NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393051 |
1q80   |
4129 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q80
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 248
_Distance_constraint_stats_list.Viol_count 1163
_Distance_constraint_stats_list.Viol_total 3547.513
_Distance_constraint_stats_list.Viol_max 1.666
_Distance_constraint_stats_list.Viol_rms 0.1563
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0495
_Distance_constraint_stats_list.Viol_average_violations_only 0.1794
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 MET 0.244 0.066 14 0 "[ . 1 . ]"
1 9 LYS 0.234 0.056 4 0 "[ . 1 . ]"
1 10 THR 0.903 0.273 11 0 "[ . 1 . ]"
1 11 TYR 4.369 0.707 4 4 "[ * +* 1 . -]"
1 12 PHE 0.004 0.004 5 0 "[ . 1 . ]"
1 13 ASN 0.742 0.076 5 0 "[ . 1 . ]"
1 15 ILE 0.194 0.076 5 0 "[ . 1 . ]"
1 16 ASP 0.268 0.075 2 0 "[ . 1 . ]"
1 18 ASP 0.207 0.075 2 0 "[ . 1 . ]"
1 19 LYS 3.194 0.620 6 3 "[* -.+ 1 . ]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 23 ILE 0.358 0.177 3 0 "[ . 1 . ]"
1 24 THR 25.904 1.666 4 17 [*-*+*************]
1 25 ARG 0.016 0.016 13 0 "[ . 1 . ]"
1 26 MET 18.607 1.666 4 17 [*-*+*************]
1 27 ASP 0.211 0.035 6 0 "[ . 1 . ]"
1 28 PHE 1.825 0.942 9 1 "[ . +1 . ]"
1 29 GLU 0.047 0.035 13 0 "[ . 1 . ]"
1 30 SER 0.178 0.035 6 0 "[ . 1 . ]"
1 32 ALA 0.036 0.014 4 0 "[ . 1 . ]"
1 36 ALA 0.062 0.062 17 0 "[ . 1 . ]"
1 39 SER 0.211 0.149 13 0 "[ . 1 . ]"
1 45 HIS 9.181 0.861 5 10 "[ - + **1***** *]"
1 46 ALA 9.099 0.861 5 10 "[ - + **1***** *]"
1 48 VAL 0.251 0.060 15 0 "[ . 1 . ]"
1 49 LEU 0.083 0.048 5 0 "[ . 1 . ]"
1 50 MET 0.072 0.024 14 0 "[ . 1 . ]"
1 51 ASP 0.179 0.060 15 0 "[ . 1 . ]"
1 53 LEU 2.186 1.049 13 1 "[ . 1 + . ]"
1 54 THR 1.848 1.049 13 1 "[ . 1 + . ]"
1 55 GLY 5.090 0.448 13 0 "[ . 1 . ]"
1 56 VAL 0.627 0.112 12 0 "[ . 1 . ]"
1 57 TRP 6.002 1.421 8 3 "[ -. *+ 1 . ]"
1 58 ASP 0.118 0.026 12 0 "[ . 1 . ]"
1 59 ASN 5.147 0.448 13 0 "[ . 1 . ]"
1 60 PHE 1.088 0.092 2 0 "[ . 1 . ]"
1 61 LEU 6.162 1.038 8 9 "[ *. *+ * * ***-]"
1 62 THR 18.333 1.032 2 16 "[*+***** *****-***]"
1 63 ALA 12.811 1.032 2 16 "[*+***** *****-***]"
1 64 VAL 7.671 1.038 8 9 "[ *. *+ * * ***-]"
1 65 ALA 0.999 0.158 12 0 "[ . 1 . ]"
1 66 GLY 0.807 0.069 14 0 "[ . 1 . ]"
1 67 GLY 12.306 1.421 8 4 "[ *. *+ 1 - . ]"
1 68 LYS 2.296 0.425 5 0 "[ . 1 . ]"
1 69 GLY 0.654 0.425 5 0 "[ . 1 . ]"
1 70 ILE 6.324 1.015 16 6 "[*- . *1 *+*]"
1 71 ASP 0.010 0.010 15 0 "[ . 1 . ]"
1 73 THR 2.351 0.459 13 0 "[ . 1 . ]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 75 PHE 0.132 0.018 3 0 "[ . 1 . ]"
1 76 ILE 0.744 0.069 5 0 "[ . 1 . ]"
1 77 ASN 0.063 0.013 11 0 "[ . 1 . ]"
1 81 GLU 1.975 0.797 3 1 "[ + . 1 . ]"
1 82 MET 0.820 0.820 10 1 "[ . + . ]"
1 83 VAL 0.983 0.820 10 1 "[ . + . ]"
1 84 LYS 1.930 0.797 3 1 "[ + . 1 . ]"
1 85 ASN 0.083 0.039 2 0 "[ . 1 . ]"
1 88 ALA 1.372 0.536 14 1 "[ . 1 +. ]"
1 89 LYS 3.162 0.748 3 3 "[ + .* 1 -. ]"
1 90 SER 2.014 0.748 3 2 "[ + .- 1 . ]"
1 91 VAL 3.465 0.303 14 0 "[ . 1 . ]"
1 92 VAL 2.089 0.303 14 0 "[ . 1 . ]"
1 93 GLU 10.826 0.816 11 10 "[**- * ****+ * . ]"
1 94 GLY 4.171 0.816 11 4 "[** . - 1+ . ]"
1 95 PRO 0.590 0.112 12 0 "[ . 1 . ]"
1 96 LEU 0.574 0.071 12 0 "[ . 1 . ]"
1 97 PRO 0.535 0.071 12 0 "[ . 1 . ]"
1 98 LEU 5.621 0.620 9 4 "[ -.* +1 .* ]"
1 99 PHE 5.662 0.620 9 4 "[ -.* +1 .* ]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 103 VAL 2.891 0.734 6 1 "[ .+ 1 . ]"
1 104 ASP 2.974 0.734 6 1 "[ .+ 1 . ]"
1 107 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 108 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 109 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 110 ASN 1.969 0.664 9 1 "[ . +1 . ]"
1 111 ILE 5.510 0.591 4 2 "[ +.- 1 . ]"
1 112 SER 0.956 0.080 15 0 "[ . 1 . ]"
1 113 ARG 16.659 1.193 14 11 "[** ** ** ** +.**]"
1 114 ASP 0.034 0.011 8 0 "[ . 1 . ]"
1 115 GLU 0.628 0.080 15 0 "[ . 1 . ]"
1 116 TYR 0.027 0.013 7 0 "[ . 1 . ]"
1 117 GLY 4.293 0.395 9 0 "[ . 1 . ]"
1 118 ILE 0.017 0.011 8 0 "[ . 1 . ]"
1 119 PHE 0.234 0.036 14 0 "[ . 1 . ]"
1 120 PHE 7.426 0.395 9 0 "[ . 1 . ]"
1 121 GLY 3.367 0.268 5 0 "[ . 1 . ]"
1 122 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 123 LEU 9.634 0.745 6 14 "[** **+* ******.*-]"
1 124 GLY 9.634 0.745 6 14 "[** **+* ******.*-]"
1 127 LYS 1.104 0.347 3 0 "[ . 1 . ]"
1 129 MET 6.330 0.796 16 3 "[ . -* .+ ]"
1 130 ALA 7.434 0.796 16 3 "[ . -* .+ ]"
1 133 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 134 PHE 4.057 0.472 4 0 "[ . 1 . ]"
1 135 ASP 0.071 0.027 15 0 "[ . 1 . ]"
1 136 ALA 0.269 0.040 17 0 "[ . 1 . ]"
1 137 ILE 1.297 0.188 8 0 "[ . 1 . ]"
1 138 ASP 0.098 0.047 1 0 "[ . 1 . ]"
1 139 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 143 GLY 1.267 0.095 12 0 "[ . 1 . ]"
1 144 LEU 2.366 0.472 4 0 "[ . 1 . ]"
1 145 LEU 11.072 0.664 9 3 "[ *.- +1 . ]"
1 146 SER 15.898 0.755 5 8 "[ * + * *1* -.**]"
1 147 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 149 GLU 7.494 0.606 5 8 "[ * + * *1* -.**]"
1 150 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 151 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 153 ALA 0.106 0.034 6 0 "[ . 1 . ]"
1 154 GLY 0.443 0.129 12 0 "[ . 1 . ]"
1 155 SER 0.234 0.102 6 0 "[ . 1 . ]"
1 156 ASP 0.275 0.129 12 0 "[ . 1 . ]"
1 158 PHE 0.681 0.070 12 0 "[ . 1 . ]"
1 159 MET 0.706 0.070 12 0 "[ . 1 . ]"
1 160 ASN 1.313 0.774 15 1 "[ . 1 + ]"
1 161 ASP 5.459 1.407 12 5 "[ *-*. 1 + .* ]"
1 162 GLY 6.772 1.407 12 6 "[ *-*. 1 + ** ]"
1 165 THR 0.562 0.088 12 0 "[ . 1 . ]"
1 166 ASN 0.987 0.297 6 0 "[ . 1 . ]"
1 167 LYS 0.424 0.173 7 0 "[ . 1 . ]"
1 168 VAL 4.365 0.297 6 0 "[ . 1 . ]"
1 169 PHE 2.703 0.504 5 1 "[ + 1 . ]"
1 170 TRP 9.552 0.707 4 4 "[ * +- 1 . *]"
1 171 GLY 0.468 0.224 7 0 "[ . 1 . ]"
1 173 LEU 0.410 0.055 11 0 "[ . 1 . ]"
1 174 VAL 0.410 0.055 11 0 "[ . 1 . ]"
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 1 114 ASP H 1 117 GLY H 5.000 3.700 5.000 4.625 4.457 4.711 . 0 0 "[ . 1 . ]" 1
2 1 68 LYS QG 1 69 GLY H 5.000 3.700 5.000 4.024 3.275 4.475 0.425 5 0 "[ . 1 . ]" 1
3 1 166 ASN HA 1 168 VAL H 3.700 2.900 3.700 3.425 2.942 3.912 0.212 6 0 "[ . 1 . ]" 1
4 1 166 ASN QB 1 168 VAL H 5.000 3.700 5.000 4.755 4.356 5.297 0.297 6 0 "[ . 1 . ]" 1
5 1 165 THR HA 1 168 VAL H 5.000 3.700 5.000 4.825 3.954 5.088 0.088 12 0 "[ . 1 . ]" 1
6 1 168 VAL H 1 168 VAL HA 3.700 2.900 3.700 3.061 2.832 3.124 0.068 6 0 "[ . 1 . ]" 1
7 1 167 LYS HA 1 168 VAL H 3.700 2.900 3.700 3.146 2.882 3.480 0.018 1 0 "[ . 1 . ]" 1
8 1 168 VAL H 1 169 PHE QB 5.000 3.700 5.000 4.330 3.894 5.064 0.064 6 0 "[ . 1 . ]" 1
9 1 168 VAL H 1 168 VAL HB 4.000 3.000 4.000 3.355 2.780 3.929 0.220 4 0 "[ . 1 . ]" 1
10 1 120 PHE QD 1 121 GLY H 5.000 3.700 5.000 4.682 4.585 4.778 . 0 0 "[ . 1 . ]" 1
11 1 120 PHE QB 1 121 GLY H 3.700 2.900 3.700 2.716 2.632 2.957 0.268 5 0 "[ . 1 . ]" 1
12 1 119 PHE HA 1 121 GLY H 5.000 3.700 5.000 4.741 4.515 4.883 . 0 0 "[ . 1 . ]" 1
13 1 53 LEU QD 1 54 THR H 5.000 3.700 5.000 4.165 2.651 4.368 1.049 13 1 "[ . 1 + . ]" 1
14 1 54 THR H 1 56 VAL H 4.400 4.000 4.400 4.312 4.060 4.416 0.016 4 0 "[ . 1 . ]" 1
15 1 53 LEU HG 1 54 THR H 5.000 3.700 5.000 4.629 3.517 4.819 0.183 13 0 "[ . 1 . ]" 1
16 1 28 PHE QB 1 54 THR H 5.000 3.700 5.000 4.124 3.473 4.945 0.227 2 0 "[ . 1 . ]" 1
17 1 122 MET H 1 124 GLY H 5.000 3.700 5.000 4.149 3.902 4.310 . 0 0 "[ . 1 . ]" 1
18 1 123 LEU QB 1 124 GLY H 3.700 3.700 3.700 3.133 2.955 3.342 0.745 6 14 "[** **+* ******.*-]" 1
19 1 169 PHE HA 1 171 GLY H 5.000 3.700 5.000 4.156 3.839 4.481 . 0 0 "[ . 1 . ]" 1
20 1 170 TRP HA 1 171 GLY H 3.700 2.900 3.700 2.978 2.822 3.364 0.078 15 0 "[ . 1 . ]" 1
21 1 170 TRP QB 1 171 GLY H 5.000 3.700 5.000 3.917 3.476 4.136 0.224 7 0 "[ . 1 . ]" 1
22 1 161 ASP QB 1 162 GLY H 5.000 3.700 5.000 3.465 2.293 3.965 1.407 12 5 "[ *-*. 1 + .* ]" 1
23 1 160 ASN HB3 1 162 GLY H 5.000 3.700 5.000 4.119 2.926 5.047 0.774 15 1 "[ . 1 + ]" 1
24 1 154 GLY H 1 156 ASP H 4.400 4.000 4.400 4.307 4.042 4.426 0.026 10 0 "[ . 1 . ]" 1
25 1 154 GLY H 1 169 PHE QD 5.000 3.700 5.000 4.375 3.755 5.059 0.059 11 0 "[ . 1 . ]" 1
26 1 154 GLY H 1 169 PHE HZ 5.000 3.700 5.000 3.926 3.696 4.309 0.004 9 0 "[ . 1 . ]" 1
27 1 154 GLY H 1 155 SER QB 5.000 3.700 5.000 4.705 4.393 5.102 0.102 6 0 "[ . 1 . ]" 1
28 1 137 ILE MD 1 154 GLY H 5.400 4.000 5.400 5.046 4.765 5.213 . 0 0 "[ . 1 . ]" 1
29 1 67 GLY H 1 68 LYS H 3.700 2.900 3.700 2.966 2.830 3.448 0.070 10 0 "[ . 1 . ]" 1
30 1 66 GLY HA3 1 67 GLY H 3.700 2.900 3.700 3.426 2.996 3.591 . 0 0 "[ . 1 . ]" 1
31 1 62 THR HA 1 67 GLY H 3.700 2.900 3.700 3.611 3.309 3.757 0.057 5 0 "[ . 1 . ]" 1
32 1 62 THR MG 1 67 GLY H 5.000 3.700 5.000 3.476 3.006 3.951 0.694 12 1 "[ . 1 + . ]" 1
33 1 92 VAL H 1 94 GLY H 4.000 3.500 4.000 3.925 3.703 4.030 0.030 9 0 "[ . 1 . ]" 1
34 1 90 SER HA 1 94 GLY H 3.700 2.900 3.700 3.091 2.850 3.693 0.050 5 0 "[ . 1 . ]" 1
35 1 94 GLY H 1 94 GLY HA2 2.900 . 2.900 2.792 2.724 2.874 . 0 0 "[ . 1 . ]" 1
36 1 94 GLY H 1 94 GLY HA3 2.900 . 2.900 2.381 2.345 2.409 . 0 0 "[ . 1 . ]" 1
37 1 94 GLY HA3 1 95 PRO QD 2.900 . 2.900 2.593 2.399 2.821 . 0 0 "[ . 1 . ]" 1
38 1 93 GLU QG 1 94 GLY H 5.000 3.700 5.000 3.804 2.884 4.451 0.816 11 4 "[** . - 1+ . ]" 1
39 1 64 VAL H 1 66 GLY H 5.000 3.700 5.000 3.869 3.661 4.072 0.039 14 0 "[ . 1 . ]" 1
40 1 66 GLY H 1 66 GLY HA2 2.900 . 2.900 2.411 2.383 2.429 . 0 0 "[ . 1 . ]" 1
41 1 66 GLY H 1 66 GLY HA3 2.900 . 2.900 2.885 2.771 2.969 0.069 14 0 "[ . 1 . ]" 1
42 1 90 SER H 1 90 SER HA 3.700 2.900 3.700 2.944 2.895 3.016 0.005 7 0 "[ . 1 . ]" 1
43 1 89 LYS QG 1 90 SER H 5.000 3.700 5.000 4.056 2.952 4.453 0.748 3 2 "[ + .- 1 . ]" 1
44 1 83 VAL H 1 85 ASN H 5.000 4.200 5.000 4.713 4.276 5.039 0.039 2 0 "[ . 1 . ]" 1
45 1 81 GLU H 1 83 VAL H 4.400 4.000 4.400 4.285 4.104 4.417 0.017 17 0 "[ . 1 . ]" 1
46 1 81 GLU HA 1 84 LYS QB 3.700 2.900 3.700 3.470 2.103 4.052 0.797 3 1 "[ + . 1 . ]" 1
47 1 82 MET QG 1 83 VAL H 5.000 3.700 5.000 4.417 2.880 4.835 0.820 10 1 "[ . + . ]" 1
48 1 83 VAL H 1 83 VAL HA 3.700 2.900 3.700 2.975 2.881 3.099 0.019 15 0 "[ . 1 . ]" 1
49 1 83 VAL H 1 84 LYS QB 5.000 3.700 5.000 4.808 4.310 4.997 . 0 0 "[ . 1 . ]" 1
50 1 83 VAL H 1 84 LYS QG 5.000 3.700 5.000 4.581 3.888 4.874 . 0 0 "[ . 1 . ]" 1
51 1 53 LEU H 1 55 GLY H 4.000 3.500 4.000 4.044 4.014 4.077 0.077 1 0 "[ . 1 . ]" 1
52 1 53 LEU QB 1 55 GLY H 5.000 3.700 5.000 4.867 4.720 5.197 0.197 13 0 "[ . 1 . ]" 1
53 1 54 THR MG 1 55 GLY H 5.000 3.700 5.000 4.212 4.151 4.268 . 0 0 "[ . 1 . ]" 1
54 1 55 GLY H 1 57 TRP H 5.000 3.700 5.000 4.511 4.212 4.801 . 0 0 "[ . 1 . ]" 1
55 1 54 THR HA 1 55 GLY H 3.700 2.900 3.700 3.622 3.572 3.660 . 0 0 "[ . 1 . ]" 1
56 1 55 GLY H 1 56 VAL QG 5.000 3.700 5.000 4.388 3.854 4.604 . 0 0 "[ . 1 . ]" 1
57 1 55 GLY QA 1 59 ASN H . 3.700 3.700 3.508 3.252 4.058 0.448 13 0 "[ . 1 . ]" 1
58 1 59 ASN H 1 60 PHE QB 5.000 3.700 5.000 4.450 4.120 4.622 . 0 0 "[ . 1 . ]" 1
59 1 59 ASN H 1 60 PHE HA 5.000 3.700 5.000 5.052 4.914 5.092 0.092 2 0 "[ . 1 . ]" 1
60 1 89 LYS HA 1 93 GLU H 5.000 3.700 5.000 4.245 3.738 4.899 . 0 0 "[ . 1 . ]" 1
61 1 93 GLU H 1 93 GLU QG 3.700 2.900 3.700 2.888 2.209 4.125 0.691 5 7 "[ - + **** * . ]" 1
62 1 169 PHE QD 1 170 TRP H 5.000 3.700 5.000 4.313 3.792 4.822 . 0 0 "[ . 1 . ]" 1
63 1 169 PHE HA 1 170 TRP H 3.700 2.900 3.700 3.403 3.166 3.538 . 0 0 "[ . 1 . ]" 1
64 1 170 TRP H 1 170 TRP HA 3.700 2.900 3.700 3.087 3.054 3.136 . 0 0 "[ . 1 . ]" 1
65 1 170 TRP H 1 171 GLY QA 5.000 3.700 5.000 4.450 4.120 4.767 . 0 0 "[ . 1 . ]" 1
66 1 168 VAL HB 1 170 TRP H 5.000 3.700 5.000 5.092 4.882 5.256 0.256 4 0 "[ . 1 . ]" 1
67 1 10 THR MG 1 170 TRP H 5.000 3.700 5.000 3.875 3.427 4.246 0.273 11 0 "[ . 1 . ]" 1
68 1 159 MET H 1 159 MET HA 3.700 2.900 3.700 3.035 2.954 3.098 . 0 0 "[ . 1 . ]" 1
69 1 155 SER HA 1 159 MET H 5.000 3.700 5.000 3.888 3.675 4.245 0.025 14 0 "[ . 1 . ]" 1
70 1 158 PHE HB2 1 159 MET H 3.700 2.900 3.700 2.943 2.830 3.134 0.070 12 0 "[ . 1 . ]" 1
71 1 158 PHE HB3 1 159 MET H 3.700 2.900 3.700 3.722 3.693 3.763 0.063 10 0 "[ . 1 . ]" 1
72 1 13 ASN H 1 15 ILE H 4.400 4.000 4.400 4.377 4.224 4.476 0.076 5 0 "[ . 1 . ]" 1
73 1 13 ASN H 1 13 ASN HA 2.900 . 2.900 2.932 2.913 2.965 0.065 5 0 "[ . 1 . ]" 1
74 1 39 SER H 1 39 SER HA 3.700 2.900 3.700 3.086 3.022 3.129 . 0 0 "[ . 1 . ]" 1
75 1 36 ALA HA 1 39 SER H 5.000 3.700 5.000 4.560 3.834 5.062 0.062 17 0 "[ . 1 . ]" 1
76 1 39 SER H 1 39 SER QB 2.900 . 2.900 2.645 2.407 3.049 0.149 13 0 "[ . 1 . ]" 1
77 1 19 LYS H 1 21 GLY H 5.000 3.700 5.000 4.447 4.067 4.624 . 0 0 "[ . 1 . ]" 1
78 1 143 GLY H 1 143 GLY HA2 2.900 . 2.900 2.428 2.366 2.917 0.017 2 0 "[ . 1 . ]" 1
79 1 143 GLY H 1 143 GLY HA3 2.900 . 2.900 2.974 2.916 2.995 0.095 12 0 "[ . 1 . ]" 1
80 1 60 PHE H 1 60 PHE HA 3.700 2.900 3.700 3.040 3.018 3.068 . 0 0 "[ . 1 . ]" 1
81 1 58 ASP HA 1 60 PHE H 5.000 3.700 5.000 4.584 4.443 4.748 . 0 0 "[ . 1 . ]" 1
82 1 56 VAL HA 1 60 PHE H 5.000 3.700 5.000 4.054 3.699 4.352 0.001 9 0 "[ . 1 . ]" 1
83 1 60 PHE H 1 60 PHE QB 2.900 . 2.900 2.791 2.638 2.898 . 0 0 "[ . 1 . ]" 1
84 1 18 ASP HB2 1 19 LYS H 5.000 3.700 5.000 4.425 4.187 4.556 . 0 0 "[ . 1 . ]" 1
85 1 19 LYS H 1 19 LYS QG 3.700 2.900 3.700 3.743 2.964 4.320 0.620 6 3 "[* -.+ 1 . ]" 1
86 1 26 MET H 1 27 ASP H 3.000 2.600 3.000 2.716 2.638 2.806 . 0 0 "[ . 1 . ]" 1
87 1 26 MET H 1 28 PHE H 4.400 4.000 4.400 4.408 4.282 4.432 0.032 7 0 "[ . 1 . ]" 1
88 1 24 THR HB 1 26 MET H 2.900 . 2.900 3.979 3.455 4.566 1.666 4 17 [*-*+*************] 1
89 1 133 SER H 1 134 PHE QB 5.000 3.700 5.000 4.141 3.897 4.275 . 0 0 "[ . 1 . ]" 1
90 1 73 THR H 1 75 PHE H 4.400 4.000 4.400 4.105 3.982 4.408 0.018 3 0 "[ . 1 . ]" 1
91 1 73 THR H 1 73 THR MG 5.000 3.700 5.000 3.663 3.241 3.889 0.459 13 0 "[ . 1 . ]" 1
92 1 27 ASP HA 1 30 SER H 4.500 3.700 4.500 3.755 3.665 4.012 0.035 6 0 "[ . 1 . ]" 1
93 1 29 GLU QG 1 30 SER H 5.000 3.700 5.000 4.332 4.149 4.549 . 0 0 "[ . 1 . ]" 1
94 1 16 ASP HA 1 18 ASP H 5.000 3.700 5.000 3.834 3.625 4.222 0.075 2 0 "[ . 1 . ]" 1
95 1 18 ASP H 1 20 ASP H 5.000 3.700 5.000 4.501 4.261 4.780 . 0 0 "[ . 1 . ]" 1
96 1 57 TRP HE1 1 62 THR HA 5.000 3.700 5.000 4.191 3.863 4.483 . 0 0 "[ . 1 . ]" 1
97 1 57 TRP HE1 1 67 GLY QA 5.000 3.700 5.000 3.529 2.279 4.322 1.421 8 3 "[ -. *+ 1 . ]" 1
98 1 57 TRP HE1 1 58 ASP HA 5.000 3.700 5.000 4.225 3.901 4.649 . 0 0 "[ . 1 . ]" 1
99 1 169 PHE H 1 170 TRP H 3.700 2.900 3.700 3.342 2.967 3.672 . 0 0 "[ . 1 . ]" 1
100 1 169 PHE H 1 170 TRP HD1 5.000 3.700 5.000 4.968 4.631 5.083 0.083 2 0 "[ . 1 . ]" 1
101 1 23 ILE H 1 71 ASP HA 5.000 3.700 5.000 3.980 3.690 4.326 0.010 15 0 "[ . 1 . ]" 1
102 1 71 ASP H 1 74 THR H 5.000 3.700 5.000 4.184 3.717 4.460 . 0 0 "[ . 1 . ]" 1
103 1 71 ASP H 1 75 PHE H 5.000 3.700 5.000 4.302 3.994 4.515 . 0 0 "[ . 1 . ]" 1
104 1 11 TYR HB2 1 170 TRP HE1 5.000 3.700 5.000 4.326 3.595 4.898 0.105 12 0 "[ . 1 . ]" 1
105 1 11 TYR HB2 1 170 TRP HD1 3.700 2.900 3.700 3.873 3.381 4.407 0.707 4 4 "[ * +* 1 . -]" 1
106 1 169 PHE QB 1 170 TRP HE1 5.000 3.700 5.000 3.744 3.196 4.415 0.504 5 1 "[ + 1 . ]" 1
107 1 146 SER H 1 147 LEU H 5.000 3.700 5.000 4.663 4.581 4.729 . 0 0 "[ . 1 . ]" 1
108 1 111 ILE H 1 112 SER H 5.000 3.700 5.000 4.574 4.239 4.754 . 0 0 "[ . 1 . ]" 1
109 1 112 SER H 1 115 GLU H 3.700 2.900 3.700 3.723 3.455 3.780 0.080 15 0 "[ . 1 . ]" 1
110 1 112 SER H 1 112 SER HB2 3.700 2.900 3.700 3.700 3.662 3.745 0.045 1 0 "[ . 1 . ]" 1
111 1 112 SER H 1 112 SER HB3 2.900 . 2.900 2.653 2.453 2.887 . 0 0 "[ . 1 . ]" 1
112 1 111 ILE HB 1 112 SER H 5.000 3.700 5.000 4.424 4.309 4.544 . 0 0 "[ . 1 . ]" 1
113 1 111 ILE HG12 1 112 SER H 5.000 3.700 5.000 4.552 3.909 4.916 . 0 0 "[ . 1 . ]" 1
114 1 70 ILE H 1 70 ILE HA 3.500 2.500 3.500 3.028 2.952 3.074 . 0 0 "[ . 1 . ]" 1
115 1 24 THR HA 1 70 ILE H 5.000 3.700 5.000 4.207 3.773 4.639 . 0 0 "[ . 1 . ]" 1
116 1 24 THR MG 1 70 ILE H 5.000 3.700 5.000 3.457 2.685 4.344 1.015 16 6 "[*- . *1 *+*]" 1
117 1 69 GLY HA2 1 70 ILE H 2.900 . 2.900 2.760 2.698 2.798 . 0 0 "[ . 1 . ]" 1
118 1 56 VAL H 1 58 ASP H 5.000 3.700 5.000 4.497 4.226 4.645 . 0 0 "[ . 1 . ]" 1
119 1 58 ASP H 1 60 PHE H 4.400 4.000 4.400 4.382 4.306 4.426 0.026 12 0 "[ . 1 . ]" 1
120 1 57 TRP HA 1 60 PHE H 5.000 3.700 5.000 3.962 3.739 4.098 . 0 0 "[ . 1 . ]" 1
121 1 45 HIS HA 1 49 LEU H 5.000 3.700 5.000 3.855 3.652 4.207 0.048 5 0 "[ . 1 . ]" 1
122 1 49 LEU H 1 50 MET QB 5.000 3.700 5.000 4.692 4.512 4.777 . 0 0 "[ . 1 . ]" 1
123 1 75 PHE H 1 77 ASN H 4.400 4.000 4.400 4.351 4.227 4.413 0.013 11 0 "[ . 1 . ]" 1
124 1 91 VAL H 1 93 GLU H 3.900 3.500 3.900 3.789 3.463 3.972 0.072 4 0 "[ . 1 . ]" 1
125 1 88 ALA HA 1 91 VAL H 5.000 3.700 5.000 4.400 4.085 4.870 . 0 0 "[ . 1 . ]" 1
126 1 90 SER HA 1 91 VAL H 3.700 3.300 3.700 3.479 3.353 3.551 . 0 0 "[ . 1 . ]" 1
127 1 91 VAL H 1 91 VAL HA 2.900 . 2.900 2.985 2.969 3.003 0.103 6 0 "[ . 1 . ]" 1
128 1 88 ALA MB 1 91 VAL H 5.000 3.700 5.000 4.404 4.101 4.655 . 0 0 "[ . 1 . ]" 1
129 1 91 VAL H 1 92 VAL HB 5.000 3.700 5.000 5.008 4.393 5.303 0.303 14 0 "[ . 1 . ]" 1
130 1 129 MET QG 1 130 ALA H 3.700 3.700 3.700 4.038 3.411 4.496 0.796 16 3 "[ . -* .+ ]" 1
131 1 127 LYS QB 1 130 ALA H 5.000 3.700 5.000 4.890 4.434 5.347 0.347 3 0 "[ . 1 . ]" 1
132 1 127 LYS HA 1 130 ALA H 3.700 2.900 3.700 3.515 3.184 3.712 0.012 3 0 "[ . 1 . ]" 1
133 1 173 LEU H 1 174 VAL H 5.000 3.700 5.000 4.341 3.850 4.681 . 0 0 "[ . 1 . ]" 1
134 1 173 LEU HG 1 174 VAL H 5.000 3.700 5.000 5.003 4.648 5.055 0.055 11 0 "[ . 1 . ]" 1
135 1 153 ALA H 1 155 SER H 4.400 4.000 4.400 4.361 4.273 4.434 0.034 6 0 "[ . 1 . ]" 1
136 1 153 ALA H 1 154 GLY QA 5.000 3.700 5.000 4.876 4.788 4.960 . 0 0 "[ . 1 . ]" 1
137 1 46 ALA H 1 49 LEU H 5.000 3.700 5.000 4.809 4.612 4.993 . 0 0 "[ . 1 . ]" 1
138 1 45 HIS HA 1 46 ALA H 3.700 3.300 3.700 3.466 3.328 3.689 . 0 0 "[ . 1 . ]" 1
139 1 45 HIS QB 1 46 ALA H 3.700 3.700 3.700 3.165 2.839 3.457 0.861 5 10 "[ - + **1***** *]" 1
140 1 134 PHE QE 1 145 LEU H 5.000 3.700 5.000 3.768 3.295 4.246 0.405 1 0 "[ . 1 . ]" 1
141 1 144 LEU H 1 145 LEU H 5.000 3.700 5.000 4.352 4.171 4.518 . 0 0 "[ . 1 . ]" 1
142 1 111 ILE H 1 145 LEU H 2.900 . 2.900 2.859 2.721 2.947 0.047 16 0 "[ . 1 . ]" 1
143 1 111 ILE HB 1 145 LEU H 3.700 2.900 3.700 3.550 3.379 3.728 0.028 6 0 "[ . 1 . ]" 1
144 1 111 ILE HB 1 145 LEU HB3 3.700 2.900 3.700 4.007 3.805 4.291 0.591 4 2 "[ +.- 1 . ]" 1
145 1 112 SER HA 1 145 LEU H 5.000 3.700 5.000 3.703 3.663 3.804 0.037 12 0 "[ . 1 . ]" 1
