H 0.000 . 6.000 2.395 1.694 3.156 . 0 0 "[ . 1 . 2 ]" 1
141 1 28 SER H 1 29 SER H 0.000 . 5.000 2.700 2.445 3.118 . 0 0 "[ . 1 . 2 ]" 1
142 1 29 SER HA 1 30 TRP H 0.000 . 5.000 3.399 3.173 3.564 . 0 0 "[ . 1 . 2 ]" 1
143 1 29 SER QB 1 30 TRP H 0.000 . 4.500 3.189 2.444 3.929 . 0 0 "[ . 1 . 2 ]" 1
144 1 29 SER H 1 30 TRP H 0.000 . 5.000 2.579 2.252 3.027 . 0 0 "[ . 1 . 2 ]" 1
145 1 30 TRP H 1 31 TYR H 0.000 . 5.000 2.623 2.323 3.081 . 0 0 "[ . 1 . 2 ]" 1
146 1 31 TYR QB 1 32 GLN QB 0.000 . 7.000 4.212 3.553 5.160 . 0 0 "[ . 1 . 2 ]" 1
147 1 31 TYR H 1 32 GLN H 0.000 . 5.000 2.690 2.248 2.967 . 0 0 "[ . 1 . 2 ]" 1
148 1 32 GLN QB 1 33 SER HA 0.000 . 6.000 3.893 3.614 4.383 . 0 0 "[ . 1 . 2 ]" 1
149 1 32 GLN H 1 33 SER QB 0.000 . 6.000 4.484 4.158 4.741 . 0 0 "[ . 1 . 2 ]" 1
150 1 32 GLN H 1 33 SER H 0.000 . 5.000 2.668 2.465 2.898 . 0 0 "[ . 1 . 2 ]" 1
151 1 33 SER HA 1 34 PHE H 0.000 . 5.000 3.450 3.365 3.515 . 0 0 "[ . 1 . 2 ]" 1
152 1 33 SER QB 1 34 PHE H 0.000 . 6.000 2.976 2.645 3.666 . 0 0 "[ . 1 . 2 ]" 1
153 1 33 SER H 1 34 PHE H 0.000 . 3.500 2.776 2.658 2.879 . 0 0 "[ . 1 . 2 ]" 1
154 1 34 PHE HA 1 35 LEU QB 0.000 . 6.000 5.269 5.229 5.297 . 0 0 "[ . 1 . 2 ]" 1
155 1 34 PHE H 1 35 LEU H 0.000 . 3.500 2.392 2.304 2.491 . 0 0 "[ . 1 . 2 ]" 1
156 1 35 LEU HA 1 36 LYS H 0.000 . 5.000 3.471 3.426 3.502 . 0 0 "[ . 1 . 2 ]" 1
157 1 35 LEU QB 1 36 LYS QD 0.000 . 7.500 4.592 2.518 6.141 . 0 0 "[ . 1 . 2 ]" 1
158 1 35 LEU QB 1 36 LYS H 0.000 . 6.000 2.839 2.728 2.924 . 0 0 "[ . 1 . 2 ]" 1
159 1 35 LEU QD 1 36 LYS QD 0.000 . 6.800 5.437 3.909 6.793 . 0 0 "[ . 1 . 2 ]" 1
160 1 35 LEU H 1 36 LYS H 0.000 . 2.900 2.599 2.512 2.684 . 0 0 "[ . 1 . 2 ]" 1
161 1 36 LYS HA 1 37 GLU H 0.000 . 5.000 3.522 3.459 3.561 . 0 0 "[ . 1 . 2 ]" 1
162 1 36 LYS QB 1 37 GLU HA 0.000 . 4.300 3.874 3.666 3.950 . 0 0 "[ . 1 . 2 ]" 1
163 1 36 LYS QD 1 37 GLU HA 0.000 . 6.500 5.896 4.560 6.333 . 0 0 "[ . 1 . 2 ]" 1
164 1 36 LYS H 1 37 GLU H 0.000 . 2.900 2.408 2.289 2.702 . 0 0 "[ . 1 . 2 ]" 1
165 1 37 GLU HA 1 38 CYS H 0.000 . 3.500 3.381 3.218 3.530 0.030 15 0 "[ . 1 . 2 ]" 1
166 1 37 GLU QB 1 38 CYS HA 0.000 . 4.300 4.570 4.275 5.202 0.902 1 2 "[+ . 1 . - ]" 1
167 1 37 GLU QB 1 38 CYS H 0.000 . 6.000 3.057 2.550 3.581 . 0 0 "[ . 1 . 2 ]" 1
168 1 37 GLU H 1 38 CYS H 0.000 . 3.500 2.468 2.250 2.769 . 0 0 "[ . 1 . 2 ]" 1
169 1 40 SER QB 1 41 GLY H 0.000 . 6.000 2.514 1.646 4.057 . 0 0 "[ . 1 . 2 ]" 1
170 1 41 GLY H 1 42 ARG H 0.000 . 5.000 2.410 1.500 3.541 . 0 0 "[ . 1 . 2 ]" 1
171 1 42 ARG H 1 43 ILE H 0.000 . 3.500 4.280 3.812 4.605 1.105 21 21 "[********** ***.****2+-**]" 1
172 1 43 ILE HA 1 44 THR H 0.000 . 2.900 2.191 2.134 2.385 . 0 0 "[ . 1 . 2 ]" 1
173 1 43 ILE HB 1 44 THR H 0.000 . 4.500 4.064 3.559 4.444 . 0 0 "[ . 1 . 2 ]" 1
174 1 44 THR HA 1 45 ARG H 0.000 . 3.500 2.468 2.268 2.576 . 0 0 "[ . 1 . 2 ]" 1
175 1 44 THR H 1 45 ARG H 0.000 . 5.000 4.547 4.457 4.633 . 0 0 "[ . 1 . 2 ]" 1
176 1 45 ARG HA 1 46 GLN H 0.000 . 3.500 3.487 3.359 3.573 0.073 5 0 "[ . 1 . 2 ]" 1
177 1 45 ARG QG 1 46 GLN H 0.000 . 6.500 3.562 1.902 4.499 . 0 0 "[ . 1 . 2 ]" 1
178 1 46 GLN QB 1 47 GLU H 0.000 . 6.000 2.635 1.845 3.621 . 0 0 "[ . 1 . 2 ]" 1
179 1 47 GLU QB 1 48 PHE H 0.000 . 6.000 2.795 2.538 3.168 . 0 0 "[ . 1 . 2 ]" 1
180 1 47 GLU H 1 48 PHE H 0.000 . 5.000 2.437 2.272 2.866 . 0 0 "[ . 1 . 2 ]" 1
181 1 48 PHE HA 1 49 GLN H 0.000 . 3.500 3.521 3.451 3.572 0.072 21 0 "[ . 1 . 2 ]" 1
182 1 48 PHE QB 1 49 GLN H 0.000 . 6.000 2.560 2.202 2.927 . 0 0 "[ . 1 . 2 ]" 1
183 1 48 PHE H 1 49 GLN H 0.000 . 5.000 2.881 2.741 3.027 . 0 0 "[ . 1 . 2 ]" 1
184 1 49 GLN HA 1 50 THR H 0.000 . 5.000 3.459 3.375 3.543 . 0 0 "[ . 1 . 2 ]" 1
185 1 49 GLN QB 1 50 THR H 0.000 . 6.000 3.111 2.618 3.738 . 0 0 "[ . 1 . 2 ]" 1
186 1 49 GLN H 1 50 THR H 0.000 . 3.500 2.626 2.374 2.850 . 0 0 "[ . 1 . 2 ]" 1
187 1 50 THR HA 1 51 ILE H 0.000 . 5.000 3.458 3.364 3.560 . 0 0 "[ . 1 . 2 ]" 1
188 1 50 THR HB 1 51 ILE H 0.000 . 6.000 2.973 1.915 3.462 . 0 0 "[ . 1 . 2 ]" 1
189 1 50 THR HG1 1 51 ILE H 0.000 . 4.500 3.542 2.872 3.990 . 0 0 "[ . 1 . 2 ]" 1
190 1 50 THR H 1 51 ILE H 0.000 . 3.500 2.569 2.308 3.129 . 0 0 "[ . 1 . 2 ]" 1
191 1 51 ILE HA 1 52 TYR H 0.000 . 3.500 3.531 3.357 3.573 0.073 6 0 "[ . 1 . 2 ]" 1
192 1 51 ILE HB 1 52 TYR QD 0.000 . 6.500 3.892 2.460 6.233 . 0 0 "[ . 1 . 2 ]" 1
193 1 51 ILE HB 1 52 TYR H 0.000 . 3.500 2.506 1.853 3.561 0.061 20 0 "[ . 1 . 2 ]" 1
194 1 51 ILE MG 1 52 TYR H 0.000 . 6.500 3.081 1.639 3.945 . 0 0 "[ . 1 . 2 ]" 1
195 1 51 ILE H 1 52 TYR H 0.000 . 3.500 2.565 2.280 3.008 . 0 0 "[ . 1 . 2 ]" 1
196 1 52 TYR H 1 53 SER H 0.000 . 3.500 2.711 2.312 3.053 . 0 0 "[ . 1 . 2 ]" 1
197 1 53 SER QB 1 54 LYS H 0.000 . 4.500 2.933 1.771 3.639 . 0 0 "[ . 1 . 2 ]" 1
198 1 53 SER H 1 54 LYS H 0.000 . 3.500 2.709 2.364 3.529 0.029 22 0 "[ . 1 . 2 ]" 1
199 1 54 LYS HA 1 55 PHE H 0.000 . 5.000 3.485 3.360 3.572 . 0 0 "[ . 1 . 2 ]" 1
200 1 54 LYS H 1 55 PHE H 0.000 . 3.500 2.634 2.270 3.060 . 0 0 "[ . 1 . 2 ]" 1
201 1 55 PHE HA 1 56 PHE H 0.000 . 5.000 3.168 2.347 3.551 . 0 0 "[ . 1 . 2 ]" 1
202 1 55 PHE H 1 56 PHE H 0.000 . 3.500 3.039 2.062 4.579 1.079 19 6 "[ * .- 1* . +2 **]" 1
203 1 58 GLU HA 1 59 ALA H 0.000 . 5.000 3.332 2.380 3.569 . 0 0 "[ . 1 . 2 ]" 1
204 1 59 ALA HA 1 60 ASP H 0.000 . 3.500 2.945 2.724 3.190 . 0 0 "[ . 1 . 2 ]" 1
205 1 59 ALA MB 1 60 ASP H 0.000 . 6.000 1.735 1.617 2.061 . 0 0 "[ . 1 . 2 ]" 1
206 1 59 ALA H 1 60 ASP H 0.000 . 3.500 4.209 3.847 4.445 0.945 18 22 "[*****************+*- **]" 1
207 1 60 ASP HA 1 61 PRO HA 0.000 . 6.000 4.655 4.584 4.712 . 0 0 "[ . 1 . 2 ]" 1
208 1 61 PRO HA 1 62 LYS HA 0.000 . 5.000 4.863 4.753 5.004 0.004 22 0 "[ . 1 . 2 ]" 1
209 1 61 PRO HA 1 62 LYS QD 0.000 . 4.300 6.307 4.096 7.222 2.922 4 23 [***+*****-****.*********] 1
210 1 61 PRO HA 1 62 LYS QG 0.000 . 6.000 5.144 4.114 6.366 0.366 20 0 "[ . 1 . 2 ]" 1
211 1 61 PRO QB 1 62 LYS QD 0.000 . 7.000 6.203 3.546 7.357 0.357 18 0 "[ . 1 . 2 ]" 1
212 1 62 LYS HA 1 63 ALA H 0.000 . 5.000 3.515 3.383 3.567 . 0 0 "[ . 1 . 2 ]" 1
213 1 62 LYS QG 1 63 ALA HA 0.000 . 6.000 4.757 3.066 5.775 . 0 0 "[ . 1 . 2 ]" 1
214 1 63 ALA HA 1 64 TYR H 0.000 . 5.000 3.484 3.417 3.565 . 0 0 "[ . 1 . 2 ]" 1
215 1 63 ALA MB 1 64 TYR HA 0.000 . 6.000 3.877 3.805 3.937 . 0 0 "[ . 1 . 2 ]" 1
216 1 63 ALA MB 1 64 TYR H 0.000 . 4.500 2.699 2.240 2.938 . 0 0 "[ . 1 . 2 ]" 1
217 1 63 ALA H 1 64 TYR H 0.000 . 3.500 2.457 2.239 2.748 . 0 0 "[ . 1 . 2 ]" 1
218 1 64 TYR QB 1 65 ALA H 0.000 . 5.000 2.877 2.378 3.143 . 0 0 "[ . 1 . 2 ]" 1
219 1 64 TYR H 1 65 ALA H 0.000 . 5.000 2.364 2.245 2.620 . 0 0 "[ . 1 . 2 ]" 1
220 1 65 ALA HA 1 66 GLN H 0.000 . 5.000 3.452 3.364 3.522 . 0 0 "[ . 1 . 2 ]" 1
221 1 65 ALA MB 1 66 GLN H 0.000 . 6.000 2.842 2.586 3.108 . 0 0 "[ . 1 . 2 ]" 1
222 1 65 ALA H 1 66 GLN H 0.000 . 5.000 2.487 2.348 2.761 . 0 0 "[ . 1 . 2 ]" 1
223 1 66 GLN QB 1 67 HIS H 0.000 . 5.000 2.995 2.405 3.163 . 0 0 "[ . 1 . 2 ]" 1
224 1 66 GLN H 1 67 HIS H 0.000 . 3.500 2.321 2.218 2.460 . 0 0 "[ . 1 . 2 ]" 1
225 1 67 HIS HA 1 68 VAL H 0.000 . 3.500 3.488 3.353 3.564 0.064 9 0 "[ . 1 . 2 ]" 1
226 1 67 HIS QB 1 68 VAL H 0.000 . 4.500 2.737 2.389 3.155 . 0 0 "[ . 1 . 2 ]" 1
227 1 67 HIS H 1 68 VAL H 0.000 . 3.500 2.431 2.301 2.770 . 0 0 "[ . 1 . 2 ]" 1
228 1 68 VAL HA 1 69 PHE H 0.000 . 5.000 3.365 3.332 3.448 . 0 0 "[ . 1 . 2 ]" 1
229 1 68 VAL H 1 69 PHE H 0.000 . 3.500 2.646 2.296 2.805 . 0 0 "[ . 1 . 2 ]" 1
230 1 70 ARG HA 1 71 SER H 0.000 . 5.000 3.420 3.340 3.519 . 0 0 "[ . 1 . 2 ]" 1
231 1 70 ARG QD 1 71 SER HA 0.000 . 7.000 5.955 4.696 6.440 . 0 0 "[ . 1 . 2 ]" 1
232 1 70 ARG QD 1 71 SER H 0.000 . 4.900 5.086 4.040 5.543 0.643 11 3 "[ - *1+ . 2 ]" 1
233 1 70 ARG HE 1 71 SER HA 0.000 . 7.000 7.642 6.297 9.003 2.003 12 11 "[ -* * 1 +* * **** *]" 1
234 1 70 ARG H 1 71 SER H 0.000 . 5.000 2.790 2.738 2.852 . 0 0 "[ . 1 . 2 ]" 1
235 1 71 SER H 1 72 PHE H 0.000 . 5.000 2.711 2.318 2.807 . 0 0 "[ . 1 . 2 ]" 1
236 1 72 PHE H 1 73 ASP H 0.000 . 5.000 2.403 1.733 3.864 . 0 0 "[ . 1 . 2 ]" 1
237 1 73 ASP HA 1 74 ALA H 0.000 . 5.000 3.021 2.847 3.392 . 0 0 "[ . 1 . 2 ]" 1
238 1 73 ASP H 1 74 ALA H 0.000 . 5.000 2.558 1.819 4.189 . 0 0 "[ . 1 . 2 ]" 1
239 1 74 ALA HA 1 75 ASN QB 0.000 . 6.500 5.165 4.804 5.489 . 0 0 "[ . 1 . 2 ]" 1
240 1 74 ALA HA 1 75 ASN H 0.000 . 2.900 2.956 2.338 3.264 0.364 9 0 "[ . 1 . 2 ]" 1