146 1 110 ASN QB 1 145 LEU H 3.700 2.900 3.700 3.720 3.297 4.364 0.664 9 1 "[ . +1 . ]" 1
147 1 119 PHE H 1 121 GLY H 4.400 4.000 4.400 4.386 4.244 4.436 0.036 14 0 "[ . 1 . ]" 1
148 1 117 GLY QA 1 119 PHE H 4.600 4.200 4.600 4.249 4.174 4.362 0.026 2 0 "[ . 1 . ]" 1
149 1 119 PHE H 1 120 PHE QB 5.000 3.700 5.000 4.746 4.584 4.903 . 0 0 "[ . 1 . ]" 1
150 1 113 ARG H 1 116 TYR H 5.000 3.700 5.000 4.967 4.866 5.013 0.013 7 0 "[ . 1 . ]" 1
151 1 103 VAL QG 1 116 TYR H 5.000 3.700 5.000 4.199 3.835 4.682 . 0 0 "[ . 1 . ]" 1
152 1 48 VAL HA 1 51 ASP H 3.700 2.900 3.700 3.609 3.335 3.760 0.060 15 0 "[ . 1 . ]" 1
153 1 114 ASP HA 1 118 ILE H 5.000 3.700 5.000 3.882 3.689 4.286 0.011 8 0 "[ . 1 . ]" 1
154 1 118 ILE H 1 119 PHE QB 5.000 3.700 5.000 4.409 4.293 4.514 . 0 0 "[ . 1 . ]" 1
155 1 88 ALA H 1 89 LYS QB 5.000 3.700 5.000 4.951 4.432 5.536 0.536 14 1 "[ . 1 +. ]" 1
156 1 10 THR HA 1 11 TYR H 3.700 3.300 3.700 3.552 3.470 3.702 0.002 3 0 "[ . 1 . ]" 1
157 1 8 MET HA 1 11 TYR H 3.700 2.900 3.700 3.670 3.368 3.766 0.066 14 0 "[ . 1 . ]" 1
158 1 114 ASP H 1 115 GLU H 3.000 2.600 3.000 2.792 2.689 2.877 . 0 0 "[ . 1 . ]" 1
159 1 113 ARG H 1 114 ASP H 3.000 2.600 3.000 2.903 2.614 3.008 0.008 8 0 "[ . 1 . ]" 1
160 1 113 ARG H 1 134 PHE HZ 5.000 3.700 5.000 3.705 3.670 4.006 0.030 15 0 "[ . 1 . ]" 1
161 1 112 SER HA 1 113 ARG H 2.900 . 2.900 2.491 2.355 2.743 . 0 0 "[ . 1 . ]" 1
162 1 112 SER HB3 1 113 ARG H 5.000 3.700 5.000 3.890 3.681 4.080 0.019 8 0 "[ . 1 . ]" 1
163 1 112 SER HB2 1 113 ARG H 2.900 . 2.900 2.555 2.320 2.867 . 0 0 "[ . 1 . ]" 1
164 1 113 ARG H 1 113 ARG HA 2.900 . 2.900 2.875 2.676 2.929 0.029 11 0 "[ . 1 . ]" 1
165 1 113 ARG H 1 113 ARG QG . 2.900 2.900 2.654 2.141 3.429 0.759 11 8 "[** ** * 1+ -. *]" 1
166 1 113 ARG H 1 113 ARG QB 2.900 2.900 2.900 2.453 1.707 3.018 1.193 14 5 "[ . * * +.-*]" 1
167 1 68 LYS H 1 69 GLY H 5.000 3.700 5.000 4.430 3.650 4.711 0.050 9 0 "[ . 1 . ]" 1
168 1 69 GLY H 1 70 ILE H 5.000 3.700 5.000 4.653 3.782 4.958 . 0 0 "[ . 1 . ]" 1
169 1 67 GLY QA 1 68 LYS H 3.700 2.900 3.700 2.837 2.713 2.975 0.187 9 0 "[ . 1 . ]" 1
170 1 27 ASP H 1 29 GLU H 4.400 4.000 4.400 4.263 4.002 4.435 0.035 13 0 "[ . 1 . ]" 1
171 1 27 ASP H 1 30 SER H 5.000 3.700 5.000 4.696 4.474 4.787 . 0 0 "[ . 1 . ]" 1
172 1 25 ARG HA 1 27 ASP H 4.600 4.000 4.600 4.237 3.984 4.422 0.016 13 0 "[ . 1 . ]" 1
173 1 27 ASP H 1 28 PHE QD 5.000 3.700 5.000 4.303 3.841 4.973 . 0 0 "[ . 1 . ]" 1
174 1 146 SER H 1 149 GLU H 4.500 3.500 4.500 3.823 3.617 4.198 . 0 0 "[ . 1 . ]" 1
175 1 146 SER H 1 146 SER QB . 2.900 2.900 2.469 2.145 2.635 0.755 5 1 "[ + 1 . ]" 1
176 1 145 LEU HB2 1 146 SER H 4.500 3.500 4.500 4.291 4.185 4.369 . 0 0 "[ . 1 . ]" 1
177 1 145 LEU HB3 1 146 SER H 5.000 3.700 5.000 3.659 3.514 3.788 0.186 6 0 "[ . 1 . ]" 1
178 1 145 LEU QD 1 146 SER H 5.000 3.700 5.000 4.140 3.902 4.320 . 0 0 "[ . 1 . ]" 1
179 1 62 THR HB 1 63 ALA H 5.000 3.700 5.000 2.946 2.668 3.254 1.032 2 16 "[*+***** *****-***]" 1
180 1 62 THR HA 1 63 ALA H 3.700 2.900 3.700 3.515 3.496 3.578 . 0 0 "[ . 1 . ]" 1
181 1 16 ASP H 1 23 ILE MD 3.700 2.900 3.700 2.971 2.860 3.096 0.040 15 0 "[ . 1 . ]" 1
182 1 24 THR H 1 25 ARG H 5.000 3.700 5.000 4.512 4.413 4.623 . 0 0 "[ . 1 . ]" 1
183 1 24 THR HA 1 25 ARG H 2.900 . 2.900 2.460 2.311 2.575 . 0 0 "[ . 1 . ]" 1
184 1 24 THR MG 1 25 ARG H 5.000 3.700 5.000 4.028 3.724 4.218 . 0 0 "[ . 1 . ]" 1
185 1 25 ARG H 1 27 ASP H 5.000 3.700 5.000 4.648 4.434 4.809 . 0 0 "[ . 1 . ]" 1
186 1 154 GLY QA 1 156 ASP H 4.600 4.200 4.600 4.247 4.071 4.363 0.129 12 0 "[ . 1 . ]" 1
187 1 62 THR HA 1 65 ALA H 5.000 3.700 5.000 4.329 4.041 4.627 . 0 0 "[ . 1 . ]" 1
188 1 64 VAL HA 1 65 ALA H 3.700 2.900 3.700 3.639 3.588 3.718 0.018 7 0 "[ . 1 . ]" 1
189 1 65 ALA H 1 66 GLY HA2 5.000 3.700 5.000 4.552 4.414 4.648 . 0 0 "[ . 1 . ]" 1
190 1 65 ALA H 1 66 GLY HA3 5.000 3.700 5.000 4.985 4.768 5.048 0.048 1 0 "[ . 1 . ]" 1
191 1 65 ALA H 1 67 GLY H 3.700 2.900 3.700 3.599 3.296 3.858 0.158 12 0 "[ . 1 . ]" 1
192 1 30 SER H 1 32 ALA H 4.400 4.000 4.400 4.330 4.223 4.414 0.014 4 0 "[ . 1 . ]" 1
193 1 28 PHE HA 1 32 ALA H 4.000 3.000 4.000 3.886 3.751 4.006 0.006 10 0 "[ . 1 . ]" 1
194 1 120 PHE H 1 121 GLY QA 5.000 3.700 5.000 4.868 4.769 4.935 . 0 0 "[ . 1 . ]" 1
195 1 117 GLY QA 1 120 PHE H 3.700 3.700 3.700 3.451 3.305 3.607 0.395 9 0 "[ . 1 . ]" 1
196 1 70 ILE MG 1 74 THR H 5.000 3.700 5.000 4.438 4.217 4.694 . 0 0 "[ . 1 . ]" 1
197 1 136 ALA H 1 137 ILE HB 5.000 3.700 5.000 5.004 4.908 5.040 0.040 17 0 "[ . 1 . ]" 1
198 1 136 ALA H 1 137 ILE QG 5.000 3.700 5.000 4.044 3.740 4.355 . 0 0 "[ . 1 . ]" 1
199 1 60 PHE HA 1 63 ALA H 5.000 3.700 5.000 4.359 3.950 4.978 . 0 0 "[ . 1 . ]" 1
200 1 92 VAL H 1 93 GLU QB 5.000 3.700 5.000 4.502 3.989 5.163 0.163 5 0 "[ . 1 . ]" 1
201 1 75 PHE HA 1 76 ILE H 3.700 3.300 3.700 3.662 3.628 3.697 . 0 0 "[ . 1 . ]" 1
202 1 73 THR HA 1 76 ILE H 3.700 3.300 3.700 3.744 3.703 3.769 0.069 5 0 "[ . 1 . ]" 1
203 1 166 ASN HA 1 167 LYS H 3.700 2.900 3.700 3.136 2.861 3.426 0.039 4 0 "[ . 1 . ]" 1
204 1 166 ASN QB 1 167 LYS H 5.000 3.700 5.000 3.878 3.527 4.131 0.173 7 0 "[ . 1 . ]" 1
205 1 8 MET HA 1 9 LYS H 3.700 3.300 3.700 3.638 3.579 3.701 0.001 4 0 "[ . 1 . ]" 1
206 1 9 LYS H 1 10 THR HA 5.500 5.000 5.500 5.509 5.431 5.556 0.056 4 0 "[ . 1 . ]" 1
207 1 62 THR H 1 64 VAL H 5.000 3.700 5.000 4.514 4.131 4.683 . 0 0 "[ . 1 . ]" 1
208 1 62 THR HA 1 64 VAL H 3.700 2.900 3.700 3.761 3.721 3.796 0.096 2 0 "[ . 1 . ]" 1
209 1 62 THR MG 1 64 VAL H 5.000 3.700 5.000 4.875 4.631 4.942 . 0 0 "[ . 1 . ]" 1
210 1 61 LEU QB 1 64 VAL H 5.000 3.700 5.000 5.250 4.382 6.038 1.038 8 9 "[ *. *+ * * ***-]" 1
211 1 64 VAL H 1 70 ILE QG 5.000 3.700 5.000 4.799 4.235 5.298 0.298 11 0 "[ . 1 . ]" 1
212 1 137 ILE HA 1 139 THR H 5.000 3.700 5.000 4.257 3.986 4.704 . 0 0 "[ . 1 . ]" 1
213 1 137 ILE MG 1 139 THR H 5.000 3.700 5.000 4.052 3.866 4.276 . 0 0 "[ . 1 . ]" 1
214 1 139 THR H 1 145 LEU QD 5.000 3.700 5.000 4.224 3.918 4.559 . 0 0 "[ . 1 . ]" 1
215 1 138 ASP H 1 139 THR H 5.000 3.700 5.000 3.905 3.716 4.113 . 0 0 "[ . 1 . ]" 1
216 1 136 ALA MB 1 138 ASP H 5.000 3.700 5.000 4.846 4.728 4.962 . 0 0 "[ . 1 . ]" 1
217 1 136 ALA HA 1 138 ASP H 5.000 3.700 5.000 4.880 4.692 5.012 0.012 14 0 "[ . 1 . ]" 1
218 1 134 PHE QD 1 138 ASP H 5.000 3.700 5.000 4.207 3.761 5.047 0.047 1 0 "[ . 1 . ]" 1
219 1 135 ASP HA 1 138 ASP H 3.700 2.900 3.700 3.525 3.253 3.715 0.015 10 0 "[ . 1 . ]" 1
220 1 134 PHE QE 1 144 LEU H 5.000 3.700 5.000 3.690 3.228 4.442 0.472 4 0 "[ . 1 . ]" 1
221 1 24 THR H 1 28 PHE QD 5.000 3.700 5.000 4.457 3.850 5.109 0.109 9 0 "[ . 1 . ]" 1
222 1 24 THR H 1 28 PHE QE 5.000 3.700 5.000 4.655 3.910 5.942 0.942 9 1 "[ . +1 . ]" 1
223 1 23 ILE HB 1 24 THR H 5.000 3.700 5.000 4.241 3.952 4.589 . 0 0 "[ . 1 . ]" 1
224 1 23 ILE MD 1 24 THR H 5.000 3.700 5.000 4.110 3.523 4.373 0.177 3 0 "[ . 1 . ]" 1
225 1 102 ALA HA 1 104 ASP H 5.000 3.700 5.000 4.496 4.241 4.933 . 0 0 "[ . 1 . ]" 1
226 1 104 ASP H 1 111 ILE HG12 5.000 3.700 5.000 3.902 3.671 4.319 0.029 8 0 "[ . 1 . ]" 1
227 1 103 VAL QG 1 104 ASP H 5.000 3.700 5.000 3.531 2.966 3.722 0.734 6 1 "[ .+ 1 . ]" 1
228 1 102 ALA MB 1 104 ASP H 5.000 3.700 5.000 4.606 4.390 4.787 . 0 0 "[ . 1 . ]" 1
229 1 48 VAL H 1 50 MET H 4.400 4.000 4.400 4.330 4.119 4.424 0.024 14 0 "[ . 1 . ]" 1
230 1 137 ILE H 1 145 LEU QD 3.700 2.900 3.700 3.758 3.691 3.888 0.188 8 0 "[ . 1 . ]" 1
231 1 137 ILE H 1 138 ASP QB 5.000 3.700 5.000 4.116 3.853 4.459 . 0 0 "[ . 1 . ]" 1
232 1 146 SER QB 1 149 GLU H 3.700 3.700 3.700 4.048 3.094 4.273 0.606 5 8 "[ * + * *1* -.**]" 1
233 1 146 SER HA 1 149 GLU H 5.000 3.700 5.000 5.007 4.843 5.049 0.049 16 0 "[ . 1 . ]" 1
234 1 155 SER H 1 156 ASP QB 5.000 3.700 5.000 4.551 4.399 4.841 . 0 0 "[ . 1 . ]" 1
235 1 54 THR HA 1 57 TRP H 3.600 3.200 3.600 3.604 3.509 3.697 0.097 7 0 "[ . 1 . ]" 1
236 1 57 TRP H 1 59 ASN H 4.400 4.000 4.400 4.266 4.114 4.442 0.042 7 0 "[ . 1 . ]" 1
237 1 96 LEU HA 1 99 PHE H 3.600 3.200 3.600 3.358 3.180 3.548 0.020 5 0 "[ . 1 . ]" 1
238 1 96 LEU HA 1 97 PRO QD 3.700 2.800 3.700 3.731 3.695 3.771 0.071 12 0 "[ . 1 . ]" 1
239 1 95 PRO HA 1 99 PHE H 5.000 3.700 5.000 4.168 3.697 4.452 0.003 13 0 "[ . 1 . ]" 1
240 1 56 VAL HA 1 95 PRO HA 5.000 3.700 5.000 3.830 3.588 4.720 0.112 12 0 "[ . 1 . ]" 1
241 1 98 LEU QD 1 99 PHE H 3.700 2.900 3.700 3.921 2.744 4.320 0.620 9 4 "[ -.* +1 .* ]" 1
242 1 11 TYR HA 1 12 PHE H 3.700 3.300 3.700 3.616 3.562 3.678 . 0 0 "[ . 1 . ]" 1
243 1 8 MET HA 1 12 PHE H 5.000 3.700 5.000 3.970 3.696 4.294 0.004 5 0 "[ . 1 . ]" 1
244 1 135 ASP H 1 137 ILE H 4.400 4.000 4.400 4.355 4.286 4.427 0.027 15 0 "[ . 1 . ]" 1
245 1 108 ASP HA 1 109 ASN H 3.700 2.900 3.700 3.488 3.327 3.566 . 0 0 "[ . 1 . ]" 1
246 1 107 GLU H 1 109 ASN H 5.000 3.700 5.000 4.501 4.136 4.682 . 0 0 "[ . 1 . ]" 1
247 1 150 PHE H 1 151 VAL H 3.000 2.600 3.000 2.817 2.691 2.923 . 0 0 "[ . 1 . ]" 1
248 1 115 GLU H 1 116 TYR H 3.000 2.600 3.000 2.780 2.638 2.887 . 0 0 "[ . 1 . ]" 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 185
_Distance_constraint_stats_list.Viol_count 964
_Distance_constraint_stats_list.Viol_total 3722.776
_Distance_constraint_stats_list.Viol_max 1.768
_Distance_constraint_stats_list.Viol_rms 0.1928
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0696
_Distance_constraint_stats_list.Viol_average_violations_only 0.2272
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 LYS 0.339 0.077 6 0 "[ . 1 . ]"
1 11 TYR 0.813 0.102 12 0 "[ . 1 . ]"
1 12 PHE 4.658 0.687 12 3 "[ . *- 1 + . ]"
1 13 ASN 11.394 1.768 13 8 "[* ***-*1 *+ . ]"
1 14 ARG 11.324 0.635 4 7 "[ * +* *1-* .* ]"
1 15 ILE 0.647 0.290 17 0 "[ . 1 . ]"
1 17 PHE 12.004 1.366 2 10 "[ +* .**-*1****. ]"
1 18 ASP 12.430 1.366 2 10 "[ +* .**-*1****. ]"
1 19 LYS 0.449 0.061 10 0 "[ . 1 . ]"
1 20 ASP 2.186 0.190 17 0 "[ . 1 . ]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 22 ALA 2.163 0.190 17 0 "[ . 1 . ]"
1 23 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 24 THR 11.093 1.253 5 5 "[ -**+ 1 *. ]"
1 25 ARG 13.065 0.892 5 16 "[****+-****** ****]"
1 26 MET 15.276 0.903 14 16 "[*****-****** +***]"
1 29 GLU 0.119 0.082 17 0 "[ . 1 . ]"
1 30 SER 0.124 0.082 17 0 "[ . 1 . ]"
1 31 MET 0.005 0.005 16 0 "[ . 1 . ]"
1 38 GLU 0.922 0.169 15 0 "[ . 1 . ]"
1 39 SER 3.661 0.469 13 0 "[ . 1 . ]"
1 40 GLU 0.075 0.075 10 0 "[ . 1 . ]"
1 41 MET 2.664 0.469 13 0 "[ . 1 . ]"
1 52 SER 0.482 0.058 9 0 "[ . 1 . ]"
1 53 LEU 3.350 0.543 13 1 "[ . 1 + . ]"
1 54 THR 7.635 0.543 13 1 "[ . 1 + . ]"
1 55 GLY 0.652 0.092 10 0 "[ . 1 . ]"
1 56 VAL 0.142 0.092 10 0 "[ . 1 . ]"
1 58 ASP 2.944 0.811 2 1 "[ + . 1 . ]"
1 59 ASN 24.383 1.164 16 14 "[-***.******* *+*]"
1 60 PHE 22.477 1.164 16 13 "[- **.******* *+*]"
1 61 LEU 8.566 0.726 2 7 "[-+* .* *1 * * ]"
1 62 THR 18.037 0.726 2 17 [*+*****-*********]
1 63 ALA 0.279 0.044 16 0 "[ . 1 . ]"
1 64 VAL 0.071 0.028 12 0 "[ . 1 . ]"
1 65 ALA 0.895 0.183 13 0 "[ . 1 . ]"
1 66 GLY 0.903 0.122 14 0 "[ . 1 . ]"
1 67 GLY 0.310 0.183 13 0 "[ . 1 . ]"
1 68 LYS 4.607 1.041 13 4 "[ * -* 1 + . ]"
1 69 GLY 13.490 1.253 5 6 "[ -**+ 1 **. ]"
1 72 GLU 0.030 0.012 17 0 "[ . 1 . ]"
1 73 THR 0.071 0.015 17 0 "[ . 1 . ]"
1 74 THR 0.041 0.015 17 0 "[ . 1 . ]"
1 80 LYS 0.176 0.065 12 0 "[ . 1 . ]"
1 81 GLU 0.176 0.065 12 0 "[ . 1 . ]"
1 82 MET 1.623 0.418 4 0 "[ . 1 . ]"
1 83 VAL 1.794 0.418 4 0 "[ . 1 . ]"
1 84 LYS 0.171 0.107 3 0 "[ . 1 . ]"
1 89 LYS 1.851 0.553 3 1 "[ + . 1 . ]"
1 90 SER 2.767 0.553 3 1 "[ + . 1 . ]"
1 91 VAL 0.360 0.057 14 0 "[ . 1 . ]"
1 92 VAL 3.232 0.522 14 1 "[ . 1 +. ]"
1 93 GLU 9.117 0.962 16 7 "[** * * 1* -.+ ]"
1 94 GLY 6.534 0.962 16 6 "[-* * * 1* .+ ]"
1 95 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 96 LEU 14.242 1.356 8 12 "[ *****+ * * ***-]"
1 97 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 100 PHE 0.726 0.260 11 0 "[ . 1 . ]"
1 109 ASN 2.708 0.445 17 0 "[ . 1 . ]"
1 110 ASN 13.585 0.855 3 16 "[**+** ******-****]"
1 111 ILE 11.194 0.855 3 16 "[**+** ******-****]"
1 113 ARG 1.033 0.529 17 1 "[ . 1 . +]"
1 114 ASP 0.122 0.056 1 0 "[ . 1 . ]"
1 116 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 117 GLY 7.840 0.650 6 8 "[ ***.+ *1** . -]"
1 118 ILE 0.011 0.011 1 0 "[ . 1 . ]"
1 120 PHE 2.647 0.785 16 2 "[ . - .+ ]"
1 121 GLY 11.294 0.772 9 7 "[ ** +1* *-* ]"
1 122 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 123 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 124 GLY 2.285 0.258 7 0 "[ . 1 . ]"
1 125 LEU 0.698 0.270 11 0 "[ . 1 . ]"
1 126 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 127 LYS 8.649 0.772 9 7 "[ ** +1* *-* ]"
1 128 THR 1.146 0.564 4 1 "[ +. 1 . ]"
1 129 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 130 ALA 7.186 0.650 6 8 "[ ***.+ -1** . *]"
1 132 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 133 SER 0.322 0.040 10 0 "[ . 1 . ]"
1 134 PHE 1.217 0.554 4 1 "[ +. 1 . ]"
1 135 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 139 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 140 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 141 ASN 2.968 0.737 2 2 "[ + . - 1 . ]"
1 142 ASP 0.049 0.026 8 0 "[ . 1 . ]"
1 143 GLY 1.399 0.554 4 1 "[ +. 1 . ]"
1 144 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 146 SER 0.054 0.030 7 0 "[ . 1 . ]"
1 151 VAL 0.504 0.094 9 0 "[ . 1 . ]"
1 153 ALA 4.089 0.503 4 1 "[ +. 1 . ]"
1 154 GLY 18.048 1.356 8 12 "[ *-***+ * * ****]"
1 155 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 156 ASP 0.626 0.090 4 0 "[ . 1 . ]"
1 157 PHE 4.020 0.949 11 1 "[ . 1+ . ]"
1 158 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 159 MET 2.661 0.687 14 3 "[-* . 1 +. ]"
1 160 ASN 0.059 0.039 13 0 "[ . 1 . ]"
1 161 ASP 0.366 0.059 11 0 "[ . 1 . ]"
1 162 GLY 0.366 0.059 11 0 "[ . 1 . ]"
1 165 THR 5.367 0.907 13 6 "[* *. -1 + * *]"
1 166 ASN 5.615 0.907 13 6 "[* *. -1 + * *]"
1 167 LYS 3.325 0.375 13 0 "[ . 1 . ]"
1 168 VAL 9.375 1.150 1 5 "[+ * . 1 *- * ]"
1 169 PHE 0.418 0.271 13 0 "[ . 1 . ]"
1 170 TRP 4.033 0.949 11 1 "[ . 1+ . ]"
1 171 GLY 8.904 1.150 1 7 "[+ * . - ** ** ]"
1 174 VAL 6.308 1.768 13 5 "[* -* *1 + . ]"
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 1 167 LYS HG3 1 168 VAL H 3.200 . 3.200 3.309 2.836 3.575 0.375 13 0 "[ . 1 . ]" 2
2 1 167 LYS HG2 1 168 VAL H 3.500 2.500 3.500 3.153 2.547 3.589 0.089 5 0 "[ . 1 . ]" 2
3 1 167 LYS HB2 1 168 VAL H 5.000 3.700 5.000 4.109 3.945 4.269 . 0 0 "[ . 1 . ]" 2
4 1 116 TYR H 1 117 GLY H 3.000 2.600 3.000 2.739 2.664 2.818 . 0 0 "[ . 1 . ]" 2
5 1 117 GLY H 1 118 ILE H 3.000 2.600 3.000 2.902 2.764 3.011 0.011 1 0 "[ . 1 . ]" 2
6 1 116 TYR QD 1 117 GLY H 5.000 3.700 5.000 4.143 3.797 4.492 . 0 0 "[ . 1 . ]" 2
7 1 114 ASP HA 1 117 GLY H 3.600 3.200 3.600 3.351 3.144 3.613 0.056 1 0 "[ . 1 . ]" 2
8 1 117 GLY H 1 130 ALA MB 5.000 3.700 5.000 3.344 3.050 4.213 0.650 6 8 "[ ***.+ -1** . *]" 2
9 1 113 ARG HA 1 117 GLY H 5.000 3.700 5.000 4.005 3.691 4.361 0.009 7 0 "[ . 1 . ]" 2
10 1 113 ARG QB 1 117 GLY H 5.000 3.700 5.000 4.946 4.676 5.529 0.529 17 1 "[ . 1 . +]" 2
11 1 68 LYS QB 1 69 GLY H 2.900 . 2.900 2.989 2.301 3.941 1.041 13 4 "[ * -* 1 + . ]" 2
12 1 24 THR MG 1 69 GLY H 3.700 2.900 3.700 3.420 2.247 3.902 0.653 3 2 "[ -+ . 1 . ]" 2
13 1 24 THR HA 1 69 GLY H 5.000 3.700 5.000 4.611 3.662 5.027 0.038 5 0 "[ . 1 . ]" 2
14 1 24 THR HB 1 69 GLY H 5.000 3.700 5.000 3.329 2.447 4.083 1.253 5 3 "[ *+ 1 -. ]" 2
15 1 120 PHE H 1 121 GLY H 3.000 2.600 3.000 2.955 2.791 3.024 0.024 4 0 "[ . 1 . ]" 2
16 1 120 PHE HA 1 121 GLY H 3.700 3.300 3.700 3.650 3.526 3.695 . 0 0 "[ . 1 . ]" 2
17 1 121 GLY H 1 127 LYS HA 5.000 3.700 5.000 4.333 3.648 5.007 0.052 4 0 "[ . 1 . ]" 2
18 1 121 GLY H 1 127 LYS QG . 3.700 3.700 4.031 3.077 4.472 0.772 9 7 "[ ** +1* *-* ]" 2
19 1 53 LEU H 1 54 THR H 3.000 2.400 3.000 2.675 2.386 2.858 0.014 13 0 "[ . 1 . ]" 2
20 1 54 THR H 1 55 GLY H 3.000 2.600 3.000 2.701 2.585 2.762 0.015 7 0 "[ . 1 . ]" 2
21 1 53 LEU HA 1 54 THR H 3.700 3.300 3.700 3.573 3.280 3.626 0.020 13 0 "[ . 1 . ]" 2
22 1 54 THR H 1 54 THR HA 3.700 2.900 3.700 2.997 2.976 3.068 . 0 0 "[ . 1 . ]" 2
23 1 54 THR H 1 54 THR MG 3.700 2.900 3.700 2.650 2.563 2.902 0.337 3 0 "[ . 1 . ]" 2
24 1 53 LEU QB 1 54 THR H 2.900 2.900 2.900 2.769 2.530 3.443 0.543 13 1 "[ . 1 + . ]" 2
25 1 124 GLY H 1 125 LEU H 2.900 . 2.900 2.564 2.409 2.844 . 0 0 "[ . 1 . ]" 2
26 1 123 LEU H 1 124 GLY H 2.900 . 2.900 2.741 2.498 2.900 . 0 0 "[ . 1 . ]" 2
27 1 123 LEU HA 1 124 GLY H 3.700 2.900 3.700 3.374 3.314 3.445 . 0 0 "[ . 1 . ]" 2
28 1 121 GLY QA 1 124 GLY H . 3.700 3.700 3.794 3.572 3.958 0.258 7 0 "[ . 1 . ]" 2
29 1 122 MET QB 1 124 GLY H 5.000 3.700 5.000 4.463 4.395 4.537 . 0 0 "[ . 1 . ]" 2
30 1 121 GLY QA 1 125 LEU H 3.700 2.900 3.700 3.060 2.630 3.806 0.270 11 0 "[ . 1 . ]" 2
31 1 170 TRP H 1 171 GLY H 2.900 . 2.900 2.559 2.186 2.907 0.007 11 0 "[ . 1 . ]" 2
32 1 120 PHE HZ 1 171 GLY H 2.900 . 2.900 2.891 2.638 2.970 0.070 11 0 "[ . 1 . ]" 2
33 1 120 PHE QE 1 171 GLY H 5.000 3.700 5.000 3.657 2.915 4.059 0.785 16 2 "[ . - .+ ]" 2
34 1 168 VAL QG 1 171 GLY H 5.000 3.700 5.000 3.615 2.550 4.410 1.150 1 5 "[+ * . 1 *- * ]" 2
35 1 161 ASP H 1 162 GLY H 2.900 . 2.900 2.792 2.245 2.959 0.059 11 0 "[ . 1 . ]" 2
36 1 161 ASP HA 1 162 GLY H 3.700 2.900 3.700 3.208 2.843 3.583 0.057 11 0 "[ . 1 . ]" 2
37 1 154 GLY H 1 155 SER H 2.900 . 2.900 2.721 2.627 2.863 . 0 0 "[ . 1 . ]" 2
38 1 153 ALA H 1 154 GLY H 3.000 2.600 3.000 2.951 2.882 3.021 0.021 4 0 "[ . 1 . ]" 2
39 1 154 GLY H 1 169 PHE QE 3.700 2.900 3.700 3.138 2.629 3.710 0.271 13 0 "[ . 1 . ]" 2
40 1 153 ALA HA 1 154 GLY H 3.700 3.300 3.700 3.636 3.587 3.667 . 0 0 "[ . 1 . ]" 2
41 1 151 VAL HA 1 154 GLY H 3.600 3.200 3.600 3.614 3.484 3.694 0.094 9 0 "[ . 1 . ]" 2
42 1 153 ALA MB 1 154 GLY H 3.700 2.900 3.700 2.663 2.397 2.915 0.503 4 1 "[ +. 1 . ]" 2
43 1 96 LEU QD 1 154 GLY H 3.700 3.700 3.700 2.933 2.344 3.592 1.356 8 12 "[ *****+ * * ***-]" 2
44 1 66 GLY H 1 67 GLY H 3.700 2.900 3.700 3.130 2.900 3.406 0.000 10 0 "[ . 1 . ]" 2
45 1 65 ALA MB 1 67 GLY H 5.000 3.700 5.000 4.080 3.517 4.913 0.183 13 0 "[ . 1 . ]" 2
46 1 93 GLU H 1 94 GLY H 3.000 2.400 3.000 2.652 2.460 2.834 . 0 0 "[ . 1 . ]" 2
47 1 93 GLU HA 1 94 GLY H 3.700 3.300 3.700 3.570 3.495 3.644 . 0 0 "[ . 1 . ]" 2
48 1 93 GLU QB 1 94 GLY H 2.900 . 2.900 3.055 2.378 3.862 0.962 16 6 "[-* * * 1* .+ ]" 2
49 1 65 ALA H 1 66 GLY H 2.900 . 2.900 2.451 2.268 2.595 . 0 0 "[ . 1 . ]" 2