241 1 74 ALA MB 1 75 ASN H 0.000 . 6.000 3.484 3.251 3.705 . 0 0 "[ . 1 . 2 ]" 1
242 1 74 ALA H 1 75 ASN H 0.000 . 5.000 2.747 2.246 3.750 . 0 0 "[ . 1 . 2 ]" 1
243 1 75 ASN HA 1 76 SER H 0.000 . 3.500 2.818 2.537 3.532 0.032 12 0 "[ . 1 . 2 ]" 1
244 1 75 ASN QB 1 76 SER HA 0.000 . 6.500 5.261 4.249 5.612 . 0 0 "[ . 1 . 2 ]" 1
245 1 75 ASN QB 1 76 SER QB 0.000 . 7.500 4.200 3.342 5.036 . 0 0 "[ . 1 . 2 ]" 1
246 1 75 ASN QB 1 76 SER H 0.000 . 4.400 3.590 1.733 4.070 . 0 0 "[ . 1 . 2 ]" 1
247 1 75 ASN H 1 76 SER H 0.000 . 3.500 3.357 1.790 4.537 1.037 9 3 "[ . * +1 . -2 ]" 1
248 1 76 SER HA 1 77 ASP H 0.000 . 5.000 2.755 2.383 3.283 . 0 0 "[ . 1 . 2 ]" 1
249 1 76 SER H 1 77 ASP H 0.000 . 5.000 2.789 1.353 3.470 . 0 0 "[ . 1 . 2 ]" 1
250 1 77 ASP HA 1 78 GLY H 0.000 . 5.000 3.435 2.239 3.573 . 0 0 "[ . 1 . 2 ]" 1
251 1 77 ASP QB 1 78 GLY H 0.000 . 4.500 2.576 1.803 3.996 . 0 0 "[ . 1 . 2 ]" 1
252 1 77 ASP H 1 78 GLY H 0.000 . 3.500 2.351 1.824 3.610 0.110 9 0 "[ . 1 . 2 ]" 1
253 1 78 GLY H 1 79 THR H 0.000 . 3.500 2.603 2.099 2.879 . 0 0 "[ . 1 . 2 ]" 1
254 1 79 THR HA 1 80 LEU H 0.000 . 6.000 2.329 2.262 2.369 . 0 0 "[ . 1 . 2 ]" 1
255 1 79 THR H 1 80 LEU H 0.000 . 2.900 4.430 4.381 4.516 1.616 12 24 [**-********+************] 1
256 1 80 LEU HA 1 81 ASP H 0.000 . 3.500 2.160 2.118 2.510 . 0 0 "[ . 1 . 2 ]" 1
257 1 81 ASP HA 1 82 PHE H 0.000 . 3.500 2.343 2.263 2.378 . 0 0 "[ . 1 . 2 ]" 1
258 1 82 PHE HA 1 83 LYS H 0.000 . 3.500 3.548 3.269 3.603 0.103 4 0 "[ . 1 . 2 ]" 1
259 1 82 PHE QB 1 83 LYS H 0.000 . 4.500 2.357 1.804 3.358 . 0 0 "[ . 1 . 2 ]" 1
260 1 83 LYS QB 1 84 GLU H 0.000 . 4.500 2.463 2.032 3.034 . 0 0 "[ . 1 . 2 ]" 1
261 1 83 LYS QD 1 84 GLU H 0.000 . 7.000 3.596 2.255 5.061 . 0 0 "[ . 1 . 2 ]" 1
262 1 83 LYS H 1 84 GLU H 0.000 . 5.000 2.877 2.519 3.139 . 0 0 "[ . 1 . 2 ]" 1
263 1 84 GLU HA 1 85 TYR H 0.000 . 5.000 3.503 3.399 3.562 . 0 0 "[ . 1 . 2 ]" 1
264 1 84 GLU QB 1 85 TYR H 0.000 . 6.000 2.678 2.239 3.604 . 0 0 "[ . 1 . 2 ]" 1
265 1 84 GLU H 1 85 TYR H 0.000 . 3.500 2.511 2.262 2.755 . 0 0 "[ . 1 . 2 ]" 1
266 1 85 TYR H 1 86 VAL H 0.000 . 3.500 2.777 2.676 2.924 . 0 0 "[ . 1 . 2 ]" 1
267 1 86 VAL HA 1 87 ILE H 0.000 . 3.500 3.552 3.484 3.575 0.075 21 0 "[ . 1 . 2 ]" 1
268 1 86 VAL H 1 87 ILE H 0.000 . 5.000 2.869 2.579 3.277 . 0 0 "[ . 1 . 2 ]" 1
269 1 87 ILE H 1 88 ALA H 0.000 . 3.500 2.885 2.722 3.026 . 0 0 "[ . 1 . 2 ]" 1
270 1 88 ALA HA 1 89 LEU HA 0.000 . 5.000 4.799 4.698 4.895 . 0 0 "[ . 1 . 2 ]" 1
271 1 88 ALA HA 1 89 LEU H 0.000 . 5.000 3.564 3.549 3.579 . 0 0 "[ . 1 . 2 ]" 1
272 1 89 LEU QB 1 90 HIS H 0.000 . 6.500 2.649 2.117 3.122 . 0 0 "[ . 1 . 2 ]" 1
273 1 89 LEU H 1 90 HIS H 0.000 . 3.500 2.853 2.614 3.265 . 0 0 "[ . 1 . 2 ]" 1
274 1 90 HIS H 1 91 MET H 0.000 . 5.000 2.698 2.347 3.068 . 0 0 "[ . 1 . 2 ]" 1
275 1 91 MET H 1 92 THR H 0.000 . 3.500 2.739 2.394 2.985 . 0 0 "[ . 1 . 2 ]" 1
276 1 92 THR H 1 93 SER H 0.000 . 5.000 2.840 2.196 4.563 . 0 0 "[ . 1 . 2 ]" 1
277 1 93 SER HA 1 94 ALA H 0.000 . 5.000 2.998 2.137 3.574 . 0 0 "[ . 1 . 2 ]" 1
278 1 94 ALA MB 1 95 GLY H 0.000 . 6.000 3.000 1.657 3.713 . 0 0 "[ . 1 . 2 ]" 1
279 1 103 TRP H 1 104 ALA H 0.000 . 5.000 2.617 2.417 2.926 . 0 0 "[ . 1 . 2 ]" 1
280 1 104 ALA HA 1 105 PHE HA 0.000 . 5.000 4.883 4.760 4.947 . 0 0 "[ . 1 . 2 ]" 1
281 1 105 PHE HA 1 106 SER H 0.000 . 5.000 3.444 3.321 3.558 . 0 0 "[ . 1 . 2 ]" 1
282 1 105 PHE QB 1 106 SER H 0.000 . 5.000 2.908 2.399 3.276 . 0 0 "[ . 1 . 2 ]" 1
283 1 105 PHE H 1 106 SER H 0.000 . 3.500 2.792 2.512 2.966 . 0 0 "[ . 1 . 2 ]" 1
284 1 106 SER HA 1 107 LEU H 0.000 . 5.000 3.526 3.357 3.607 . 0 0 "[ . 1 . 2 ]" 1
285 1 106 SER QB 1 107 LEU H 0.000 . 6.000 2.601 2.127 3.328 . 0 0 "[ . 1 . 2 ]" 1
286 1 106 SER H 1 107 LEU H 0.000 . 3.500 2.553 2.317 2.992 . 0 0 "[ . 1 . 2 ]" 1
287 1 107 LEU HA 1 108 TYR H 0.000 . 3.500 3.541 3.303 3.577 0.077 21 0 "[ . 1 . 2 ]" 1
288 1 107 LEU H 1 108 TYR H 0.000 . 3.500 2.727 2.420 3.032 . 0 0 "[ . 1 . 2 ]" 1
289 1 108 TYR HA 1 109 ASP HA 0.000 . 5.000 4.633 4.487 4.765 . 0 0 "[ . 1 . 2 ]" 1
290 1 108 TYR QB 1 109 ASP H 0.000 . 6.000 2.979 2.588 3.515 . 0 0 "[ . 1 . 2 ]" 1
291 1 108 TYR QD 1 109 ASP H 0.000 . 6.500 4.572 4.015 4.928 . 0 0 "[ . 1 . 2 ]" 1
292 1 109 ASP HA 1 110 VAL H 0.000 . 5.000 2.488 2.184 2.679 . 0 0 "[ . 1 . 2 ]" 1
293 1 109 ASP QB 1 110 VAL H 0.000 . 6.000 3.998 3.872 4.034 . 0 0 "[ . 1 . 2 ]" 1
294 1 109 ASP H 1 110 VAL H 0.000 . 5.000 3.562 3.392 3.808 . 0 0 "[ . 1 . 2 ]" 1
295 1 110 VAL HA 1 111 ASP H 0.000 . 2.900 3.539 3.394 3.580 0.680 18 23 "[***-******** ****+******]" 1
296 1 110 VAL H 1 111 ASP H 0.000 . 3.500 3.054 2.490 3.413 . 0 0 "[ . 1 . 2 ]" 1
297 1 111 ASP H 1 112 GLY H 0.000 . 5.000 2.856 2.582 2.989 . 0 0 "[ . 1 . 2 ]" 1
298 1 112 GLY H 1 113 ASN H 0.000 . 2.900 2.783 2.019 3.323 0.423 7 0 "[ . 1 . 2 ]" 1
299 1 113 ASN HA 1 114 GLY H 0.000 . 4.500 3.032 2.883 3.190 . 0 0 "[ . 1 . 2 ]" 1
300 1 113 ASN H 1 114 GLY H 0.000 . 2.900 2.824 1.912 4.115 1.215 7 10 "[ .*+ ** * . * ** -*]" 1
301 1 114 GLY QA 1 115 THR H 0.000 . 2.900 2.875 2.706 2.936 0.036 5 0 "[ . 1 . 2 ]" 1
302 1 114 GLY H 1 115 THR H 0.000 . 3.500 2.389 1.433 3.047 . 0 0 "[ . 1 . 2 ]" 1
303 1 115 THR HA 1 116 ILE MG 0.000 . 7.500 5.442 5.377 5.483 . 0 0 "[ . 1 . 2 ]" 1
304 1 115 THR HA 1 116 ILE H 0.000 . 6.000 2.179 2.125 2.334 . 0 0 "[ . 1 . 2 ]" 1
305 1 115 THR H 1 116 ILE H 0.000 . 2.900 4.226 4.087 4.398 1.498 23 24 [*******************-**+*] 1
306 1 116 ILE HA 1 117 SER H 0.000 . 2.900 2.210 2.123 2.351 . 0 0 "[ . 1 . 2 ]" 1
307 1 116 ILE HB 1 117 SER H 0.000 . 3.500 4.065 3.758 4.384 0.884 7 15 "[ *****+ 1* * ** ** -**]" 1
308 1 116 ILE MG 1 117 SER H 0.000 . 6.500 2.215 1.771 2.836 . 0 0 "[ . 1 . 2 ]" 1
309 1 116 ILE H 1 117 SER H 0.000 . 5.000 4.555 4.294 4.612 . 0 0 "[ . 1 . 2 ]" 1
310 1 117 SER HA 1 118 LYS H 0.000 . 2.900 2.446 2.195 2.584 . 0 0 "[ . 1 . 2 ]" 1
311 1 118 LYS HA 1 119 ASN H 0.000 . 2.900 3.537 3.432 3.579 0.679 24 24 [*************-*********+] 1
312 1 118 LYS QB 1 119 ASN H 0.000 . 6.000 2.508 2.029 3.558 . 0 0 "[ . 1 . 2 ]" 1
313 1 119 ASN QB 1 120 GLU H 0.000 . 6.000 2.503 1.821 3.422 . 0 0 "[ . 1 . 2 ]" 1
314 1 119 ASN H 1 120 GLU H 0.000 . 5.000 2.864 2.591 3.142 . 0 0 "[ . 1 . 2 ]" 1
315 1 120 GLU HA 1 121 VAL H 0.000 . 5.000 3.560 3.503 3.578 . 0 0 "[ . 1 . 2 ]" 1
316 1 120 GLU QB 1 121 VAL H 0.000 . 4.500 2.247 2.058 2.489 . 0 0 "[ . 1 . 2 ]" 1
317 1 120 GLU H 1 121 VAL H 0.000 . 5.000 2.817 2.498 3.069 . 0 0 "[ . 1 . 2 ]" 1
318 1 121 VAL H 1 122 LEU H 0.000 . 3.500 2.732 2.582 2.858 . 0 0 "[ . 1 . 2 ]" 1
319 1 122 LEU HG 1 123 GLU H 0.000 . 5.900 4.858 4.494 5.031 . 0 0 "[ . 1 . 2 ]" 1
320 1 122 LEU H 1 123 GLU H 0.000 . 3.500 2.737 2.534 2.893 . 0 0 "[ . 1 . 2 ]" 1
321 1 123 GLU QB 1 124 ILE H 0.000 . 4.500 2.337 2.015 3.302 . 0 0 "[ . 1 . 2 ]" 1
322 1 123 GLU H 1 124 ILE H 0.000 . 3.500 2.767 2.519 3.005 . 0 0 "[ . 1 . 2 ]" 1
323 1 124 ILE HB 1 125 VAL H 0.000 . 4.500 2.493 2.193 3.054 . 0 0 "[ . 1 . 2 ]" 1
324 1 124 ILE H 1 125 VAL H 0.000 . 3.500 2.829 2.683 2.981 . 0 0 "[ . 1 . 2 ]" 1
325 1 125 VAL HB 1 126 THR H 0.000 . 5.000 2.374 2.129 2.646 . 0 0 "[ . 1 . 2 ]" 1
326 1 125 VAL QG 1 126 THR H 0.000 . 6.500 2.886 2.235 3.139 . 0 0 "[ . 1 . 2 ]" 1
327 1 125 VAL H 1 126 THR H 0.000 . 3.500 2.720 2.487 2.957 . 0 0 "[ . 1 . 2 ]" 1
328 1 126 THR HA 1 127 ALA H 0.000 . 5.000 3.555 3.520 3.572 . 0 0 "[ . 1 . 2 ]" 1
329 1 126 THR H 1 127 ALA H 0.000 . 3.500 2.828 2.605 2.933 . 0 0 "[ . 1 . 2 ]" 1
330 1 127 ALA HA 1 128 ILE H 0.000 . 5.000 3.563 3.543 3.576 . 0 0 "[ . 1 . 2 ]" 1
331 1 127 ALA H 1 128 ILE H 0.000 . 2.900 2.918 2.767 3.136 0.236 15 0 "[ . 1 . 2 ]" 1
332 1 128 ILE HB 1 129 PHE H 0.000 . 5.000 2.480 2.117 2.799 . 0 0 "[ . 1 . 2 ]" 1
333 1 128 ILE H 1 129 PHE H 0.000 . 3.500 2.842 2.655 3.173 . 0 0 "[ . 1 . 2 ]" 1
334 1 129 PHE H 1 130 LYS H 0.000 . 3.500 2.800 2.675 2.972 . 0 0 "[ . 1 . 2 ]" 1
335 1 130 LYS HA 1 131 MET H 0.000 . 5.000 3.527 3.423 3.577 . 0 0 "[ . 1 . 2 ]" 1
336 1 130 LYS QB 1 131 MET HA 0.000 . 6.000 3.828 3.706 3.942 . 0 0 "[ . 1 . 2 ]" 1
337 1 130 LYS QB 1 131 MET H 0.000 . 6.000 2.516 2.238 2.932 . 0 0 "[ . 1 . 2 ]" 1
338 1 130 LYS H 1 131 MET H 0.000 . 5.000 2.625 2.368 2.886 . 0 0 "[ . 1 . 2 ]" 1
339 1 131 MET HA 1 132 ILE H 0.000 . 5.000 3.467 3.376 3.558 . 0 0 "[ . 1 . 2 ]" 1
340 1 131 MET QB 1 132 ILE H 0.000 . 6.000 2.964 2.692 3.485 . 0 0 "[ . 1 . 2 ]" 1
341 1 131 MET H 1 132 ILE H 0.000 . 3.500 2.606 2.329 2.747 . 0 0 "[ . 1 . 2 ]" 1
342 1 132 ILE HB 1 133 SER H 0.000 . 6.000 4.214 3.704 4.488 . 0 0 "[ . 1 . 2 ]" 1
343 1 132 ILE H 1 133 SER H 0.000 . 2.900 4.459 4.039 4.671 1.771 5 24 [****+******-************] 1
344 1 134 PRO HA 1 135 GLU QG 0.000 . 6.000 5.878 4.757 6.542 0.542 9 4 "[ . +1 * . * - ]" 1
345 1 135 GLU HA 1 136 ASP HA 0.000 . 5.000 4.635 4.593 4.785 . 0 0 "[ . 1 . 2 ]" 1
346 1 135 GLU QB 1 136 ASP HA 0.000 . 4.300 4.097 3.776 4.789 0.489 17 0 "[ . 1 . 2 ]" 1
347 1 136 ASP HA 1 137 THR H 0.000 . 3.500 3.474 3.218 3.573 0.073 17 0 "[ . 1 . 2 ]" 1
348 1 136 ASP QB 1 137 THR HA 0.000 . 6.000 3.933 3.710 4.171 . 0 0 "[ . 1 . 2 ]" 1
349 1 136 ASP QB 1 137 THR H 0.000 . 3.900 2.792 2.463 3.450 . 0 0 "[ . 1 . 2 ]" 1
350 1 136 ASP H 1 137 THR H 0.000 . 5.000 2.294 2.117 2.680 . 0 0 "[ . 1 . 2 ]" 1
351 1 137 THR HA 1 138 LYS H 0.000 . 5.000 3.375 3.326 3.484 . 0 0 "[ . 1 . 2 ]" 1
352 1 137 THR HB 1 138 LYS H 0.000 . 6.000 3.256 2.852 3.489 . 0 0 "[ . 1 . 2 ]" 1
353 1 137 THR H 1 138 LYS H 0.000 . 2.900 2.644 2.326 2.823 . 0 0 "[ . 1 . 2 ]" 1
354 1 138 LYS HA 1 139 HIS H 0.000 . 5.000 3.298 3.150 3.552 . 0 0 "[ . 1 . 2 ]" 1
355 1 138 LYS QG 1 139 HIS H 0.000 . 5.000 4.201 2.884 4.694 . 0 0 "[ . 1 . 2 ]" 1
356 1 138 LYS H 1 139 HIS H 0.000 . 3.500 2.481 2.227 2.967 . 0 0 "[ . 1 . 2 ]" 1
357 1 139 HIS QB 1 140 LEU QB 0.000 . 7.000 4.493 3.734 5.301 . 0 0 "[ . 1 . 2 ]" 1
358 1 142 GLU HA 1 143 ASP H 0.000 . 2.900 3.022 2.118 3.567 0.667 5 8 "[* + ** 1* *-. 2 * ]" 1
359 1 142 GLU QB 1 143 ASP H 0.000 . 6.000 2.889 1.780 3.729 . 0 0 "[ . 1 . 2 ]" 1
360 1 143 ASP HA 1 144 GLU H 0.000 . 5.000 3.295 3.024 3.535 . 0 0 "[ . 1 . 2 ]" 1
361 1 143 ASP QB 1 144 GLU QB 0.000 . 7.000 3.872 3.293 4.852 . 0 0 "[ . 1 . 2 ]" 1
362 1 143 ASP QB 1 144 GLU H 0.000 . 3.900 3.276 2.334 3.982 0.082 24 0 "[ . 1 . 2 ]" 1
363 1 143 ASP H 1 144 GLU H 0.000 . 5.000 2.561 1.589 2.907 . 0 0 "[ . 1 . 2 ]" 1
364 1 144 GLU H 1 145 ASN H 0.000 . 2.900 2.664 1.830 2.968 0.068 2 0 "[ . 1 . 2 ]" 1
365 1 145 ASN HA 1 146 THR H 0.000 . 5.000 3.207 2.718 3.591 . 0 0 "[ . 1 . 2 ]" 1
366 1 145 ASN H 1 146 THR H 0.000 . 2.900 2.634 1.740 3.384 0.484 3 0 "[ . 1 . 2 ]" 1
367 1 147 PRO HA 1 148 GLU QG 0.000 . 6.000 5.543 4.700 6.418 0.418 7 0 "[ . 1 . 2 ]" 1
368 1 148 GLU HA 1 149 LYS H 0.000 . 5.000 3.435 3.352 3.544 . 0 0 "[ . 1 . 2 ]" 1
369 1 149 LYS HA 1 150 ARG H 0.000 . 5.000 3.524 3.423 3.569 . 0 0 "[ . 1 . 2 ]" 1
370 1 149 LYS H 1 150 ARG H 0.000 . 5.000 2.423 2.262 2.672 . 0 0 "[ . 1 . 2 ]" 1
371 1 150 ARG H 1 151 ALA H 0.000 . 3.500 2.443 2.295 2.640 . 0 0 "[ . 1 . 2 ]" 1
372 1 151 ALA HA 1 152 GLU H 0.000 . 5.000 3.459 3.398 3.522 . 0 0 "[ . 1 . 2 ]" 1
373 1 151 ALA MB 1 152 GLU H 0.000 . 4.500 2.710 2.492 2.884 . 0 0 "[ . 1 . 2 ]" 1
374 1 151 ALA H 1 152 GLU H 0.000 . 3.500 2.743 2.625 2.881 . 0 0 "[ . 1 . 2 ]" 1
375 1 152 GLU QB 1 153 LYS H 0.000 . 4.400 2.779 2.557 3.490 . 0 0 "[ . 1 . 2 ]" 1
376 1 152 GLU H 1 153 LYS H 0.000 . 2.900 2.429 2.300 2.613 . 0 0 "[ . 1 . 2 ]" 1
377 1 153 LYS HA 1 154 ILE H 0.000 . 5.000 3.554 3.515 3.571 . 0 0 "[ . 1 . 2 ]" 1
378 1 153 LYS QB 1 154 ILE H 0.000 . 4.500 2.273 1.891 2.591 . 0 0 "[ . 1 . 2 ]" 1
379 1 153 LYS QG 1 154 ILE H 0.000 . 6.000 3.766 2.830 4.468 . 0 0 "[ . 1 . 2 ]" 1
380 1 153 LYS H 1 154 ILE H 0.000 . 2.900 2.697 2.551 2.917 0.017 2 0 "[ . 1 . 2 ]" 1
381 1 154 ILE H 1 155 TRP HD1 0.000 . 6.500 7.262 4.612 7.773 1.273 14 23 [*********1***+-*********] 1
382 1 155 TRP HD1 1 156 GLY H 0.000 . 6.500 4.284 3.411 5.036 . 0 0 "[ . 1 . 2 ]" 1
383 1 155 TRP H 1 156 GLY H 0.000 . 3.500 2.756 2.492 2.919 . 0 0 "[ . 1 . 2 ]" 1
384 1 157 PHE HA 1 158 PHE H 0.000 . 4.500 3.545 3.472 3.586 . 0 0 "[ . 1 . 2 ]" 1
385 1 157 PHE H 1 158 PHE H 0.000 . 3.500 2.864 2.539 3.577 0.077 2 0 "[ . 1 . 2 ]" 1
386 1 158 PHE QB 1 159 GLY H 0.000 . 6.000 2.412 2.014 2.802 . 0 0 "[ . 1 . 2 ]" 1
387 1 158 PHE QD 1 159 GLY H 0.000 . 7.000 4.030 3.274 4.487 . 0 0 "[ . 1 . 2 ]" 1
388 1 158 PHE H 1 159 GLY H 0.000 . 3.500 2.672 2.237 2.984 . 0 0 "[ . 1 . 2 ]" 1
389 1 159 GLY H 1 160 LYS H 0.000 . 2.900 3.254 2.635 3.809 0.909 19 10 "[ ** . * *- .* +* ** ]" 1
390 1 160 LYS HA 1 161 LYS H 0.000 . 4.500 2.401 2.134 2.874 . 0 0 "[ . 1 . 2 ]" 1
391 1 160 LYS H 1 161 LYS H 0.000 . 3.500 4.434 3.640 4.669 1.169 19 22 "[******* ***-******+** **]" 1
392 1 161 LYS HA 1 162 ASP QB 0.000 . 6.000 4.839 3.712 5.468 . 0 0 "[ . 1 . 2 ]" 1
393 1 161 LYS HA 1 162 ASP H 0.000 . 2.900 3.109 2.181 3.584 0.684 11 9 "[** .* -*+ *.* 2 * ]" 1
394 1 161 LYS QB 1 162 ASP H 0.000 . 4.500 2.121 1.636 3.977 . 0 0 "[ . 1 . 2 ]" 1
395 1 163 ASP HA 1 164 ASP HA 0.000 . 5.000 4.468 4.318 5.058 0.058 13 0 "[ . 1 . 2 ]" 1
396 1 163 ASP QB 1 164 ASP H 0.000 . 6.000 3.918 3.561 4.033 . 0 0 "[ . 1 . 2 ]" 1
397 1 164 ASP HA 1 165 LYS HA 0.000 . 5.000 4.456 4.359 4.565 . 0 0 "[ . 1 . 2 ]" 1
398 1 164 ASP HA 1 165 LYS H 0.000 . 2.900 2.390 2.124 2.970 0.070 4 0 "[ . 1 . 2 ]" 1
399 1 164 ASP QB 1 165 LYS HA 0.000 . 6.000 4.434 4.240 4.734 . 0 0 "[ . 1 . 2 ]" 1
400 1 164 ASP H 1 165 LYS H 0.000 . 3.500 3.555 3.170 3.765 0.265 23 0 "[ . 1 . 2 ]" 1
401 1 165 LYS HA 1 166 LEU HA 0.000 . 5.000 4.391 4.357 4.437 . 0 0 "[ . 1 . 2 ]" 1
402 1 165 LYS HA 1 166 LEU QB 0.000 . 6.000 4.053 3.930 4.107 . 0 0 "[ . 1 . 2 ]" 1
403 1 165 LYS HA 1 166 LEU QD 0.000 . 6.000 4.880 4.408 5.155 . 0 0 "[ . 1 . 2 ]" 1
404 1 165 LYS HA 1 166 LEU H 0.000 . 2.900 2.202 2.124 2.335 . 0 0 "[ . 1 . 2 ]" 1
405 1 165 LYS QB 1 166 LEU HA 0.000 . 6.000 4.431 4.237 4.733 . 0 0 "[ . 1 . 2 ]" 1
406 1 165 LYS QB 1 166 LEU H 0.000 . 4.500 3.093 2.598 3.567 . 0 0 "[ . 1 . 2 ]" 1
407 1 165 LYS H 1 166 LEU H 0.000 . 3.500 4.430 4.045 4.613 1.113 22 24 [**********-**********+**] 1
408 1 166 LEU HA 1 167 THR HA 0.000 . 5.000 4.406 4.381 4.473 . 0 0 "[ . 1 . 2 ]" 1
409 1 166 LEU HA 1 167 THR H 0.000 . 2.900 2.137 2.085 2.274 . 0 0 "[ . 1 . 2 ]" 1
410 1 166 LEU QB 1 167 THR H 0.000 . 3.900 3.668 3.526 3.796 . 0 0 "[ . 1 . 2 ]" 1
411 1 166 LEU H 1 167 THR H 0.000 . 5.000 4.526 4.385 4.647 . 0 0 "[ . 1 . 2 ]" 1
412 1 167 THR HA 1 168 GLU H 0.000 . 2.900 2.341 2.295 2.370 . 0 0 "[ . 1 . 2 ]" 1
413 1 167 THR HB 1 168 GLU H 0.000 . 3.900 3.010 2.563 3.616 . 0 0 "[ . 1 . 2 ]" 1
414 1 167 THR H 1 168 GLU H 0.000 . 5.000 4.575 4.470 4.616 . 0 0 "[ . 1 . 2 ]" 1
415 1 168 GLU HA 1 169 LYS H 0.000 . 2.900 3.478 3.349 3.574 0.674 5 20 "[****+** *1** -*********]" 1
416 1 168 GLU QG 1 169 LYS H 0.000 . 5.000 3.278 1.669 4.212 . 0 0 "[ . 1 . 2 ]" 1
417 1 169 LYS H 1 170 GLU H 0.000 . 3.500 2.874 2.646 2.998 . 0 0 "[ . 1 . 2 ]" 1
418 1 170 GLU QB 1 171 PHE H 0.000 . 4.500 2.722 2.461 3.274 . 0 0 "[ . 1 . 2 ]" 1
419 1 170 GLU H 1 171 PHE H 0.000 . 2.900 2.482 2.305 2.836 . 0 0 "[ . 1 . 2 ]" 1
420 1 171 PHE HA 1 172 ILE H 0.000 . 5.000 3.427 3.366 3.477 . 0 0 "[ . 1 . 2 ]" 1
421 1 171 PHE QB 1 172 ILE H 0.000 . 4.500 2.884 2.729 3.011 . 0 0 "[ . 1 . 2 ]" 1
422 1 171 PHE H 1 172 ILE H 0.000 . 2.900 2.754 2.683 2.812 . 0 0 "[ . 1 . 2 ]" 1
423 1 172 ILE HA 1 173 GLU H 0.000 . 5.000 3.521 3.479 3.544 . 0 0 "[ . 1 . 2 ]" 1
424 1 172 ILE HB 1 173 GLU H 0.000 . 6.000 2.650 2.221 2.844 . 0 0 "[ . 1 . 2 ]" 1
425 1 172 ILE MD 1 173 GLU HA 0.000 . 7.000 5.763 5.631 5.854 . 0 0 "[ . 1 . 2 ]" 1
426 1 172 ILE MD 1 173 GLU QG 0.000 . 8.500 4.048 3.843 4.565 . 0 0 "[ . 1 . 2 ]" 1
427 1 172 ILE MD 1 173 GLU H 0.000 . 7.000 4.270 4.004 4.538 . 0 0 "[ . 1 . 2 ]" 1
428 1 172 ILE H 1 173 GLU H 0.000 . 3.500 2.275 2.224 2.358 . 0 0 "[ . 1 . 2 ]" 1
429 1 173 GLU HA 1 174 GLY H 0.000 . 5.000 3.562 3.545 3.574 . 0 0 "[ . 1 . 2 ]" 1
430 1 173 GLU QG 1 174 GLY H 0.000 . 5.000 3.640 3.090 3.802 . 0 0 "[ . 1 . 2 ]" 1
431 1 173 GLU H 1 174 GLY H 0.000 . 3.500 2.531 2.364 2.751 . 0 0 "[ . 1 . 2 ]" 1
432 1 175 THR HA 1 176 LEU H 0.000 . 3.900 3.510 3.475 3.538 . 0 0 "[ . 1 . 2 ]" 1
433 1 175 THR H 1 176 LEU H 0.000 . 3.500 2.149 2.060 2.312 . 0 0 "[ . 1 . 2 ]" 1
434 1 176 LEU H 1 177 ALA H 0.000 . 5.000 2.644 2.407 2.894 . 0 0 "[ . 1 . 2 ]" 1
435 1 177 ALA HA 1 178 ASN H 0.000 . 3.500 3.509 3.384 3.560 0.060 14 0 "[ . 1 . 2 ]" 1