50 1 65 ALA HA 1 66 GLY H 3.700 2.900 3.700 2.952 2.861 3.231 0.039 14 0 "[ . 1 . ]" 2
51 1 63 ALA HA 1 66 GLY H 5.000 3.700 5.000 3.733 3.656 4.052 0.044 16 0 "[ . 1 . ]" 2
52 1 64 VAL HB 1 66 GLY H 5.000 3.700 5.000 4.905 4.679 5.028 0.028 12 0 "[ . 1 . ]" 2
53 1 65 ALA MB 1 66 GLY H 3.700 2.900 3.700 3.694 3.563 3.822 0.122 14 0 "[ . 1 . ]" 2
54 1 14 ARG H 1 15 ILE H 3.000 2.600 3.000 2.776 2.578 3.006 0.022 8 0 "[ . 1 . ]" 2
55 1 15 ILE H 1 15 ILE HA 3.700 2.900 3.700 2.983 2.791 3.046 0.109 5 0 "[ . 1 . ]" 2
56 1 14 ARG HB2 1 15 ILE H 3.700 2.900 3.700 2.933 2.610 3.200 0.290 17 0 "[ . 1 . ]" 2
57 1 82 MET H 1 83 VAL H 3.000 2.600 3.000 2.767 2.495 3.022 0.105 17 0 "[ . 1 . ]" 2
58 1 83 VAL H 1 84 LYS H 2.900 . 2.900 2.812 2.394 3.007 0.107 3 0 "[ . 1 . ]" 2
59 1 82 MET HA 1 83 VAL H 4.500 3.300 4.500 3.585 3.505 3.694 . 0 0 "[ . 1 . ]" 2
60 1 80 LYS HA 1 83 VAL H 5.000 3.700 5.000 4.278 3.860 4.920 . 0 0 "[ . 1 . ]" 2
61 1 82 MET QB 1 83 VAL H 3.700 2.900 3.700 2.925 2.482 3.747 0.418 4 0 "[ . 1 . ]" 2
62 1 90 SER H 1 91 VAL H 3.000 2.600 3.000 3.011 2.839 3.057 0.057 14 0 "[ . 1 . ]" 2
63 1 89 LYS H 1 90 SER H 3.000 2.600 3.000 3.023 3.002 3.047 0.047 15 0 "[ . 1 . ]" 2
64 1 89 LYS HA 1 90 SER H 3.700 3.300 3.700 3.477 3.276 3.566 0.024 3 0 "[ . 1 . ]" 2
65 1 89 LYS QB 1 90 SER H 2.900 . 2.900 2.791 2.345 3.453 0.553 3 1 "[ + . 1 . ]" 2
66 1 90 SER H 1 91 VAL QG 5.000 3.700 5.000 4.211 4.018 4.565 . 0 0 "[ . 1 . ]" 2
67 1 55 GLY H 1 56 VAL H 3.000 2.600 3.000 2.854 2.508 2.967 0.092 10 0 "[ . 1 . ]" 2
68 1 52 SER HA 1 55 GLY H 3.600 3.200 3.600 3.616 3.454 3.658 0.058 9 0 "[ . 1 . ]" 2
69 1 58 ASP H 1 59 ASN H 3.000 2.600 3.000 3.009 2.971 3.034 0.034 3 0 "[ . 1 . ]" 2
70 1 59 ASN H 1 60 PHE H 2.900 . 2.900 2.242 2.028 2.312 . 0 0 "[ . 1 . ]" 2
71 1 59 ASN H 1 60 PHE QD 3.700 2.800 3.700 4.455 3.610 4.864 1.164 16 12 "[* *.**-**** *+*]" 2
72 1 58 ASP HA 1 59 ASN H 3.700 3.300 3.700 3.511 3.450 3.545 . 0 0 "[ . 1 . ]" 2
73 1 58 ASP HB2 1 59 ASN H 2.900 . 2.900 3.039 2.832 3.711 0.811 2 1 "[ + . 1 . ]" 2
74 1 58 ASP HB3 1 59 ASN H 3.700 2.900 3.700 3.629 2.986 3.764 0.064 15 0 "[ . 1 . ]" 2
75 1 59 ASN H 1 62 THR HB 5.000 3.700 5.000 4.517 4.369 4.650 . 0 0 "[ . 1 . ]" 2
76 1 59 ASN H 1 62 THR MG 5.000 3.700 5.000 4.875 4.849 4.889 . 0 0 "[ . 1 . ]" 2
77 1 92 VAL H 1 93 GLU H 2.500 . 2.500 2.357 2.106 2.520 0.020 5 0 "[ . 1 . ]" 2
78 1 90 SER HA 1 93 GLU H 3.200 2.800 3.200 3.132 2.773 3.296 0.096 15 0 "[ . 1 . ]" 2
79 1 92 VAL QG 1 93 GLU H 3.700 2.900 3.700 2.771 2.378 3.249 0.522 14 1 "[ . 1 +. ]" 2
80 1 159 MET H 1 160 ASN H 2.900 . 2.900 2.624 2.324 2.939 0.039 13 0 "[ . 1 . ]" 2
81 1 158 PHE H 1 159 MET H 3.000 2.600 3.000 2.847 2.647 2.967 . 0 0 "[ . 1 . ]" 2
82 1 156 ASP HA 1 159 MET H 3.600 3.200 3.600 3.611 3.184 3.690 0.090 4 0 "[ . 1 . ]" 2
83 1 159 MET H 1 159 MET QG 2.900 . 2.900 2.833 2.375 3.587 0.687 14 3 "[-* . 1 +. ]" 2
84 1 128 THR H 1 129 MET H 3.000 2.600 3.000 2.740 2.635 2.868 . 0 0 "[ . 1 . ]" 2
85 1 128 THR H 1 130 ALA H 4.400 4.000 4.400 4.367 4.174 4.436 0.036 11 0 "[ . 1 . ]" 2
86 1 126 ASP HA 1 128 THR H 5.000 3.700 5.000 4.019 3.700 4.288 . 0 0 "[ . 1 . ]" 2
87 1 127 LYS QB 1 128 THR H 3.700 2.900 3.700 3.191 2.782 3.923 0.223 2 0 "[ . 1 . ]" 2
88 1 128 THR H 1 128 THR MG 2.900 . 2.900 2.554 2.351 3.464 0.564 4 1 "[ +. 1 . ]" 2
89 1 157 PHE QE 1 170 TRP H 5.000 3.700 5.000 3.493 2.751 3.860 0.949 11 1 "[ . 1+ . ]" 2
90 1 20 ASP H 1 21 GLY H 2.900 . 2.900 2.531 2.342 2.738 . 0 0 "[ . 1 . ]" 2
91 1 20 ASP H 1 21 GLY QA 5.000 3.700 5.000 4.614 4.447 4.785 . 0 0 "[ . 1 . ]" 2
92 1 21 GLY H 1 22 ALA H 2.900 . 2.900 2.393 2.230 2.552 . 0 0 "[ . 1 . ]" 2
93 1 22 ALA H 1 23 ILE H 5.000 3.700 5.000 4.457 4.371 4.547 . 0 0 "[ . 1 . ]" 2
94 1 20 ASP H 1 22 ALA H 3.700 2.900 3.700 3.827 3.770 3.890 0.190 17 0 "[ . 1 . ]" 2
95 1 19 LYS HA 1 21 GLY H 3.700 2.900 3.700 3.346 3.056 3.592 . 0 0 "[ . 1 . ]" 2
96 1 142 ASP H 1 143 GLY H 2.900 . 2.900 2.492 2.011 2.708 . 0 0 "[ . 1 . ]" 2
97 1 140 ASN H 1 142 ASP H 5.000 3.700 5.000 4.408 4.084 4.742 . 0 0 "[ . 1 . ]" 2
98 1 143 GLY H 1 144 LEU H 2.900 . 2.900 2.459 1.971 2.614 . 0 0 "[ . 1 . ]" 2
99 1 134 PHE QE 1 143 GLY H 5.000 3.700 5.000 3.850 3.146 4.734 0.554 4 1 "[ +. 1 . ]" 2
100 1 134 PHE HZ 1 143 GLY H 5.100 4.000 5.100 5.068 4.779 5.140 0.040 8 0 "[ . 1 . ]" 2
101 1 141 ASN HA 1 143 GLY H 3.700 2.900 3.700 3.524 3.229 3.864 0.164 2 0 "[ . 1 . ]" 2
102 1 38 GLU H 1 39 SER H 2.900 . 2.900 2.795 2.579 3.069 0.169 15 0 "[ . 1 . ]" 2
103 1 39 SER H 1 40 GLU H 5.000 3.700 5.000 4.495 3.625 4.663 0.075 10 0 "[ . 1 . ]" 2
104 1 38 GLU HA 1 39 SER H 3.700 2.900 3.700 3.392 2.876 3.574 0.024 2 0 "[ . 1 . ]" 2
105 1 39 SER H 1 41 MET ME 2.900 . 2.900 2.944 1.641 3.369 0.469 13 0 "[ . 1 . ]" 2
106 1 38 GLU HB3 1 39 SER H 5.000 3.700 5.000 3.987 3.616 4.487 0.084 15 0 "[ . 1 . ]" 2
107 1 38 GLU HB2 1 39 SER H 5.000 3.700 5.000 3.926 3.640 4.484 0.060 4 0 "[ . 1 . ]" 2
108 1 12 PHE H 1 13 ASN H 3.000 2.600 3.000 2.799 2.605 2.884 . 0 0 "[ . 1 . ]" 2
109 1 12 PHE QD 1 13 ASN H 5.000 3.700 5.000 3.446 3.013 3.872 0.687 12 3 "[ . *- 1 + . ]" 2
110 1 12 PHE HA 1 13 ASN H 3.700 3.300 3.700 3.606 3.532 3.644 . 0 0 "[ . 1 . ]" 2
111 1 12 PHE HB3 1 13 ASN H 2.900 . 2.900 2.577 2.435 2.942 0.042 5 0 "[ . 1 . ]" 2
112 1 12 PHE HB2 1 13 ASN H 5.000 3.700 5.000 3.868 3.791 4.076 . 0 0 "[ . 1 . ]" 2
113 1 9 LYS HA 1 13 ASN H 5.000 3.700 5.000 3.707 3.623 3.897 0.077 6 0 "[ . 1 . ]" 2
114 1 13 ASN QD 1 174 VAL QG 5.000 3.700 5.000 3.411 1.932 4.147 1.768 13 5 "[* -* *1 + . ]" 2
115 1 18 ASP H 1 19 LYS H 2.900 . 2.900 2.601 2.312 2.794 . 0 0 "[ . 1 . ]" 2
116 1 19 LYS H 1 20 ASP H 3.700 2.900 3.700 3.144 2.877 3.452 0.023 15 0 "[ . 1 . ]" 2
117 1 18 ASP HA 1 19 LYS H 3.700 3.300 3.700 3.381 3.258 3.499 0.042 16 0 "[ . 1 . ]" 2
118 1 18 ASP HB3 1 19 LYS H 5.000 3.700 5.000 4.119 3.639 4.562 0.061 10 0 "[ . 1 . ]" 2
119 1 19 LYS H 1 19 LYS HA 2.900 . 2.900 2.286 2.218 2.324 . 0 0 "[ . 1 . ]" 2
120 1 17 PHE H 1 19 LYS H 5.000 3.700 5.000 4.294 3.941 4.683 . 0 0 "[ . 1 . ]" 2
121 1 60 PHE H 1 61 LEU H 3.000 2.600 3.000 2.717 2.598 3.001 0.002 8 0 "[ . 1 . ]" 2
122 1 60 PHE H 1 62 THR H 3.700 2.900 3.700 3.385 3.228 3.730 0.030 15 0 "[ . 1 . ]" 2
123 1 60 PHE H 1 60 PHE QD 3.700 2.900 3.700 3.640 3.186 3.969 0.269 16 0 "[ . 1 . ]" 2
124 1 59 ASN QB 1 60 PHE H . 3.700 3.700 3.200 3.027 3.402 0.673 8 8 "[- **.* + 1** * ]" 2
125 1 60 PHE H 1 62 THR MG 5.000 3.700 5.000 4.917 4.776 4.991 . 0 0 "[ . 1 . ]" 2
126 1 166 ASN H 1 167 LYS H 2.900 . 2.900 2.858 2.439 2.962 0.062 2 0 "[ . 1 . ]" 2
127 1 165 THR MG 1 166 ASN H 5.000 3.700 5.000 3.631 2.793 4.454 0.907 13 6 "[* *. -1 + * *]" 2
128 1 25 ARG H 1 26 MET H 3.000 2.400 3.000 2.945 2.709 3.035 0.035 16 0 "[ . 1 . ]" 2
129 1 25 ARG HA 1 26 MET H 3.700 3.300 3.700 3.463 3.392 3.537 . 0 0 "[ . 1 . ]" 2
130 1 24 THR HA 1 26 MET H 5.000 3.700 5.000 4.404 4.275 4.590 . 0 0 "[ . 1 . ]" 2
131 1 25 ARG QB 1 26 MET H . 3.700 3.700 2.939 2.808 3.230 0.892 5 16 "[****+-****** ****]" 2
132 1 24 THR MG 1 26 MET H 5.000 3.700 5.000 3.875 2.797 4.401 0.903 14 2 "[ -. 1 +. ]" 2
133 1 25 ARG QG 1 26 MET H 5.000 3.700 5.000 4.186 3.932 4.398 . 0 0 "[ . 1 . ]" 2
134 1 133 SER H 1 134 PHE H 2.900 . 2.900 2.479 2.285 2.638 . 0 0 "[ . 1 . ]" 2
135 1 132 ALA H 1 133 SER H 3.000 2.600 3.000 2.838 2.711 2.906 . 0 0 "[ . 1 . ]" 2
136 1 133 SER H 1 135 ASP H 5.000 3.700 5.000 4.281 4.062 4.447 . 0 0 "[ . 1 . ]" 2
137 1 116 TYR QE 1 133 SER H 5.000 3.700 5.000 4.011 3.733 4.677 . 0 0 "[ . 1 . ]" 2
138 1 130 ALA HA 1 133 SER H 3.600 3.200 3.600 3.616 3.559 3.640 0.040 10 0 "[ . 1 . ]" 2
139 1 132 ALA MB 1 133 SER H 2.900 . 2.900 2.674 2.601 2.800 . 0 0 "[ . 1 . ]" 2
140 1 109 ASN H 1 110 ASN H 2.900 . 2.900 2.524 2.275 2.827 . 0 0 "[ . 1 . ]" 2
141 1 110 ASN H 1 111 ILE H 5.000 3.700 5.000 4.468 4.351 4.679 . 0 0 "[ . 1 . ]" 2
142 1 111 ILE H 1 146 SER HA 5.000 3.700 5.000 3.895 3.670 4.211 0.030 7 0 "[ . 1 . ]" 2
143 1 111 ILE H 1 144 LEU HA 5.000 3.700 5.000 4.528 4.428 4.801 . 0 0 "[ . 1 . ]" 2
144 1 100 PHE QE 1 111 ILE H 3.700 2.900 3.700 3.248 2.701 3.960 0.260 11 0 "[ . 1 . ]" 2
145 1 100 PHE HZ 1 111 ILE H 3.700 2.900 3.700 3.354 2.942 3.707 0.007 16 0 "[ . 1 . ]" 2
146 1 110 ASN QB 1 111 ILE H . 3.700 3.700 3.074 2.845 3.202 0.855 3 16 "[**+** ******-****]" 2
147 1 100 PHE HZ 1 110 ASN H 5.000 3.700 5.000 4.266 3.986 4.559 . 0 0 "[ . 1 . ]" 2
148 1 100 PHE QE 1 110 ASN H 5.000 3.700 5.000 4.636 3.905 5.231 0.231 10 0 "[ . 1 . ]" 2
149 1 110 ASN H 1 110 ASN HA 3.700 2.900 3.700 3.071 3.022 3.105 . 0 0 "[ . 1 . ]" 2
150 1 109 ASN HA 1 110 ASN H 3.700 2.900 3.700 3.192 3.055 3.398 . 0 0 "[ . 1 . ]" 2
151 1 109 ASN QB 1 110 ASN H 3.700 2.900 3.700 3.852 3.613 4.145 0.445 17 0 "[ . 1 . ]" 2
152 1 72 GLU H 1 73 THR H 3.000 2.600 3.000 2.825 2.595 3.012 0.012 17 0 "[ . 1 . ]" 2
153 1 73 THR H 1 74 THR H 3.000 2.600 3.000 2.651 2.585 2.799 0.015 17 0 "[ . 1 . ]" 2
154 1 72 GLU HB2 1 73 THR H 5.000 3.700 5.000 4.033 3.896 4.145 . 0 0 "[ . 1 . ]" 2
155 1 95 PRO HA 1 96 LEU H 3.700 2.900 3.700 3.514 3.455 3.584 . 0 0 "[ . 1 . ]" 2
156 1 94 GLY HA2 1 96 LEU H 4.600 4.200 4.600 4.132 3.914 4.225 0.286 5 0 "[ . 1 . ]" 2
157 1 96 LEU H 1 97 PRO QD 2.900 . 2.900 2.610 2.368 2.899 . 0 0 "[ . 1 . ]" 2
158 1 29 GLU H 1 30 SER H 3.000 2.600 3.000 2.793 2.738 2.889 . 0 0 "[ . 1 . ]" 2
159 1 30 SER H 1 31 MET H 3.000 2.600 3.000 2.867 2.790 3.005 0.005 16 0 "[ . 1 . ]" 2
160 1 29 GLU HA 1 30 SER H 3.700 3.300 3.700 3.587 3.540 3.641 . 0 0 "[ . 1 . ]" 2
161 1 29 GLU HB2 1 30 SER H 2.900 . 2.900 2.758 2.605 2.982 0.082 17 0 "[ . 1 . ]" 2
162 1 17 PHE H 1 18 ASP H 3.700 2.900 3.700 3.026 2.841 3.382 0.059 4 0 "[ . 1 . ]" 2
163 1 17 PHE QD 1 18 ASP H 3.700 2.900 3.700 4.276 3.473 5.066 1.366 2 10 "[ +* .**-*1****. ]" 2
164 1 17 PHE HA 1 18 ASP H 3.700 2.900 3.700 3.569 3.452 3.661 . 0 0 "[ . 1 . ]" 2
165 1 17 PHE QB 1 18 ASP H 2.900 . 2.900 2.895 2.654 3.288 0.388 2 0 "[ . 1 . ]" 2
166 1 61 LEU H 1 62 THR H 3.000 2.600 3.000 2.785 2.476 3.016 0.124 15 0 "[ . 1 . ]" 2
167 1 62 THR H 1 63 ALA H 2.900 . 2.900 2.837 2.622 2.916 0.016 2 0 "[ . 1 . ]" 2
168 1 62 THR H 1 62 THR MG 2.900 . 2.900 3.453 3.412 3.468 0.568 12 17 [*******-***+*****] 2
169 1 61 LEU HG 1 62 THR H 5.000 3.700 5.000 4.448 3.693 4.977 0.007 5 0 "[ . 1 . ]" 2
170 1 61 LEU HA 1 62 THR H 3.700 2.900 3.700 3.506 3.046 3.704 0.004 15 0 "[ . 1 . ]" 2
171 1 62 THR H 1 62 THR HB 2.900 . 2.900 2.146 1.995 2.243 . 0 0 "[ . 1 . ]" 2
172 1 62 THR H 1 62 THR HA 2.900 . 2.900 2.844 2.780 2.912 0.012 8 0 "[ . 1 . ]" 2
173 1 61 LEU QB 1 62 THR H 3.700 3.700 3.700 3.329 2.974 4.194 0.726 2 7 "[-+* .* *1 * * ]" 2
174 1 140 ASN H 1 141 ASN H 2.900 . 2.900 2.531 2.287 2.756 . 0 0 "[ . 1 . ]" 2
175 1 141 ASN H 1 141 ASN HA 2.900 . 2.900 2.317 2.283 2.336 . 0 0 "[ . 1 . ]" 2
176 1 139 THR HA 1 141 ASN H 5.000 3.700 5.000 4.101 3.913 4.264 . 0 0 "[ . 1 . ]" 2
177 1 141 ASN H 1 141 ASN HB2 3.700 2.900 3.700 3.634 3.178 3.984 0.284 2 0 "[ . 1 . ]" 2
178 1 141 ASN H 1 141 ASN HB3 5.000 3.700 5.000 3.949 2.963 4.248 0.737 2 2 "[ + . - 1 . ]" 2
179 1 141 ASN H 1 142 ASP H 2.900 . 2.900 2.829 2.670 2.926 0.026 8 0 "[ . 1 . ]" 2
180 1 141 ASN H 1 143 GLY H 5.000 3.700 5.000 4.315 3.976 4.751 . 0 0 "[ . 1 . ]" 2
181 1 13 ASN HA 1 14 ARG H 3.700 3.300 3.700 3.664 3.564 3.725 0.025 13 0 "[ . 1 . ]" 2
182 1 11 TYR HA 1 14 ARG H 3.600 3.200 3.600 3.647 3.594 3.702 0.102 12 0 "[ . 1 . ]" 2
183 1 14 ARG H 1 14 ARG QD 3.700 2.900 3.700 3.584 2.265 4.278 0.635 4 5 "[ * +. 1-* .* ]" 2
184 1 14 ARG H 1 14 ARG HG2 3.700 2.900 3.700 3.032 2.370 3.816 0.530 5 2 "[ + -1 . ]" 2
185 1 80 LYS H 1 81 GLU H 3.000 2.600 3.000 2.962 2.847 3.065 0.065 12 0 "[ . 1 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 688
_Distance_constraint_stats_list.Viol_count 4067
_Distance_constraint_stats_list.Viol_total 15833.686
_Distance_constraint_stats_list.Viol_max 1.809
_Distance_constraint_stats_list.Viol_rms 0.1959
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0796
_Distance_constraint_stats_list.Viol_average_violations_only 0.2290
_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 2 ASP 0.035 0.025 12 0 "[ . 1 . ]"
1 4 TRP 5.379 0.466 9 0 "[ . 1 . ]"
1 5 VAL 13.234 0.585 3 9 "[* + * * *-* ** ]"
1 6 GLN 1.173 0.315 11 0 "[ . 1 . ]"
1 7 LYS 1.634 0.315 11 0 "[ . 1 . ]"
1 8 MET 0.010 0.006 16 0 "[ . 1 . ]"
1 9 LYS 6.115 0.778 12 5 "[ *. * + *- ]"
1 10 THR 24.329 1.190 11 10 "[ ***** *+-* . *]"
1 11 TYR 10.654 1.190 11 6 "[ ***.* 1+- . ]"
1 12 PHE 13.099 0.811 8 8 "[*-*** + * *. ]"
1 13 ASN 0.670 0.186 9 0 "[ . 1 . ]"
1 14 ARG 0.010 0.010 17 0 "[ . 1 . ]"
1 15 ILE 3.184 0.432 11 0 "[ . 1 . ]"
1 16 ASP 3.823 0.432 11 0 "[ . 1 . ]"
1 17 PHE 1.111 0.266 10 0 "[ . 1 . ]"
1 18 ASP 0.523 0.092 5 0 "[ . 1 . ]"
1 19 LYS 7.178 0.627 4 6 "[ * +. - *1* .* ]"
1 20 ASP 8.179 0.627 4 6 "[ * +. - *1* .* ]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 22 ALA 10.559 0.585 2 3 "[ + -. 1 *. ]"
1 23 ILE 18.534 0.811 8 6 "[*-* * + * . ]"
1 24 THR 12.394 1.064 5 5 "[ -+ 1** *. ]"
1 25 ARG 19.813 1.123 4 15 "[***+* * *********]"
1 26 MET 0.384 0.122 10 0 "[ . 1 . ]"
1 27 ASP 24.255 1.064 5 9 "[ *+ * *** *.*-]"
1 28 PHE 19.135 0.598 8 4 "[ * + 1 .*-]"
1 29 GLU 5.486 0.675 13 1 "[ . 1 + . ]"
1 30 SER 0.023 0.017 1 0 "[ . 1 . ]"
1 31 MET 12.613 0.768 7 15 "[**-***+**1** ****]"
1 32 ALA 5.187 0.768 7 2 "[ . + 1 .- ]"
1 33 GLU 0.733 0.094 9 0 "[ . 1 . ]"
1 34 ARG 1.974 0.162 17 0 "[ . 1 . ]"
1 35 PHE 12.701 0.600 7 13 "[* *** +*** *-***]"
1 36 ALA 7.654 0.502 6 1 "[ .+ 1 . ]"
1 37 LYS 5.002 0.557 15 1 "[ . 1 + ]"
1 38 GLU 0.066 0.046 15 0 "[ . 1 . ]"
1 39 SER 4.506 0.721 6 5 "[ *+ 1- **. ]"
1 40 GLU 14.216 0.806 17 11 "[** *** **- **. +]"
1 41 MET 2.887 0.851 1 2 "[+ . 1 -. ]"
1 43 ALA 0.467 0.081 3 0 "[ . 1 . ]"
1 44 GLU 7.205 0.639 1 6 "[+ . * 1*** .- ]"
1 45 HIS 15.217 0.690 9 12 "[** ** **+1*** .-*]"
1 46 ALA 5.034 0.851 1 2 "[+ . 1 -. ]"
1 47 LYS 14.181 0.717 4 9 "[ * +.- * 1****.* ]"
1 48 VAL 23.404 0.826 7 17 [*****-+**********]
1 49 LEU 17.340 0.911 15 12 "[ ****- **1** +**]"
1 50 MET 4.466 0.911 15 3 "[ - . *1 + ]"
1 51 ASP 16.933 0.869 3 8 "[ + ** * 1 * *-*]"
1 52 SER 12.649 0.599 6 7 "[ *+ * 1 * *-*]"
1 53 LEU 18.274 0.830 14 5 "[* .* 1 *+. -]"
1 54 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 55 GLY 2.403 0.377 2 0 "[ . 1 . ]"
1 56 VAL 23.008 1.673 7 13 "[ * -*+ *********]"
1 57 TRP 85.375 1.809 8 17 [****-**+*********]
1 58 ASP 2.450 0.377 2 0 "[ . 1 . ]"
1 60 PHE 12.194 0.954 11 17 [******-***+******]
1 61 LEU 13.550 0.954 11 17 [******-***+******]
1 62 THR 55.398 1.809 8 17 [**-****+*********]
1 63 ALA 6.660 0.334 2 0 "[ . 1 . ]"
1 64 VAL 7.196 0.334 2 0 "[ . 1 . ]"
1 65 ALA 10.009 0.831 14 12 "[* **. * *-***+* *]"
1 67 GLY 8.672 0.870 14 6 "[ ***. * 1 - +. ]"
1 68 LYS 0.614 0.243 9 0 "[ . 1 . ]"
1 70 ILE 19.557 0.831 14 12 "[* **. * *-***+* *]"
1 71 ASP 10.355 0.760 13 3 "[ .* - 1 + . ]"
1 72 GLU 0.045 0.016 2 0 "[ . 1 . ]"
1 73 THR 0.848 0.309 13 0 "[ . 1 . ]"
1 74 THR 39.577 0.999 15 17 [************-*+**]
1 75 PHE 29.802 0.891 14 17 [*****-*******+***]
1 76 ILE 18.774 0.825 16 9 "[ -*. * ***** .+ ]"
1 77 ASN 26.401 0.825 16 12 "[* -** * *** * *+*]"
1 78 SER 5.420 0.799 17 6 "[ *. * ** - +]"
1 79 MET 0.334 0.088 17 0 "[ . 1 . ]"
1 80 LYS 1.088 0.674 10 1 "[ . + . ]"
1 81 GLU 0.879 0.674 10 1 "[ . + . ]"
1 82 MET 2.876 0.675 6 2 "[ .+ 1 .- ]"
1 83 VAL 0.384 0.175 3 0 "[ . 1 . ]"
1 84 LYS 12.671 0.666 7 10 "[ ** + ****** -]"
1 85 ASN 2.733 0.715 2 1 "[ + . 1 . ]"
1 87 GLU 4.856 0.810 12 3 "[ - *. 1 + . ]"
1 88 ALA 8.754 0.810 12 5 "[ * *. 1 + -* ]"
1 89 LYS 5.046 0.567 15 2 "[ . 1 -+ ]"
1 91 VAL 4.734 0.766 3 3 "[ + . 1 -. *]"
1 92 VAL 5.767 0.766 3 3 "[ + . 1 -. *]"
1 95 PRO 0.516 0.103 6 0 "[ . 1 . ]"
1 96 LEU 3.678 0.503 14 1 "[ . 1 +. ]"
1 98 LEU 5.768 0.544 13 1 "[ . 1 + . ]"
1 99 PHE 10.913 0.588 1 1 "[+ . 1 . ]"
1 100 PHE 8.226 0.458 12 0 "[ . 1 . ]"
1 101 ARG 6.552 0.457 15 0 "[ . 1 . ]"
1 102 ALA 1.778 0.325 1 0 "[ . 1 . ]"
1 103 VAL 10.202 0.710 6 11 "[ ** .+ **-****.* ]"
1 104 ASP 4.400 1.060 6 2 "[ .+- 1 . ]"
1 105 THR 0.699 0.129 7 0 "[ . 1 . ]"
1 106 ASN 3.358 0.302 13 0 "[ . 1 . ]"
1 107 GLU 17.203 0.594 6 12 "[** *.+ **** -***]"
1 108 ASP 1.446 0.115 16 0 "[ . 1 . ]"
1 109 ASN 6.340 0.555 1 6 "[+ . ** ** -]"
1 110 ASN 1.132 0.115 16 0 "[ . 1 . ]"
1 111 ILE 6.871 1.060 6 2 "[ .+- 1 . ]"
1 112 SER 7.386 0.844 3 7 "[ + * * 1* *-. *]"
1 113 ARG 18.582 1.729 7 9 "[*** . + ** **- ]"
1 114 ASP 15.113 0.864 11 12 "[* ***** *+** ** ]"
1 115 GLU 26.769 0.880 13 17 [********-***+****]
1 116 TYR 34.583 0.880 13 17 [*****-******+****]
1 118 ILE 2.421 0.279 15 0 "[ . 1 . ]"
1 119 PHE 14.836 0.861 6 8 "[* *+*- * * . *]"
1 120 PHE 17.828 0.861 6 17 [*****+*********-*]
1 121 GLY 3.466 0.234 10 0 "[ . 1 . ]"
1 122 MET 23.315 1.254 17 17 [-***************+]
1 123 LEU 32.217 1.039 7 17 [*****-+**********]
1 124 GLY 0.279 0.087 12 0 "[ . 1 . ]"
1 125 LEU 22.239 1.255 3 15 "[**+ ****-** *****]"
1 126 ASP 3.930 0.546 7 2 "[ . + 1 -. ]"
1 127 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 129 MET 0.363 0.313 5 0 "[ . 1 . ]"
1 130 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 131 PRO 0.637 0.231 11 0 "[ . 1 . ]"
1 132 ALA 0.964 0.231 11 0 "[ . 1 . ]"
1 133 SER 3.253 0.508 2 1 "[ + . 1 . ]"
1 134 PHE 22.869 1.729 7 12 "[*-**. + **** *** ]"
1 135 ASP 9.522 0.622 1 7 "[+***. * *1 - . ]"
1 136 ALA 3.517 0.252 5 0 "[ . 1 . ]"
1 137 ILE 18.451 0.548 11 5 "[* **. 1+ - ]"
1 138 ASP 3.495 0.303 12 0 "[ . 1 . ]"
1 139 THR 9.253 0.816 9 13 "[** **-* +*****.* ]"
1 140 ASN 9.436 0.816 9 13 "[** **-* +*****.* ]"
1 141 ASN 0.042 0.019 8 0 "[ . 1 . ]"
1 142 ASP 10.530 0.484 1 0 "[ . 1 . ]"
1 143 GLY 4.036 0.413 9 0 "[ . 1 . ]"
1 144 LEU 10.177 0.673 9 2 "[ . +1 . -]"
1 145 LEU 18.678 1.027 8 15 [****.**+******.*-]
1 146 SER 12.194 0.665 15 12 "[ ***.-* *1* **+**]"
1 147 LEU 8.733 0.539 9 2 "[ . -+1 . ]"
1 148 GLU 13.161 0.539 9 3 "[ .* -+1 . ]"
1 149 GLU 32.097 1.027 8 17 [****-**+*********]
1 150 PHE 21.448 0.662 11 14 "[-**** ***1+* ****]"
1 151 VAL 5.901 0.534 8 1 "[ . + 1 . ]"
1 152 ILE 4.639 0.687 7 2 "[ - . + 1 . ]"
1 153 ALA 5.317 0.415 8 0 "[ . 1 . ]"
1 154 GLY 7.019 0.614 5 1 "[ + 1 . ]"
1 155 SER 8.929 0.651 16 6 "[ * .** 1 * -.+ ]"
1 156 ASP 3.153 0.651 16 5 "[ - .** 1 * .+ ]"
1 157 PHE 5.722 0.614 5 1 "[ + 1 . ]"
1 158 PHE 0.221 0.045 5 0 "[ . 1 . ]"
1 160 ASN 0.237 0.086 13 0 "[ . 1 . ]"
1 161 ASP 0.833 0.532 14 1 "[ . 1 +. ]"
1 165 THR 0.473 0.120 11 0 "[ . 1 . ]"
1 166 ASN 0.971 0.426 11 0 "[ . 1 . ]"
1 167 LYS 5.261 0.527 7 1 "[ . + 1 . ]"
1 168 VAL 2.110 0.527 7 1 "[ . + 1 . ]"
1 169 PHE 23.940 0.809 4 16 "[** +*******-*****]"
1 170 TRP 9.012 1.020 11 7 "[ ***** 1+- . ]"
1 172 PRO 0.531 0.242 2 0 "[ . 1 . ]"
1 173 LEU 7.618 0.622 2 1 "[ + . 1 . ]"
1 174 VAL 11.277 0.950 10 8 "[ ** ** + -* . *]"
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 80 LYS HA 1 81 GLU H 3.700 2.900 3.700 3.567 3.505 3.607 . 0 0 "[ . 1 . ]" 3
2 1 80 LYS QB 1 81 GLU H 2.900 . 2.900 2.745 2.360 3.574 0.674 10 1 "[ . + . ]" 3
3 1 157 PHE H 1 158 PHE H 3.000 2.600 3.000 2.986 2.898 3.017 0.017 3 0 "[ . 1 . ]" 3
4 1 158 PHE H 1 158 PHE QD 3.700 2.900 3.700 3.242 2.855 3.511 0.045 5 0 "[ . 1 . ]" 3
5 1 157 PHE HA 1 158 PHE H 3.700 2.900 3.700 3.604 3.565 3.699 . 0 0 "[ . 1 . ]" 3
6 1 105 THR H 1 106 ASN H 2.900 . 2.900 2.906 2.654 3.029 0.129 7 0 "[ . 1 . ]" 3
7 1 87 GLU H 1 89 LYS H 5.000 3.700 5.000 4.654 4.177 5.013 0.013 17 0 "[ . 1 . ]" 3
8 1 87 GLU H 1 87 GLU HA 3.700 2.900 3.700 3.020 2.903 3.104 . 0 0 "[ . 1 . ]" 3
9 1 87 GLU H 1 88 ALA MB 5.000 3.700 5.000 4.473 4.076 4.804 . 0 0 "[ . 1 . ]" 3
10 1 122 MET H 1 123 LEU H 2.900 . 2.900 2.884 2.734 2.911 0.011 4 0 "[ . 1 . ]" 3
11 1 121 GLY H 1 123 LEU H 5.000 3.700 5.000 4.466 4.265 4.596 . 0 0 "[ . 1 . ]" 3
12 1 120 PHE HA 1 123 LEU H 3.700 2.900 3.700 3.580 3.240 3.728 0.028 7 0 "[ . 1 . ]" 3
13 1 123 LEU H 1 123 LEU QD 3.700 2.900 3.700 2.853 2.288 3.329 0.612 6 3 "[* .+ 1- . ]" 3
14 1 123 LEU H 1 123 LEU QB 2.900 2.900 2.900 2.432 1.861 2.617 1.039 7 4 "[ * .-+ 1 * . ]" 3
15 1 122 MET QB 1 123 LEU H . 3.700 3.700 2.831 2.752 3.652 0.948 2 16 "[-+**** **********]" 3
16 1 122 MET QG 1 123 LEU H 5.000 3.700 5.000 4.329 2.678 4.668 1.022 7 1 "[ . + 1 . ]" 3
17 1 121 GLY QA 1 123 LEU H 5.000 3.700 5.000 4.274 4.210 4.350 . 0 0 "[ . 1 . ]" 3
18 1 123 LEU H 1 125 LEU QD 5.000 3.700 5.000 4.118 3.531 4.661 0.169 3 0 "[ . 1 . ]" 3
19 1 102 ALA H 1 103 VAL H 3.000 2.600 3.000 2.791 2.638 2.885 . 0 0 "[ . 1 . ]" 3
20 1 103 VAL H 1 104 ASP H 2.900 . 2.900 2.755 2.573 2.904 0.004 10 0 "[ . 1 . ]" 3
21 1 103 VAL H 1 103 VAL HA 2.900 . 2.900 2.947 2.933 2.977 0.077 7 0 "[ . 1 . ]" 3
22 1 102 ALA HA 1 103 VAL H 3.700 3.300 3.700 3.657 3.614 3.701 0.001 7 0 "[ . 1 . ]" 3
23 1 49 LEU HA 1 102 ALA HA 2.900 . 2.900 2.845 2.377 2.980 0.080 7 0 "[ . 1 . ]" 3
24 1 103 VAL H 1 103 VAL QG . 2.900 2.900 2.386 2.190 2.534 0.710 6 11 "[ ** .+ **-****.* ]" 3
25 1 103 VAL H 1 103 VAL HB 2.900 . 2.900 2.604 2.436 2.910 0.010 6 0 "[ . 1 . ]" 3
26 1 103 VAL H 1 111 ILE MD 5.000 3.700 5.000 4.000 3.467 4.400 0.233 6 0 "[ . 1 . ]" 3
27 1 103 VAL H 1 104 ASP HB3 5.000 3.700 5.000 4.839 4.655 5.038 0.038 7 0 "[ . 1 . ]" 3
28 1 103 VAL H 1 104 ASP HB2 5.000 3.700 5.000 4.895 4.695 5.041 0.041 4 0 "[ . 1 . ]" 3
29 1 102 ALA MB 1 103 VAL H 2.900 . 2.900 2.582 2.448 2.689 . 0 0 "[ . 1 . ]" 3
30 1 99 PHE HA 1 103 VAL H 5.000 3.700 5.000 4.016 3.772 4.133 . 0 0 "[ . 1 . ]" 3
31 1 101 ARG HA 1 103 VAL H 5.000 3.700 5.000 4.658 4.422 4.842 . 0 0 "[ . 1 . ]" 3
32 1 37 LYS H 1 37 LYS HA 3.700 2.900 3.700 3.010 2.919 3.072 . 0 0 "[ . 1 . ]" 3
33 1 37 LYS H 1 37 LYS QB 2.900 . 2.900 2.341 2.127 2.714 . 0 0 "[ . 1 . ]" 3
34 1 37 LYS H 1 37 LYS QG 3.700 2.900 3.700 3.610 2.528 4.257 0.557 15 1 "[ . 1 + ]" 3
35 1 37 LYS H 1 37 LYS QD 5.000 3.700 5.000 4.543 3.922 5.084 0.084 3 0 "[ . 1 . ]" 3
36 1 139 THR HA 1 140 ASN H 3.700 2.900 3.700 3.496 3.341 3.565 . 0 0 "[ . 1 . ]" 3
37 1 140 ASN H 1 140 ASN HA 3.700 2.900 3.700 3.024 2.949 3.065 . 0 0 "[ . 1 . ]" 3
38 1 139 THR MG 1 140 ASN H 5.000 3.700 5.000 4.032 2.927 4.440 0.773 5 1 "[ + 1 . ]" 3
39 1 139 THR HB 1 140 ASN H 5.000 3.700 5.000 3.351 2.884 4.340 0.816 9 12 "[** *.-* +*****.* ]" 3
40 1 140 ASN H 1 141 ASN HA 5.000 3.700 5.000 4.817 4.575 5.019 0.019 8 0 "[ . 1 . ]" 3
41 1 138 ASP HA 1 140 ASN H 3.700 2.900 3.700 3.543 3.258 3.729 0.029 13 0 "[ . 1 . ]" 3
42 1 101 ARG H 1 101 ARG HA 2.900 . 2.900 2.929 2.901 2.974 0.074 3 0 "[ . 1 . ]" 3
43 1 101 ARG H 1 101 ARG QB 2.900 . 2.900 2.231 2.147 2.399 . 0 0 "[ . 1 . ]" 3
44 1 101 ARG H 1 101 ARG QG 3.700 2.900 3.700 3.764 2.767 4.157 0.457 15 0 "[ . 1 . ]" 3
45 1 98 LEU HA 1 101 ARG H 3.600 3.200 3.600 3.505 3.176 3.647 0.047 11 0 "[ . 1 . ]" 3
46 1 52 SER HA 1 98 LEU HA 5.000 3.700 5.000 4.539 3.685 5.082 0.082 10 0 "[ . 1 . ]" 3
47 1 100 PHE QD 1 101 ARG H 3.700 2.900 3.700 3.462 2.960 3.914 0.214 11 0 "[ . 1 . ]" 3
48 1 101 ARG H 1 102 ALA H 3.000 2.600 3.000 2.792 2.614 2.895 . 0 0 "[ . 1 . ]" 3
49 1 100 PHE H 1 101 ARG H 3.000 2.600 3.000 2.978 2.900 3.050 0.050 3 0 "[ . 1 . ]" 3
50 1 28 PHE H 1 28 PHE HA 3.700 2.900 3.700 2.952 2.902 3.004 . 0 0 "[ . 1 . ]" 3
51 1 28 PHE H 1 29 GLU H 3.000 2.600 3.000 2.903 2.661 3.025 0.025 6 0 "[ . 1 . ]" 3
52 1 28 PHE H 1 30 SER H 4.400 4.000 4.400 4.279 4.091 4.417 0.017 1 0 "[ . 1 . ]" 3
53 1 27 ASP QB 1 28 PHE H 2.900 2.900 2.900 2.851 2.302 3.355 0.598 8 4 "[ * + 1 .*-]" 3
54 1 132 ALA H 1 132 ALA MB 2.900 . 2.900 2.288 2.282 2.299 . 0 0 "[ . 1 . ]" 3
55 1 131 PRO QB 1 132 ALA H 2.900 . 2.900 2.701 2.434 3.131 0.231 11 0 "[ . 1 . ]" 3
56 1 132 ALA H 1 132 ALA HA 2.900 . 2.900 2.919 2.903 2.938 0.038 15 0 "[ . 1 . ]" 3
57 1 132 ALA H 1 134 PHE H 4.400 4.000 4.400 4.193 4.063 4.374 . 0 0 "[ . 1 . ]" 3
58 1 131 PRO QD 1 132 ALA H 3.700 2.900 3.700 3.161 2.912 3.586 . 0 0 "[ . 1 . ]" 3
59 1 107 GLU H 1 107 GLU QB 5.000 3.500 5.000 3.047 2.906 3.437 0.594 6 7 "[ * *.+ * 1* -.* ]" 3
60 1 106 ASN QB 1 107 GLU H 3.700 2.900 3.700 3.867 3.748 4.002 0.302 13 0 "[ . 1 . ]" 3
61 1 107 GLU H 1 107 GLU HA 2.900 . 2.900 2.325 2.272 2.410 . 0 0 "[ . 1 . ]" 3
62 1 107 GLU H 1 108 ASP H 3.700 2.900 3.700 2.894 2.858 2.964 0.042 1 0 "[ . 1 . ]" 3
63 1 108 ASP H 1 110 ASN H 3.700 2.900 3.700 3.767 3.726 3.815 0.115 16 0 "[ . 1 . ]" 3
64 1 147 LEU QD 1 148 GLU H 5.000 3.700 5.000 3.895 3.161 4.219 0.539 9 1 "[ . +1 . ]" 3
65 1 147 LEU HG 1 148 GLU H 5.000 3.700 5.000 4.175 3.724 5.043 0.043 8 0 "[ . 1 . ]" 3
66 1 147 LEU QB 1 148 GLU H 2.900 . 2.900 2.822 2.711 2.993 0.093 12 0 "[ . 1 . ]" 3
67 1 148 GLU H 1 148 GLU QB 2.900 . 2.900 2.236 1.886 2.467 . 0 0 "[ . 1 . ]" 3
68 1 148 GLU H 1 148 GLU QG 3.700 2.900 3.700 3.918 2.558 4.211 0.511 8 1 "[ . + 1 . ]" 3
69 1 147 LEU HA 1 148 GLU H 3.700 3.300 3.700 3.602 3.554 3.760 0.060 15 0 "[ . 1 . ]" 3
70 1 148 GLU H 1 148 GLU HA 2.900 . 2.900 2.897 2.797 2.922 0.022 10 0 "[ . 1 . ]" 3
71 1 146 SER QB 1 148 GLU H 3.700 3.700 3.700 3.727 3.177 4.032 0.523 6 1 "[ .+ 1 . ]" 3
72 1 146 SER HA 1 148 GLU H 5.000 3.700 5.000 4.743 4.627 5.019 0.019 12 0 "[ . 1 . ]" 3
73 1 148 GLU H 1 149 GLU H 3.000 2.600 3.000 2.866 2.740 2.982 . 0 0 "[ . 1 . ]" 3
74 1 147 LEU H 1 148 GLU H 3.000 2.600 3.000 2.894 2.779 2.994 . 0 0 "[ . 1 . ]" 3
75 1 148 GLU H 1 150 PHE H 4.400 4.000 4.400 4.389 4.234 4.440 0.040 8 0 "[ . 1 . ]" 3
76 1 78 SER H 1 78 SER HA 3.700 2.900 3.700 2.954 2.898 2.991 0.002 2 0 "[ . 1 . ]" 3
77 1 77 ASN H 1 78 SER H 3.000 2.600 3.000 2.792 2.664 2.893 . 0 0 "[ . 1 . ]" 3
78 1 75 PHE H 1 78 SER H 5.000 3.700 5.000 4.803 4.706 4.908 . 0 0 "[ . 1 . ]" 3
79 1 77 ASN HB2 1 78 SER H 3.700 2.900 3.700 3.458 2.713 3.776 0.187 17 0 "[ . 1 . ]" 3
80 1 77 ASN HB3 1 78 SER H 2.900 . 2.900 2.902 2.358 3.699 0.799 17 6 "[ *. * ** - +]" 3
81 1 79 MET H 1 79 MET HB2 2.900 . 2.900 2.528 2.341 2.715 . 0 0 "[ . 1 . ]" 3
82 1 52 SER H 1 52 SER HA 2.900 . 2.900 2.935 2.908 2.962 0.062 1 0 "[ . 1 . ]" 3
83 1 52 SER H 1 52 SER QB 2.900 . 2.900 2.514 2.253 2.736 . 0 0 "[ . 1 . ]" 3
84 1 51 ASP H 1 52 SER H 3.000 2.600 3.000 2.870 2.720 3.003 0.003 3 0 "[ . 1 . ]" 3
85 1 52 SER H 1 53 LEU H 3.000 2.600 3.000 2.786 2.538 2.964 0.062 14 0 "[ . 1 . ]" 3
86 1 52 SER H 1 53 LEU HG 5.000 3.700 5.000 5.044 4.942 5.215 0.215 1 0 "[ . 1 . ]" 3
87 1 51 ASP QB 1 52 SER H . 2.900 2.900 2.564 2.301 3.335 0.599 6 7 "[ *+ * 1 * *-*]" 3
88 1 48 VAL QG 1 52 SER H 5.000 3.700 5.000 4.162 3.732 4.356 . 0 0 "[ . 1 . ]" 3
89 1 48 VAL HA 1 52 SER H 5.000 3.700 5.000 3.877 3.685 4.332 0.015 7 0 "[ . 1 . ]" 3
90 1 49 LEU HA 1 52 SER H 5.000 3.700 5.000 3.859 3.652 4.108 0.048 1 0 "[ . 1 . ]" 3
91 1 58 ASP H 1 58 ASP HB3 3.700 2.900 3.700 3.607 3.091 3.675 . 0 0 "[ . 1 . ]" 3
92 1 58 ASP H 1 58 ASP HB2 2.900 . 2.900 2.445 2.126 2.581 . 0 0 "[ . 1 . ]" 3
93 1 58 ASP H 1 58 ASP HA 2.900 . 2.900 2.871 2.851 2.898 . 0 0 "[ . 1 . ]" 3
94 1 57 TRP H 1 58 ASP H 3.000 2.600 3.000 2.699 2.595 2.957 0.005 13 0 "[ . 1 . ]" 3
95 1 57 TRP HB2 1 58 ASP H 5.000 3.700 5.000 3.954 3.847 4.053 . 0 0 "[ . 1 . ]" 3
96 1 57 TRP HB3 1 58 ASP H 2.900 . 2.900 2.561 2.423 2.697 . 0 0 "[ . 1 . ]" 3
97 1 57 TRP HD1 1 58 ASP H 3.700 2.900 3.700 3.033 2.867 3.233 0.033 2 0 "[ . 1 . ]" 3
98 1 55 GLY QA 1 58 ASP H 3.700 3.700 3.700 3.575 3.323 3.836 0.377 2 0 "[ . 1 . ]" 3
99 1 56 VAL QG 1 57 TRP H 3.700 3.700 3.700 3.158 2.027 3.423 1.673 7 5 "[ - + * * .* ]" 3
100 1 56 VAL HB 1 57 TRP H 2.900 . 2.900 2.780 2.538 3.144 0.244 7 0 "[ . 1 . ]" 3
101 1 57 TRP H 1 57 TRP HB2 3.700 2.900 3.700 2.912 2.763 3.213 0.137 8 0 "[ . 1 . ]" 3
102 1 57 TRP H 1 57 TRP HB3 2.900 . 2.900 2.466 2.324 2.672 . 0 0 "[ . 1 . ]" 3
103 1 57 TRP H 1 57 TRP HA 3.700 2.900 3.700 3.039 3.007 3.068 . 0 0 "[ . 1 . ]" 3
104 1 56 VAL H 1 57 TRP H 3.000 2.600 3.000 2.888 2.711 2.993 . 0 0 "[ . 1 . ]" 3
105 1 25 ARG QG 1 57 TRP H 5.000 3.700 5.000 5.292 4.155 6.123 1.123 4 7 "[- +. * ** *. *]" 3
106 1 28 PHE H 1 28 PHE QB 2.900 2.900 2.900 2.496 2.413 2.579 0.487 9 0 "[ . 1 . ]" 3
107 1 25 ARG HA 1 28 PHE H 3.700 2.900 3.700 3.605 3.176 3.736 0.036 1 0 "[ . 1 . ]" 3
108 1 84 LYS H 1 84 LYS QG 3.700 2.900 3.700 2.841 2.234 3.618 0.666 7 1 "[ . + 1 . ]" 3
109 1 84 LYS H 1 84 LYS QB 2.900 2.900 2.900 2.432 2.300 2.914 0.600 13 9 "[ ** ***+** -]" 3
110 1 83 VAL HB 1 84 LYS H 5.000 3.700 5.000 4.136 3.695 4.508 0.005 5 0 "[ . 1 . ]" 3
111 1 83 VAL HA 1 84 LYS H 3.700 3.300 3.700 3.392 3.125 3.553 0.175 3 0 "[ . 1 . ]" 3
112 1 82 MET HA 1 84 LYS H 4.500 3.700 4.500 3.943 3.696 4.227 0.004 6 0 "[ . 1 . ]" 3
113 1 84 LYS H 1 84 LYS HA 2.900 . 2.900 2.954 2.912 2.981 0.081 9 0 "[ . 1 . ]" 3
114 1 84 LYS H 1 85 ASN H 2.900 . 2.900 2.576 2.002 2.817 . 0 0 "[ . 1 . ]" 3
115 1 99 PHE H 1 99 PHE QB 2.900 2.900 2.900 2.514 2.312 2.658 0.588 1 1 "[+ . 1 . ]" 3
116 1 98 LEU QB 1 99 PHE H 2.900 . 2.900 2.746 2.520 3.260 0.360 6 0 "[ . 1 . ]" 3
117 1 98 LEU H 1 99 PHE H 3.000 2.600 3.000 2.664 2.584 2.802 0.016 16 0 "[ . 1 . ]" 3
118 1 99 PHE H 1 99 PHE QD 3.700 2.900 3.700 3.269 2.631 3.488 0.269 10 0 "[ . 1 . ]" 3
119 1 12 PHE H 1 12 PHE HB3 2.900 . 2.900 2.642 2.430 2.875 . 0 0 "[ . 1 . ]" 3
120 1 12 PHE H 1 13 ASN QB 5.000 3.700 5.000 4.679 4.311 5.186 0.186 9 0 "[ . 1 . ]" 3
121 1 12 PHE H 1 13 ASN HA 5.500 5.000 5.500 5.501 5.392 5.541 0.041 10 0 "[ . 1 . ]" 3
122 1 10 THR HA 1 12 PHE H 4.600 4.200 4.600 4.632 4.611 4.654 0.054 17 0 "[ . 1 . ]" 3
123 1 11 TYR QD 1 12 PHE H 5.000 3.700 5.000 3.885 3.467 4.383 0.233 13 0 "[ . 1 . ]" 3
124 1 12 PHE H 1 12 PHE QD 5.000 3.700 5.000 4.330 4.257 4.436 . 0 0 "[ . 1 . ]" 3
125 1 135 ASP H 1 135 ASP HA 2.900 . 2.900 2.881 2.859 2.911 0.011 4 0 "[ . 1 . ]" 3
126 1 134 PHE QB 1 135 ASP H 2.900 2.900 2.900 2.410 2.278 2.491 0.622 1 7 "[+***. * *1 - . ]" 3
127 1 135 ASP H 1 135 ASP QB 2.900 . 2.900 2.387 2.191 2.605 . 0 0 "[ . 1 . ]" 3
128 1 134 PHE QD 1 135 ASP H 3.700 2.900 3.700 3.451 2.902 3.704 0.004 14 0 "[ . 1 . ]" 3
129 1 135 ASP H 1 136 ALA H 3.000 2.600 3.000 2.987 2.859 3.030 0.030 11 0 "[ . 1 . ]" 3
130 1 107 GLU HA 1 109 ASN H 3.700 2.900 3.700 3.614 3.056 3.788 0.088 10 0 "[ . 1 . ]" 3
131 1 107 GLU QB 1 109 ASN H 5.000 3.700 5.000 5.300 4.395 5.555 0.555 1 6 "[+ . ** ** -]" 3
132 1 109 ASN H 1 109 ASN HA 2.900 . 2.900 2.353 2.297 2.464 . 0 0 "[ . 1 . ]" 3
133 1 108 ASP H 1 109 ASN H 2.900 . 2.900 2.224 1.991 2.433 . 0 0 "[ . 1 . ]" 3
134 1 95 PRO HA 1 98 LEU H 3.700 2.900 3.700 3.720 3.544 3.803 0.103 6 0 "[ . 1 . ]" 3
135 1 98 LEU H 1 98 LEU QB 2.900 . 2.900 2.407 2.160 2.564 . 0 0 "[ . 1 . ]" 3
136 1 98 LEU H 1 98 LEU HG 5.000 3.700 5.000 4.235 3.890 4.610 . 0 0 "[ . 1 . ]" 3
137 1 149 GLU H 1 149 GLU QB 3.700 2.900 3.700 2.573 2.260 2.782 0.640 1 3 "[+ .- * 1 . ]" 3
138 1 149 GLU H 1 150 PHE H 3.000 2.600 3.000 2.766 2.599 2.853 0.001 15 0 "[ . 1 . ]" 3
139 1 53 LEU H 1 53 LEU QD 3.700 2.900 3.700 3.227 2.070 3.463 0.830 14 2 "[- . 1 +. ]" 3
140 1 53 LEU H 1 53 LEU QB 2.900 2.900 2.900 2.392 2.208 2.457 0.692 1 5 "[+ .* 1 **. -]" 3
141 1 53 LEU H 1 53 LEU HG 2.900 . 2.900 2.733 2.606 2.977 0.077 13 0 "[ . 1 . ]" 3
142 1 51 ASP H 1 53 LEU H 4.400 4.000 4.400 4.405 4.330 4.441 0.041 14 0 "[ . 1 . ]" 3
143 1 52 SER QB 1 53 LEU H 3.700 2.900 3.700 2.737 2.483 3.625 0.417 6 0 "[ . 1 . ]" 3
144 1 49 LEU HA 1 53 LEU H 5.000 3.700 5.000 3.918 3.655 4.070 0.045 15 0 "[ . 1 . ]" 3
145 1 32 ALA MB 1 53 LEU H 5.000 3.700 5.000 4.329 4.113 4.699 . 0 0 "[ . 1 . ]" 3
146 1 155 SER H 1 156 ASP H 3.000 2.600 3.000 2.803 2.699 2.935 . 0 0 "[ . 1 . ]" 3
147 1 155 SER H 1 155 SER QB 2.900 . 2.900 2.427 2.243 2.706 . 0 0 "[ . 1 . ]" 3
148 1 154 GLY QA 1 155 SER H . 2.900 2.900 2.775 2.590 2.896 0.310 6 0 "[ . 1 . ]" 3
149 1 96 LEU QD 1 155 SER H 3.700 2.900 3.700 2.840 2.397 3.750 0.503 14 1 "[ . 1 +. ]" 3
150 1 137 ILE H 1 137 ILE MD 5.000 3.700 5.000 3.747 3.563 3.979 0.137 15 0 "[ . 1 . ]" 3
151 1 137 ILE H 1 137 ILE QG . 2.900 2.900 2.433 2.352 2.494 0.548 11 5 "[* **. 1+ - ]" 3
152 1 137 ILE H 1 137 ILE MG 3.700 2.900 3.700 3.960 3.916 3.992 0.292 6 0 "[ . 1 . ]" 3
153 1 136 ALA MB 1 137 ILE H 2.900 . 2.900 2.867 2.694 3.034 0.134 5 0 "[ . 1 . ]" 3
154 1 137 ILE H 1 137 ILE HB 2.900 . 2.900 2.629 2.506 2.714 . 0 0 "[ . 1 . ]" 3
155 1 137 ILE H 1 137 ILE HA 3.700 2.900 3.700 3.025 2.969 3.039 . 0 0 "[ . 1 . ]" 3
156 1 136 ALA HA 1 137 ILE H 3.700 3.300 3.700 3.522 3.475 3.583 . 0 0 "[ . 1 . ]" 3
157 1 136 ALA H 1 137 ILE H 3.000 2.600 3.000 2.631 2.596 2.675 0.004 11 0 "[ . 1 . ]" 3
158 1 137 ILE H 1 138 ASP H 2.900 . 2.900 2.440 2.294 2.751 . 0 0 "[ . 1 . ]" 3
159 1 135 ASP HA 1 137 ILE H 5.000 3.700 5.000 4.134 3.888 4.350 . 0 0 "[ . 1 . ]" 3
160 1 134 PHE HA 1 137 ILE H 3.700 2.900 3.700 3.623 3.484 3.713 0.013 15 0 "[ . 1 . ]" 3
161 1 104 ASP H 1 105 THR H 5.000 3.700 5.000 3.764 3.626 4.028 0.074 10 0 "[ . 1 . ]" 3
162 1 102 ALA H 1 104 ASP H 5.000 3.700 5.000 4.126 3.906 4.292 . 0 0 "[ . 1 . ]" 3
163 1 101 ARG HA 1 104 ASP H 3.700 2.900 3.700 3.524 3.230 3.739 0.039 7 0 "[ . 1 . ]" 3
164 1 104 ASP H 1 104 ASP HB2 2.900 . 2.900 2.430 2.305 2.581 . 0 0 "[ . 1 . ]" 3
165 1 104 ASP H 1 104 ASP HB3 2.900 . 2.900 2.389 2.194 2.692 . 0 0 "[ . 1 . ]" 3
166 1 103 VAL HB 1 104 ASP H 3.700 2.900 3.700 3.204 2.884 3.956 0.256 6 0 "[ . 1 . ]" 3
167 1 104 ASP H 1 111 ILE MD 5.000 3.700 5.000 3.566 2.640 4.151 1.060 6 2 "[ .+- 1 . ]" 3
168 1 104 ASP H 1 111 ILE HG13 5.000 3.700 5.000 4.632 4.399 5.003 0.003 5 0 "[ . 1 . ]" 3
169 1 157 PHE H 1 160 ASN H 5.000 3.700 5.000 4.930 4.830 5.086 0.086 13 0 "[ . 1 . ]" 3
170 1 156 ASP H 1 157 PHE H 3.000 2.600 3.000 2.894 2.734 3.006 0.006 17 0 "[ . 1 . ]" 3
171 1 156 ASP HA 1 157 PHE H 3.700 3.300 3.700 3.620 3.530 3.669 . 0 0 "[ . 1 . ]" 3
172 1 154 GLY QA 1 157 PHE H 3.700 3.700 3.700 3.412 3.086 3.699 0.614 5 1 "[ + 1 . ]" 3
173 1 45 HIS H 1 45 HIS HA 3.700 2.900 3.700 2.927 2.825 3.031 0.075 5 0 "[ . 1 . ]" 3
174 1 43 ALA HA 1 45 HIS H 5.000 3.700 5.000 4.135 3.680 4.685 0.020 5 0 "[ . 1 . ]" 3
175 1 45 HIS H 1 45 HIS QB . 2.900 2.900 2.426 2.210 2.736 0.690 9 7 "[ - ** *+1 * . *]" 3
176 1 44 GLU QG 1 45 HIS H 3.700 2.900 3.700 3.973 2.596 4.339 0.639 1 6 "[+ . * 1*** .- ]" 3
177 1 43 ALA MB 1 44 GLU H 2.900 . 2.900 2.572 2.064 2.981 0.081 3 0 "[ . 1 . ]" 3
178 1 43 ALA HA 1 44 GLU H 3.700 2.900 3.700 3.578 3.502 3.684 . 0 0 "[ . 1 . ]" 3
179 1 100 PHE H 1 150 PHE QD 5.000 3.700 5.000 4.113 3.551 4.435 0.149 10 0 "[ . 1 . ]" 3
180 1 100 PHE H 1 100 PHE HA 3.700 2.900 3.700 2.908 2.889 2.937 0.011 3 0 "[ . 1 . ]" 3
181 1 98 LEU HA 1 100 PHE H 5.000 3.700 5.000 4.427 4.167 4.674 . 0 0 "[ . 1 . ]" 3
182 1 99 PHE QB 1 100 PHE H 3.700 2.900 3.700 2.713 2.502 2.946 0.398 6 0 "[ . 1 . ]" 3
183 1 160 ASN H 1 160 ASN HA 3.700 2.900 3.700 3.017 2.862 3.067 0.038 12 0 "[ . 1 . ]" 3
184 1 142 ASP H 1 142 ASP QB 3.700 2.900 3.700 2.535 2.416 2.759 0.484 1 0 "[ . 1 . ]" 3
185 1 142 ASP H 1 142 ASP HA 3.700 2.900 3.700 3.066 3.005 3.094 . 0 0 "[ . 1 . ]" 3
186 1 142 ASP H 1 143 GLY HA3 5.000 3.700 5.000 5.227 4.825 5.413 0.413 9 0 "[ . 1 . ]" 3
187 1 141 ASN HB2 1 142 ASP H 5.000 3.700 5.000 4.441 4.090 4.706 . 0 0 "[ . 1 . ]" 3
188 1 141 ASN HB3 1 142 ASP H 5.000 3.700 5.000 4.416 3.984 4.560 . 0 0 "[ . 1 . ]" 3
189 1 76 ILE H 1 77 ASN H 3.000 2.600 3.000 2.825 2.699 2.912 . 0 0 "[ . 1 . ]" 3
190 1 77 ASN H 1 77 ASN HA 2.900 . 2.900 2.933 2.906 2.953 0.053 4 0 "[ . 1 . ]" 3
191 1 74 THR HA 1 77 ASN H 3.600 3.200 3.600 3.651 3.615 3.697 0.097 17 0 "[ . 1 . ]" 3
192 1 76 ILE HA 1 77 ASN H 3.700 3.300 3.700 3.640 3.595 3.670 . 0 0 "[ . 1 . ]" 3
193 1 77 ASN H 1 77 ASN HB2 3.700 2.900 3.700 2.453 2.381 2.572 0.519 1 4 "[+ * * 1 .- ]" 3
194 1 77 ASN H 1 77 ASN HB3 2.900 . 2.900 2.981 2.450 3.707 0.807 17 6 "[ -. * ** * +]" 3
195 1 76 ILE HB 1 77 ASN H 2.900 . 2.900 2.884 2.685 2.946 0.046 9 0 "[ . 1 . ]" 3
196 1 76 ILE QG 1 77 ASN H 5.000 3.700 5.000 4.495 4.177 4.744 . 0 0 "[ . 1 . ]" 3
197 1 73 THR MG 1 77 ASN H 5.000 3.700 5.000 4.465 4.197 4.708 . 0 0 "[ . 1 . ]" 3
198 1 76 ILE MD 1 77 ASN H 5.000 3.700 5.000 4.780 4.390 4.979 . 0 0 "[ . 1 . ]" 3
199 1 76 ILE MG 1 77 ASN H 5.000 3.700 5.000 3.287 2.875 3.676 0.825 16 8 "[ -*. * *** * .+ ]" 3
200 1 150 PHE QD 1 151 VAL H 3.700 2.900 3.700 3.796 3.514 4.113 0.413 10 0 "[ . 1 . ]" 3
201 1 150 PHE HB2 1 151 VAL H 5.000 3.700 5.000 3.903 3.819 4.000 . 0 0 "[ . 1 . ]" 3
202 1 150 PHE HB3 1 151 VAL H 2.900 . 2.900 2.696 2.513 2.831 . 0 0 "[ . 1 . ]" 3
203 1 150 PHE HA 1 151 VAL H 3.700 3.300 3.700 3.656 3.642 3.679 . 0 0 "[ . 1 . ]" 3
204 1 151 VAL H 1 151 VAL HA 3.700 2.900 3.700 2.953 2.898 2.976 0.002 7 0 "[ . 1 . ]" 3
205 1 148 GLU HA 1 151 VAL H 5.000 3.700 5.000 3.816 3.684 3.949 0.016 12 0 "[ . 1 . ]" 3
206 1 151 VAL H 1 152 ILE HB 5.000 3.700 5.000 4.943 4.858 5.006 0.006 12 0 "[ . 1 . ]" 3