436 1 177 ALA MB 1 178 ASN H 0.000 . 4.500 1.913 1.686 2.522 . 0 0 "[ . 1 . 2 ]" 1
437 1 177 ALA H 1 178 ASN H 0.000 . 2.900 3.114 2.243 3.656 0.756 24 7 "[* *.* - ** . 2 +]" 1
438 1 178 ASN HA 1 179 LYS H 0.000 . 3.500 2.184 2.131 2.447 . 0 0 "[ . 1 . 2 ]" 1
439 1 178 ASN QB 1 179 LYS HA 0.000 . 6.500 4.537 4.407 4.745 . 0 0 "[ . 1 . 2 ]" 1
440 1 178 ASN QB 1 179 LYS QB 0.000 . 7.500 4.980 4.607 5.356 . 0 0 "[ . 1 . 2 ]" 1
441 1 178 ASN QB 1 179 LYS H 0.000 . 4.400 3.427 3.107 3.890 . 0 0 "[ . 1 . 2 ]" 1
442 1 181 ILE HA 1 182 LEU H 0.000 . 5.000 3.510 3.374 3.575 . 0 0 "[ . 1 . 2 ]" 1
443 1 181 ILE HB 1 182 LEU HA 0.000 . 6.000 4.436 4.226 4.666 . 0 0 "[ . 1 . 2 ]" 1
444 1 181 ILE HB 1 182 LEU QD 0.000 . 7.500 4.515 2.765 5.382 . 0 0 "[ . 1 . 2 ]" 1
445 1 181 ILE HB 1 182 LEU H 0.000 . 6.000 2.592 1.993 3.263 . 0 0 "[ . 1 . 2 ]" 1
446 1 181 ILE H 1 182 LEU H 0.000 . 3.500 2.547 2.228 3.141 . 0 0 "[ . 1 . 2 ]" 1
447 1 182 LEU HA 1 183 ARG H 0.000 . 5.000 3.491 3.232 3.575 . 0 0 "[ . 1 . 2 ]" 1
448 1 182 LEU H 1 183 ARG QD 0.000 . 7.400 6.410 5.058 7.277 . 0 0 "[ . 1 . 2 ]" 1
449 1 182 LEU H 1 183 ARG H 0.000 . 3.500 2.821 2.433 3.514 0.014 5 0 "[ . 1 . 2 ]" 1
450 1 183 ARG QB 1 184 LEU H 0.000 . 3.900 2.999 1.898 3.870 . 0 0 "[ . 1 . 2 ]" 1
451 1 183 ARG QD 1 184 LEU H 0.000 . 7.400 4.828 2.299 5.883 . 0 0 "[ . 1 . 2 ]" 1
452 1 183 ARG H 1 184 LEU H 0.000 . 3.500 2.595 2.271 2.938 . 0 0 "[ . 1 . 2 ]" 1
453 1 184 LEU H 1 185 ILE H 0.000 . 3.500 2.726 2.392 2.946 . 0 0 "[ . 1 . 2 ]" 1
454 1 185 ILE H 1 186 GLN H 0.000 . 2.900 2.977 2.543 3.473 0.573 10 4 "[ .* + * . -2 ]" 1
455 1 186 GLN QG 1 187 PHE QB 0.000 . 7.500 5.245 4.114 6.200 . 0 0 "[ . 1 . 2 ]" 1
456 1 186 GLN H 1 187 PHE H 0.000 . 3.500 4.184 2.369 4.650 1.150 17 20 "[******* *1 ****+****-**]" 1
457 1 187 PHE HA 1 188 GLU H 0.000 . 3.500 2.804 2.145 3.566 0.066 9 0 "[ . 1 . 2 ]" 1
458 1 187 PHE QB 1 188 GLU H 0.000 . 4.500 3.069 1.644 4.032 . 0 0 "[ . 1 . 2 ]" 1
459 1 9 SER HA 1 12 ILE H 0.000 . 3.500 3.642 2.943 4.190 0.690 4 2 "[ +. - 1 . 2 ]" 1
460 1 9 SER QB 1 13 LEU QD 0.000 . 7.500 4.026 2.650 4.912 . 0 0 "[ . 1 . 2 ]" 1
461 1 10 LYS HA 1 13 LEU QD 0.000 . 6.500 3.396 2.141 4.068 . 0 0 "[ . 1 . 2 ]" 1
462 1 10 LYS QB 1 13 LEU QD 0.000 . 7.500 4.739 3.202 5.326 . 0 0 "[ . 1 . 2 ]" 1
463 1 10 LYS QB 1 13 LEU H 0.000 . 6.000 5.311 4.887 5.489 . 0 0 "[ . 1 . 2 ]" 1
464 1 10 LYS H 1 13 LEU QD 0.000 . 5.000 4.686 3.937 5.275 0.275 2 0 "[ . 1 . 2 ]" 1
465 1 11 GLU HA 1 14 GLU QB 0.000 . 3.700 2.991 2.382 3.404 . 0 0 "[ . 1 . 2 ]" 1
466 1 11 GLU HA 1 14 GLU H 0.000 . 5.000 3.900 3.373 4.188 . 0 0 "[ . 1 . 2 ]" 1
467 1 11 GLU QB 1 14 GLU H 0.000 . 6.000 5.033 4.758 5.413 . 0 0 "[ . 1 . 2 ]" 1
468 1 12 ILE HA 1 15 GLU QB 0.000 . 3.700 3.700 2.810 3.927 0.227 17 0 "[ . 1 . 2 ]" 1
469 1 12 ILE HA 1 15 GLU H 0.000 . 5.000 3.634 3.513 3.794 . 0 0 "[ . 1 . 2 ]" 1
470 1 13 LEU HA 1 16 LEU QB 0.000 . 4.300 3.591 2.439 4.357 0.057 18 0 "[ . 1 . 2 ]" 1
471 1 13 LEU HA 1 16 LEU HG 0.000 . 6.000 6.467 5.484 7.168 1.168 18 15 "[* ******1* * - *+** * ]" 1
472 1 13 LEU HA 1 16 LEU H 0.000 . 3.500 3.104 2.634 3.384 . 0 0 "[ . 1 . 2 ]" 1
473 1 13 LEU QD 1 16 LEU HG 0.000 . 7.500 4.917 4.065 5.800 . 0 0 "[ . 1 . 2 ]" 1
474 1 14 GLU HA 1 17 GLN H 0.000 . 3.500 5.203 4.718 6.157 2.657 12 24 [***********+***********-] 1
475 1 14 GLU QB 1 16 LEU QB 0.000 . 7.000 5.711 5.335 5.865 . 0 0 "[ . 1 . 2 ]" 1
476 1 14 GLU QB 1 17 GLN H 0.000 . 4.500 6.099 5.660 7.356 2.856 12 24 [***-*******+************] 1
477 1 21 LYS QG 1 23 THR H 0.000 . 6.500 5.127 2.042 7.594 1.094 15 3 "[ . 1 *+ - ]" 1
478 1 22 PHE QB 1 25 GLU QB 0.000 . 5.300 6.488 5.889 7.430 2.130 24 24 [****-******************+] 1
479 1 23 THR HA 1 27 LEU QB 0.000 . 6.000 6.928 5.431 8.238 2.238 3 20 "[**+ *** *1****-***** ***]" 1
480 1 24 GLU HA 1 27 LEU QB 0.000 . 6.000 3.286 2.459 5.335 . 0 0 "[ . 1 . 2 ]" 1
481 1 24 GLU QG 1 26 GLU QB 0.000 . 7.500 5.616 5.269 6.177 . 0 0 "[ . 1 . 2 ]" 1
482 1 24 GLU QG 1 27 LEU HG 0.000 . 7.500 6.879 5.160 7.892 0.392 10 0 "[ . 1 . 2 ]" 1
483 1 27 LEU HA 1 29 SER H 0.000 . 5.000 4.844 3.749 5.747 0.747 19 2 "[ . 1 . -+2 ]" 1
484 1 27 LEU HA 1 30 TRP QB 0.000 . 6.000 2.450 2.019 3.279 . 0 0 "[ . 1 . 2 ]" 1
485 1 27 LEU HA 1 30 TRP H 0.000 . 5.000 3.648 3.084 4.607 . 0 0 "[ . 1 . 2 ]" 1
486 1 28 SER HA 1 31 TYR QB 0.000 . 6.000 3.781 2.609 4.732 . 0 0 "[ . 1 . 2 ]" 1
487 1 28 SER HA 1 31 TYR H 0.000 . 5.000 4.089 3.070 4.727 . 0 0 "[ . 1 . 2 ]" 1
488 1 29 SER HA 1 32 GLN H 0.000 . 5.000 3.522 3.044 4.529 . 0 0 "[ . 1 . 2 ]" 1
489 1 30 TRP HA 1 33 SER QB 0.000 . 6.000 2.931 2.409 3.813 . 0 0 "[ . 1 . 2 ]" 1
490 1 30 TRP HA 1 33 SER H 0.000 . 5.000 3.765 3.299 4.318 . 0 0 "[ . 1 . 2 ]" 1
491 1 31 TYR HA 1 34 PHE QB 0.000 . 4.300 2.986 2.414 3.576 . 0 0 "[ . 1 . 2 ]" 1
492 1 31 TYR HA 1 34 PHE H 0.000 . 5.000 3.950 3.714 4.152 . 0 0 "[ . 1 . 2 ]" 1
493 1 31 TYR QD 1 35 LEU HA 0.000 . 5.000 6.316 5.410 6.880 1.880 6 23 "[*** *+*******-**********]" 1
494 1 32 GLN HA 1 35 LEU QB 0.000 . 6.000 2.506 2.174 2.985 . 0 0 "[ . 1 . 2 ]" 1
495 1 32 GLN QB 1 36 LYS QD 0.000 . 8.500 5.165 3.668 7.260 . 0 0 "[ . 1 . 2 ]" 1
496 1 32 GLN QE 1 36 LYS QD 0.000 . 6.800 5.901 2.861 8.847 2.047 4 4 "[- +. 1 * . * 2 ]" 1
497 1 33 SER HA 1 36 LYS QB 0.000 . 4.300 3.049 2.598 3.394 . 0 0 "[ . 1 . 2 ]" 1
498 1 33 SER HA 1 36 LYS QD 0.000 . 4.800 3.999 2.184 5.502 0.702 3 4 "[ + . -1* . 2* ]" 1
499 1 33 SER HA 1 36 LYS H 0.000 . 2.900 3.607 3.544 3.684 0.784 11 24 [**********+*********-***] 1
500 1 34 PHE HA 1 37 GLU QB 0.000 . 4.300 2.540 2.205 3.116 . 0 0 "[ . 1 . 2 ]" 1
501 1 34 PHE HA 1 37 GLU H 0.000 . 3.500 3.016 2.949 3.115 . 0 0 "[ . 1 . 2 ]" 1
502 1 35 LEU HA 1 38 CYS QB 0.000 . 6.000 4.474 3.684 5.231 . 0 0 "[ . 1 . 2 ]" 1
503 1 35 LEU HA 1 38 CYS H 0.000 . 2.900 3.608 3.368 3.847 0.947 22 23 "[********-**** *******+**]" 1
504 1 35 LEU QD 1 38 CYS QB 0.000 . 8.000 4.943 3.992 5.390 . 0 0 "[ . 1 . 2 ]" 1
505 1 36 LYS HA 1 39 PRO QB 0.000 . 6.000 5.200 4.252 5.666 . 0 0 "[ . 1 . 2 ]" 1
506 1 36 LYS QD 1 39 PRO QB 0.000 . 7.500 7.236 5.239 8.492 0.992 8 7 "[ * . *+ * .* - 2 *]" 1
507 1 36 LYS QD 1 40 SER HA 0.000 . 6.500 11.429 10.100 12.726 6.226 10 24 [*********+****-*********] 1
508 1 36 LYS QD 1 40 SER QB 0.000 . 7.500 10.471 9.120 11.719 4.219 10 24 [-********+**************] 1
509 1 37 GLU HA 1 40 SER HG 0.000 . 6.000 10.715 7.772 12.436 6.436 9 24 [********+*******-*******] 1
510 1 45 ARG H 1 48 PHE QB 0.000 . 6.000 4.716 4.215 5.223 . 0 0 "[ . 1 . 2 ]" 1
511 1 45 ARG H 1 48 PHE H 0.000 . 5.000 4.740 4.412 5.119 0.119 21 0 "[ . 1 . 2 ]" 1
512 1 46 GLN HA 1 49 GLN QB 0.000 . 6.000 4.394 3.547 5.123 . 0 0 "[ . 1 . 2 ]" 1
513 1 47 GLU HA 1 50 THR H 0.000 . 5.000 3.177 2.909 3.418 . 0 0 "[ . 1 . 2 ]" 1
514 1 48 PHE HA 1 51 ILE HB 0.000 . 3.300 3.801 2.848 4.516 1.216 18 12 "[*** * * - .**+** * ]" 1
515 1 48 PHE HA 1 51 ILE H 0.000 . 5.000 3.708 3.152 4.270 . 0 0 "[ . 1 . 2 ]" 1
516 1 49 GLN HA 1 52 TYR QD 0.000 . 6.500 4.698 3.503 5.790 . 0 0 "[ . 1 . 2 ]" 1
517 1 49 GLN HA 1 52 TYR H 0.000 . 5.000 3.653 2.958 4.449 . 0 0 "[ . 1 . 2 ]" 1
518 1 50 THR HA 1 53 SER QB 0.000 . 6.000 3.319 2.217 4.238 . 0 0 "[ . 1 . 2 ]" 1
519 1 51 ILE HA 1 54 LYS QB 0.000 . 6.000 3.814 2.729 6.225 0.225 18 0 "[ . 1 . 2 ]" 1
520 1 51 ILE HA 1 54 LYS H 0.000 . 5.000 3.840 3.205 4.818 . 0 0 "[ . 1 . 2 ]" 1
521 1 52 TYR HA 1 55 PHE QD 0.000 . 6.000 2.874 2.260 4.131 . 0 0 "[ . 1 . 2 ]" 1
522 1 52 TYR HA 1 55 PHE H 0.000 . 5.000 3.577 3.191 3.974 . 0 0 "[ . 1 . 2 ]" 1
523 1 52 TYR HA 1 56 PHE QD 0.000 . 7.000 3.915 2.958 5.012 . 0 0 "[ . 1 . 2 ]" 1
524 1 53 SER HA 1 56 PHE QB 0.000 . 6.000 3.985 3.051 5.381 . 0 0 "[ . 1 . 2 ]" 1
525 1 53 SER HA 1 57 PRO QD 0.000 . 7.000 5.568 4.121 8.265 1.265 23 2 "[ . 1 . 2 -+ ]" 1
526 1 57 PRO HA 1 60 ASP QB 0.000 . 6.500 8.154 6.512 10.868 4.368 21 16 "[** *. * *-* **** *+***]" 1
527 1 57 PRO QB 1 60 ASP QB 0.000 . 5.800 8.262 7.395 9.105 3.305 21 24 [****-***************+***] 1
528 1 57 PRO QD 1 60 ASP QB 0.000 . 8.500 8.565 8.077 8.984 0.484 1 0 "[ . 1 . 2 ]" 1
529 1 60 ASP QB 1 62 LYS QD 0.000 . 7.500 4.147 2.268 6.576 . 0 0 "[ . 1 . 2 ]" 1
530 1 61 PRO HA 1 63 ALA H 0.000 . 5.000 3.649 2.982 4.367 . 0 0 "[ . 1 . 2 ]" 1
531 1 61 PRO QB 1 64 TYR H 0.000 . 6.000 3.861 3.487 4.489 . 0 0 "[ . 1 . 2 ]" 1