207 1 151 VAL H 1 151 VAL QG 2.900 . 2.900 2.373 2.130 2.886 . 0 0 "[ . 1 . ]" 3
208 1 147 LEU QD 1 151 VAL H 5.000 3.700 5.000 3.505 3.166 3.685 0.534 8 1 "[ . + 1 . ]" 3
209 1 101 ARG HA 1 102 ALA H 3.700 3.300 3.700 3.545 3.460 3.622 . 0 0 "[ . 1 . ]" 3
210 1 101 ARG QB 1 102 ALA H 2.900 . 2.900 2.937 2.568 3.225 0.325 1 0 "[ . 1 . ]" 3
211 1 102 ALA H 1 102 ALA MB 2.900 . 2.900 2.298 2.248 2.348 . 0 0 "[ . 1 . ]" 3
212 1 102 ALA H 1 103 VAL QG 5.000 3.700 5.000 4.417 4.048 4.641 . 0 0 "[ . 1 . ]" 3
213 1 50 MET H 1 51 ASP H 3.000 2.600 3.000 2.835 2.661 2.954 . 0 0 "[ . 1 . ]" 3
214 1 49 LEU H 1 50 MET H 3.000 2.600 3.000 2.916 2.726 3.000 0.000 13 0 "[ . 1 . ]" 3
215 1 50 MET H 1 50 MET HA 2.900 . 2.900 2.931 2.913 2.949 0.049 9 0 "[ . 1 . ]" 3
216 1 47 LYS HA 1 50 MET H 3.600 3.200 3.600 3.550 3.282 3.665 0.065 15 0 "[ . 1 . ]" 3
217 1 49 LEU HA 1 50 MET H 3.700 3.300 3.700 3.648 3.595 3.719 0.019 1 0 "[ . 1 . ]" 3
218 1 50 MET H 1 50 MET QG 5.000 3.700 5.000 4.042 3.149 4.193 0.551 2 1 "[ + . 1 . ]" 3
219 1 50 MET H 1 51 ASP QB 5.000 3.700 5.000 4.783 4.244 5.079 0.079 2 0 "[ . 1 . ]" 3
220 1 50 MET H 1 50 MET QB 2.900 . 2.900 2.276 2.177 2.336 . 0 0 "[ . 1 . ]" 3
221 1 49 LEU QB 1 50 MET H 2.900 . 2.900 2.616 2.371 3.570 0.670 15 1 "[ . 1 + ]" 3
222 1 49 LEU QD 1 50 MET H 5.000 3.700 5.000 3.705 2.789 4.080 0.911 15 2 "[ . -1 + ]" 3
223 1 82 MET H 1 84 LYS H 4.400 4.000 4.400 4.330 4.012 4.561 0.161 3 0 "[ . 1 . ]" 3
224 1 82 MET H 1 87 GLU H 12.000 10.000 12.000 10.402 9.897 11.452 0.103 3 0 "[ . 1 . ]" 3
225 1 83 VAL H 1 87 GLU H 10.000 9.000 10.000 9.190 8.941 9.571 0.059 17 0 "[ . 1 . ]" 3
226 1 79 MET HA 1 82 MET H 3.600 3.200 3.600 3.579 3.199 3.688 0.088 17 0 "[ . 1 . ]" 3
227 1 82 MET H 1 82 MET HA 2.900 . 2.900 2.936 2.904 2.968 0.068 17 0 "[ . 1 . ]" 3
228 1 82 MET H 1 82 MET QG 2.900 . 2.900 2.772 2.269 3.575 0.675 6 2 "[ .+ 1 .- ]" 3
229 1 82 MET H 1 83 VAL QG 5.000 3.700 5.000 4.164 3.728 4.437 . 0 0 "[ . 1 . ]" 3
230 1 37 LYS H 1 38 GLU H 2.900 . 2.900 2.745 2.552 2.946 0.046 15 0 "[ . 1 . ]" 3
231 1 63 ALA H 1 64 VAL H 2.900 . 2.900 2.711 2.672 2.759 . 0 0 "[ . 1 . ]" 3
232 1 64 VAL H 1 65 ALA H 2.900 . 2.900 2.811 2.686 3.017 0.117 14 0 "[ . 1 . ]" 3
233 1 64 VAL H 1 64 VAL HA 2.900 . 2.900 2.951 2.937 2.964 0.064 6 0 "[ . 1 . ]" 3
234 1 63 ALA HA 1 64 VAL H 3.700 2.900 3.700 3.417 3.346 3.470 . 0 0 "[ . 1 . ]" 3
235 1 64 VAL H 1 64 VAL HB 2.900 . 2.900 2.616 2.450 2.717 . 0 0 "[ . 1 . ]" 3
236 1 64 VAL H 1 64 VAL MG1 5.000 3.700 5.000 3.952 3.895 4.007 . 0 0 "[ . 1 . ]" 3
237 1 64 VAL H 1 64 VAL MG2 2.900 . 2.900 2.418 2.281 2.572 . 0 0 "[ . 1 . ]" 3
238 1 63 ALA MB 1 64 VAL H 2.900 . 2.900 3.209 3.189 3.234 0.334 2 0 "[ . 1 . ]" 3
239 1 138 ASP H 1 138 ASP HA 3.700 2.900 3.700 2.926 2.895 2.981 0.005 6 0 "[ . 1 . ]" 3
240 1 137 ILE HA 1 138 ASP H 3.700 2.900 3.700 3.618 3.584 3.644 . 0 0 "[ . 1 . ]" 3
241 1 138 ASP H 1 138 ASP QB 2.900 . 2.900 2.175 2.089 2.246 . 0 0 "[ . 1 . ]" 3
242 1 137 ILE HB 1 138 ASP H 3.000 . 3.000 2.860 2.604 3.012 0.012 7 0 "[ . 1 . ]" 3
243 1 137 ILE MG 1 138 ASP H 3.700 2.900 3.700 3.785 3.645 3.866 0.166 11 0 "[ . 1 . ]" 3
244 1 137 ILE QG 1 138 ASP H 5.000 3.700 5.000 4.181 4.026 4.360 . 0 0 "[ . 1 . ]" 3
245 1 137 ILE MD 1 138 ASP H 5.000 3.700 5.000 4.726 4.365 4.934 . 0 0 "[ . 1 . ]" 3
246 1 138 ASP H 1 145 LEU QD 3.700 2.900 3.700 2.867 2.672 3.183 0.228 2 0 "[ . 1 . ]" 3
247 1 134 PHE HA 1 138 ASP H 5.000 3.700 5.000 4.182 4.036 4.297 . 0 0 "[ . 1 . ]" 3
248 1 47 LYS H 1 49 LEU H 4.400 4.000 4.400 4.249 4.104 4.419 0.019 15 0 "[ . 1 . ]" 3
249 1 46 ALA H 1 47 LYS H 3.000 2.600 3.000 2.857 2.595 3.020 0.020 17 0 "[ . 1 . ]" 3
250 1 47 LYS H 1 48 VAL H 3.000 2.600 3.000 2.617 2.567 2.772 0.033 5 0 "[ . 1 . ]" 3
251 1 47 LYS H 1 47 LYS HA 2.900 . 2.900 2.953 2.935 2.965 0.065 5 0 "[ . 1 . ]" 3
252 1 47 LYS H 1 48 VAL QG 5.000 3.700 5.000 4.368 3.927 4.598 . 0 0 "[ . 1 . ]" 3
253 1 46 ALA MB 1 47 LYS H 2.900 . 2.900 2.687 2.554 2.867 . 0 0 "[ . 1 . ]" 3
254 1 47 LYS H 1 48 VAL HB 5.000 3.700 5.000 4.529 4.210 5.000 0.000 14 0 "[ . 1 . ]" 3
255 1 47 LYS H 1 47 LYS QB 2.900 . 2.900 2.466 2.178 2.972 0.072 13 0 "[ . 1 . ]" 3
256 1 142 ASP H 1 144 LEU H 3.700 2.900 3.700 3.665 3.308 3.756 0.056 4 0 "[ . 1 . ]" 3
257 1 144 LEU H 1 144 LEU HA 3.700 2.900 3.700 3.036 3.005 3.070 . 0 0 "[ . 1 . ]" 3
258 1 143 GLY HA3 1 144 LEU H 3.700 2.900 3.700 3.471 3.233 3.566 . 0 0 "[ . 1 . ]" 3
259 1 143 GLY HA2 1 144 LEU H 3.700 2.900 3.700 3.118 2.983 3.424 . 0 0 "[ . 1 . ]" 3
260 1 144 LEU H 1 144 LEU QB 2.900 2.900 2.900 2.637 2.565 2.816 0.335 12 0 "[ . 1 . ]" 3
261 1 138 ASP QB 1 144 LEU H 5.000 3.700 5.000 4.527 4.155 5.303 0.303 12 0 "[ . 1 . ]" 3
262 1 144 LEU H 1 144 LEU HG 5.000 3.700 5.000 4.814 4.553 5.031 0.031 9 0 "[ . 1 . ]" 3
263 1 144 LEU H 1 145 LEU QD 5.000 3.700 5.000 4.274 3.781 4.653 . 0 0 "[ . 1 . ]" 3
264 1 36 ALA H 1 37 LYS H 3.000 2.600 3.000 2.890 2.749 3.019 0.019 10 0 "[ . 1 . ]" 3
265 1 35 PHE H 1 36 ALA H 3.000 2.600 3.000 2.679 2.598 2.808 0.002 3 0 "[ . 1 . ]" 3
266 1 35 PHE HA 1 36 ALA H 3.700 3.300 3.700 3.626 3.588 3.682 . 0 0 "[ . 1 . ]" 3
267 1 36 ALA H 1 36 ALA HA 2.900 . 2.900 2.918 2.894 2.939 0.039 17 0 "[ . 1 . ]" 3
268 1 33 GLU HA 1 36 ALA H 3.600 3.200 3.600 3.643 3.611 3.694 0.094 9 0 "[ . 1 . ]" 3
269 1 35 PHE HB2 1 36 ALA H 3.700 2.900 3.700 3.649 2.799 3.810 0.110 17 0 "[ . 1 . ]" 3
270 1 35 PHE HB3 1 36 ALA H 2.900 . 2.900 2.684 2.510 3.045 0.145 6 0 "[ . 1 . ]" 3
271 1 36 ALA H 1 36 ALA MB 2.900 . 2.900 2.284 2.225 2.341 . 0 0 "[ . 1 . ]" 3
272 1 36 ALA H 1 49 LEU QD 3.700 2.900 3.700 2.586 2.398 2.980 0.502 6 1 "[ .+ 1 . ]" 3
273 1 36 ALA H 1 49 LEU HG 5.000 3.700 5.000 4.526 4.026 5.024 0.024 9 0 "[ . 1 . ]" 3
274 1 129 MET H 1 130 ALA H 2.900 . 2.900 2.532 2.445 2.657 . 0 0 "[ . 1 . ]" 3
275 1 129 MET H 1 129 MET QB 2.900 . 2.900 2.345 2.110 3.213 0.313 5 0 "[ . 1 . ]" 3
276 1 129 MET H 1 130 ALA MB 4.500 3.700 4.500 4.225 4.117 4.323 . 0 0 "[ . 1 . ]" 3
277 1 20 ASP H 1 20 ASP HA 3.700 2.900 3.700 3.009 2.940 3.051 . 0 0 "[ . 1 . ]" 3
278 1 19 LYS QB 1 20 ASP H . 3.700 3.700 4.114 3.939 4.327 0.627 4 6 "[ * +. - *1* .* ]" 3
279 1 18 ASP HB2 1 20 ASP H 5.000 3.700 5.000 4.710 4.265 5.022 0.022 10 0 "[ . 1 . ]" 3
280 1 18 ASP HA 1 20 ASP H 5.000 3.700 5.000 4.912 4.498 5.092 0.092 5 0 "[ . 1 . ]" 3
281 1 19 LYS HA 1 20 ASP H 3.700 2.900 3.700 3.089 2.856 3.374 0.044 6 0 "[ . 1 . ]" 3
282 1 108 ASP H 1 109 ASN HA 5.000 3.700 5.000 4.540 4.229 4.852 . 0 0 "[ . 1 . ]" 3
283 1 107 GLU HA 1 108 ASP H 2.900 . 2.900 2.746 2.487 2.991 0.091 3 0 "[ . 1 . ]" 3
284 1 114 ASP H 1 116 TYR H 4.400 4.000 4.400 4.266 4.076 4.411 0.011 9 0 "[ . 1 . ]" 3
285 1 114 ASP H 1 114 ASP HA 3.700 2.900 3.700 2.970 2.921 3.012 . 0 0 "[ . 1 . ]" 3
286 1 114 ASP H 1 114 ASP QB 2.900 2.900 2.900 2.428 2.299 2.590 0.601 4 6 "[ +** 1-** . ]" 3
287 1 113 ARG QB 1 114 ASP H 2.900 . 2.900 3.077 2.128 3.764 0.864 11 7 "[* * . * *+ *- ]" 3
288 1 24 THR H 1 27 ASP H 3.700 2.900 3.700 3.456 3.229 3.658 . 0 0 "[ . 1 . ]" 3
289 1 24 THR H 1 24 THR HA 3.700 2.900 3.700 3.018 2.939 3.078 . 0 0 "[ . 1 . ]" 3
290 1 23 ILE MG 1 24 THR H 3.700 2.900 3.700 2.929 2.531 3.300 0.369 12 0 "[ . 1 . ]" 3
291 1 24 THR H 1 24 THR MG 3.700 2.900 3.700 2.857 2.551 3.150 0.349 5 0 "[ . 1 . ]" 3
292 1 167 LYS H 1 167 LYS HA 3.700 2.800 3.700 3.020 2.882 3.096 . 0 0 "[ . 1 . ]" 3
293 1 165 THR HA 1 167 LYS H 3.700 2.900 3.700 3.615 3.212 3.820 0.120 11 0 "[ . 1 . ]" 3
294 1 167 LYS H 1 167 LYS HB3 2.900 . 2.900 2.868 2.537 3.241 0.341 5 0 "[ . 1 . ]" 3
295 1 167 LYS H 1 167 LYS HG3 3.700 2.900 3.700 3.456 3.143 3.844 0.144 2 0 "[ . 1 . ]" 3
296 1 167 LYS H 1 168 VAL QG 5.000 3.700 5.000 4.034 3.173 4.417 0.527 7 1 "[ . + 1 . ]" 3
297 1 4 TRP HE3 1 5 VAL H 3.700 2.900 3.700 3.176 2.874 3.525 0.026 10 0 "[ . 1 . ]" 3
298 1 5 VAL H 1 5 VAL HB 2.900 . 2.900 2.538 2.443 2.642 . 0 0 "[ . 1 . ]" 3
299 1 5 VAL H 1 5 VAL HA 3.700 2.900 3.700 2.959 2.927 2.983 . 0 0 "[ . 1 . ]" 3
300 1 4 TRP QB 1 5 VAL H 3.700 2.900 3.700 2.612 2.434 2.861 0.466 9 0 "[ . 1 . ]" 3
301 1 2 ASP HA 1 5 VAL H 4.500 3.700 4.500 3.857 3.675 4.368 0.025 12 0 "[ . 1 . ]" 3
302 1 5 VAL H 1 5 VAL QG 2.900 2.900 2.900 2.414 2.315 2.549 0.585 3 9 "[* + * * *-* ** ]" 3
303 1 9 LYS H 1 10 THR H 3.000 2.600 3.000 2.827 2.710 3.036 0.036 11 0 "[ . 1 . ]" 3
304 1 9 LYS H 1 9 LYS HA 2.900 . 2.900 2.906 2.805 2.933 0.033 1 0 "[ . 1 . ]" 3
305 1 9 LYS H 1 9 LYS QG 2.900 . 2.900 3.069 2.442 3.678 0.778 12 5 "[ *. * + *- ]" 3
306 1 9 LYS H 1 9 LYS QB 2.900 . 2.900 2.309 1.975 2.625 . 0 0 "[ . 1 . ]" 3
307 1 48 VAL H 1 49 LEU H 3.000 2.600 3.000 2.801 2.591 2.980 0.009 4 0 "[ . 1 . ]" 3
308 1 46 ALA H 1 48 VAL H 4.400 4.000 4.400 4.245 4.059 4.411 0.011 1 0 "[ . 1 . ]" 3
309 1 45 HIS HA 1 48 VAL H 3.600 3.000 3.600 3.297 2.979 3.611 0.021 7 0 "[ . 1 . ]" 3
310 1 47 LYS HA 1 48 VAL H 3.700 3.300 3.700 3.550 3.494 3.609 . 0 0 "[ . 1 . ]" 3
311 1 48 VAL H 1 48 VAL HA 2.900 . 2.900 2.908 2.857 2.935 0.035 14 0 "[ . 1 . ]" 3
312 1 47 LYS QB 1 48 VAL H 2.900 . 2.900 2.962 2.217 3.571 0.671 16 7 "[ * *.* * 1 -*.+ ]" 3
313 1 48 VAL H 1 48 VAL HB 2.900 . 2.900 2.290 2.030 2.780 . 0 0 "[ . 1 . ]" 3
314 1 48 VAL H 1 48 VAL QG 3.700 2.900 3.700 2.640 2.074 2.972 0.826 7 7 "[- . + ** *** ]" 3
315 1 47 LYS QG 1 48 VAL H 3.700 2.900 3.700 3.392 2.183 4.281 0.717 4 5 "[ * +.- 1** . ]" 3
316 1 136 ALA H 1 138 ASP H 4.400 4.000 4.400 4.331 4.171 4.425 0.025 8 0 "[ . 1 . ]" 3
317 1 135 ASP HA 1 136 ALA H 3.700 2.900 3.700 3.596 3.563 3.636 . 0 0 "[ . 1 . ]" 3
318 1 136 ALA H 1 136 ALA HA 2.900 . 2.900 2.951 2.938 2.970 0.070 11 0 "[ . 1 . ]" 3
319 1 134 PHE QB 1 136 ALA H 5.000 3.700 5.000 4.793 4.621 4.883 . 0 0 "[ . 1 . ]" 3
320 1 135 ASP QB 1 136 ALA H 2.900 . 2.900 2.901 2.719 3.152 0.252 5 0 "[ . 1 . ]" 3
321 1 136 ALA H 1 136 ALA MB 2.900 . 2.900 2.253 2.198 2.345 . 0 0 "[ . 1 . ]" 3
322 1 134 PHE H 1 136 ALA H 4.400 4.000 4.400 4.352 4.208 4.434 0.034 11 0 "[ . 1 . ]" 3
323 1 133 SER HA 1 136 ALA H 3.600 3.200 3.600 3.664 3.627 3.734 0.134 5 0 "[ . 1 . ]" 3
324 1 63 ALA H 1 63 ALA HA 3.700 2.900 3.700 2.988 2.968 3.000 . 0 0 "[ . 1 . ]" 3
325 1 63 ALA H 1 64 VAL HA 5.200 3.700 5.200 5.240 5.233 5.251 0.051 14 0 "[ . 1 . ]" 3
326 1 62 THR MG 1 63 ALA H 3.700 2.900 3.700 3.637 3.286 3.854 0.154 10 0 "[ . 1 . ]" 3
327 1 63 ALA H 1 63 ALA MB 2.900 . 2.900 2.231 2.197 2.262 . 0 0 "[ . 1 . ]" 3
328 1 63 ALA H 1 64 VAL MG2 5.000 3.700 5.000 3.826 3.640 3.935 0.060 8 0 "[ . 1 . ]" 3
329 1 84 LYS HA 1 85 ASN H 3.700 2.900 3.700 3.463 2.871 3.640 0.029 1 0 "[ . 1 . ]" 3
330 1 84 LYS QB 1 85 ASN H 3.700 2.900 3.700 2.912 2.730 3.462 0.170 3 0 "[ . 1 . ]" 3
331 1 84 LYS QG 1 85 ASN H 5.000 3.700 5.000 4.389 3.420 4.646 0.280 1 0 "[ . 1 . ]" 3
332 1 83 VAL HA 1 85 ASN H 5.000 3.700 5.000 4.031 3.665 4.876 0.035 1 0 "[ . 1 . ]" 3
333 1 85 ASN H 1 85 ASN HA 3.700 2.900 3.700 3.038 2.934 3.129 . 0 0 "[ . 1 . ]" 3
334 1 85 ASN H 1 85 ASN HD21 5.000 3.700 5.000 4.818 4.377 5.715 0.715 2 1 "[ + . 1 . ]" 3
335 1 82 MET HA 1 85 ASN H 5.000 3.700 5.000 4.186 3.622 4.957 0.078 11 0 "[ . 1 . ]" 3
336 1 85 ASN H 1 85 ASN HB2 2.900 . 2.900 2.640 1.873 2.929 0.029 8 0 "[ . 1 . ]" 3
337 1 85 ASN H 1 85 ASN HB3 2.900 . 2.900 2.595 2.381 3.086 0.186 17 0 "[ . 1 . ]" 3
338 1 91 VAL H 1 92 VAL H 2.900 . 2.900 2.170 1.789 2.408 0.011 14 0 "[ . 1 . ]" 3
339 1 92 VAL H 1 92 VAL HA 3.700 2.900 3.700 3.033 2.992 3.063 . 0 0 "[ . 1 . ]" 3
340 1 91 VAL HB 1 92 VAL H 5.000 3.700 5.000 4.114 3.625 4.275 0.075 4 0 "[ . 1 . ]" 3
341 1 89 LYS HA 1 92 VAL H 3.600 3.200 3.600 3.661 3.604 3.705 0.105 1 0 "[ . 1 . ]" 3
342 1 34 ARG H 1 35 PHE H 2.900 . 2.900 2.859 2.691 2.934 0.034 6 0 "[ . 1 . ]" 3
343 1 32 ALA HA 1 33 GLU H 3.700 2.900 3.700 3.632 3.593 3.672 . 0 0 "[ . 1 . ]" 3
344 1 32 ALA MB 1 33 GLU H 2.900 . 2.900 2.506 2.305 2.620 . 0 0 "[ . 1 . ]" 3
345 1 34 ARG H 1 34 ARG HA 2.900 . 2.900 2.926 2.908 2.959 0.059 17 0 "[ . 1 . ]" 3
346 1 33 GLU HA 1 34 ARG H 3.700 3.300 3.700 3.629 3.588 3.667 . 0 0 "[ . 1 . ]" 3
347 1 34 ARG H 1 35 PHE HB2 5.000 3.700 5.000 4.970 4.463 5.154 0.154 3 0 "[ . 1 . ]" 3
348 1 31 MET HA 1 34 ARG H 3.800 3.400 3.800 3.773 3.586 3.836 0.036 5 0 "[ . 1 . ]" 3
349 1 75 PHE H 1 76 ILE H 3.000 2.600 3.000 2.904 2.845 3.021 0.021 3 0 "[ . 1 . ]" 3
350 1 75 PHE QD 1 76 ILE H 3.700 2.900 3.700 3.606 3.266 3.892 0.192 13 0 "[ . 1 . ]" 3
351 1 75 PHE HB2 1 76 ILE H 3.700 2.900 3.700 3.920 3.812 4.022 0.322 15 0 "[ . 1 . ]" 3
352 1 76 ILE H 1 76 ILE HA 2.900 . 2.900 2.938 2.925 2.964 0.064 3 0 "[ . 1 . ]" 3
353 1 76 ILE H 1 76 ILE HB 2.900 . 2.900 2.377 2.166 2.552 . 0 0 "[ . 1 . ]" 3
354 1 76 ILE H 1 76 ILE MD 3.700 2.900 3.700 3.074 2.417 3.646 0.483 13 0 "[ . 1 . ]" 3
355 1 76 ILE H 1 76 ILE MG 3.700 2.900 3.700 3.832 3.705 3.921 0.221 5 0 "[ . 1 . ]" 3
356 1 14 ARG H 1 16 ASP H 4.500 3.700 4.500 4.254 4.033 4.510 0.010 17 0 "[ . 1 . ]" 3
357 1 15 ILE H 1 16 ASP H 2.900 . 2.900 2.736 2.622 3.092 0.192 5 0 "[ . 1 . ]" 3
358 1 16 ASP H 1 17 PHE H 3.700 2.900 3.700 3.721 3.646 3.780 0.080 10 0 "[ . 1 . ]" 3
359 1 15 ILE HA 1 16 ASP H 3.700 2.900 3.700 3.521 3.316 3.646 . 0 0 "[ . 1 . ]" 3
360 1 14 ARG HA 1 16 ASP H 5.000 3.700 5.000 4.392 4.017 4.820 . 0 0 "[ . 1 . ]" 3
361 1 13 ASN HA 1 16 ASP H 4.500 3.700 4.500 3.749 3.665 4.031 0.035 6 0 "[ . 1 . ]" 3
362 1 16 ASP H 1 16 ASP HA 3.700 2.900 3.700 2.974 2.898 3.116 0.002 8 0 "[ . 1 . ]" 3
363 1 16 ASP H 1 16 ASP HB2 2.900 . 2.900 2.567 2.374 2.786 . 0 0 "[ . 1 . ]" 3
364 1 16 ASP H 1 16 ASP HB3 2.900 . 2.900 2.430 2.114 2.769 . 0 0 "[ . 1 . ]" 3
365 1 15 ILE MG 1 16 ASP H 3.700 2.900 3.700 2.791 2.468 3.535 0.432 11 0 "[ . 1 . ]" 3
366 1 24 THR HB 1 25 ARG H 2.900 . 2.900 2.809 2.122 3.442 0.542 14 2 "[ -. 1 +. ]" 3
367 1 25 ARG H 1 25 ARG HA 2.900 . 2.900 2.861 2.803 2.937 0.037 2 0 "[ . 1 . ]" 3
368 1 25 ARG H 1 25 ARG QB 2.900 . 2.900 2.267 2.206 2.363 . 0 0 "[ . 1 . ]" 3
369 1 25 ARG H 1 25 ARG QG 5.000 3.700 5.000 4.001 3.897 4.100 . 0 0 "[ . 1 . ]" 3
370 1 25 ARG H 1 25 ARG QD 5.000 3.700 5.000 4.599 4.438 4.763 . 0 0 "[ . 1 . ]" 3
371 1 25 ARG H 1 57 TRP HZ3 5.000 3.700 5.000 5.006 4.766 5.072 0.072 16 0 "[ . 1 . ]" 3
372 1 25 ARG H 1 57 TRP HE3 5.000 3.700 5.000 4.843 4.461 5.036 0.036 7 0 "[ . 1 . ]" 3
373 1 25 ARG H 1 57 TRP HZ2 4.500 3.700 4.500 3.946 3.686 4.263 0.014 4 0 "[ . 1 . ]" 3
374 1 156 ASP H 1 156 ASP HA 3.700 2.900 3.700 2.934 2.891 2.978 0.009 14 0 "[ . 1 . ]" 3
375 1 155 SER QB 1 156 ASP H 2.900 . 2.900 2.877 2.451 3.551 0.651 16 5 "[ - .** 1 * .+ ]" 3
376 1 156 ASP H 1 156 ASP QB 2.900 . 2.900 2.277 2.172 2.553 . 0 0 "[ . 1 . ]" 3
377 1 152 ILE MG 1 156 ASP H 5.000 3.700 5.000 4.351 4.210 4.582 . 0 0 "[ . 1 . ]" 3
378 1 64 VAL HB 1 65 ALA H 2.900 . 2.900 2.728 2.606 2.935 0.035 14 0 "[ . 1 . ]" 3
379 1 64 VAL MG2 1 65 ALA H 5.000 3.700 5.000 4.085 4.004 4.294 . 0 0 "[ . 1 . ]" 3
380 1 64 VAL MG1 1 65 ALA H 3.700 2.900 3.700 3.507 3.203 3.791 0.091 8 0 "[ . 1 . ]" 3
381 1 65 ALA H 1 65 ALA MB 2.900 . 2.900 2.621 2.434 2.988 0.088 14 0 "[ . 1 . ]" 3
382 1 65 ALA H 1 70 ILE QG . 3.700 3.700 3.871 2.869 4.456 0.831 14 12 "[* **. * *-***+* *]" 3
383 1 31 MET H 1 32 ALA H 3.000 2.600 3.000 2.944 2.813 3.006 0.006 17 0 "[ . 1 . ]" 3
384 1 32 ALA H 1 32 ALA HA 2.900 . 2.900 2.900 2.850 2.933 0.033 7 0 "[ . 1 . ]" 3
385 1 29 GLU HA 1 32 ALA H 4.000 3.500 4.000 3.601 3.480 3.892 0.020 17 0 "[ . 1 . ]" 3
386 1 31 MET HA 1 32 ALA H 3.700 3.300 3.700 3.640 3.618 3.687 . 0 0 "[ . 1 . ]" 3
387 1 32 ALA H 1 32 ALA MB 2.900 . 2.900 2.281 2.196 2.318 . 0 0 "[ . 1 . ]" 3
388 1 31 MET QB 1 32 ALA H 2.900 . 2.900 2.690 2.412 3.668 0.768 7 2 "[ . + 1 .- ]" 3
389 1 32 ALA H 1 53 LEU QD 3.700 2.900 3.700 2.767 2.410 2.972 0.490 13 0 "[ . 1 . ]" 3
390 1 32 ALA H 1 50 MET ME 5.000 3.700 5.000 4.745 4.422 4.942 . 0 0 "[ . 1 . ]" 3
391 1 119 PHE QD 1 120 PHE H 5.000 3.700 5.000 3.319 2.839 3.980 0.861 6 6 "[* *+*- 1 . *]" 3
392 1 120 PHE H 1 120 PHE QD 2.900 . 2.900 2.639 2.359 3.061 0.161 7 0 "[ . 1 . ]" 3
393 1 119 PHE H 1 120 PHE H 3.000 2.600 3.000 2.947 2.874 3.006 0.006 11 0 "[ . 1 . ]" 3
394 1 118 ILE HA 1 120 PHE H 4.600 4.200 4.600 4.613 4.559 4.633 0.033 12 0 "[ . 1 . ]" 3
395 1 120 PHE H 1 120 PHE HA 2.900 . 2.900 2.929 2.905 2.954 0.054 12 0 "[ . 1 . ]" 3
396 1 120 PHE H 1 120 PHE QB 2.900 2.900 2.900 2.313 2.235 2.378 0.665 6 17 [*****+*********-*] 3
397 1 74 THR H 1 75 PHE H 3.000 2.600 3.000 3.022 3.003 3.047 0.047 4 0 "[ . 1 . ]" 3
398 1 73 THR HA 1 74 THR H 3.700 3.300 3.700 3.444 3.326 3.603 . 0 0 "[ . 1 . ]" 3
399 1 74 THR H 1 74 THR HA 3.700 2.900 3.700 2.953 2.923 2.967 . 0 0 "[ . 1 . ]" 3
400 1 73 THR HB 1 74 THR H 2.900 . 2.900 2.468 2.095 3.209 0.309 13 0 "[ . 1 . ]" 3
401 1 74 THR H 1 74 THR HB 2.900 . 2.900 3.855 3.801 3.899 0.999 15 17 [*************-+**] 3
402 1 74 THR H 1 74 THR MG 3.700 2.900 3.700 2.473 2.319 2.572 0.581 14 4 "[ .* 1 *-+. ]" 3
403 1 68 LYS H 1 68 LYS HA 3.700 2.900 3.700 3.027 2.853 3.091 0.047 9 0 "[ . 1 . ]" 3
404 1 68 LYS H 1 68 LYS QB 2.900 . 2.900 2.546 2.207 3.143 0.243 9 0 "[ . 1 . ]" 3
405 1 65 ALA MB 1 68 LYS H 3.700 2.900 3.700 3.348 3.008 3.618 . 0 0 "[ . 1 . ]" 3
406 1 65 ALA H 1 68 LYS H 5.000 3.700 5.000 4.804 3.907 5.080 0.080 13 0 "[ . 1 . ]" 3
407 1 27 ASP H 1 27 ASP HA 2.900 . 2.900 2.924 2.899 2.950 0.050 7 0 "[ . 1 . ]" 3
408 1 26 MET HA 1 27 ASP H 3.700 3.300 3.700 3.586 3.528 3.636 . 0 0 "[ . 1 . ]" 3
409 1 27 ASP H 1 27 ASP QB . 2.900 2.900 2.416 2.073 2.627 0.827 8 6 "[ -* + * .**]" 3
410 1 26 MET HG3 1 27 ASP H 5.100 3.700 5.100 4.721 3.664 5.222 0.122 10 0 "[ . 1 . ]" 3
411 1 24 THR HA 1 27 ASP H 5.000 3.700 5.000 4.973 4.740 5.060 0.060 12 0 "[ . 1 . ]" 3
412 1 24 THR HB 1 27 ASP H 5.000 3.700 5.000 5.248 4.930 5.597 0.597 12 2 "[ . 1-+ . ]" 3
413 1 24 THR MG 1 27 ASP H 5.000 3.700 5.000 3.984 2.636 4.879 1.064 5 3 "[ *+ 1 -. ]" 3
414 1 125 LEU H 1 126 ASP H 5.000 3.700 5.000 4.387 3.631 4.627 0.069 4 0 "[ . 1 . ]" 3
415 1 126 ASP H 1 127 LYS H 5.000 3.700 5.000 4.406 4.068 4.633 . 0 0 "[ . 1 . ]" 3
416 1 125 LEU QD 1 126 ASP H 5.000 3.700 5.000 3.634 3.154 3.963 0.546 7 2 "[ . + 1 -. ]" 3
417 1 125 LEU HG 1 126 ASP H 3.700 2.900 3.700 3.717 2.883 3.933 0.233 4 0 "[ . 1 . ]" 3
418 1 123 LEU H 1 125 LEU H 5.000 3.700 5.000 4.179 3.905 4.774 . 0 0 "[ . 1 . ]" 3