532 1 62 LYS QB 1 64 TYR QB 0.000 . 7.500 5.854 5.166 6.294 . 0 0 "[ . 1 . 2 ]" 1
533 1 62 LYS QB 1 66 GLN QB 0.000 . 7.500 5.493 4.445 6.641 . 0 0 "[ . 1 . 2 ]" 1
534 1 63 ALA HA 1 66 GLN QB 0.000 . 4.800 3.256 2.671 3.818 . 0 0 "[ . 1 . 2 ]" 1
535 1 63 ALA HA 1 66 GLN H 0.000 . 3.500 3.787 3.385 4.057 0.557 13 2 "[- . 1 + . 2 ]" 1
536 1 64 TYR HA 1 67 HIS QB 0.000 . 6.000 2.700 2.264 3.190 . 0 0 "[ . 1 . 2 ]" 1
537 1 64 TYR HA 1 67 HIS H 0.000 . 5.000 3.346 3.130 3.590 . 0 0 "[ . 1 . 2 ]" 1
538 1 64 TYR QB 1 67 HIS QB 0.000 . 7.500 4.418 4.068 4.683 . 0 0 "[ . 1 . 2 ]" 1
539 1 65 ALA MB 1 68 VAL H 0.000 . 6.000 4.802 4.611 5.067 . 0 0 "[ . 1 . 2 ]" 1
540 1 66 GLN HA 1 69 PHE H 0.000 . 5.000 3.811 3.321 4.109 . 0 0 "[ . 1 . 2 ]" 1
541 1 67 HIS HA 1 70 ARG QB 0.000 . 6.000 4.231 3.536 4.890 . 0 0 "[ . 1 . 2 ]" 1
542 1 67 HIS HA 1 70 ARG H 0.000 . 5.000 4.134 3.627 4.816 . 0 0 "[ . 1 . 2 ]" 1
543 1 68 VAL HA 1 71 SER QB 0.000 . 6.000 2.563 2.148 3.369 . 0 0 "[ . 1 . 2 ]" 1
544 1 68 VAL HA 1 71 SER H 0.000 . 5.000 3.677 3.517 4.132 . 0 0 "[ . 1 . 2 ]" 1
545 1 69 PHE HA 1 72 PHE H 0.000 . 5.000 3.681 3.589 3.808 . 0 0 "[ . 1 . 2 ]" 1
546 1 70 ARG HA 1 73 ASP QB 0.000 . 6.000 3.509 2.839 5.106 . 0 0 "[ . 1 . 2 ]" 1
547 1 70 ARG HA 1 73 ASP H 0.000 . 3.500 3.572 2.704 6.371 2.871 8 3 "[ . *+ 1 . - 2 ]" 1
548 1 70 ARG HA 1 74 ALA H 0.000 . 5.000 4.003 3.271 4.512 . 0 0 "[ . 1 . 2 ]" 1
549 1 71 SER HA 1 74 ALA MB 0.000 . 6.000 5.312 3.858 6.540 0.540 21 2 "[ . 1 - . 2+ ]" 1
550 1 71 SER QB 1 75 ASN QB 0.000 . 5.800 9.011 8.072 9.757 3.957 19 24 [***********-******+*****] 1
551 1 77 ASP HA 1 79 THR H 0.000 . 5.000 3.885 3.063 4.222 . 0 0 "[ . 1 . 2 ]" 1
552 1 83 LYS HA 1 86 VAL HB 0.000 . 6.000 3.709 3.168 4.511 . 0 0 "[ . 1 . 2 ]" 1
553 1 83 LYS HA 1 86 VAL H 0.000 . 5.000 3.816 3.477 3.994 . 0 0 "[ . 1 . 2 ]" 1
554 1 83 LYS QE 1 87 ILE QG 0.000 . 6.800 4.003 2.602 5.646 . 0 0 "[ . 1 . 2 ]" 1
555 1 84 GLU HA 1 87 ILE HB 0.000 . 5.000 3.453 2.960 3.860 . 0 0 "[ . 1 . 2 ]" 1
556 1 84 GLU HA 1 87 ILE QG 0.000 . 6.500 2.657 2.178 4.324 . 0 0 "[ . 1 . 2 ]" 1
557 1 84 GLU HA 1 87 ILE H 0.000 . 5.000 3.590 3.315 4.283 . 0 0 "[ . 1 . 2 ]" 1
558 1 84 GLU QB 1 87 ILE H 0.000 . 6.000 4.993 4.694 5.665 . 0 0 "[ . 1 . 2 ]" 1
559 1 85 TYR HA 1 88 ALA H 0.000 . 5.000 3.554 3.411 3.630 . 0 0 "[ . 1 . 2 ]" 1
560 1 86 VAL HA 1 89 LEU QB 0.000 . 4.800 2.901 2.580 3.080 . 0 0 "[ . 1 . 2 ]" 1
561 1 86 VAL HA 1 89 LEU H 0.000 . 3.500 3.841 3.501 4.268 0.768 23 6 "[ * *- 1 .* * 2 + ]" 1
562 1 86 VAL HA 1 90 HIS HD1 0.000 . 6.500 6.377 4.430 7.510 1.010 10 7 "[ . * +* * * - * ]" 1
563 1 87 ILE HA 1 90 HIS HD1 0.000 . 6.500 3.849 1.670 5.726 . 0 0 "[ . 1 . 2 ]" 1
564 1 87 ILE HA 1 90 HIS HD2 0.000 . 6.500 5.370 2.687 7.095 0.595 23 1 "[ . 1 . 2 + ]" 1
565 1 87 ILE HA 1 90 HIS H 0.000 . 5.000 3.992 3.389 4.577 . 0 0 "[ . 1 . 2 ]" 1
566 1 88 ALA HA 1 91 MET QB 0.000 . 6.000 2.867 2.176 3.491 . 0 0 "[ . 1 . 2 ]" 1
567 1 89 LEU HA 1 92 THR H 0.000 . 5.000 3.785 3.209 4.227 . 0 0 "[ . 1 . 2 ]" 1
568 1 102 GLU HA 1 105 PHE QB 0.000 . 4.800 3.146 2.733 3.822 . 0 0 "[ . 1 . 2 ]" 1
569 1 103 TRP HA 1 106 SER H 0.000 . 3.500 3.868 3.496 4.252 0.752 20 4 "[ . * 1 . * + -]" 1
570 1 104 ALA HA 1 107 LEU QB 0.000 . 6.000 3.064 2.460 4.240 . 0 0 "[ . 1 . 2 ]" 1
571 1 104 ALA HA 1 107 LEU H 0.000 . 5.000 3.229 2.931 3.540 . 0 0 "[ . 1 . 2 ]" 1
572 1 105 PHE HA 1 108 TYR QB 0.000 . 6.000 2.975 2.302 3.674 . 0 0 "[ . 1 . 2 ]" 1
573 1 105 PHE HA 1 108 TYR QD 0.000 . 6.500 4.195 3.200 4.844 . 0 0 "[ . 1 . 2 ]" 1
574 1 105 PHE HA 1 108 TYR H 0.000 . 5.000 3.768 3.375 4.141 . 0 0 "[ . 1 . 2 ]" 1
575 1 106 SER HA 1 109 ASP QB 0.000 . 6.000 2.621 2.171 3.050 . 0 0 "[ . 1 . 2 ]" 1
576 1 107 LEU HA 1 110 VAL HB 0.000 . 6.000 7.395 6.563 8.170 2.170 20 24 [*****-*************+****] 1
577 1 107 LEU HA 1 110 VAL H 0.000 . 3.500 5.511 5.022 6.079 2.579 11 24 [*****-****+*************] 1
578 1 118 LYS H 1 121 VAL HB 0.000 . 3.900 5.334 4.776 5.690 1.790 4 24 [***+*********-**********] 1
579 1 119 ASN HA 1 122 LEU H 0.000 . 5.000 3.532 3.379 3.618 . 0 0 "[ . 1 . 2 ]" 1
580 1 120 GLU HA 1 123 GLU QB 0.000 . 6.000 3.467 2.813 4.463 . 0 0 "[ . 1 . 2 ]" 1
581 1 120 GLU HA 1 123 GLU H 0.000 . 3.500 3.523 3.308 3.643 0.143 24 0 "[ . 1 . 2 ]" 1
582 1 120 GLU QB 1 123 GLU QB 0.000 . 7.000 4.658 4.133 5.713 . 0 0 "[ . 1 . 2 ]" 1
583 1 121 VAL HA 1 124 ILE H 0.000 . 3.500 3.591 3.329 4.120 0.620 1 1 "[+ . 1 . 2 ]" 1
584 1 122 LEU HA 1 125 VAL HB 0.000 . 5.000 2.824 2.259 3.458 . 0 0 "[ . 1 . 2 ]" 1
585 1 122 LEU HA 1 125 VAL H 0.000 . 5.000 3.711 3.473 4.035 . 0 0 "[ . 1 . 2 ]" 1
586 1 123 GLU HA 1 126 THR HB 0.000 . 5.000 2.618 2.197 3.223 . 0 0 "[ . 1 . 2 ]" 1
587 1 123 GLU HA 1 126 THR H 0.000 . 5.000 3.516 3.127 3.909 . 0 0 "[ . 1 . 2 ]" 1
588 1 124 ILE HA 1 127 ALA H 0.000 . 5.000 3.829 3.525 4.054 . 0 0 "[ . 1 . 2 ]" 1
589 1 124 ILE HB 1 128 ILE HB 0.000 . 5.800 6.174 5.554 7.359 1.559 5 8 "[- +* 1 * . ***2 *]" 1
590 1 125 VAL HA 1 128 ILE HB 0.000 . 4.800 2.819 2.422 3.199 . 0 0 "[ . 1 . 2 ]" 1
591 1 125 VAL HA 1 128 ILE H 0.000 . 5.000 3.679 3.451 4.063 . 0 0 "[ . 1 . 2 ]" 1
592 1 125 VAL QG 1 128 ILE HB 0.000 . 6.300 3.668 3.370 3.986 . 0 0 "[ . 1 . 2 ]" 1
593 1 125 VAL QG 1 129 PHE QD 0.000 . 5.700 3.359 2.591 3.830 . 0 0 "[ . 1 . 2 ]" 1
594 1 126 THR HA 1 129 PHE QD 0.000 . 4.800 4.206 2.761 4.551 . 0 0 "[ . 1 . 2 ]" 1
595 1 126 THR HA 1 129 PHE H 0.000 . 5.000 3.491 3.179 3.953 . 0 0 "[ . 1 . 2 ]" 1
596 1 126 THR HB 1 129 PHE QD 0.000 . 6.500 6.783 5.656 7.078 0.578 6 4 "[ .+ 1 . - ** ]" 1
597 1 126 THR MG 1 129 PHE QD 0.000 . 8.000 4.854 4.264 5.530 . 0 0 "[ . 1 . 2 ]" 1
598 1 126 THR MG 1 130 LYS QB 0.000 . 7.500 4.548 3.400 5.184 . 0 0 "[ . 1 . 2 ]" 1
599 1 126 THR MG 1 130 LYS QD 0.000 . 6.200 3.780 2.708 4.896 . 0 0 "[ . 1 . 2 ]" 1
600 1 126 THR MG 1 130 LYS QE 0.000 . 6.800 3.575 2.458 4.852 . 0 0 "[ . 1 . 2 ]" 1
601 1 127 ALA HA 1 130 LYS QB 0.000 . 6.000 3.137 2.499 3.684 . 0 0 "[ . 1 . 2 ]" 1
602 1 127 ALA HA 1 130 LYS H 0.000 . 5.000 3.509 3.336 3.645 . 0 0 "[ . 1 . 2 ]" 1
603 1 128 ILE HA 1 131 MET QB 0.000 . 6.000 2.597 2.192 3.028 . 0 0 "[ . 1 . 2 ]" 1
604 1 128 ILE HA 1 131 MET ME 0.000 . 6.000 5.153 4.156 5.493 . 0 0 "[ . 1 . 2 ]" 1
605 1 128 ILE HB 1 131 MET QG 0.000 . 7.500 6.598 4.862 7.277 . 0 0 "[ . 1 . 2 ]" 1
606 1 129 PHE HA 1 132 ILE HB 0.000 . 6.000 2.944 2.551 3.685 . 0 0 "[ . 1 . 2 ]" 1
607 1 129 PHE HA 1 132 ILE QG 0.000 . 6.000 2.647 2.133 3.442 . 0 0 "[ . 1 . 2 ]" 1
608 1 129 PHE HA 1 132 ILE H 0.000 . 5.000 3.363 3.224 3.658 . 0 0 "[ . 1 . 2 ]" 1
609 1 130 LYS HA 1 133 SER H 0.000 . 5.000 6.966 6.111 8.053 3.053 20 24 [***********-*******+****] 1
610 1 135 GLU HA 1 138 LYS QG 0.000 . 6.500 4.587 2.350 6.348 . 0 0 "[ . 1 . 2 ]" 1
611 1 135 GLU HA 1 138 LYS H 0.000 . 5.000 4.282 3.847 4.745 . 0 0 "[ . 1 . 2 ]" 1
612 1 137 THR HA 1 140 LEU QB 0.000 . 6.000 4.270 3.550 4.905 . 0 0 "[ . 1 . 2 ]" 1
613 1 137 THR H 1 139 HIS H 0.000 . 5.000 4.269 3.836 4.568 . 0 0 "[ . 1 . 2 ]" 1
614 1 138 LYS HA 1 141 PRO QD 0.000 . 4.200 7.319 3.840 7.856 3.656 17 23 [*-**************+**2****] 1
615 1 138 LYS QG 1 141 PRO QD 0.000 . 5.700 8.115 4.225 9.005 3.305 7 23 [******+*******-****2****] 1
616 1 143 ASP HA 1 146 THR HB 0.000 . 6.000 9.161 6.281 10.646 4.646 13 23 "[**-*********+***** *****]" 1
617 1 147 PRO QG 1 150 ARG HE 0.000 . 5.800 8.114 5.896 10.623 4.823 12 23 [*********1*+*******-****] 1
618 1 147 PRO QG 1 150 ARG H 0.000 . 6.500 5.845 5.466 6.208 . 0 0 "[ . 1 . 2 ]" 1
619 1 148 GLU HA 1 151 ALA MB 0.000 . 4.300 2.641 2.152 3.112 . 0 0 "[ . 1 . 2 ]" 1
620 1 148 GLU HA 1 151 ALA H 0.000 . 5.000 3.728 3.278 4.079 . 0 0 "[ . 1 . 2 ]" 1
621 1 149 LYS HA 1 152 GLU QB 0.000 . 4.800 3.688 2.620 4.855 0.055 19 0 "[ . 1 . 2 ]" 1
622 1 149 LYS HA 1 152 GLU H 0.000 . 5.000 4.094 3.785 4.389 . 0 0 "[ . 1 . 2 ]" 1
623 1 151 ALA HA 1 154 ILE HB 0.000 . 6.000 3.315 3.132 3.392 . 0 0 "[ . 1 . 2 ]" 1
624 1 151 ALA HA 1 154 ILE H 0.000 . 2.900 3.680 3.486 3.868 0.968 2 24 [*+******-***************] 1
625 1 151 ALA HA 1 155 TRP HD1 0.000 . 6.500 7.296 4.966 7.806 1.306 23 21 "[***** ** 1**********-*+*]" 1
626 1 151 ALA MB 1 154 ILE H 0.000 . 4.500 4.917 4.711 5.131 0.631 2 5 "[ + -* 1 .* *2 ]" 1
627 1 152 GLU HA 1 155 TRP HD1 0.000 . 4.800 4.314 3.694 5.219 0.419 10 0 "[ . 1 . 2 ]" 1
628 1 152 GLU HA 1 155 TRP H 0.000 . 5.000 4.120 3.352 4.588 . 0 0 "[ . 1 . 2 ]" 1
629 1 152 GLU QB 1 155 TRP HD1 0.000 . 6.300 5.912 4.761 6.949 0.649 10 1 "[ . + . 2 ]" 1
630 1 152 GLU QB 1 155 TRP H 0.000 . 6.500 5.628 5.143 6.018 . 0 0 "[ . 1 . 2 ]" 1
631 1 152 GLU H 1 155 TRP HD1 0.000 . 6.500 6.965 6.544 7.404 0.904 22 11 "[* *. * 1* **. *- 2*+* ]" 1
632 1 153 LYS HA 1 156 GLY H 0.000 . 5.000 3.849 3.473 4.509 . 0 0 "[ . 1 . 2 ]" 1
633 1 155 TRP HA 1 158 PHE QB 0.000 . 6.000 3.640 3.084 4.956 . 0 0 "[ . 1 . 2 ]" 1
634 1 155 TRP HA 1 158 PHE QD 0.000 . 7.000 3.030 2.204 4.830 . 0 0 "[ . 1 . 2 ]" 1
635 1 155 TRP HA 1 158 PHE H 0.000 . 5.000 3.811 3.248 4.793 . 0 0 "[ . 1 . 2 ]" 1
636 1 157 PHE HA 1 160 LYS H 0.000 . 6.000 7.645 6.721 8.620 2.620 7 24 [******+*******-*********] 1
637 1 161 LYS HA 1 165 LYS HA 0.000 . 5.000 8.381 6.504 10.186 5.186 7 24 [******+******-**********] 1
638 1 161 LYS HA 1 165 LYS QB 0.000 . 6.000 9.158 7.929 10.942 4.942 10 24 [*********+*************-] 1
639 1 161 LYS QB 1 165 LYS QB 0.000 . 7.000 8.661 7.843 9.406 2.406 2 24 [*+*********************-] 1
640 1 161 LYS QD 1 165 LYS HA 0.000 . 6.000 9.452 7.487 10.574 4.574 20 24 [***-***************+****] 1
641 1 161 LYS QD 1 165 LYS QB 0.000 . 7.000 9.739 7.462 11.029 4.029 20 23 "[*** ******-********+****]" 1
642 1 161 LYS QG 1 165 LYS QB 0.000 . 7.000 9.351 7.393 10.451 3.451 10 23 [***-.****+**************] 1
643 1 162 ASP H 1 165 LYS QB 0.000 . 6.000 8.942 8.215 10.080 4.080 12 24 [********-**+************] 1
644 1 168 GLU H 1 171 PHE QB 0.000 . 4.500 4.251 3.949 4.687 0.187 23 0 "[ . 1 . 2 ]" 1
645 1 168 GLU H 1 171 PHE H 0.000 . 5.000 4.750 4.357 5.075 0.075 8 0 "[ . 1 . 2 ]" 1
646 1 169 LYS HA 1 172 ILE HB 0.000 . 6.000 4.242 3.660 4.451 . 0 0 "[ . 1 . 2 ]" 1
647 1 169 LYS HA 1 172 ILE H 0.000 . 5.000 4.298 3.827 4.613 . 0 0 "[ . 1 . 2 ]" 1
648 1 170 GLU HA 1 173 GLU QG 0.000 . 6.500 2.523 2.190 2.922 . 0 0 "[ . 1 . 2 ]" 1
649 1 170 GLU HA 1 173 GLU H 0.000 . 5.000 2.683 2.500 2.797 . 0 0 "[ . 1 . 2 ]" 1
650 1 171 PHE HA 1 174 GLY H 0.000 . 5.000 4.147 3.781 4.692 . 0 0 "[ . 1 . 2 ]" 1
651 1 171 PHE QB 1 174 GLY H 0.000 . 4.500 5.543 5.243 5.998 1.498 23 24 [******************-***+*] 1
652 1 173 GLU HA 1 176 LEU H 0.000 . 5.000 2.675 2.557 2.832 . 0 0 "[ . 1 . 2 ]" 1
653 1 173 GLU QG 1 177 ALA MB 0.000 . 5.800 6.056 5.302 6.608 0.808 24 7 "[* *. - * *. * +]" 1
654 1 175 THR HA 1 178 ASN QB 0.000 . 5.800 4.185 2.684 5.512 . 0 0 "[ . 1 . 2 ]" 1
655 1 176 LEU HA 1 179 LYS H 0.000 . 5.000 6.771 5.687 7.790 2.790 18 24 [***********-*****+******] 1
656 1 179 LYS HA 1 182 LEU QD 0.000 . 6.500 3.568 2.012 4.829 . 0 0 "[ . 1 . 2 ]" 1
657 1 179 LYS QB 1 182 LEU QD 0.000 . 7.500 4.125 2.607 5.846 . 0 0 "[ . 1 . 2 ]" 1
658 1 179 LYS H 1 182 LEU QD 0.000 . 6.500 5.770 4.388 6.834 0.334 7 0 "[ . 1 . 2 ]" 1
659 1 180 GLU HA 1 183 ARG H 0.000 . 5.000 3.907 3.544 4.956 . 0 0 "[ . 1 . 2 ]" 1
660 1 181 ILE HA 1 184 LEU H 0.000 . 5.000 3.499 3.078 3.955 . 0 0 "[ . 1 . 2 ]" 1
661 1 182 LEU HA 1 185 ILE MD 0.000 . 6.500 3.565 2.751 3.908 . 0 0 "[ . 1 . 2 ]" 1
662 1 182 LEU HA 1 185 ILE H 0.000 . 5.000 4.290 3.660 4.809 . 0 0 "[ . 1 . 2 ]" 1
663 1 182 LEU HA 1 186 GLN QG 0.000 . 6.500 5.304 3.222 7.242 0.742 9 1 "[ . +1 . 2 ]" 1
664 1 182 LEU QD 1 186 GLN QG 0.000 . 7.500 4.054 2.326 5.756 . 0 0 "[ . 1 . 2 ]" 1
665 1 183 ARG HA 1 186 GLN H 0.000 . 5.000 4.370 3.803 4.941 . 0 0 "[ . 1 . 2 ]" 1
666 1 184 LEU HA 1 187 PHE H 0.000 . 5.000 7.424 5.363 8.126 3.126 13 23 "[******* *-**+***********]" 1
667 1 9 SER HA 1 84 GLU QB 0.000 . 6.000 11.827 10.938 12.863 6.863 19 24 [******************+****-] 1
668 1 10 LYS QB 1 25 GLU QB 0.000 . 7.000 10.851 8.149 12.536 5.536 10 24 [******-**+**************] 1
669 1 13 LEU HA 1 84 GLU QG 0.000 . 6.000 11.624 10.619 12.410 6.410 1 24 [+*************-*********] 1
670 1 13 LEU QD 1 83 LYS QE 0.000 . 8.500 7.774 6.781 8.915 0.415 17 0 "[ . 1 . 2 ]" 1
671 1 13 LEU QD 1 84 GLU HA 0.000 . 6.500 10.431 9.664 11.267 4.767 4 24 [***+**********-*********] 1
672 1 13 LEU QD 1 84 GLU QB 0.000 . 7.500 10.920 10.302 11.639 4.139 17 24 [**************-*+*******] 1
673 1 13 LEU QD 1 87 ILE HA 0.000 . 6.500 8.630 7.918 9.704 3.204 4 24 [*-*+********************] 1
674 1 13 LEU QD 1 87 ILE HB 0.000 . 6.500 10.257 9.463 11.305 4.805 4 24 [***+*******-************] 1
675 1 13 LEU QD 1 87 ILE MG 0.000 . 8.000 8.085 7.478 8.894 0.894 4 4 "[ +.* * 1 . - 2 ]" 1
676 1 36 LYS QD 1 42 ARG HA 0.000 . 5.800 14.789 12.946 16.187 10.387 10 24 [*********+***********-**] 1
677 1 36 LYS QD 1 42 ARG H 0.000 . 6.500 13.364 11.380 15.045 8.545 17 24 [****************+****-**] 1
678 1 43 ILE HA 1 82 PHE HA 0.000 . 5.000 8.329 7.585 9.260 4.260 4 24 [***+********-***********] 1
679 1 43 ILE HB 1 80 LEU HA 0.000 . 6.000 4.860 4.515 5.251 . 0 0 "[ . 1 . 2 ]" 1
680 1 43 ILE HB 1 82 PHE HA 0.000 . 6.000 6.562 5.775 7.833 1.833 4 10 "[ +. ***- * . ***2 *]" 1
681 1 43 ILE MD 1 82 PHE HA 0.000 . 6.000 4.065 3.339 4.927 . 0 0 "[ . 1 . 2 ]" 1
682 1 43 ILE MD 1 82 PHE QB 0.000 . 7.000 5.015 4.113 6.011 . 0 0 "[ . 1 . 2 ]" 1
683 1 43 ILE QG 1 82 PHE HA 0.000 . 6.000 4.943 4.446 5.594 . 0 0 "[ . 1 . 2 ]" 1
684 1 43 ILE QG 1 82 PHE QB 0.000 . 7.000 5.376 4.613 6.114 . 0 0 "[ . 1 . 2 ]" 1
685 1 44 THR HB 1 81 ASP H 0.000 . 5.000 11.160 10.708 11.572 6.572 7 24 [*****-+*****************] 1
686 1 44 THR MG 1 49 GLN HA 0.000 . 4.800 9.683 8.920 10.262 5.462 7 24 [******+*****-***********] 1
687 1 44 THR MG 1 49 GLN QB 0.000 . 5.800 8.051 6.897 9.070 3.270 1 24 [+***********-***********] 1
688 1 44 THR MG 1 70 ARG HE 0.000 . 6.800 10.587 8.049 13.886 7.086 14 24 [***********-*+**********] 1
689 1 44 THR MG 1 81 ASP QB 0.000 . 7.500 9.136 8.764 9.646 2.146 3 24 [**+****-****************] 1
690 1 44 THR MG 1 86 VAL HB 0.000 . 7.500 15.283 14.702 15.870 8.370 13 24 [*****-******+***********] 1
691 1 44 THR H 1 81 ASP H 0.000 . 5.000 9.046 8.699 9.318 4.318 7 24 [******+*****-***********] 1
692 1 45 ARG HA 1 80 LEU HA 0.000 . 5.000 8.261 7.491 9.109 4.109 19 24 [-*****************+*****] 1
693 1 45 ARG QG 1 80 LEU HA 0.000 . 6.500 9.014 7.643 9.951 3.451 2 24 [-+**********************] 1
694 1 46 GLN HA 1 70 ARG QB 0.000 . 6.000 11.310 9.259 13.263 7.263 17 24 [******-*********+*******] 1
695 1 46 GLN QG 1 67 HIS HA 0.000 . 6.000 11.300 9.785 12.885 6.885 8 24 [*****-*+****************] 1
696 1 49 GLN QB 1 70 ARG QB 0.000 . 7.000 10.940 8.999 12.434 5.434 15 24 [******-*******+*********] 1
697 1 50 THR HA 1 66 GLN QB 0.000 . 4.800 10.061 9.514 10.834 6.034 21 24 [**********-*********+***] 1
698 1 50 THR HG1 1 63 ALA HA 0.000 . 6.000 10.722 9.900 11.721 5.721 21 24 [**-*****************+***] 1
699 1 50 THR H 1 66 GLN QB 0.000 . 6.500 8.390 8.146 8.768 2.268 15 24 [**********-***+*********] 1
700 1 52 TYR QD 1 86 VAL HB 0.000 . 7.500 12.762 11.963 13.617 6.117 22 24 [*********-***********+**] 1
701 1 52 TYR QD 1 90 HIS HD1 0.000 . 8.000 12.640 10.612 14.688 6.688 22 24 [********-************+**] 1
702 1 52 TYR QD 1 90 HIS HD2 0.000 . 8.000 12.594 10.392 14.258 6.258 19 24 [*****-************+*****] 1
703 1 53 SER HA 1 90 HIS HD1 0.000 . 6.500 19.412 17.467 21.039 14.539 22 24 [********-************+**] 1
704 1 53 SER QB 1 62 LYS QB 0.000 . 7.000 6.314 4.115 9.941 2.941 18 4 "[ . 1 . -+ 2** ]" 1
705 1 53 SER QB 1 66 GLN QB 0.000 . 5.800 9.860 8.589 12.121 6.321 21 24 [********************+*-*] 1
706 1 60 ASP HA 1 132 ILE HA 0.000 . 5.000 8.831 8.530 9.329 4.329 5 24 [****+*-*****************] 1
707 1 60 ASP QB 1 131 MET HA 0.000 . 6.500 4.321 3.567 5.218 . 0 0 "[ . 1 . 2 ]" 1
708 1 60 ASP QB 1 132 ILE HA 0.000 . 4.800 7.593 6.718 8.517 3.717 3 24 [**+*****************-***] 1
709 1 60 ASP QB 1 132 ILE H 0.000 . 6.500 6.121 5.028 7.367 0.867 3 1 "[ + . 1 . 2 ]" 1
710 1 60 ASP QB 1 133 SER H 0.000 . 6.500 7.611 6.121 8.496 1.996 5 19 "[*** +* **-* ****** ** **]" 1
711 1 60 ASP QB 1 134 PRO QB 0.000 . 7.500 8.519 7.118 9.512 2.012 23 19 "[*-* . ********** **** +*]" 1
712 1 60 ASP H 1 132 ILE HA 0.000 . 5.000 5.971 5.572 6.453 1.453 5 24 [****+*-*****************] 1
713 1 61 PRO QB 1 131 MET QB 0.000 . 7.000 2.937 2.167 4.021 . 0 0 "[ . 1 . 2 ]" 1
714 1 61 PRO QB 1 131 MET QG 0.000 . 7.000 2.779 2.097 4.196 . 0 0 "[ . 1 . 2 ]" 1