419 1 123 LEU QB 1 125 LEU H 3.700 3.700 3.700 3.501 2.859 4.015 0.841 7 2 "[ . + -1 . ]" 3
420 1 125 LEU H 1 125 LEU HA 3.700 2.900 3.700 3.071 3.029 3.092 . 0 0 "[ . 1 . ]" 3
421 1 124 GLY HA2 1 125 LEU H 3.700 2.900 3.700 2.901 2.813 3.013 0.087 12 0 "[ . 1 . ]" 3
422 1 124 GLY HA3 1 125 LEU H 3.700 2.900 3.700 3.578 3.505 3.699 . 0 0 "[ . 1 . ]" 3
423 1 125 LEU H 1 125 LEU QB 2.900 . 2.900 2.494 2.144 3.087 0.187 12 0 "[ . 1 . ]" 3
424 1 125 LEU H 1 125 LEU HG 5.000 3.700 5.000 4.421 3.520 4.787 0.180 4 0 "[ . 1 . ]" 3
425 1 125 LEU H 1 125 LEU QD 3.700 3.700 3.700 2.957 2.445 3.639 1.255 3 14 "[**+ **** ** **-**]" 3
426 1 120 PHE HA 1 125 LEU H 5.000 3.700 5.000 4.452 3.847 5.049 0.049 4 0 "[ . 1 . ]" 3
427 1 120 PHE QB 1 125 LEU H 5.000 3.700 5.000 4.433 4.058 4.989 . 0 0 "[ . 1 . ]" 3
428 1 60 PHE QD 1 61 LEU H 3.700 2.900 3.700 4.413 4.219 4.654 0.954 11 17 [******-***+******] 3
429 1 60 PHE HA 1 61 LEU H 3.700 3.300 3.700 3.602 3.251 3.678 0.049 15 0 "[ . 1 . ]" 3
430 1 61 LEU H 1 62 THR HB 5.000 3.700 5.000 4.542 4.078 4.749 . 0 0 "[ . 1 . ]" 3
431 1 61 LEU H 1 61 LEU HA 2.900 . 2.900 2.955 2.935 3.018 0.118 5 0 "[ . 1 . ]" 3
432 1 61 LEU H 1 61 LEU QB 2.900 . 2.900 2.439 1.996 3.133 0.233 11 0 "[ . 1 . ]" 3
433 1 79 MET H 1 80 LYS H 3.000 2.600 3.000 2.865 2.737 2.981 . 0 0 "[ . 1 . ]" 3
434 1 79 MET HA 1 80 LYS H 3.700 2.900 3.700 3.617 3.561 3.698 . 0 0 "[ . 1 . ]" 3
435 1 80 LYS H 1 80 LYS HA 2.900 . 2.900 2.898 2.841 2.924 0.024 16 0 "[ . 1 . ]" 3
436 1 80 LYS H 1 80 LYS QD 5.000 3.700 5.000 4.336 3.714 4.795 . 0 0 "[ . 1 . ]" 3
437 1 77 ASN HA 1 80 LYS H 4.500 3.700 4.500 3.857 3.668 4.333 0.032 14 0 "[ . 1 . ]" 3
438 1 145 LEU H 1 146 SER H 5.000 3.700 5.000 4.392 4.242 4.547 . 0 0 "[ . 1 . ]" 3
439 1 145 LEU HA 1 149 GLU QB . 3.700 3.700 3.018 2.673 3.795 1.027 8 15 [**-*.**+******.**] 3
440 1 145 LEU HA 1 146 SER H 2.900 . 2.900 2.222 2.144 2.277 . 0 0 "[ . 1 . ]" 3
441 1 146 SER H 1 149 GLU QG 2.900 . 2.900 3.381 2.855 3.565 0.665 15 12 "[ -**.** *1* **+**]" 3
442 1 114 ASP HA 1 115 GLU H 3.700 3.300 3.700 3.697 3.638 3.721 0.021 5 0 "[ . 1 . ]" 3
443 1 115 GLU H 1 115 GLU HA 3.700 2.900 3.700 2.915 2.881 2.955 0.019 12 0 "[ . 1 . ]" 3
444 1 114 ASP QB 1 115 GLU H 2.900 . 2.900 2.872 2.521 3.314 0.414 1 0 "[ . 1 . ]" 3
445 1 115 GLU H 1 115 GLU QG 2.900 2.900 2.900 2.772 2.358 3.327 0.542 17 5 "[* *. -1 * +]" 3
446 1 35 PHE H 1 35 PHE QD 3.700 2.900 3.700 4.060 2.664 4.300 0.600 7 13 "[* *** +*** *-***]" 3
447 1 35 PHE H 1 35 PHE HA 2.900 . 2.900 2.933 2.890 2.948 0.048 16 0 "[ . 1 . ]" 3
448 1 34 ARG HA 1 35 PHE H 3.700 3.300 3.700 3.646 3.579 3.706 0.006 6 0 "[ . 1 . ]" 3
449 1 32 ALA HA 1 35 PHE H 3.700 2.900 3.700 3.759 3.657 3.815 0.115 13 0 "[ . 1 . ]" 3
450 1 35 PHE H 1 35 PHE HB3 2.900 . 2.900 2.716 2.481 3.107 0.207 6 0 "[ . 1 . ]" 3
451 1 35 PHE H 1 35 PHE HB2 2.900 . 2.900 2.298 1.894 2.419 . 0 0 "[ . 1 . ]" 3
452 1 34 ARG QB 1 35 PHE H 2.900 . 2.900 2.820 2.565 3.062 0.162 17 0 "[ . 1 . ]" 3
453 1 113 ARG H 1 134 PHE QE 5.000 3.700 5.000 3.717 3.443 3.861 0.257 12 0 "[ . 1 . ]" 3
454 1 113 ARG HA 1 134 PHE QE 3.700 2.900 3.700 3.131 2.801 3.355 0.099 8 0 "[ . 1 . ]" 3
455 1 113 ARG HA 1 134 PHE QD 3.700 2.900 3.700 3.087 2.711 3.551 0.189 12 0 "[ . 1 . ]" 3
456 1 113 ARG QG 1 134 PHE QE 3.700 2.900 3.700 4.076 2.852 5.429 1.729 7 9 "[-** . + ** *** ]" 3
457 1 113 ARG HA 1 134 PHE HZ 5.000 3.700 5.000 4.339 3.881 4.843 . 0 0 "[ . 1 . ]" 3
458 1 116 TYR HA 1 118 ILE H 4.600 4.200 4.600 4.608 4.505 4.627 0.027 2 0 "[ . 1 . ]" 3
459 1 118 ILE H 1 118 ILE HA 3.700 2.900 3.700 2.982 2.952 3.013 . 0 0 "[ . 1 . ]" 3
460 1 118 ILE H 1 118 ILE MD 2.900 . 2.900 2.608 2.421 2.748 . 0 0 "[ . 1 . ]" 3
461 1 118 ILE H 1 118 ILE HB 2.900 . 2.900 2.337 2.223 2.592 . 0 0 "[ . 1 . ]" 3
462 1 118 ILE H 1 118 ILE MG 3.700 2.900 3.700 3.803 3.700 3.979 0.279 15 0 "[ . 1 . ]" 3
463 1 88 ALA H 1 89 LYS H 3.000 2.600 3.000 2.729 2.530 3.036 0.070 3 0 "[ . 1 . ]" 3
464 1 85 ASN H 1 88 ALA H 5.000 3.700 5.000 4.952 4.548 5.059 0.059 6 0 "[ . 1 . ]" 3
465 1 88 ALA H 1 88 ALA HA 3.700 2.900 3.700 3.008 2.864 3.073 0.036 6 0 "[ . 1 . ]" 3
466 1 87 GLU HA 1 88 ALA H 3.700 2.900 3.700 3.410 2.873 3.644 0.027 6 0 "[ . 1 . ]" 3
467 1 88 ALA H 1 89 LYS HA 5.000 3.700 5.000 5.019 4.695 5.092 0.092 6 0 "[ . 1 . ]" 3
468 1 87 GLU HB2 1 88 ALA H 3.700 2.900 3.700 3.596 2.875 4.392 0.692 2 1 "[ + . 1 . ]" 3
469 1 87 GLU HB3 1 88 ALA H 5.000 3.700 5.000 3.918 2.890 4.550 0.810 12 2 "[ -. 1 + . ]" 3
470 1 88 ALA H 1 88 ALA MB 2.900 . 2.900 2.312 2.209 2.442 . 0 0 "[ . 1 . ]" 3
471 1 88 ALA H 1 89 LYS QG 3.700 2.900 3.700 3.872 3.556 4.267 0.567 15 2 "[ . 1 -+ ]" 3
472 1 10 THR H 1 11 TYR H 3.000 2.600 3.000 2.908 2.588 3.010 0.012 11 0 "[ . 1 . ]" 3
473 1 11 TYR H 1 157 PHE HZ 2.900 . 2.900 2.846 2.325 2.973 0.073 6 0 "[ . 1 . ]" 3
474 1 11 TYR H 1 11 TYR QD 5.000 3.700 5.000 4.325 4.245 4.380 . 0 0 "[ . 1 . ]" 3
475 1 10 THR HB 1 11 TYR H 2.900 . 2.900 2.607 2.062 4.090 1.190 11 3 "[ -*. 1+ . ]" 3
476 1 11 TYR H 1 11 TYR HA 2.900 . 2.900 2.889 2.828 2.929 0.029 7 0 "[ . 1 . ]" 3
477 1 11 TYR H 1 11 TYR HB3 2.900 . 2.900 2.561 2.417 2.717 . 0 0 "[ . 1 . ]" 3
478 1 10 THR MG 1 11 TYR H 3.700 2.900 3.700 3.642 2.551 3.849 0.349 11 0 "[ . 1 . ]" 3
479 1 151 VAL H 1 152 ILE H 3.000 2.600 3.000 2.877 2.789 3.004 0.004 7 0 "[ . 1 . ]" 3
480 1 152 ILE H 1 153 ALA H 3.000 2.600 3.000 2.897 2.718 2.982 . 0 0 "[ . 1 . ]" 3
481 1 152 ILE H 1 152 ILE HA 2.900 . 2.900 2.924 2.913 2.931 0.031 11 0 "[ . 1 . ]" 3
482 1 151 VAL HB 1 152 ILE H 4.500 3.700 4.500 3.900 3.633 4.119 0.067 2 0 "[ . 1 . ]" 3
483 1 152 ILE H 1 152 ILE HB 2.900 . 2.900 2.378 2.192 2.463 . 0 0 "[ . 1 . ]" 3
484 1 152 ILE H 1 152 ILE QG 2.900 . 2.900 2.592 2.397 3.587 0.687 7 2 "[ - . + 1 . ]" 3
485 1 119 PHE H 1 119 PHE QD 3.700 2.900 3.700 4.148 4.049 4.292 0.592 13 2 "[ . - + . ]" 3
486 1 119 PHE H 1 119 PHE HA 2.900 . 2.900 2.917 2.910 2.927 0.027 5 0 "[ . 1 . ]" 3
487 1 116 TYR HA 1 119 PHE H 3.600 3.200 3.600 3.503 3.373 3.614 0.014 3 0 "[ . 1 . ]" 3
488 1 118 ILE HA 1 119 PHE H 3.700 3.300 3.700 3.609 3.575 3.658 . 0 0 "[ . 1 . ]" 3
489 1 119 PHE H 1 119 PHE QB 2.900 . 2.900 2.172 2.107 2.245 . 0 0 "[ . 1 . ]" 3
490 1 118 ILE HB 1 119 PHE H 3.700 2.900 3.700 3.068 2.951 3.189 . 0 0 "[ . 1 . ]" 3
491 1 118 ILE MD 1 119 PHE H 5.000 3.700 5.000 4.548 4.403 4.613 . 0 0 "[ . 1 . ]" 3
492 1 118 ILE MG 1 119 PHE H 3.700 2.900 3.700 3.067 2.828 3.487 0.072 13 0 "[ . 1 . ]" 3
493 1 39 SER HA 1 40 GLU H 2.900 . 2.900 2.473 2.240 2.908 0.008 4 0 "[ . 1 . ]" 3
494 1 40 GLU H 1 40 GLU HA 3.700 2.900 3.700 2.994 2.770 3.080 0.130 10 0 "[ . 1 . ]" 3
495 1 39 SER QB 1 40 GLU H 3.700 2.900 3.700 2.937 2.179 4.012 0.721 6 5 "[ *+ 1- **. ]" 3
496 1 40 GLU H 1 40 GLU HB2 3.700 2.900 3.700 2.746 2.277 3.691 0.623 9 3 "[ - +1 * . ]" 3
497 1 40 GLU H 1 40 GLU HB3 2.900 . 2.900 3.132 2.522 3.706 0.806 17 5 "[** . - * . +]" 3
498 1 12 PHE HZ 1 72 GLU H 3.700 2.900 3.700 3.260 2.898 3.711 0.011 17 0 "[ . 1 . ]" 3
499 1 71 ASP HA 1 72 GLU H 2.900 . 2.900 2.509 2.394 2.636 . 0 0 "[ . 1 . ]" 3
500 1 72 GLU H 1 72 GLU HB2 2.900 . 2.900 2.539 2.418 2.735 . 0 0 "[ . 1 . ]" 3
501 1 72 GLU H 1 72 GLU HB3 2.900 . 2.900 2.757 2.520 2.916 0.016 2 0 "[ . 1 . ]" 3
502 1 22 ALA HA 1 72 GLU H 5.000 3.700 5.000 4.438 3.700 4.860 . 0 0 "[ . 1 . ]" 3
503 1 150 PHE H 1 150 PHE QD 3.700 2.900 3.700 4.253 4.113 4.362 0.662 11 14 "[-**** ***1+* ****]" 3
504 1 100 PHE QE 1 150 PHE H 5.000 3.700 5.000 4.512 3.612 5.134 0.134 6 0 "[ . 1 . ]" 3
505 1 100 PHE QD 1 150 PHE H 5.000 3.700 5.000 4.896 4.587 5.284 0.284 15 0 "[ . 1 . ]" 3
506 1 150 PHE H 1 150 PHE HA 3.700 2.900 3.700 2.966 2.930 2.998 . 0 0 "[ . 1 . ]" 3
507 1 149 GLU HA 1 150 PHE H 3.700 3.300 3.700 3.560 3.535 3.580 . 0 0 "[ . 1 . ]" 3
508 1 150 PHE H 1 150 PHE HB3 2.900 . 2.900 2.665 2.545 2.776 . 0 0 "[ . 1 . ]" 3
509 1 150 PHE H 1 150 PHE HB2 2.900 . 2.900 2.446 2.303 2.615 . 0 0 "[ . 1 . ]" 3
510 1 147 LEU HA 1 150 PHE H 5.000 3.700 5.000 3.707 3.664 3.782 0.036 8 0 "[ . 1 . ]" 3
511 1 149 GLU QB 1 150 PHE H 2.900 2.900 2.900 2.517 2.393 2.659 0.507 5 1 "[ + 1 . ]" 3
512 1 137 ILE MG 1 150 PHE H 5.000 3.700 5.000 3.668 3.408 3.849 0.292 1 0 "[ . 1 . ]" 3
513 1 147 LEU QD 1 150 PHE H 5.000 3.700 5.000 4.576 4.328 4.661 . 0 0 "[ . 1 . ]" 3
514 1 116 TYR H 1 116 TYR QD 3.700 2.900 3.700 4.257 4.161 4.312 0.612 9 14 "[- ******+* **** *]" 3
515 1 116 TYR H 1 116 TYR HA 3.700 2.900 3.700 2.967 2.941 2.987 . 0 0 "[ . 1 . ]" 3
516 1 116 TYR H 1 116 TYR QB . 2.900 2.900 2.262 2.219 2.331 0.681 15 17 [******-*******+**] 3
517 1 115 GLU QG 1 116 TYR H 3.700 2.900 3.700 4.376 4.133 4.580 0.880 13 15 "[ ****-******+*** ]" 3
518 1 111 ILE MG 1 116 TYR H 3.700 2.900 3.700 2.758 2.563 2.957 0.337 4 0 "[ . 1 . ]" 3
519 1 51 ASP H 1 51 ASP HA 2.900 . 2.900 2.907 2.867 2.926 0.026 13 0 "[ . 1 . ]" 3
520 1 49 LEU HA 1 51 ASP H 5.000 3.700 5.000 4.816 4.654 4.990 . 0 0 "[ . 1 . ]" 3
521 1 51 ASP H 1 51 ASP QB . 2.900 2.900 2.473 2.031 2.716 0.869 3 3 "[ + . - 1 * ]" 3
522 1 50 MET QB 1 51 ASP H 2.900 . 2.900 2.690 2.510 2.867 . 0 0 "[ . 1 . ]" 3
523 1 49 LEU QB 1 51 ASP H 5.000 3.700 5.000 4.927 4.718 5.326 0.326 15 0 "[ . 1 . ]" 3
524 1 47 LYS QB 1 51 ASP H 5.000 3.700 5.000 4.904 4.331 5.421 0.421 17 0 "[ . 1 . ]" 3
525 1 153 ALA H 1 153 ALA HA 2.900 . 2.900 2.911 2.882 2.926 0.026 9 0 "[ . 1 . ]" 3
526 1 149 GLU HA 1 153 ALA H 5.000 3.700 5.000 3.846 3.680 4.068 0.020 11 0 "[ . 1 . ]" 3
527 1 152 ILE HB 1 153 ALA H 2.900 . 2.900 2.646 2.542 2.899 . 0 0 "[ . 1 . ]" 3
528 1 152 ILE QG 1 153 ALA H 5.000 3.700 5.000 4.335 4.257 4.653 . 0 0 "[ . 1 . ]" 3
529 1 153 ALA H 1 153 ALA MB 2.900 . 2.900 2.241 2.149 2.323 . 0 0 "[ . 1 . ]" 3
530 1 152 ILE MG 1 153 ALA H 2.900 . 2.900 3.052 2.917 3.078 0.178 13 0 "[ . 1 . ]" 3
531 1 137 ILE MG 1 153 ALA H 5.000 3.700 5.000 3.591 3.285 4.138 0.415 8 0 "[ . 1 . ]" 3
532 1 43 ALA HA 1 46 ALA H 5.000 3.700 5.000 4.585 3.728 5.061 0.061 10 0 "[ . 1 . ]" 3
533 1 46 ALA H 1 46 ALA HA 2.900 . 2.900 2.929 2.904 2.952 0.052 7 0 "[ . 1 . ]" 3
534 1 46 ALA H 1 48 VAL HB 5.000 3.700 5.000 5.039 4.986 5.061 0.061 4 0 "[ . 1 . ]" 3
535 1 46 ALA H 1 46 ALA MB 2.900 . 2.900 2.321 2.284 2.359 . 0 0 "[ . 1 . ]" 3
536 1 41 MET QG 1 46 ALA H 5.000 3.700 5.000 4.617 3.076 5.851 0.851 1 2 "[+ . 1 -. ]" 3
537 1 173 LEU H 1 173 LEU HA 3.700 2.900 3.700 2.911 2.669 2.973 0.231 2 0 "[ . 1 . ]" 3
538 1 172 PRO HA 1 173 LEU H 2.900 . 2.900 2.252 2.094 2.495 . 0 0 "[ . 1 . ]" 3
539 1 172 PRO QB 1 173 LEU H 3.700 2.900 3.700 3.172 2.663 3.942 0.242 2 0 "[ . 1 . ]" 3
540 1 173 LEU H 1 173 LEU HG 2.900 . 2.900 2.507 1.930 2.765 . 0 0 "[ . 1 . ]" 3
541 1 173 LEU H 1 173 LEU QB 2.900 . 2.900 2.529 2.334 3.214 0.314 2 0 "[ . 1 . ]" 3
542 1 10 THR MG 1 173 LEU H 5.000 3.700 5.000 4.090 3.078 4.805 0.622 2 1 "[ + . 1 . ]" 3
543 1 173 LEU H 1 173 LEU MD2 3.700 2.900 3.700 3.756 3.462 3.887 0.187 15 0 "[ . 1 . ]" 3
544 1 168 VAL QG 1 173 LEU H 3.700 2.900 3.700 3.370 2.461 3.896 0.439 9 0 "[ . 1 . ]" 3
545 1 173 LEU H 1 173 LEU MD1 3.700 2.900 3.700 3.647 2.924 3.901 0.201 2 0 "[ . 1 . ]" 3
546 1 134 PHE HZ 1 145 LEU H 3.700 2.900 3.700 3.203 2.897 3.654 0.003 6 0 "[ . 1 . ]" 3
547 1 144 LEU HA 1 145 LEU H 2.900 . 2.900 2.141 2.011 2.232 . 0 0 "[ . 1 . ]" 3
548 1 145 LEU H 1 145 LEU QB 3.700 2.900 3.700 2.860 2.690 3.006 0.210 16 0 "[ . 1 . ]" 3
549 1 111 ILE H 1 145 LEU QB 3.700 2.900 3.700 3.055 2.872 3.417 0.028 6 0 "[ . 1 . ]" 3
550 1 145 LEU H 1 145 LEU HG 2.900 . 2.900 2.686 2.296 2.922 0.022 5 0 "[ . 1 . ]" 3
551 1 144 LEU QB 1 145 LEU H 3.700 2.900 3.700 3.061 2.380 3.915 0.520 17 1 "[ . 1 . +]" 3
552 1 144 LEU HG 1 145 LEU H 5.000 3.700 5.000 4.344 3.645 4.900 0.055 3 0 "[ . 1 . ]" 3
553 1 144 LEU QD 1 145 LEU H 3.700 2.900 3.700 3.143 2.227 3.614 0.673 9 1 "[ . +1 . ]" 3
554 1 145 LEU H 1 145 LEU QD 3.700 2.900 3.700 3.318 3.087 3.487 . 0 0 "[ . 1 . ]" 3
555 1 91 VAL H 1 92 VAL QG 5.000 3.700 5.000 3.453 2.934 4.000 0.766 3 3 "[ + . 1 -. *]" 3
556 1 10 THR HA 1 174 VAL H 3.700 2.900 3.700 3.527 3.166 3.745 0.045 16 0 "[ . 1 . ]" 3
557 1 173 LEU HA 1 174 VAL H 2.900 . 2.900 2.146 2.039 2.275 . 0 0 "[ . 1 . ]" 3
558 1 174 VAL H 1 174 VAL HA 2.900 . 2.900 2.802 2.338 3.005 0.105 15 0 "[ . 1 . ]" 3
559 1 174 VAL H 1 174 VAL HB 3.700 2.900 3.700 3.477 2.823 3.737 0.077 15 0 "[ . 1 . ]" 3
560 1 173 LEU QB 1 174 VAL H 3.700 2.900 3.700 3.518 2.516 3.889 0.384 9 0 "[ . 1 . ]" 3
561 1 10 THR MG 1 174 VAL H 3.700 2.900 3.700 2.505 1.950 3.783 0.950 10 8 "[ ** ** + -* . *]" 3
562 1 173 LEU MD2 1 174 VAL H 5.000 3.700 5.000 3.808 3.281 4.669 0.419 2 0 "[ . 1 . ]" 3
563 1 22 ALA H 1 22 ALA HA 3.700 2.900 3.900 3.063 3.035 3.084 . 0 0 "[ . 1 . ]" 3
564 1 21 GLY QA 1 22 ALA H 3.700 2.900 3.700 2.975 2.953 3.011 . 0 0 "[ . 1 . ]" 3
565 1 22 ALA H 1 22 ALA MB 2.900 . 3.200 2.624 2.449 2.757 . 0 0 "[ . 1 . ]" 3
566 1 12 PHE QE 1 22 ALA H 5.000 3.700 5.000 5.227 4.690 5.585 0.585 2 3 "[ + -. 1 *. ]" 3
567 1 12 PHE HZ 1 22 ALA H 5.000 3.700 5.000 4.699 4.177 5.018 0.018 14 0 "[ . 1 . ]" 3
568 1 20 ASP HB3 1 22 ALA H 5.000 3.700 5.000 3.797 3.652 4.762 0.048 16 0 "[ . 1 . ]" 3
569 1 20 ASP HB2 1 22 ALA H 5.000 3.700 5.000 4.812 4.628 4.885 . 0 0 "[ . 1 . ]" 3
570 1 134 PHE H 1 134 PHE QD 5.000 3.700 5.000 4.205 4.165 4.264 . 0 0 "[ . 1 . ]" 3
571 1 133 SER HA 1 134 PHE H 3.700 3.300 3.700 3.563 3.523 3.641 . 0 0 "[ . 1 . ]" 3
572 1 133 SER QB 1 134 PHE H 3.700 2.900 3.700 2.775 2.392 2.927 0.508 2 1 "[ + . 1 . ]" 3
573 1 134 PHE H 1 134 PHE QB 2.900 . 2.900 2.193 2.144 2.251 . 0 0 "[ . 1 . ]" 3
574 1 53 LEU HA 1 56 VAL H 3.600 3.200 3.600 3.529 3.283 3.664 0.064 10 0 "[ . 1 . ]" 3
575 1 56 VAL H 1 56 VAL HA 2.900 . 2.900 2.906 2.837 2.936 0.036 4 0 "[ . 1 . ]" 3
576 1 54 THR HA 1 56 VAL H 5.000 3.700 5.000 4.414 4.069 4.692 . 0 0 "[ . 1 . ]" 3
577 1 56 VAL H 1 56 VAL QG 3.700 2.900 3.700 2.353 2.146 2.518 0.754 7 10 "[ - .*+ *** *** *]" 3
578 1 56 VAL H 1 98 LEU QD 3.700 2.900 3.700 3.091 2.505 4.244 0.544 13 1 "[ . 1 + . ]" 3
579 1 46 ALA HA 1 49 LEU H 3.600 3.200 3.600 3.647 3.593 3.688 0.088 5 0 "[ . 1 . ]" 3
580 1 49 LEU H 1 49 LEU HA 2.900 . 2.900 2.915 2.901 2.957 0.057 9 0 "[ . 1 . ]" 3
581 1 48 VAL QG 1 49 LEU H 3.700 2.900 3.700 2.655 2.175 3.373 0.725 4 10 "[ **+-* * 1** .**]" 3
582 1 75 PHE H 1 75 PHE QD 3.700 2.900 3.700 4.315 4.241 4.389 0.689 15 17 [*****-********+**] 3
583 1 74 THR HB 1 75 PHE H 2.900 . 2.900 3.723 3.652 3.791 0.891 14 17 [***********-*+***] 3
584 1 75 PHE H 1 75 PHE HA 2.900 . 2.900 2.928 2.904 2.947 0.047 15 0 "[ . 1 . ]" 3
585 1 75 PHE H 1 75 PHE HB2 2.900 . 2.900 2.554 2.429 2.672 . 0 0 "[ . 1 . ]" 3
586 1 75 PHE H 1 75 PHE HB3 2.900 . 2.900 2.662 2.515 2.808 . 0 0 "[ . 1 . ]" 3
587 1 70 ILE MG 1 75 PHE H 2.900 . 2.900 2.601 2.383 2.890 . 0 0 "[ . 1 . ]" 3
588 1 74 THR MG 1 75 PHE H 5.000 3.700 5.000 4.180 4.058 4.251 . 0 0 "[ . 1 . ]" 3
589 1 7 LYS H 1 8 MET H 3.000 2.600 3.000 2.856 2.636 3.006 0.006 16 0 "[ . 1 . ]" 3
590 1 6 GLN H 1 7 LYS H 3.000 2.600 3.000 2.961 2.826 3.028 0.028 12 0 "[ . 1 . ]" 3
591 1 4 TRP HA 1 7 LYS H 3.600 3.200 3.600 3.567 3.184 3.661 0.061 1 0 "[ . 1 . ]" 3
592 1 6 GLN HB2 1 7 LYS H 3.700 2.900 3.700 3.046 2.712 4.015 0.315 11 0 "[ . 1 . ]" 3
593 1 23 ILE H 1 70 ILE H 2.900 . 2.900 2.713 2.365 2.927 0.027 4 0 "[ . 1 . ]" 3
594 1 70 ILE H 1 70 ILE HB 2.900 . 2.900 2.611 2.407 2.758 . 0 0 "[ . 1 . ]" 3
595 1 70 ILE H 1 70 ILE MG 3.700 2.900 3.700 3.922 3.811 4.001 0.301 6 0 "[ . 1 . ]" 3
596 1 23 ILE MG 1 70 ILE H 5.000 3.700 5.000 4.410 3.671 4.857 0.029 14 0 "[ . 1 . ]" 3
597 1 23 ILE QG 1 70 ILE H 5.000 3.700 5.000 4.489 3.880 5.459 0.459 2 0 "[ . 1 . ]" 3
598 1 23 ILE HB 1 70 ILE H 3.700 2.900 3.700 3.463 3.019 3.735 0.035 14 0 "[ . 1 . ]" 3
599 1 22 ALA MB 1 70 ILE H 3.700 2.900 3.700 3.010 2.540 3.436 0.360 1 0 "[ . 1 . ]" 3
600 1 22 ALA HA 1 70 ILE H 5.000 3.700 5.000 3.987 3.683 4.203 0.017 11 0 "[ . 1 . ]" 3
601 1 57 TRP HH2 1 70 ILE H 5.000 3.700 5.000 4.002 3.677 4.623 0.023 12 0 "[ . 1 . ]" 3
602 1 57 TRP HZ3 1 70 ILE H 5.000 3.700 5.000 4.149 3.697 5.028 0.028 9 0 "[ . 1 . ]" 3
603 1 169 PHE QD 1 170 TRP HE1 2.900 . 2.900 2.891 2.329 3.489 0.589 5 1 "[ + 1 . ]" 3
604 1 11 TYR QD 1 170 TRP HE1 3.700 2.900 3.700 3.838 3.031 4.720 1.020 11 5 "[ ** .* 1+- . ]" 3
605 1 11 TYR QE 1 170 TRP HE1 5.000 3.700 5.000 4.660 4.019 5.211 0.211 3 0 "[ . 1 . ]" 3
606 1 158 PHE HZ 1 170 TRP HE1 3.700 2.900 3.700 3.467 2.893 3.714 0.014 12 0 "[ . 1 . ]" 3
607 1 169 PHE QE 1 170 TRP HE1 5.000 3.700 5.000 3.722 2.891 4.344 0.809 4 1 "[ +. 1 . ]" 3
608 1 157 PHE HZ 1 170 TRP HE1 5.000 3.700 5.000 4.863 4.554 5.041 0.041 11 0 "[ . 1 . ]" 3
609 1 17 PHE QD 1 31 MET H 4.500 3.500 4.500 3.917 3.234 4.662 0.266 10 0 "[ . 1 . ]" 3
610 1 30 SER HA 1 31 MET H 3.700 3.300 3.700 3.640 3.597 3.691 . 0 0 "[ . 1 . ]" 3
611 1 30 SER QB 1 31 MET H 2.900 . 2.900 2.472 2.274 2.582 . 0 0 "[ . 1 . ]" 3
612 1 31 MET H 1 31 MET HA 2.900 . 2.900 2.908 2.891 2.930 0.030 7 0 "[ . 1 . ]" 3
613 1 31 MET H 1 31 MET QB . 2.900 2.900 2.295 2.137 2.633 0.763 2 13 "[*+-*** **1** ** *]" 3
614 1 31 MET H 1 32 ALA MB 5.000 3.700 5.000 4.606 4.385 4.700 . 0 0 "[ . 1 . ]" 3
615 1 31 MET H 1 53 LEU QD 5.000 3.700 5.000 4.468 4.002 4.702 . 0 0 "[ . 1 . ]" 3
616 1 122 MET H 1 122 MET HA 2.900 . 2.900 2.927 2.911 2.937 0.037 7 0 "[ . 1 . ]" 3
617 1 121 GLY QA 1 122 MET H 3.700 2.900 3.700 2.708 2.666 2.732 0.234 10 0 "[ . 1 . ]" 3
618 1 121 GLY H 1 122 MET H 2.900 . 2.900 2.904 2.845 2.932 0.032 2 0 "[ . 1 . ]" 3
619 1 122 MET H 1 122 MET QG 2.900 . 2.900 2.874 2.461 4.154 1.254 17 3 "[ - 1 * +]" 3
620 1 122 MET H 1 122 MET QB 2.900 . 2.900 2.419 2.142 2.565 . 0 0 "[ . 1 . ]" 3
621 1 120 PHE HA 1 122 MET H 5.000 3.700 5.000 4.619 4.463 4.844 . 0 0 "[ . 1 . ]" 3
622 1 122 MET H 1 123 LEU QB 5.000 3.700 5.000 4.845 4.180 5.020 0.020 10 0 "[ . 1 . ]" 3
623 1 100 PHE QE 1 147 LEU H 3.700 2.900 3.700 3.852 3.426 4.158 0.458 12 0 "[ . 1 . ]" 3
624 1 100 PHE HZ 1 147 LEU H 3.700 2.900 3.700 3.537 3.172 3.717 0.017 6 0 "[ . 1 . ]" 3
625 1 146 SER HA 1 147 LEU H 2.900 . 2.900 2.559 2.450 2.764 . 0 0 "[ . 1 . ]" 3
626 1 147 LEU H 1 147 LEU HA 3.700 2.900 3.700 2.925 2.889 2.981 0.011 6 0 "[ . 1 . ]" 3
627 1 147 LEU H 1 147 LEU QB 2.900 . 2.900 2.356 2.281 2.484 . 0 0 "[ . 1 . ]" 3
628 1 147 LEU H 1 147 LEU QD . 3.700 4.500 3.902 3.839 4.005 . 0 0 "[ . 1 . ]" 3