715 1 62 LYS HA 1 132 ILE HA 0.000 . 5.000 12.291 12.122 12.701 7.701 5 24 [****+********-**********] 1
716 1 62 LYS HA 1 132 ILE QG 0.000 . 6.000 10.455 10.266 10.708 4.708 5 24 [****+******-************] 1
717 1 63 ALA H 1 132 ILE HA 0.000 . 5.000 10.554 10.151 11.154 6.154 18 24 [*****************+-*****] 1
718 1 64 TYR QB 1 128 ILE HB 0.000 . 5.700 5.510 4.906 6.129 0.429 18 0 "[ . 1 . 2 ]" 1
719 1 64 TYR QB 1 131 MET ME 0.000 . 7.500 3.769 2.879 4.199 . 0 0 "[ . 1 . 2 ]" 1
720 1 64 TYR H 1 128 ILE HB 0.000 . 6.500 8.018 7.413 8.610 2.110 5 24 [*-**+*******************] 1
721 1 65 ALA HA 1 128 ILE HB 0.000 . 4.800 11.113 10.490 11.774 6.974 5 24 [****+**-****************] 1
722 1 65 ALA MB 1 128 ILE HB 0.000 . 5.800 10.193 9.709 10.780 4.980 5 24 [****+**-****************] 1
723 1 65 ALA H 1 128 ILE HB 0.000 . 6.500 9.775 9.221 10.403 3.903 5 24 [****+**-****************] 1
724 1 65 ALA H 1 131 MET QG 0.000 . 6.000 6.613 4.847 7.547 1.547 1 18 "[+** .*** *****.** -****]" 1
725 1 68 VAL HA 1 108 TYR QD 0.000 . 6.500 8.278 7.382 9.721 3.221 19 24 [******-***********+*****] 1
726 1 68 VAL HB 1 108 TYR QD 0.000 . 5.800 10.459 8.173 12.076 6.276 19 24 [******-***********+*****] 1
727 1 68 VAL HB 1 125 VAL HA 0.000 . 6.000 13.441 12.183 14.278 8.278 19 24 [******-***********+*****] 1
728 1 68 VAL HB 1 128 ILE HB 0.000 . 5.800 12.415 11.278 13.368 7.568 19 24 [******-***********+*****] 1
729 1 69 PHE HA 1 108 TYR HA 0.000 . 5.000 11.696 10.904 12.288 7.288 20 24 [**********-********+****] 1
730 1 69 PHE HA 1 108 TYR QD 0.000 . 4.800 12.107 11.293 12.967 8.167 4 24 [***+******-*************] 1
731 1 70 ARG HE 1 80 LEU H 0.000 . 7.000 11.932 10.262 14.013 7.013 21 24 [****-***************+***] 1
732 1 70 ARG HE 1 81 ASP H 0.000 . 7.000 13.939 12.205 15.711 8.711 14 24 [**-**********+**********] 1
733 1 72 PHE HA 1 108 TYR HA 0.000 . 5.000 11.744 10.459 12.765 7.765 22 24 [******-**************+**] 1
734 1 72 PHE QB 1 108 TYR QD 0.000 . 7.500 10.141 8.951 11.315 3.815 22 24 [******-**************+**] 1
735 1 72 PHE H 1 108 TYR QB 0.000 . 6.000 10.247 9.866 11.217 5.217 22 24 [******-**************+**] 1
736 1 102 GLU HA 1 173 GLU QG 0.000 . 6.500 8.351 7.749 9.127 2.627 14 24 [*********-***+**********] 1
737 1 102 GLU QB 1 173 GLU QG 0.000 . 7.500 8.118 7.212 9.437 1.937 14 12 "[* ** **1** +. ** 2* -]" 1
738 1 105 PHE QB 1 172 ILE MD 0.000 . 8.500 4.588 3.869 5.046 . 0 0 "[ . 1 . 2 ]" 1
739 1 108 TYR QD 1 125 VAL QG 0.000 . 6.300 5.128 4.465 5.938 . 0 0 "[ . 1 . 2 ]" 1
740 1 108 TYR QD 1 188 GLU QB 0.000 . 7.500 9.729 6.823 10.877 3.377 3 23 "[**+ ****************-***]" 1
741 1 109 ASP HA 1 125 VAL QG 0.000 . 6.500 8.979 8.200 9.836 3.336 3 24 [**+****************-****] 1
742 1 110 VAL HA 1 117 SER HA 0.000 . 5.000 11.886 11.228 12.482 7.482 7 24 [******+************-****] 1
743 1 110 VAL HA 1 121 VAL HB 0.000 . 6.000 11.101 9.834 11.702 5.702 10 24 [*********+*********-****] 1
744 1 111 ASP H 1 121 VAL HA 0.000 . 5.000 8.332 7.816 8.787 3.787 15 24 [**************+****-****] 1
745 1 116 ILE HA 1 166 LEU QB 0.000 . 4.300 4.830 4.563 4.995 0.695 9 17 "[* * ** *+*****. *-* ***]" 1
746 1 116 ILE HA 1 167 THR HB 0.000 . 6.000 8.997 7.424 9.582 3.582 24 24 [****-******************+] 1
747 1 116 ILE HA 1 168 GLU HA 0.000 . 5.000 8.271 7.591 8.838 3.838 13 24 [************+******-****] 1
748 1 116 ILE HA 1 168 GLU QG 0.000 . 6.500 8.300 6.776 10.012 3.512 2 20 "[*+* *** ******.* ******-]" 1
749 1 116 ILE HA 1 169 LYS H 0.000 . 5.000 10.166 9.712 11.058 6.058 3 24 [**+**********-**********] 1
750 1 116 ILE HB 1 166 LEU HA 0.000 . 5.000 4.933 4.513 5.162 0.162 20 0 "[ . 1 . 2 ]" 1
751 1 116 ILE HB 1 166 LEU QB 0.000 . 3.700 2.201 2.029 2.390 . 0 0 "[ . 1 . 2 ]" 1
752 1 116 ILE HB 1 166 LEU HG 0.000 . 4.300 4.273 3.452 4.897 0.597 10 1 "[ . + . 2 ]" 1
753 1 116 ILE HB 1 167 THR H 0.000 . 5.000 5.697 5.209 6.007 1.007 21 21 "[****.* ***** -******+***]" 1
754 1 116 ILE HB 1 168 GLU QG 0.000 . 6.500 7.621 5.925 9.115 2.615 2 16 "[ +* *- ******.* **** * ]" 1
755 1 116 ILE MG 1 166 LEU QB 0.000 . 5.800 3.377 2.870 3.612 . 0 0 "[ . 1 . 2 ]" 1
756 1 116 ILE MG 1 168 GLU HA 0.000 . 4.800 7.273 6.736 7.616 2.816 22 24 [*******************-*+**] 1
757 1 116 ILE MG 1 168 GLU QG 0.000 . 5.700 7.767 6.422 8.775 3.075 2 24 [*+****-*****************] 1
758 1 116 ILE H 1 168 GLU HA 0.000 . 5.000 6.286 5.563 7.127 2.127 7 24 [*****-+*****************] 1
759 1 117 SER H 1 167 THR HB 0.000 . 6.000 10.672 8.962 11.273 5.273 24 24 [****-******************+] 1
760 1 117 SER H 1 167 THR H 0.000 . 3.500 9.026 8.822 9.223 5.723 8 24 [*******+*****-**********] 1
761 1 117 SER H 1 168 GLU QG 0.000 . 6.500 10.209 8.694 11.882 5.382 2 24 [*+*****-****************] 1
762 1 118 LYS HA 1 166 LEU HA 0.000 . 5.000 9.825 9.424 10.212 5.212 2 24 [*+*-********************] 1
763 1 118 LYS HA 1 167 THR HB 0.000 . 6.000 14.132 12.793 14.750 8.750 2 24 [*+**-*******************] 1
764 1 126 THR HG1 1 152 GLU HA 0.000 . 6.500 11.766 10.117 13.148 6.648 9 24 [*******-+***************] 1
765 1 126 THR MG 1 148 GLU HA 0.000 . 4.800 7.207 6.138 7.928 3.128 7 24 [******+************-****] 1
766 1 126 THR MG 1 151 ALA MB 0.000 . 5.200 6.684 5.900 7.407 2.207 9 24 [*******-+***************] 1
767 1 126 THR MG 1 152 GLU HA 0.000 . 6.500 11.968 10.990 12.760 6.260 9 24 [*******-+***************] 1
768 1 126 THR MG 1 152 GLU H 0.000 . 6.500 10.130 9.102 10.823 4.323 9 24 [*******-+***************] 1
769 1 126 THR MG 1 155 TRP HD1 0.000 . 6.300 13.934 12.495 14.899 8.599 1 24 [+********-**************] 1
770 1 127 ALA HA 1 148 GLU QB 0.000 . 6.000 11.646 10.384 12.997 6.997 21 24 [**********-*********+***] 1
771 1 127 ALA HA 1 148 GLU QG 0.000 . 6.000 11.490 9.695 13.040 7.040 7 24 [******+*********-*******] 1
772 1 129 PHE QD 1 155 TRP HD1 0.000 . 6.300 14.857 12.703 15.962 9.662 19 24 [*********-********+*****] 1
773 1 129 PHE QD 1 188 GLU HA 0.000 . 4.800 12.161 9.479 14.050 9.250 12 24 [*-*********+************] 1
774 1 129 PHE QD 1 188 GLU QB 0.000 . 5.800 10.565 6.494 13.737 7.937 19 24 [*-****************+*****] 1
775 1 130 LYS QB 1 147 PRO HA 0.000 . 6.000 9.313 8.340 10.292 4.292 13 24 [************+*-*********] 1
776 1 130 LYS QB 1 148 GLU HA 0.000 . 6.000 12.620 11.288 13.731 7.731 13 24 [************+*********-*] 1
777 1 130 LYS QB 1 148 GLU QG 0.000 . 7.000 11.707 10.280 13.105 6.105 10 24 [*********+******-*******] 1
778 1 130 LYS QD 1 138 LYS QG 0.000 . 6.800 12.355 10.072 15.041 8.241 20 24 [*-*****************+****] 1
779 1 130 LYS QD 1 141 PRO QD 0.000 . 8.500 13.371 11.623 15.191 6.691 20 24 [**********-********+****] 1
780 1 130 LYS QD 1 147 PRO HA 0.000 . 7.000 8.933 7.660 10.260 3.260 13 24 [**-*********+***********] 1
781 1 130 LYS QD 1 148 GLU HA 0.000 . 7.000 11.844 9.842 13.248 6.248 13 24 [**********-*+***********] 1
782 1 130 LYS QD 1 148 GLU QG 0.000 . 8.000 10.685 8.351 12.631 4.631 7 23 "[******+*** *****-*******]" 1
783 1 130 LYS QE 1 138 LYS QG 0.000 . 6.800 13.092 11.066 15.539 8.739 14 24 [*************+**-*******] 1
784 1 130 LYS QE 1 141 PRO QD 0.000 . 6.800 14.161 13.397 15.058 8.258 10 24 [*********+-*************] 1
785 1 130 LYS QE 1 148 GLU HA 0.000 . 7.000 11.830 10.356 13.928 6.928 9 24 [*-******+***************] 1
786 1 138 LYS QG 1 146 THR HB 0.000 . 7.500 12.521 7.918 15.270 7.770 9 23 "[*-* ****+***************]" 1
787 1 141 PRO QD 1 146 THR HA 0.000 . 4.800 9.136 7.689 10.577 5.777 24 24 [**************-********+] 1
788 1 141 PRO QD 1 146 THR HB 0.000 . 7.500 10.648 9.386 11.987 4.487 24 24 [**************-********+] 1
789 1 145 ASN HA 1 151 ALA H 0.000 . 5.000 8.599 7.528 9.600 4.600 17 24 [*********-******+*******] 1
790 1 155 TRP HD1 1 186 GLN HA 0.000 . 6.500 17.593 11.839 18.876 12.376 6 24 [*****+***-**************] 1
791 1 155 TRP H 1 185 ILE MD 0.000 . 7.400 8.512 7.523 9.645 2.245 21 21 "[** ******1-*********+ **]" 1
792 1 158 PHE HA 1 182 LEU QD 0.000 . 6.500 10.258 8.654 11.282 4.782 6 24 [*****+*-****************] 1
793 1 158 PHE QB 1 182 LEU QD 0.000 . 5.800 9.796 8.698 10.656 4.856 6 24 [*****+*-****************] 1
794 1 158 PHE QD 1 182 LEU QD 0.000 . 8.500 8.489 7.417 9.338 0.838 20 4 "[ .* 1 . *-+ ]" 1
795 1 161 LYS QD 1 167 THR HB 0.000 . 5.300 14.842 8.880 16.351 11.051 20 24 [***-***************+****] 1