629 1 147 LEU H 1 147 LEU HG 5.000 3.700 5.000 4.687 4.582 4.791 . 0 0 "[ . 1 . ]" 3
630 1 147 LEU HA 1 147 LEU HG 3.700 2.900 3.700 3.366 3.177 3.727 0.027 9 0 "[ . 1 . ]" 3
631 1 112 SER H 1 112 SER HA 3.700 2.900 3.700 3.019 3.005 3.036 . 0 0 "[ . 1 . ]" 3
632 1 111 ILE HA 1 112 SER H 2.900 . 2.900 2.227 2.121 2.336 . 0 0 "[ . 1 . ]" 3
633 1 112 SER H 1 115 GLU QG . 3.700 3.700 3.285 2.856 3.678 0.844 3 7 "[ + * * 1* *-. *]" 3
634 1 111 ILE MG 1 112 SER H 3.700 2.900 3.700 3.020 2.779 3.379 0.121 1 0 "[ . 1 . ]" 3
635 1 71 ASP H 1 71 ASP HA 3.700 2.900 3.700 2.974 2.900 3.033 0.000 12 0 "[ . 1 . ]" 3
636 1 70 ILE HA 1 71 ASP H 2.900 . 2.900 2.177 2.069 2.257 . 0 0 "[ . 1 . ]" 3
637 1 71 ASP H 1 71 ASP QB 2.900 2.900 2.900 2.543 2.140 2.703 0.760 13 3 "[ .* - 1 + . ]" 3
638 1 70 ILE HB 1 71 ASP H 5.000 3.700 5.000 4.350 4.298 4.399 . 0 0 "[ . 1 . ]" 3
639 1 70 ILE MG 1 71 ASP H 2.900 . 2.900 3.109 3.058 3.153 0.253 14 0 "[ . 1 . ]" 3
640 1 12 PHE HZ 1 23 ILE H 3.700 2.900 3.700 3.614 3.218 3.757 0.057 17 0 "[ . 1 . ]" 3
641 1 12 PHE QE 1 23 ILE H 5.000 3.700 5.000 3.304 2.889 3.619 0.811 8 6 "[*-* * + * . ]" 3
642 1 22 ALA HA 1 23 ILE H 2.900 . 2.900 2.206 2.118 2.288 . 0 0 "[ . 1 . ]" 3
643 1 23 ILE H 1 70 ILE HA 5.000 3.700 5.000 4.523 4.328 4.789 . 0 0 "[ . 1 . ]" 3
644 1 23 ILE H 1 70 ILE HB 2.900 . 2.900 2.937 2.808 2.999 0.099 5 0 "[ . 1 . ]" 3
645 1 23 ILE H 1 23 ILE HB 2.900 . 2.900 2.694 2.132 2.909 0.009 7 0 "[ . 1 . ]" 3
646 1 22 ALA MB 1 23 ILE H 2.900 . 2.900 3.113 2.825 3.211 0.311 3 0 "[ . 1 . ]" 3
647 1 23 ILE H 1 23 ILE MG 3.700 2.900 3.700 3.920 3.591 4.006 0.306 10 0 "[ . 1 . ]" 3
648 1 23 ILE H 1 70 ILE MG 5.000 3.700 5.000 4.044 3.809 4.244 . 0 0 "[ . 1 . ]" 3
649 1 23 ILE H 1 23 ILE MD 3.700 2.900 3.700 3.060 2.793 3.919 0.219 3 0 "[ . 1 . ]" 3
650 1 169 PHE H 1 169 PHE QD 3.700 2.900 3.700 4.069 3.761 4.353 0.653 10 6 "[ *.*-**+ . ]" 3
651 1 169 PHE H 1 169 PHE QB . 2.900 2.900 2.282 2.137 2.461 0.763 7 15 "[** *.*+****-*****]" 3
652 1 168 VAL HB 1 169 PHE H 5.000 3.700 5.000 4.133 3.760 4.478 . 0 0 "[ . 1 . ]" 3
653 1 166 ASN HA 1 169 PHE H 3.700 2.900 3.700 3.712 3.359 3.794 0.094 7 0 "[ . 1 . ]" 3
654 1 166 ASN QB 1 169 PHE H 5.000 3.700 5.000 4.574 4.043 5.426 0.426 11 0 "[ . 1 . ]" 3
655 1 166 ASN QD 1 169 PHE H 5.000 3.700 5.000 4.836 4.157 4.971 . 0 0 "[ . 1 . ]" 3
656 1 168 VAL HA 1 169 PHE H 3.700 2.900 3.700 3.083 2.889 3.494 0.011 1 0 "[ . 1 . ]" 3
657 1 168 VAL QG 1 169 PHE H 3.700 2.900 3.700 3.391 2.995 3.650 . 0 0 "[ . 1 . ]" 3
658 1 167 LYS HA 1 169 PHE H 3.700 2.900 3.700 3.838 3.592 4.037 0.337 1 0 "[ . 1 . ]" 3
659 1 168 VAL H 1 169 PHE H 2.900 . 2.900 2.626 2.151 3.105 0.205 6 0 "[ . 1 . ]" 3
660 1 16 ASP HA 1 17 PHE H 2.900 . 2.900 2.505 2.415 2.671 . 0 0 "[ . 1 . ]" 3
661 1 15 ILE HA 1 17 PHE H 5.000 3.700 5.000 3.922 3.681 4.076 0.019 1 0 "[ . 1 . ]" 3
662 1 17 PHE H 1 27 ASP HA 5.000 3.700 5.000 4.322 3.712 5.026 0.026 4 0 "[ . 1 . ]" 3
663 1 16 ASP HB3 1 17 PHE H 5.000 3.700 5.000 4.448 4.406 4.554 . 0 0 "[ . 1 . ]" 3
664 1 16 ASP HB2 1 17 PHE H 5.000 3.700 5.000 4.639 4.587 4.725 . 0 0 "[ . 1 . ]" 3
665 1 17 PHE H 1 23 ILE MD 5.000 3.700 5.000 4.213 3.484 4.877 0.216 3 0 "[ . 1 . ]" 3
666 1 15 ILE MG 1 17 PHE H 5.000 3.700 5.000 4.516 4.077 4.772 . 0 0 "[ . 1 . ]" 3
667 1 160 ASN HA 1 161 ASP H 2.900 . 2.900 2.224 2.043 2.915 0.015 14 0 "[ . 1 . ]" 3
668 1 161 ASP H 1 161 ASP QB 2.900 . 2.900 2.549 2.150 3.432 0.532 14 1 "[ . 1 +. ]" 3
669 1 10 THR H 1 10 THR HA 2.900 . 2.900 2.887 2.864 2.916 0.016 3 0 "[ . 1 . ]" 3
670 1 10 THR H 1 10 THR HB 2.900 . 2.900 3.407 3.189 3.933 1.033 6 3 "[ -*.+ 1 . ]" 3
671 1 10 THR H 1 10 THR MG 3.700 2.900 3.700 3.420 2.237 3.809 0.663 11 1 "[ . 1+ . ]" 3
672 1 28 PHE HA 1 29 GLU H 3.700 2.900 3.700 3.615 3.596 3.697 . 0 0 "[ . 1 . ]" 3
673 1 29 GLU H 1 29 GLU HA 2.900 . 2.900 2.930 2.892 2.959 0.059 1 0 "[ . 1 . ]" 3
674 1 28 PHE QB 1 29 GLU H 2.900 2.900 2.900 2.659 2.550 2.840 0.350 7 0 "[ . 1 . ]" 3
675 1 29 GLU H 1 29 GLU QG 2.900 . 2.900 2.545 2.340 3.575 0.675 13 1 "[ . 1 + . ]" 3
676 1 29 GLU H 1 29 GLU HB3 3.700 2.900 3.700 3.676 3.605 3.705 0.005 14 0 "[ . 1 . ]" 3
677 1 29 GLU H 1 29 GLU HB2 2.900 . 2.900 2.480 2.346 2.597 . 0 0 "[ . 1 . ]" 3
678 1 57 TRP HD1 1 62 THR HB 3.700 2.900 3.700 5.245 4.930 5.405 1.705 14 17 [************-+***] 3
679 1 57 TRP HZ2 1 67 GLY QA 3.700 2.900 3.700 2.963 2.030 4.131 0.870 14 6 "[ ***. * 1 - +. ]" 3
680 1 57 TRP HE1 1 62 THR HB 3.700 2.900 3.700 5.205 4.949 5.509 1.809 8 17 [*****-*+*********] 3
681 1 25 ARG QB 1 57 TRP HE1 3.700 3.700 3.700 3.109 2.867 3.385 0.833 3 14 "[ *+** * -********]" 3
682 1 7 LYS H 1 173 LEU MD1 5.200 4.000 5.200 4.938 4.620 5.103 . 0 0 "[ . 1 . ]" 3
683 1 9 LYS H 1 76 ILE MD 5.000 3.700 5.000 3.952 2.952 4.711 0.748 12 1 "[ . 1 + . ]" 3
684 1 71 ASP H 1 74 THR MG 3.700 2.900 3.700 3.330 2.971 3.656 . 0 0 "[ . 1 . ]" 3
685 1 22 ALA MB 1 71 ASP H 5.000 3.700 5.000 3.813 3.352 4.298 0.348 5 0 "[ . 1 . ]" 3
686 1 113 ARG H 1 144 LEU QD 5.000 3.700 5.000 3.780 3.371 4.081 0.329 8 0 "[ . 1 . ]" 3
687 1 111 ILE MG 1 115 GLU H 4.500 3.700 4.500 4.162 4.029 4.278 . 0 0 "[ . 1 . ]" 3
688 1 62 THR HA 1 67 GLY QA 4.500 3.500 4.500 3.852 2.791 4.715 0.709 2 3 "[ +- . 1 * . ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 450
_Distance_constraint_stats_list.Viol_count 3154
_Distance_constraint_stats_list.Viol_total 22301.848
_Distance_constraint_stats_list.Viol_max 2.224
_Distance_constraint_stats_list.Viol_rms 0.3197
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1715
_Distance_constraint_stats_list.Viol_average_violations_only 0.4159
_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 1 SER 8.473 1.103 15 12 "[****.** *-* **+ ]"
1 4 TRP 12.227 1.103 15 12 "[****.** *-* **+ ]"
1 6 GLN 0.342 0.218 11 0 "[ . 1 . ]"
1 7 LYS 0.990 0.372 5 0 "[ . 1 . ]"
1 8 MET 10.121 1.163 15 3 "[ *. 1 + -]"
1 9 LYS 0.578 0.195 17 0 "[ . 1 . ]"
1 10 THR 19.035 1.407 11 14 "[**-*.*** 1+******]"
1 11 TYR 46.603 1.112 13 14 "[***-*** *1 *+****]"
1 12 PHE 72.888 1.128 14 17 [*************+***]
1 13 ASN 17.358 0.951 14 14 "[****.*** ****+* -]"
1 14 ARG 18.860 1.190 17 15 "[*** ** *******-*+]"
1 15 ILE 57.322 1.514 5 15 "[****+** *1*****-*]"
1 16 ASP 11.060 1.421 10 9 "[ *-** * + * .**]"
1 17 PHE 58.477 2.224 11 16 [*********1+******]
1 18 ASP 11.758 1.543 9 10 "[*- .***+1** ** ]"
1 19 LYS 0.025 0.020 3 0 "[ . 1 . ]"
1 21 GLY 10.945 0.864 8 6 "[** -. + 1 * *. ]"
1 22 ALA 4.517 0.598 17 1 "[ . 1 . +]"
1 23 ILE 55.185 1.128 14 15 "[** *******-**+.**]"
1 24 THR 0.122 0.031 11 0 "[ . 1 . ]"
1 25 ARG 17.103 1.871 9 17 [*-******+********]
1 27 ASP 38.635 1.543 9 17 [**-*****+********]
1 28 PHE 75.604 1.871 9 17 [********+********]
1 29 GLU 0.353 0.206 14 0 "[ . 1 . ]"
1 30 SER 45.195 2.224 11 17 [**********+****-*]
1 31 MET 6.676 0.531 13 2 "[ . 1- + . ]"
1 32 ALA 0.374 0.190 9 0 "[ . 1 . ]"
1 34 ARG 0.256 0.079 15 0 "[ . 1 . ]"
1 35 PHE 21.906 1.194 14 13 "[** *** -*****+.* ]"
1 36 ALA 16.006 0.852 5 11 "[ * + **-****.**]"
1 38 GLU 0.269 0.079 15 0 "[ . 1 . ]"
1 39 SER 1.550 0.220 15 0 "[ . 1 . ]"
1 41 MET 31.829 1.776 8 17 [*******+*-*******]
1 42 LYS 1.127 0.148 10 0 "[ . 1 . ]"
1 45 HIS 5.977 1.488 6 4 "[ -*.+ 1 .* ]"
1 46 ALA 1.150 0.403 7 0 "[ . 1 . ]"
1 48 VAL 5.977 1.488 6 4 "[ -*.+ 1 .* ]"
1 49 LEU 6.889 0.485 1 0 "[ . 1 . ]"
1 50 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 52 SER 1.054 0.191 6 0 "[ . 1 . ]"
1 53 LEU 1.080 0.130 4 0 "[ . 1 . ]"
1 54 THR 0.353 0.206 14 0 "[ . 1 . ]"
1 55 GLY 0.672 0.181 9 0 "[ . 1 . ]"
1 56 VAL 47.496 1.547 9 17 [********+***-****]
1 57 TRP 26.297 1.515 5 12 "[ *+ **-*** ****]"
1 58 ASP 21.321 0.926 2 17 [-+***************]
1 59 ASN 2.095 0.503 9 1 "[ . +1 . ]"
1 60 PHE 37.603 1.261 4 15 "[***+*** -1*******]"
1 61 LEU 48.070 1.518 2 16 "[ +******-********]"
1 62 THR 21.514 0.926 2 17 [-+***************]
1 64 VAL 4.669 0.443 17 0 "[ . 1 . ]"
1 65 ALA 1.640 0.238 3 0 "[ . 1 . ]"
1 70 ILE 2.575 0.393 6 0 "[ . 1 . ]"
1 71 ASP 7.478 0.908 15 4 "[ . 1 *+*-]"
1 72 GLU 12.742 1.056 17 6 "[*-* . 1 ** +]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 74 THR 0.722 0.393 6 0 "[ . 1 . ]"
1 75 PHE 67.374 1.518 2 17 [*+*-*************]
1 76 ILE 8.428 0.688 12 8 "[ * -* * 1 + ** *]"
1 77 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 78 SER 3.716 0.443 17 0 "[ . 1 . ]"
1 79 MET 12.207 1.270 6 2 "[ .+ - . ]"
1 81 GLU 0.010 0.006 9 0 "[ . 1 . ]"
1 82 MET 0.806 0.216 15 0 "[ . 1 . ]"
1 83 VAL 0.981 0.216 15 0 "[ . 1 . ]"
1 84 LYS 0.010 0.006 9 0 "[ . 1 . ]"
1 85 ASN 2.710 0.213 17 0 "[ . 1 . ]"
1 86 PRO 0.220 0.118 3 0 "[ . 1 . ]"
1 87 GLU 2.227 0.185 13 0 "[ . 1 . ]"
1 88 ALA 6.147 1.035 5 2 "[ - + 1 . ]"
1 89 LYS 2.509 0.416 15 0 "[ . 1 . ]"
1 91 VAL 18.624 1.160 5 8 "[* **+ * -1* * . ]"
1 92 VAL 15.996 0.884 14 17 [**-**********+***]
1 93 GLU 9.281 0.834 4 5 "[*- +. * .* ]"
1 94 GLY 5.887 0.414 2 0 "[ . 1 . ]"
1 95 PRO 14.750 1.261 4 9 "[ * +* * *1* **. -]"
1 96 LEU 65.502 1.644 10 17 [*-*******+*******]
1 97 PRO 7.204 0.968 3 6 "[- + . *** . *]"
1 98 LEU 10.151 0.990 10 7 "[ * *. + *- .**]"
1 99 PHE 13.717 1.093 5 5 "[* + *1 * . -]"
1 100 PHE 81.484 1.339 15 17 [*-************+**]
1 102 ALA 0.417 0.252 14 0 "[ . 1 . ]"
1 103 VAL 14.856 1.004 6 16 [*****+***1****-**]
1 104 ASP 0.029 0.029 7 0 "[ . 1 . ]"
1 105 THR 23.029 1.776 8 17 [******-+*********]
1 106 ASN 1.206 0.148 10 0 "[ . 1 . ]"
1 109 ASN 2.921 0.927 10 2 "[ - + . ]"
1 110 ASN 11.709 1.283 9 13 "[** *.-**+1***** *]"
1 111 ILE 28.360 0.975 5 15 "[ ***+-** ********]"
1 112 SER 7.983 0.836 1 5 "[+ * . 1-* .* ]"
1 113 ARG 6.228 0.732 15 7 "[*-* . * ** + ]"
1 116 TYR 68.437 1.537 10 17 [*******-*+*******]
1 118 ILE 1.494 0.220 15 0 "[ . 1 . ]"
1 119 PHE 56.411 1.537 10 17 [*********+****-**]
1 120 PHE 57.187 1.556 14 17 [*************+-**]
1 121 GLY 0.636 0.399 6 0 "[ . 1 . ]"
1 122 MET 21.192 1.194 14 13 "[** *** -*****+.* ]"
1 123 LEU 115.782 1.546 14 17 [*************+***]
1 124 GLY 0.090 0.029 13 0 "[ . 1 . ]"
1 125 LEU 45.889 1.422 7 17 [***-**+**********]
1 127 LYS 2.744 1.038 5 2 "[ - + 1 . ]"
1 129 MET 26.291 1.556 14 15 "[*********- **+** ]"
1 130 ALA 11.961 0.611 3 4 "[ + *- 1* . ]"
1 133 SER 16.499 0.859 3 16 "[**+********* *-**]"
1 134 PHE 42.160 0.876 17 17 [*******-********+]
1 135 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 136 ALA 13.776 1.742 5 11 "[**-*+** *1 * * *]"
1 137 ILE 112.859 1.651 4 17 [*-*+*************]
1 138 ASP 4.028 0.524 3 1 "[ + . 1 . ]"
1 140 ASN 0.132 0.114 8 0 "[ . 1 . ]"
1 141 ASN 1.851 0.198 10 0 "[ . 1 . ]"
1 142 ASP 4.134 0.713 7 4 "[ * +* 1 - ]"
1 143 GLY 3.163 0.742 2 1 "[ + . 1 . ]"
1 144 LEU 9.186 0.742 2 5 "[ + * ** 1 - ]"
1 145 LEU 81.040 1.651 4 17 [**-+*************]
1 146 SER 13.376 1.123 4 15 "[-**+*****1***** *]"
1 147 LEU 46.494 1.339 15 17 [***********-**+**]
1 149 GLU 15.107 0.995 10 17 [*********+****-**]
1 150 PHE 97.053 1.252 2 17 [*+***************]
1 151 VAL 22.472 1.268 8 15 "[* **** +***-*****]"
1 152 ILE 7.293 0.698 8 3 "[ * . + 1 - ]"
1 153 ALA 19.523 0.978 12 16 [******-****+**.**]
1 154 GLY 11.891 1.292 10 6 "[ -*. ** + * ]"
1 155 SER 0.031 0.024 3 0 "[ . 1 . ]"
1 156 ASP 0.106 0.027 14 0 "[ . 1 . ]"
1 157 PHE 13.693 1.407 11 4 "[ **.* 1+ . ]"
1 158 PHE 19.984 0.884 14 9 "[*-**.* * *+.* ]"
1 160 ASN 0.106 0.027 14 0 "[ . 1 . ]"
1 161 ASP 0.236 0.057 12 0 "[ . 1 . ]"
1 165 THR 13.776 1.742 5 11 "[**-*+** *1 * * *]"
1 166 ASN 12.937 1.545 7 6 "[* -*+ ** . ]"
1 167 LYS 4.005 0.769 11 2 "[ - 1+ . ]"
1 168 VAL 4.042 0.709 16 2 "[ .- 1 .+ ]"
1 169 PHE 77.220 1.608 6 15 "[* ***+***-***** *]"
1 170 TRP 35.065 1.546 14 16 [*************+.**]
1 173 LEU 7.859 0.661 11 1 "[ . 1+ . ]"
1 174 VAL 18.420 0.901 12 13 "[****. ** 1*+****-]"
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 1 116 TYR QE 1 120 PHE QE 3.700 2.900 3.700 3.108 2.930 3.421 . 0 0 "[ . 1 . ]" 4
2 1 116 TYR QE 1 150 PHE QD 5.000 3.700 5.000 4.295 3.502 5.135 0.198 2 0 "[ . 1 . ]" 4
3 1 116 TYR QE 1 150 PHE QE 5.000 3.700 5.000 2.928 2.448 3.382 1.252 2 15 "[*+*** -***** ****]" 4
4 1 116 TYR QE 1 150 PHE HZ 5.000 3.700 5.000 4.747 4.217 4.915 . 0 0 "[ . 1 . ]" 4
5 1 150 PHE HZ 1 169 PHE HZ 3.700 2.900 3.700 3.639 3.437 3.717 0.017 5 0 "[ . 1 . ]" 4
6 1 150 PHE QD 1 169 PHE HZ 2.900 . 2.900 3.241 2.997 3.530 0.630 10 1 "[ . + . ]" 4
7 1 150 PHE QE 1 169 PHE HZ 2.900 . 2.900 3.198 3.068 3.300 0.400 10 0 "[ . 1 . ]" 4
8 1 100 PHE QB 1 150 PHE QE . 3.700 3.700 3.151 2.692 3.680 1.008 5 8 "[ - *+* * 1 ** * ]" 4
9 1 100 PHE QE 1 110 ASN HA 2.900 . 2.900 3.561 3.255 4.183 1.283 9 13 "[** *.-**+1***** *]" 4
10 1 100 PHE HZ 1 110 ASN HA 2.900 . 2.900 2.328 2.072 2.943 0.043 9 0 "[ . 1 . ]" 4
11 1 12 PHE QE 1 22 ALA HA 3.700 2.900 3.700 3.756 3.372 4.033 0.333 15 0 "[ . 1 . ]" 4
12 1 12 PHE HZ 1 22 ALA HA 2.900 . 2.900 2.796 2.474 2.946 0.046 15 0 "[ . 1 . ]" 4
13 1 12 PHE HZ 1 22 ALA MB 5.000 3.700 5.000 4.352 4.027 4.530 . 0 0 "[ . 1 . ]" 4
14 1 11 TYR QE 1 170 TRP HH2 3.700 2.900 3.700 3.398 2.974 3.632 . 0 0 "[ . 1 . ]" 4
15 1 11 TYR QD 1 170 TRP HH2 5.000 3.700 5.000 4.404 3.694 4.814 0.006 3 0 "[ . 1 . ]" 4
16 1 169 PHE QE 1 170 TRP HZ2 3.700 2.900 3.700 3.795 3.171 4.416 0.716 7 3 "[ * + - . ]" 4
17 1 11 TYR QD 1 158 PHE HZ 4.500 3.700 4.500 3.634 2.853 4.596 0.847 4 2 "[ +.- 1 . ]" 4
18 1 11 TYR QD 1 158 PHE QE 2.900 . 2.900 3.101 2.293 3.496 0.596 13 2 "[ -. 1 + . ]" 4
19 1 11 TYR QD 1 75 PHE QE 2.900 . 2.900 3.252 2.777 3.685 0.785 6 7 "[ - *+ 1 * ** *]" 4
20 1 11 TYR QD 1 75 PHE QD 5.000 3.700 5.000 5.070 4.191 5.595 0.595 15 3 "[ .* 1 - + ]" 4
21 1 11 TYR QD 1 157 PHE HZ 5.000 3.700 5.000 4.693 4.130 5.215 0.215 3 0 "[ . 1 . ]" 4
22 1 99 PHE QB 1 150 PHE HZ 2.900 2.900 2.900 2.927 2.455 3.202 0.445 1 0 "[ . 1 . ]" 4
23 1 100 PHE QE 1 109 ASN HA 2.900 . 2.900 2.811 2.205 3.827 0.927 10 2 "[ - + . ]" 4
24 1 11 TYR QE 1 75 PHE QE 3.700 2.900 3.700 3.283 2.720 3.861 0.180 16 0 "[ . 1 . ]" 4
25 1 11 TYR QE 1 75 PHE HZ 2.900 . 2.900 3.022 2.648 3.411 0.511 6 2 "[ -.+ 1 . ]" 4
26 1 145 LEU MD1 1 145 LEU MD2 2.900 . 2.900 2.172 2.157 2.195 . 0 0 "[ . 1 . ]" 4
27 1 137 ILE MD 1 145 LEU QD . 3.700 3.700 2.288 2.049 2.712 1.651 4 17 [***+**-**********] 4
28 1 137 ILE MG 1 145 LEU QD 2.900 2.900 2.900 1.939 1.851 2.021 1.049 11 17 [**********+***-**] 4
29 1 111 ILE HB 1 145 LEU HG 3.700 2.900 3.700 3.429 3.147 3.700 . 0 0 "[ . 1 . ]" 4
30 1 137 ILE HB 1 145 LEU QD 2.900 2.900 2.900 2.099 2.017 2.259 0.883 5 17 [****+*-**********] 4
31 1 134 PHE QB 1 145 LEU QD 5.000 3.700 5.000 3.594 3.338 3.839 0.362 1 0 "[ . 1 . ]" 4
32 1 103 VAL QG 1 111 ILE MD 2.900 . 2.900 2.144 1.686 2.357 0.114 6 0 "[ . 1 . ]" 4
33 1 111 ILE MD 1 111 ILE MG 2.900 . 2.900 2.131 2.039 2.193 . 0 0 "[ . 1 . ]" 4
34 1 103 VAL HB 1 111 ILE MD 2.900 . 2.900 2.293 2.094 3.387 0.487 6 0 "[ . 1 . ]" 4
35 1 111 ILE HB 1 111 ILE MD 2.900 . 2.900 2.447 2.343 2.823 . 0 0 "[ . 1 . ]" 4
36 1 15 ILE MG 1 23 ILE MD 2.900 . 2.900 2.096 1.957 2.538 . 0 0 "[ . 1 . ]" 4
37 1 23 ILE HB 1 23 ILE MD 2.900 . 2.900 3.245 2.641 3.334 0.434 12 0 "[ . 1 . ]" 4
38 1 16 ASP HA 1 23 ILE MD 2.900 . 2.900 2.429 1.947 3.112 0.212 7 0 "[ . 1 . ]" 4
39 1 23 ILE HA 1 23 ILE MD 2.900 . 2.900 2.381 2.081 2.541 . 0 0 "[ . 1 . ]" 4
40 1 145 LEU HA 1 145 LEU QD 2.900 . 2.900 2.457 2.296 2.608 . 0 0 "[ . 1 . ]" 4
41 1 100 PHE QD 1 111 ILE MD 2.900 . 2.900 2.450 2.194 3.062 0.162 11 0 "[ . 1 . ]" 4
42 1 100 PHE QE 1 111 ILE MD 3.700 2.900 3.700 2.712 2.414 3.527 0.486 17 0 "[ . 1 . ]" 4
43 1 111 ILE MD 1 116 TYR QD 3.700 2.900 3.700 3.662 3.447 3.944 0.244 6 0 "[ . 1 . ]" 4
44 1 111 ILE MG 1 116 TYR QD 2.900 . 2.900 2.710 2.244 3.122 0.222 6 0 "[ . 1 . ]" 4
45 1 100 PHE HZ 1 111 ILE MD 5.000 3.700 5.000 4.212 3.507 4.939 0.193 11 0 "[ . 1 . ]" 4
46 1 12 PHE QD 1 23 ILE MD 5.000 3.700 5.000 3.199 2.911 3.913 0.789 7 12 "[* **+* ****-.**]" 4
47 1 134 PHE HZ 1 144 LEU HA 2.900 . 2.900 2.387 2.112 2.786 . 0 0 "[ . 1 . ]" 4
48 1 138 ASP HA 1 145 LEU QD 3.700 2.900 3.700 2.701 2.376 3.076 0.524 3 1 "[ + . 1 . ]" 4
49 1 134 PHE QD 1 145 LEU QD 2.900 . 2.900 2.650 2.384 2.800 . 0 0 "[ . 1 . ]" 4
50 1 134 PHE QE 1 145 LEU QD 2.900 . 2.900 2.691 2.548 2.850 . 0 0 "[ . 1 . ]" 4
51 1 134 PHE QE 1 145 LEU HG 2.900 . 2.900 2.450 2.167 2.836 . 0 0 "[ . 1 . ]" 4
52 1 134 PHE HZ 1 145 LEU QD 5.000 3.700 5.000 3.066 2.824 3.305 0.876 17 14 "[ -***** ******* +]" 4
53 1 134 PHE HZ 1 144 LEU QD 5.000 3.700 5.000 3.685 3.388 3.935 0.312 1 0 "[ . 1 . ]" 4
54 1 111 ILE MD 1 150 PHE QE 5.000 3.700 5.000 3.044 2.725 3.956 0.975 5 14 "[ ***+ *- ********]" 4
55 1 23 ILE MD 1 28 PHE QE 5.000 3.700 5.000 4.822 3.418 5.332 0.332 14 0 "[ . 1 . ]" 4
56 1 113 ARG HA 1 113 ARG QG 2.900 . 2.900 2.936 2.250 3.632 0.732 15 7 "[*-* . * ** + ]" 4
57 1 123 LEU QB 1 125 LEU QD . 2.900 2.900 2.166 1.844 2.617 1.056 6 13 "[*** *+ * 1****-**]" 4
58 1 123 LEU HG 1 125 LEU QD 5.000 3.700 5.000 3.309 2.278 4.067 1.422 7 9 "[* *.*+ *1**- . *]" 4
59 1 125 LEU HA 1 125 LEU QD 3.700 2.900 3.700 2.447 2.121 3.172 0.779 9 9 "[ -* * +1* **** ]" 4
60 1 120 PHE QE 1 125 LEU QD 3.700 2.900 3.700 3.519 2.974 4.380 0.680 14 1 "[ . 1 +. ]" 4
61 1 120 PHE QD 1 125 LEU QD 3.700 2.900 3.700 2.950 2.522 4.078 0.378 7 0 "[ . 1 . ]" 4
62 1 125 LEU QD 1 170 TRP QB 5.000 3.700 5.000 4.215 3.213 5.798 0.798 7 1 "[ . + 1 . ]" 4
63 1 123 LEU QB 1 123 LEU QD 2.900 . 2.900 2.062 1.947 2.236 . 0 0 "[ . 1 . ]" 4
64 1 119 PHE QE 1 123 LEU HG 3.700 2.900 3.700 4.529 3.836 5.126 1.426 7 11 "[* *-*+ ***** . *]" 4
65 1 119 PHE QD 1 123 LEU HG 5.000 3.700 5.000 4.634 3.262 5.730 0.730 7 3 "[- . + * . ]" 4
66 1 14 ARG QD 1 123 LEU QD 5.000 3.700 5.000 3.348 2.510 4.347 1.190 17 6 "[*- . 1* *.*+]" 4
67 1 123 LEU QD 1 170 TRP HA 5.000 3.700 5.000 4.037 3.132 4.931 0.568 14 3 "[ * . 1 +.- ]" 4
68 1 123 LEU QD 1 170 TRP HE3 3.700 3.700 3.700 2.697 2.154 3.240 1.546 14 16 [******-******+.**] 4
69 1 120 PHE HA 1 123 LEU QD 2.900 . 2.900 2.371 1.869 2.866 . 0 0 "[ . 1 . ]" 4
70 1 111 ILE HG12 1 111 ILE MG 2.900 . 2.900 2.407 2.338 2.568 . 0 0 "[ . 1 . ]" 4
71 1 145 LEU QB 1 145 LEU QD 2.900 . 2.900 2.007 1.987 2.031 . 0 0 "[ . 1 . ]" 4
72 1 147 LEU MD1 1 147 LEU MD2 2.900 . 2.900 2.186 2.144 2.323 . 0 0 "[ . 1 . ]" 4
73 1 147 LEU QB 1 147 LEU QD 2.900 . 2.900 2.047 2.019 2.131 . 0 0 "[ . 1 . ]" 4
74 1 147 LEU HA 1 147 LEU QD 2.900 . 2.900 2.173 2.115 2.222 . 0 0 "[ . 1 . ]" 4
75 1 100 PHE QD 1 147 LEU QD 3.700 3.700 3.700 2.598 2.361 2.909 1.339 15 17 [**************+-*] 4