796 1 161 LYS QE 1 167 THR HB 0.000 . 7.000 15.887 9.506 18.270 11.270 20 24 [***-***************+****] 1
797 1 175 THR HA 1 182 LEU QD 0.000 . 7.500 4.883 3.758 6.513 . 0 0 "[ . 1 . 2 ]" 1
798 1 176 LEU HA 1 182 LEU QD 0.000 . 4.800 4.553 3.105 6.812 2.012 19 3 "[ . * 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 60
_Distance_constraint_stats_list.Viol_count 642
_Distance_constraint_stats_list.Viol_total 34959.930
_Distance_constraint_stats_list.Viol_max 8.700
_Distance_constraint_stats_list.Viol_rms 2.1271
_Distance_constraint_stats_list.Viol_average_all_restraints 1.0116
_Distance_constraint_stats_list.Viol_average_violations_only 2.2689
_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 44 THR 308.555 7.945 6 24 [-****+******************]
1 81 ASP 308.555 7.945 6 24 [-****+******************]
1 85 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 VAL 0.028 0.028 4 0 "[ . 1 . 2 ]"
1 87 ILE 0.245 0.067 2 0 "[ . 1 . 2 ]"
1 88 ALA 1.221 0.142 22 0 "[ . 1 . 2 ]"
1 89 LEU 54.640 3.974 24 19 "[***** ** ** *-** *** **+]"
1 90 HIS 0.028 0.028 4 0 "[ . 1 . 2 ]"
1 91 MET 0.245 0.067 2 0 "[ . 1 . 2 ]"
1 92 THR 1.221 0.142 22 0 "[ . 1 . 2 ]"
1 93 SER 54.640 3.974 24 19 "[***** ** ** *-** *** **+]"
1 102 GLU 8.136 0.892 8 5 "[ - . + 1 ** * 2 ]"
1 104 ALA 0.502 0.238 7 0 "[ . 1 . 2 ]"
1 105 PHE 53.398 1.974 5 24 [****+******-************]
1 107 LEU 0.502 0.238 7 0 "[ . 1 . 2 ]"
1 108 TYR 45.262 1.974 5 24 [****+******-************]
1 117 SER 682.491 8.700 8 24 [*******+***********-****]
1 118 LYS 0.042 0.024 19 0 "[ . 1 . 2 ]"
1 119 ASN 9.469 0.608 23 5 "[ .* 1- *. 2 +*]"
1 121 VAL 0.051 0.051 19 0 "[ . 1 . 2 ]"
1 122 LEU 0.043 0.024 19 0 "[ . 1 . 2 ]"
1 123 GLU 9.469 0.608 23 5 "[ .* 1- *. 2 +*]"
1 124 ILE 0.034 0.019 11 0 "[ . 1 . 2 ]"
1 125 VAL 0.051 0.051 19 0 "[ . 1 . 2 ]"
1 126 THR 0.619 0.114 18 0 "[ . 1 . 2 ]"
1 127 ALA 2.244 0.149 24 0 "[ . 1 . 2 ]"
1 128 ILE 1.444 0.154 4 0 "[ . 1 . 2 ]"
1 129 PHE 121.837 4.104 20 24 [***********-*******+****]
1 130 LYS 0.618 0.114 18 0 "[ . 1 . 2 ]"
1 131 MET 2.244 0.149 24 0 "[ . 1 . 2 ]"
1 132 ILE 1.411 0.154 4 0 "[ . 1 . 2 ]"
1 133 SER 121.837 4.104 20 24 [***********-*******+****]
1 147 PRO 0.155 0.088 22 0 "[ . 1 . 2 ]"
1 151 ALA 0.767 0.088 22 0 "[ . 1 . 2 ]"
1 152 GLU 0.219 0.053 21 0 "[ . 1 . 2 ]"
1 153 LYS 1.105 0.188 2 0 "[ . 1 . 2 ]"
1 154 ILE 18.216 1.731 2 7 "[ +* . 1* **.* 2 - ]"
1 155 TRP 0.611 0.070 2 0 "[ . 1 . 2 ]"
1 156 GLY 143.981 4.201 19 24 [**************-***+*****]
1 157 PHE 1.105 0.188 2 0 "[ . 1 . 2 ]"
1 158 PHE 18.216 1.731 2 7 "[ +* . 1* **.* 2 - ]"
1 160 LYS 143.762 4.201 19 24 [**************-***+*****]
1 167 THR 682.491 8.700 8 24 [*******+***********-****]
1 173 GLU 0.082 0.055 14 0 "[ . 1 . 2 ]"
1 174 GLY 55.729 2.106 10 21 "[****** **+* * ****-*****]"
1 177 ALA 0.082 0.055 14 0 "[ . 1 . 2 ]"
1 178 ASN 55.729 2.106 10 21 "[****** **+* * ****-*****]"
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 85 TYR O 1 89 LEU N 0.000 . 3.300 2.814 2.470 3.101 . 0 0 "[ . 1 . 2 ]" 2
2 1 85 TYR O 1 89 LEU H 0.000 . 2.300 1.899 1.533 2.151 . 0 0 "[ . 1 . 2 ]" 2
3 1 86 VAL O 1 90 HIS N 0.000 . 3.300 2.727 2.406 3.234 . 0 0 "[ . 1 . 2 ]" 2
4 1 86 VAL O 1 90 HIS H 0.000 . 2.300 1.890 1.501 2.328 0.028 4 0 "[ . 1 . 2 ]" 2
5 1 87 ILE O 1 91 MET N 0.000 . 3.300 2.948 2.412 3.300 . 0 0 "[ . 1 . 2 ]" 2
6 1 87 ILE O 1 91 MET H 0.000 . 2.300 2.067 1.509 2.367 0.067 2 0 "[ . 1 . 2 ]" 2
7 1 88 ALA O 1 92 THR N 0.000 . 3.300 3.195 2.903 3.348 0.048 24 0 "[ . 1 . 2 ]" 2
8 1 88 ALA O 1 92 THR H 0.000 . 2.300 2.340 2.224 2.442 0.142 22 0 "[ . 1 . 2 ]" 2
9 1 89 LEU O 1 93 SER N 0.000 . 3.300 4.142 2.853 5.571 2.271 24 15 "[***** * 1* *-.* * * **+]" 2
10 1 89 LEU O 1 93 SER H 0.000 . 2.300 3.669 2.067 6.274 3.974 24 19 "[***** ** -* **** *** **+]" 2
11 1 102 GLU O 1 105 PHE N 0.000 . 3.300 3.198 2.665 3.623 0.323 8 0 "[ . 1 . 2 ]" 2
12 1 102 GLU O 1 105 PHE H 0.000 . 2.300 2.509 2.052 3.192 0.892 8 5 "[ - . + 1 ** * 2 ]" 2
13 1 104 ALA O 1 107 LEU N 0.000 . 3.300 2.840 2.609 3.212 . 0 0 "[ . 1 . 2 ]" 2
14 1 104 ALA O 1 107 LEU H 0.000 . 2.300 2.245 1.962 2.538 0.238 7 0 "[ . 1 . 2 ]" 2
15 1 105 PHE O 1 108 TYR N 0.000 . 3.300 3.918 3.030 4.523 1.223 5 16 "[*** +****1*- *.* * * * *]" 2
16 1 105 PHE O 1 108 TYR H 0.000 . 2.300 3.547 2.817 4.274 1.974 5 24 [****+*************-*****] 2
17 1 44 THR O 1 81 ASP N 0.000 . 3.300 9.017 8.336 9.790 6.490 6 24 [-****+******************] 2
18 1 44 THR O 1 81 ASP H 0.000 . 2.300 9.439 8.768 10.245 7.945 6 24 [-****+******************] 2
19 1 117 SER O 1 167 THR N 0.000 . 3.300 9.904 9.492 10.472 7.172 8 24 [***-***+****************] 2
20 1 117 SER O 1 167 THR H 0.000 . 2.300 10.428 9.966 11.000 8.700 8 24 [***-***+****************] 2
21 1 118 LYS O 1 122 LEU N 0.000 . 3.300 2.952 2.738 3.165 . 0 0 "[ . 1 . 2 ]" 2
22 1 118 LYS O 1 122 LEU H 0.000 . 2.300 2.149 1.849 2.324 0.024 19 0 "[ . 1 . 2 ]" 2
23 1 119 ASN O 1 123 GLU N 0.000 . 3.300 3.407 3.062 3.786 0.486 23 0 "[ . 1 . 2 ]" 2
24 1 119 ASN O 1 123 GLU H 0.000 . 2.300 2.523 2.150 2.908 0.608 23 5 "[ .* 1- *. 2 +*]" 2
25 1 121 VAL O 1 125 VAL N 0.000 . 3.300 3.021 2.762 3.292 . 0 0 "[ . 1 . 2 ]" 2
26 1 121 VAL O 1 125 VAL H 0.000 . 2.300 2.108 1.817 2.351 0.051 19 0 "[ . 1 . 2 ]" 2
27 1 122 LEU O 1 126 THR N 0.000 . 3.300 2.872 2.592 3.240 . 0 0 "[ . 1 . 2 ]" 2
28 1 122 LEU O 1 126 THR H 0.000 . 2.300 1.925 1.645 2.301 0.001 12 0 "[ . 1 . 2 ]" 2
29 1 123 GLU O 1 127 ALA N 0.000 . 3.300 2.750 2.473 2.968 . 0 0 "[ . 1 . 2 ]" 2
30 1 123 GLU O 1 127 ALA H 0.000 . 2.300 1.790 1.501 2.003 . 0 0 "[ . 1 . 2 ]" 2
31 1 124 ILE O 1 128 ILE N 0.000 . 3.300 3.095 2.812 3.293 . 0 0 "[ . 1 . 2 ]" 2
32 1 124 ILE O 1 128 ILE H 0.000 . 2.300 2.138 1.848 2.319 0.019 11 0 "[ . 1 . 2 ]" 2
33 1 125 VAL O 1 129 PHE N 0.000 . 3.300 2.961 2.656 3.205 . 0 0 "[ . 1 . 2 ]" 2
34 1 125 VAL O 1 129 PHE H 0.000 . 2.300 2.022 1.680 2.282 . 0 0 "[ . 1 . 2 ]" 2
35 1 126 THR O 1 130 LYS N 0.000 . 3.300 3.160 2.825 3.286 . 0 0 "[ . 1 . 2 ]" 2
36 1 126 THR O 1 130 LYS H 0.000 . 2.300 2.300 2.105 2.414 0.114 18 0 "[ . 1 . 2 ]" 2
37 1 127 ALA O 1 131 MET N 0.000 . 3.300 3.266 3.018 3.369 0.069 2 0 "[ . 1 . 2 ]" 2
38 1 127 ALA O 1 131 MET H 0.000 . 2.300 2.380 2.301 2.449 0.149 24 0 "[ . 1 . 2 ]" 2
39 1 128 ILE O 1 132 ILE N 0.000 . 3.300 3.090 2.836 3.253 . 0 0 "[ . 1 . 2 ]" 2
40 1 128 ILE O 1 132 ILE H 0.000 . 2.300 2.331 1.949 2.454 0.154 4 0 "[ . 1 . 2 ]" 2
41 1 129 PHE O 1 133 SER N 0.000 . 3.300 5.057 4.503 5.959 2.659 20 24 [***********-*******+****] 2
42 1 129 PHE O 1 133 SER H 0.000 . 2.300 5.620 5.026 6.404 4.104 20 24 [***********-*******+****] 2
43 1 147 PRO O 1 151 ALA N 0.000 . 3.300 2.829 2.422 3.258 . 0 0 "[ . 1 . 2 ]" 2
44 1 147 PRO O 1 151 ALA H 0.000 . 2.300 1.899 1.448 2.388 0.088 22 0 "[ . 1 . 2 ]" 2
45 1 151 ALA O 1 155 TRP N 0.000 . 3.300 3.095 2.803 3.309 0.009 10 0 "[ . 1 . 2 ]" 2
46 1 151 ALA O 1 155 TRP H 0.000 . 2.300 2.308 2.214 2.370 0.070 2 0 "[ . 1 . 2 ]" 2
47 1 152 GLU O 1 156 GLY N 0.000 . 3.300 2.786 2.408 3.063 . 0 0 "[ . 1 . 2 ]" 2
48 1 152 GLU O 1 156 GLY H 0.000 . 2.300 2.134 1.773 2.353 0.053 21 0 "[ . 1 . 2 ]" 2
49 1 153 LYS O 1 157 PHE N 0.000 . 3.300 2.970 2.433 3.256 . 0 0 "[ . 1 . 2 ]" 2
50 1 153 LYS O 1 157 PHE H 0.000 . 2.300 2.259 1.619 2.488 0.188 2 0 "[ . 1 . 2 ]" 2
51 1 154 ILE O 1 158 PHE N 0.000 . 3.300 3.593 3.137 4.513 1.213 2 5 "[ +* . 1* .* 2 - ]" 2
52 1 154 ILE O 1 158 PHE H 0.000 . 2.300 2.755 2.273 4.031 1.731 2 7 "[ +* . 1* *-.* 2 * ]" 2
53 1 156 GLY O 1 160 LYS N 0.000 . 3.300 5.901 4.996 6.549 3.249 13 24 [************+*-*********] 2
54 1 156 GLY O 1 160 LYS H 0.000 . 2.300 5.689 4.374 6.501 4.201 19 24 [**************-***+*****] 2
55 1 117 SER N 1 167 THR O 0.000 . 3.300 9.478 9.063 9.852 6.552 13 24 [************+******-****] 2
56 1 117 SER H 1 167 THR O 0.000 . 2.300 9.827 9.430 10.172 7.872 13 24 [************+******-****] 2
57 1 173 GLU O 1 177 ALA N 0.000 . 3.300 3.013 2.733 3.266 . 0 0 "[ . 1 . 2 ]" 2
58 1 173 GLU O 1 177 ALA H 0.000 . 2.300 2.108 1.762 2.355 0.055 14 0 "[ . 1 . 2 ]" 2
59 1 174 GLY O 1 178 ASN N 0.000 . 3.300 4.352 3.315 5.107 1.807 2 16 "[*+**-* **** * .** ** *]" 2
60 1 174 GLY O 1 178 ASN H 0.000 . 2.300 3.570 2.460 4.406 2.106 10 21 "[****** **+* * ****-*****]" 2
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