76 1 147 LEU QD 1 150 PHE HB3 3.700 2.900 3.700 3.169 3.048 3.282 . 0 0 "[ . 1 . ]" 4
77 1 147 LEU QD 1 150 PHE HB2 5.000 3.700 5.000 4.476 4.332 4.657 . 0 0 "[ . 1 . ]" 4
78 1 100 PHE QB 1 147 LEU QD 2.900 . 2.900 2.490 2.296 2.966 0.066 6 0 "[ . 1 . ]" 4
79 1 100 PHE QD 1 147 LEU HA 3.700 2.900 3.700 3.574 3.063 3.930 0.230 8 0 "[ . 1 . ]" 4
80 1 100 PHE QE 1 147 LEU HA 3.700 2.900 3.700 3.427 2.545 3.774 0.355 11 0 "[ . 1 . ]" 4
81 1 100 PHE HZ 1 147 LEU HA 5.000 3.700 5.000 3.989 3.676 4.470 0.024 8 0 "[ . 1 . ]" 4
82 1 137 ILE MD 1 137 ILE MG 2.900 . 2.900 2.096 2.067 2.137 . 0 0 "[ . 1 . ]" 4
83 1 137 ILE HA 1 137 ILE MD 3.700 2.900 3.700 4.016 4.000 4.029 0.329 4 0 "[ . 1 . ]" 4
84 1 15 ILE HB 1 15 ILE MD 2.900 . 2.900 2.404 2.273 2.600 . 0 0 "[ . 1 . ]" 4
85 1 15 ILE HA 1 15 ILE MD 2.900 . 2.900 2.207 2.090 2.623 . 0 0 "[ . 1 . ]" 4
86 1 15 ILE HA 1 15 ILE MG 2.900 . 2.900 3.257 2.760 3.324 0.424 6 0 "[ . 1 . ]" 4
87 1 103 VAL MG1 1 103 VAL MG2 2.900 . 2.900 2.079 2.037 2.121 . 0 0 "[ . 1 . ]" 4
88 1 103 VAL HA 1 103 VAL QG 2.900 . 2.900 2.243 2.183 2.566 . 0 0 "[ . 1 . ]" 4
89 1 100 PHE QB 1 111 ILE MD 3.700 2.900 3.700 3.819 3.452 4.267 0.567 6 1 "[ .+ 1 . ]" 4
90 1 147 LEU QD 1 151 VAL QG 3.700 2.900 3.700 2.106 1.632 2.522 1.268 8 15 "[* **** +***-*****]" 4
91 1 147 LEU HG 1 151 VAL QG 2.900 . 2.900 2.965 2.669 3.434 0.534 9 1 "[ . +1 . ]" 4
92 1 15 ILE MG 1 23 ILE MG 3.700 2.900 3.700 2.506 1.977 3.421 0.923 17 10 "[ **** *1*** .-+]" 4
93 1 125 LEU QB 1 125 LEU QD 2.900 . 2.900 2.015 1.858 2.160 . 0 0 "[ . 1 . ]" 4
94 1 14 ARG QD 1 125 LEU QD 3.700 2.900 3.700 2.275 1.898 2.977 1.002 10 13 "[*** ** **+ ***-* ]" 4
95 1 11 TYR QD 1 15 ILE MD 3.700 2.900 3.700 3.876 2.757 4.597 0.897 13 5 "[* -. 1 + ** ]" 4
96 1 11 TYR QE 1 15 ILE MD 2.900 . 2.900 2.861 2.370 3.688 0.788 13 1 "[ . 1 + . ]" 4
97 1 11 TYR QD 1 15 ILE MG 5.000 3.700 5.000 3.690 3.022 4.837 0.678 13 2 "[ . 1 + .- ]" 4
98 1 11 TYR QD 1 15 ILE HB 5.000 3.700 5.000 3.637 2.685 4.438 1.015 6 2 "[ - .+ 1 . ]" 4
99 1 11 TYR QE 1 15 ILE MG 5.000 3.700 5.000 3.298 2.588 4.243 1.112 13 10 "[* **-** *1 +*.* ]" 4
100 1 15 ILE MD 1 28 PHE QE 5.000 3.700 5.000 2.847 2.186 4.496 1.514 5 13 "[-***+** 1****** ]" 4
101 1 15 ILE MG 1 28 PHE QE 5.000 3.700 5.000 3.971 2.216 4.673 1.484 9 2 "[ . +1 . -]" 4
102 1 15 ILE HG13 1 28 PHE HZ 3.700 2.900 3.700 3.308 2.739 3.730 0.161 5 0 "[ . 1 . ]" 4
103 1 15 ILE HG12 1 28 PHE HZ 2.900 . 2.900 2.848 2.378 3.590 0.690 17 2 "[ . -1 . +]" 4
104 1 23 ILE MG 1 28 PHE HZ 5.000 3.700 5.000 3.504 3.078 4.540 0.622 5 4 "[ + * 1* . -]" 4
105 1 144 LEU QB 1 144 LEU QD 2.900 . 2.900 2.088 1.986 2.190 . 0 0 "[ . 1 . ]" 4
106 1 142 ASP QB 1 144 LEU QD 5.000 3.700 5.000 3.784 2.987 4.572 0.713 7 4 "[ * +* 1 - ]" 4
107 1 12 PHE QD 1 75 PHE QD 5.000 3.700 5.000 3.000 2.676 3.156 1.024 13 17 [************+-***] 4
108 1 157 PHE QD 1 158 PHE HZ 5.000 3.700 5.000 4.276 3.939 4.770 . 0 0 "[ . 1 . ]" 4
109 1 100 PHE HZ 1 109 ASN HA 5.000 3.700 5.000 4.009 3.676 4.583 0.024 7 0 "[ . 1 . ]" 4
110 1 116 TYR QD 1 130 ALA MB 2.900 . 2.900 2.227 2.071 2.476 . 0 0 "[ . 1 . ]" 4
111 1 116 TYR QE 1 130 ALA MB 3.700 2.900 3.700 3.552 3.133 3.860 0.160 11 0 "[ . 1 . ]" 4
112 1 111 ILE MG 1 112 SER HA 5.000 3.700 5.000 4.094 4.000 4.270 . 0 0 "[ . 1 . ]" 4
113 1 104 ASP HA 1 111 ILE MG 5.000 3.700 5.000 4.427 3.916 4.882 . 0 0 "[ . 1 . ]" 4
114 1 123 LEU QD 1 170 TRP HZ3 3.700 2.900 3.700 2.717 2.059 3.808 0.841 3 5 "[ +*. * *-. ]" 4
115 1 56 VAL QG 1 98 LEU QD 2.900 . 2.900 2.463 1.730 3.152 0.252 13 0 "[ . 1 . ]" 4
116 1 56 VAL QG 1 98 LEU HG 5.000 3.700 5.000 3.661 2.710 4.396 0.990 10 6 "[ * *. + *- . *]" 4
117 1 56 VAL HA 1 56 VAL QG 2.900 . 2.900 2.263 2.162 2.335 . 0 0 "[ . 1 . ]" 4
118 1 53 LEU HA 1 56 VAL QG 2.900 . 2.900 2.747 1.984 3.030 0.130 4 0 "[ . 1 . ]" 4
119 1 56 VAL HA 1 98 LEU QD 3.700 2.900 3.700 3.027 2.078 3.885 0.822 10 1 "[ . + . ]" 4
120 1 56 VAL HA 1 98 LEU QB 5.000 3.700 5.000 3.977 3.178 5.031 0.522 16 1 "[ . 1 .+ ]" 4
121 1 143 GLY HA3 1 144 LEU QD 5.000 3.700 5.000 3.701 2.958 4.479 0.742 2 1 "[ + . 1 . ]" 4
122 1 143 GLY HA2 1 144 LEU QD 5.000 3.700 5.000 4.367 3.958 4.750 . 0 0 "[ . 1 . ]" 4
123 1 100 PHE HA 1 100 PHE QD 2.900 . 2.900 2.745 2.527 3.119 0.219 11 0 "[ . 1 . ]" 4
124 1 99 PHE QB 1 150 PHE QE 2.900 . 2.900 2.517 2.207 2.915 0.015 5 0 "[ . 1 . ]" 4
125 1 112 SER HB3 1 144 LEU QD 2.900 . 2.900 2.176 1.939 2.393 . 0 0 "[ . 1 . ]" 4
126 1 112 SER HB2 1 144 LEU QD 2.900 . 2.900 2.596 2.158 3.272 0.372 9 0 "[ . 1 . ]" 4
127 1 110 ASN HA 1 146 SER HA 2.900 . 2.900 2.751 2.270 2.981 0.081 5 0 "[ . 1 . ]" 4
128 1 145 LEU HA 1 146 SER HA 5.000 3.700 5.000 4.575 4.537 4.622 . 0 0 "[ . 1 . ]" 4
129 1 11 TYR QD 1 170 TRP HZ2 5.000 3.700 5.000 3.844 3.249 4.671 0.451 13 0 "[ . 1 . ]" 4
130 1 11 TYR QE 1 170 TRP HZ2 3.700 2.900 3.700 3.278 2.742 3.757 0.158 13 0 "[ . 1 . ]" 4
131 1 35 PHE QD 1 49 LEU QD 2.900 . 2.900 2.202 2.004 2.979 0.079 6 0 "[ . 1 . ]" 4
132 1 169 PHE QD 1 170 TRP HA 5.000 3.700 5.000 4.328 3.595 5.084 0.105 6 0 "[ . 1 . ]" 4
133 1 169 PHE QB 1 169 PHE QD 2.900 . 2.900 2.206 2.162 2.274 . 0 0 "[ . 1 . ]" 4
134 1 10 THR HB 1 157 PHE HZ 3.700 2.900 3.700 3.176 2.565 5.107 1.407 11 4 "[ **.- 1+ . ]" 4
135 1 150 PHE HA 1 150 PHE QD 2.900 . 2.900 2.990 2.758 3.142 0.242 4 0 "[ . 1 . ]" 4
136 1 120 PHE HA 1 120 PHE QD 2.900 . 2.900 2.797 2.454 3.153 0.253 11 0 "[ . 1 . ]" 4
137 1 120 PHE HA 1 123 LEU QB . 3.700 3.700 2.904 2.541 3.195 1.159 7 17 [******+*******-**] 4
138 1 120 PHE QD 1 127 LYS HA 5.000 3.700 5.000 4.130 2.662 5.262 1.038 5 2 "[ - + 1 . ]" 4
139 1 120 PHE QD 1 129 MET QG . 2.900 2.900 3.306 2.595 3.953 1.053 15 6 "[ * * ** 1 -+ ]" 4
140 1 120 PHE QE 1 129 MET QG 3.700 3.700 3.700 2.651 2.144 4.099 1.556 14 15 "[*********- **+** ]" 4
141 1 120 PHE QD 1 130 ALA MB 3.700 2.900 3.700 2.930 2.497 3.131 0.403 6 0 "[ . 1 . ]" 4
142 1 120 PHE QD 1 130 ALA HA 3.700 2.900 3.700 3.585 3.020 4.213 0.513 5 1 "[ + 1 . ]" 4
143 1 120 PHE QE 1 130 ALA HA 3.700 2.900 3.700 3.052 2.389 3.739 0.511 6 1 "[ .+ 1 . ]" 4
144 1 120 PHE QB 1 130 ALA MB 2.900 2.900 2.900 2.596 2.405 2.867 0.495 16 0 "[ . 1 . ]" 4
145 1 150 PHE HA 1 169 PHE QE 3.700 2.900 3.700 3.134 2.387 4.213 0.513 10 3 "[ . + * - ]" 4
146 1 153 ALA MB 1 169 PHE QE 2.900 . 2.900 2.382 2.047 3.423 0.523 7 1 "[ . + 1 . ]" 4
147 1 137 ILE MG 1 153 ALA MB 3.700 2.900 3.700 2.143 1.922 2.760 0.978 12 16 [***********+-*.**] 4
148 1 96 LEU QD 1 169 PHE QE 3.700 2.900 3.700 2.690 1.993 3.956 0.907 10 5 "[* *. -* + . ]" 4
149 1 96 LEU QD 1 169 PHE QD 5.000 3.700 5.000 3.972 3.534 4.981 0.166 6 0 "[ . 1 . ]" 4
150 1 96 LEU QD 1 169 PHE HZ 5.000 3.700 5.000 2.829 2.092 4.099 1.608 6 14 "[* ***+**** **** -]" 4
151 1 137 ILE QG 1 169 PHE QD . 2.900 2.900 3.182 2.405 4.208 1.308 7 4 "[ - +* * . ]" 4
152 1 137 ILE MG 1 138 ASP HA 5.000 3.700 5.000 3.850 3.662 4.008 0.038 16 0 "[ . 1 . ]" 4
153 1 137 ILE MG 1 150 PHE HA 2.900 . 2.900 2.647 2.357 2.996 0.096 13 0 "[ . 1 . ]" 4
154 1 137 ILE MG 1 150 PHE QD 2.900 . 2.900 3.463 2.788 3.878 0.978 4 10 "[ - +. ***1****. *]" 4
155 1 137 ILE MD 1 150 PHE HA 3.700 2.900 3.700 3.540 3.375 3.611 . 0 0 "[ . 1 . ]" 4
156 1 137 ILE MG 1 150 PHE HB3 5.000 3.700 5.000 4.813 4.511 5.153 0.153 13 0 "[ . 1 . ]" 4
157 1 137 ILE QG 1 150 PHE HA 5.000 3.700 5.000 4.586 4.033 5.022 0.022 8 0 "[ . 1 . ]" 4
158 1 166 ASN HA 1 169 PHE QD 5.000 3.700 5.000 4.623 3.937 5.709 0.709 10 1 "[ . + . ]" 4
159 1 166 ASN HA 1 169 PHE QB 5.000 3.700 5.000 4.116 3.346 4.935 0.354 4 0 "[ . 1 . ]" 4
160 1 166 ASN QB 1 169 PHE QD 3.700 2.900 3.700 3.923 2.687 5.245 1.545 7 5 "[* .-+ ** . ]" 4
161 1 153 ALA MB 1 169 PHE QD 2.900 . 2.900 2.665 2.078 3.809 0.909 7 2 "[ . +- 1 . ]" 4
162 1 153 ALA MB 1 169 PHE HZ 5.000 3.700 5.000 3.956 3.341 4.435 0.359 8 0 "[ . 1 . ]" 4
163 1 137 ILE MD 1 169 PHE QD 3.700 2.900 3.700 2.572 2.076 3.069 0.824 10 4 "[ *. -* + . ]" 4
164 1 116 TYR QE 1 134 PHE QB . 3.700 3.700 3.170 2.835 3.985 0.865 13 11 "[ *** -*1**+*** ]" 4
165 1 116 TYR QD 1 134 PHE HA 5.000 3.700 5.000 4.164 3.739 4.616 . 0 0 "[ . 1 . ]" 4
166 1 116 TYR QE 1 134 PHE HA 5.000 3.700 5.000 3.641 3.142 4.236 0.558 11 1 "[ . 1+ . ]" 4
167 1 116 TYR QE 1 130 ALA HA 2.900 . 2.900 3.002 2.397 3.511 0.611 3 2 "[ + . 1- . ]" 4
168 1 116 TYR QE 1 133 SER QB 3.700 2.900 3.700 2.167 2.041 2.414 0.859 3 16 "[**+********* *-**]" 4
169 1 134 PHE QB 1 134 PHE QD 2.900 . 2.900 2.198 2.179 2.210 . 0 0 "[ . 1 . ]" 4
170 1 145 LEU HA 1 145 LEU HG 3.700 2.900 3.700 3.435 3.342 3.508 . 0 0 "[ . 1 . ]" 4
171 1 134 PHE HZ 1 145 LEU HG 3.700 2.900 3.700 2.943 2.856 3.709 0.044 4 0 "[ . 1 . ]" 4
172 1 22 ALA HA 1 71 ASP HA 2.900 . 2.900 2.525 2.177 2.916 0.016 12 0 "[ . 1 . ]" 4
173 1 12 PHE QD 1 13 ASN HA 2.900 . 2.900 3.430 3.157 3.851 0.951 14 8 "[ ** .- * * +* *]" 4
174 1 12 PHE HB3 1 12 PHE QD 2.900 . 2.900 2.508 2.434 2.616 . 0 0 "[ . 1 . ]" 4
175 1 12 PHE HB2 1 12 PHE QD 2.900 . 2.900 2.473 2.368 2.581 . 0 0 "[ . 1 . ]" 4
176 1 100 PHE HZ 1 146 SER HA 3.700 2.900 3.700 2.900 2.841 3.133 0.059 6 0 "[ . 1 . ]" 4
177 1 100 PHE QE 1 146 SER HA 2.900 . 2.900 3.638 3.160 4.023 1.123 4 15 "[-**+*****1***** *]" 4
178 1 166 ASN HA 1 167 LYS HG2 5.000 3.700 5.000 5.153 4.339 5.769 0.769 11 2 "[ - 1+ . ]" 4
179 1 11 TYR HA 1 11 TYR QD 2.900 . 2.900 2.661 2.370 3.149 0.249 13 0 "[ . 1 . ]" 4
180 1 11 TYR HB2 1 11 TYR QD 2.900 . 2.900 2.630 2.367 2.823 . 0 0 "[ . 1 . ]" 4
181 1 22 ALA MB 1 71 ASP HA 3.700 2.900 3.700 2.928 2.302 3.439 0.598 17 1 "[ . 1 . +]" 4
182 1 10 THR HA 1 10 THR HB 3.700 2.900 3.700 2.947 2.345 3.189 0.555 11 2 "[ - . 1+ . ]" 4
183 1 85 ASN HA 1 85 ASN HB2 2.900 . 2.900 2.608 2.476 3.113 0.213 17 0 "[ . 1 . ]" 4
184 1 85 ASN HA 1 85 ASN HB3 3.700 2.900 3.700 3.033 2.712 3.082 0.188 17 0 "[ . 1 . ]" 4
185 1 86 PRO HA 1 87 GLU H 3.700 2.900 3.700 3.438 3.363 3.505 . 0 0 "[ . 1 . ]" 4
186 1 85 ASN HA 1 87 GLU H 3.700 2.900 3.700 3.818 3.769 3.885 0.185 13 0 "[ . 1 . ]" 4
187 1 112 SER HA 1 144 LEU QD 2.900 . 2.900 2.268 2.119 2.476 . 0 0 "[ . 1 . ]" 4
188 1 112 SER HA 1 112 SER HB2 2.900 . 2.900 2.340 2.211 2.490 . 0 0 "[ . 1 . ]" 4
189 1 112 SER HA 1 112 SER HB3 2.900 . 2.900 2.614 2.433 2.792 . 0 0 "[ . 1 . ]" 4
190 1 111 ILE HA 1 111 ILE HG13 2.900 . 2.900 2.902 2.815 2.936 0.036 9 0 "[ . 1 . ]" 4
191 1 111 ILE HA 1 111 ILE HG12 2.900 . 2.900 2.643 2.280 2.860 . 0 0 "[ . 1 . ]" 4
192 1 111 ILE HA 1 111 ILE MD 5.000 3.700 5.000 3.965 3.831 4.036 . 0 0 "[ . 1 . ]" 4
193 1 111 ILE HB 1 145 LEU QD 2.900 . 2.900 2.817 2.692 2.876 . 0 0 "[ . 1 . ]" 4
194 1 92 VAL MG1 1 92 VAL MG2 3.700 2.900 3.700 2.118 2.078 2.151 0.822 10 17 [*****-***+*******] 4
195 1 92 VAL HA 1 92 VAL QG 2.900 . 2.900 2.466 2.261 2.757 . 0 0 "[ . 1 . ]" 4
196 1 124 GLY HA3 1 125 LEU HA 5.000 3.700 5.000 4.760 4.684 4.815 . 0 0 "[ . 1 . ]" 4
197 1 73 THR HA 1 73 THR MG 2.900 . 2.900 2.304 2.200 2.357 . 0 0 "[ . 1 . ]" 4
198 1 11 TYR HA 1 170 TRP QB 3.700 2.900 3.700 3.259 2.908 3.360 . 0 0 "[ . 1 . ]" 4
199 1 11 TYR HA 1 11 TYR HB2 2.900 . 2.900 2.461 2.396 2.513 . 0 0 "[ . 1 . ]" 4
200 1 27 ASP HA 1 30 SER QB 5.000 3.700 5.000 2.696 2.563 2.958 1.137 12 17 [*********-*+*****] 4
201 1 88 ALA HA 1 89 LYS QG 5.000 3.700 5.000 5.110 4.654 5.416 0.416 15 0 "[ . 1 . ]" 4
202 1 88 ALA HA 1 91 VAL QG 5.000 3.700 5.000 3.575 2.665 4.219 1.035 5 2 "[ - + 1 . ]" 4
203 1 100 PHE QD 1 150 PHE HB2 2.900 . 2.900 2.924 2.499 3.270 0.370 15 0 "[ . 1 . ]" 4
204 1 100 PHE QD 1 150 PHE HB3 2.900 . 2.900 2.853 2.173 3.772 0.872 6 1 "[ .+ 1 . ]" 4
205 1 100 PHE QE 1 150 PHE HB2 3.700 2.900 3.700 3.034 2.464 3.641 0.436 11 0 "[ . 1 . ]" 4
206 1 100 PHE QE 1 150 PHE HB3 3.700 2.900 3.700 3.695 2.481 4.688 0.988 6 3 "[- .+ * . ]" 4
207 1 140 ASN HA 1 140 ASN HB2 2.900 . 2.900 2.385 2.228 2.480 . 0 0 "[ . 1 . ]" 4
208 1 140 ASN HA 1 140 ASN HB3 2.900 . 2.900 2.554 2.438 3.014 0.114 8 0 "[ . 1 . ]" 4
209 1 48 VAL HA 1 48 VAL QG 2.900 . 2.900 2.187 2.101 2.305 . 0 0 "[ . 1 . ]" 4
210 1 45 HIS QB 1 48 VAL QG 5.000 3.700 5.000 3.448 2.212 4.214 1.488 6 4 "[ -*.+ 1 .* ]" 4
211 1 76 ILE HA 1 76 ILE MD 3.700 2.900 3.700 2.580 2.212 3.939 0.688 12 8 "[ * -* * 1 + ** *]" 4
212 1 152 ILE HA 1 152 ILE MD 3.700 2.900 3.700 3.473 2.202 3.975 0.698 8 3 "[ * . + 1 - ]" 4
213 1 152 ILE HA 1 152 ILE MG 2.900 . 2.900 2.696 2.645 2.838 . 0 0 "[ . 1 . ]" 4
214 1 152 ILE HA 1 152 ILE QG 2.900 . 2.900 2.515 2.387 2.943 0.043 2 0 "[ . 1 . ]" 4
215 1 152 ILE HA 1 152 ILE HB 3.700 2.900 3.700 3.064 3.045 3.071 . 0 0 "[ . 1 . ]" 4
216 1 70 ILE MG 1 75 PHE HB2 2.900 . 2.900 2.144 2.015 2.256 . 0 0 "[ . 1 . ]" 4
217 1 70 ILE MG 1 74 THR HB 2.900 . 2.900 2.728 2.487 3.293 0.393 6 0 "[ . 1 . ]" 4
218 1 64 VAL MG1 1 78 SER HB3 2.900 . 2.900 2.824 2.075 3.343 0.443 17 0 "[ . 1 . ]" 4
219 1 64 VAL MG1 1 78 SER HB2 2.900 . 2.900 2.768 2.248 3.255 0.355 6 0 "[ . 1 . ]" 4
220 1 70 ILE HA 1 70 ILE MG 2.900 . 2.900 2.434 2.351 2.569 . 0 0 "[ . 1 . ]" 4
221 1 70 ILE MG 1 75 PHE HA 2.900 . 2.900 2.662 2.250 3.036 0.136 12 0 "[ . 1 . ]" 4
222 1 82 MET QB 1 83 VAL QG 3.700 2.900 3.700 3.513 2.935 3.916 0.216 15 0 "[ . 1 . ]" 4
223 1 141 ASN HA 1 141 ASN HB2 2.900 . 2.900 2.853 2.227 3.098 0.198 10 0 "[ . 1 . ]" 4
224 1 32 ALA MB 1 53 LEU QD 2.900 . 2.900 2.182 2.040 2.358 . 0 0 "[ . 1 . ]" 4
225 1 32 ALA HA 1 53 LEU QD 2.900 . 2.900 2.281 2.009 2.718 . 0 0 "[ . 1 . ]" 4
226 1 32 ALA HA 1 53 LEU QB 5.000 3.700 5.000 4.164 3.609 4.539 0.091 7 0 "[ . 1 . ]" 4
227 1 32 ALA HA 1 50 MET HA 5.000 3.700 5.000 4.480 3.931 4.871 . 0 0 "[ . 1 . ]" 4
228 1 32 ALA HA 1 36 ALA MB 5.000 3.700 5.000 4.218 4.024 4.486 . 0 0 "[ . 1 . ]" 4
229 1 36 ALA HA 1 41 MET ME 2.900 2.900 2.900 2.455 2.048 3.174 0.852 5 11 "[ * + **-****.**]" 4
230 1 36 ALA HA 1 49 LEU QD 3.500 2.500 3.500 2.741 2.388 3.188 0.112 7 0 "[ . 1 . ]" 4
231 1 36 ALA HA 1 46 ALA HA 5.000 3.700 5.000 4.289 3.693 5.005 0.007 16 0 "[ . 1 . ]" 4
232 1 36 ALA MB 1 49 LEU QD 3.500 2.500 3.500 2.154 2.015 2.580 0.485 1 0 "[ . 1 . ]" 4
233 1 11 TYR QE 1 170 TRP HZ3 5.000 3.700 5.000 4.456 3.815 5.058 0.058 13 0 "[ . 1 . ]" 4
234 1 10 THR HB 1 173 LEU HA 5.000 3.700 5.000 4.607 3.039 4.891 0.661 11 1 "[ . 1+ . ]" 4
235 1 28 PHE QE 1 56 VAL HB 3.700 2.900 3.700 3.140 2.544 4.441 0.741 10 1 "[ . + . ]" 4
236 1 28 PHE QE 1 56 VAL QG 5.000 3.700 5.000 2.370 2.153 2.571 1.547 9 17 [***-****+********] 4
237 1 28 PHE QD 1 56 VAL QG 5.000 3.700 5.000 3.469 2.612 3.968 1.088 7 3 "[ . + -* . ]" 4
238 1 28 PHE QB 1 28 PHE QD 2.900 . 2.900 2.219 2.205 2.263 . 0 0 "[ . 1 . ]" 4
239 1 28 PHE QD 1 61 LEU QD 5.000 3.700 5.000 4.114 3.785 4.450 . 0 0 "[ . 1 . ]" 4
240 1 28 PHE QE 1 61 LEU QD 2.900 . 2.900 2.373 2.106 2.932 0.032 2 0 "[ . 1 . ]" 4
241 1 28 PHE HZ 1 61 LEU QD 2.900 . 2.900 2.302 2.110 2.533 . 0 0 "[ . 1 . ]" 4
242 1 28 PHE QD 1 57 TRP HB2 2.900 . 2.900 2.778 2.234 3.262 0.362 10 0 "[ . 1 . ]" 4
243 1 28 PHE QD 1 57 TRP HB3 5.000 3.700 5.000 3.790 3.079 4.418 0.621 9 1 "[ . +1 . ]" 4
244 1 103 VAL QG 1 119 PHE QB . 2.900 2.900 2.121 1.896 2.526 1.004 6 16 [*****+***1****-**] 4
245 1 119 PHE QB 1 119 PHE QD 2.900 . 2.900 2.189 2.176 2.214 . 0 0 "[ . 1 . ]" 4
246 1 103 VAL QG 1 119 PHE QD 2.900 . 2.900 2.513 2.262 2.848 . 0 0 "[ . 1 . ]" 4
247 1 113 ARG HA 1 116 TYR QB 2.900 . 2.900 2.886 2.411 3.232 0.332 14 0 "[ . 1 . ]" 4
248 1 137 ILE MG 1 149 GLU QB 2.900 2.900 2.900 2.088 1.905 2.305 0.995 10 17 [*********+****-**] 4
249 1 152 ILE HB 1 152 ILE MD 2.900 . 2.900 2.612 2.393 3.348 0.448 2 0 "[ . 1 . ]" 4
250 1 112 SER HA 1 144 LEU HA 2.900 . 2.900 2.555 2.234 2.875 . 0 0 "[ . 1 . ]" 4
251 1 7 LYS HA 1 8 MET HA 5.000 3.700 5.000 4.881 4.795 4.957 . 0 0 "[ . 1 . ]" 4
252 1 23 ILE HA 1 23 ILE MG 3.700 2.900 3.700 2.467 2.290 2.969 0.610 4 12 "[* +* ****-** .**]" 4
253 1 23 ILE MG 1 28 PHE QE 2.900 . 2.900 2.308 2.026 3.407 0.507 9 1 "[ . +1 . ]" 4
254 1 23 ILE HA 1 23 ILE QG 2.900 . 2.900 3.145 2.526 3.328 0.428 4 0 "[ . 1 . ]" 4
255 1 61 LEU HA 1 64 VAL MG2 2.900 . 2.900 2.797 2.117 3.056 0.156 8 0 "[ . 1 . ]" 4
256 1 64 VAL HA 1 64 VAL MG2 2.900 . 2.900 2.507 2.406 2.691 . 0 0 "[ . 1 . ]" 4
257 1 110 ASN QB 1 144 LEU HG 2.900 . 2.900 2.446 1.992 2.647 . 0 0 "[ . 1 . ]" 4
258 1 35 PHE HA 1 35 PHE HB3 3.700 2.900 3.700 3.042 2.756 3.087 0.144 6 0 "[ . 1 . ]" 4
259 1 35 PHE HA 1 35 PHE HB2 2.900 . 2.900 2.664 2.534 3.109 0.209 11 0 "[ . 1 . ]" 4
260 1 35 PHE HB3 1 35 PHE QD 2.900 . 2.900 2.634 2.323 2.843 . 0 0 "[ . 1 . ]" 4
261 1 62 THR HA 1 62 THR MG 2.900 . 2.900 2.603 2.510 2.777 . 0 0 "[ . 1 . ]" 4
262 1 92 VAL QG 1 158 PHE HB3 2.900 . 2.900 2.131 1.939 2.561 . 0 0 "[ . 1 . ]" 4
263 1 92 VAL QG 1 158 PHE HB2 . 2.900 3.700 2.951 2.273 3.342 0.627 3 1 "[ + . 1 . ]" 4
264 1 92 VAL QG 1 158 PHE QD 2.900 . 2.900 2.693 2.222 3.784 0.884 14 1 "[ . 1 +. ]" 4
265 1 92 VAL QG 1 93 GLU HA 3.700 2.900 3.700 3.530 3.396 3.634 . 0 0 "[ . 1 . ]" 4
266 1 65 ALA MB 1 70 ILE HA 3.700 2.900 3.700 3.624 2.987 3.938 0.238 3 0 "[ . 1 . ]" 4
267 1 96 LEU HA 1 96 LEU QD 5.000 3.700 5.000 2.155 2.056 2.448 1.644 10 17 [****-****+*******] 4
268 1 96 LEU HA 1 96 LEU HG 3.700 2.900 3.700 3.186 2.784 3.726 0.116 8 0 "[ . 1 . ]" 4
269 1 116 TYR QD 1 119 PHE QB 2.900 . 2.900 3.930 3.548 4.437 1.537 10 17 [******-**+*******] 4
270 1 116 TYR HA 1 119 PHE QD 3.700 2.900 3.700 2.931 2.541 3.487 0.359 15 0 "[ . 1 . ]" 4
271 1 116 TYR HA 1 116 TYR QD 2.900 . 2.900 2.627 2.383 2.938 0.038 10 0 "[ . 1 . ]" 4
272 1 103 VAL QG 1 116 TYR HA 3.700 2.900 3.700 2.968 2.608 3.358 0.292 3 0 "[ . 1 . ]" 4
273 1 12 PHE HA 1 12 PHE QD 2.900 . 2.900 2.903 2.700 3.142 0.242 12 0 "[ . 1 . ]" 4
274 1 16 ASP HA 1 27 ASP QB 2.900 . 2.900 3.423 2.369 4.321 1.421 10 9 "[ *-** * + * .**]" 4
275 1 99 PHE HA 1 99 PHE QD 2.900 . 2.900 2.443 2.264 2.759 . 0 0 "[ . 1 . ]" 4
276 1 99 PHE QB 1 99 PHE QD 2.900 . 2.900 2.226 2.213 2.240 . 0 0 "[ . 1 . ]" 4
277 1 100 PHE QB 1 100 PHE QD 2.900 . 2.900 2.208 2.181 2.226 . 0 0 "[ . 1 . ]" 4
278 1 134 PHE QD 1 135 ASP HA 3.700 2.900 3.700 3.333 3.043 3.617 . 0 0 "[ . 1 . ]" 4
279 1 60 PHE QB 1 60 PHE QD 2.900 . 2.900 2.215 2.163 2.264 . 0 0 "[ . 1 . ]" 4
280 1 6 GLN HA 1 6 GLN HB3 2.900 . 2.900 2.580 2.382 3.025 0.125 11 0 "[ . 1 . ]" 4
281 1 6 GLN HA 1 6 GLN HB2 3.700 2.900 3.700 3.043 2.682 3.080 0.218 11 0 "[ . 1 . ]" 4
282 1 64 VAL HA 1 64 VAL HB 3.700 2.900 3.700 3.062 3.044 3.072 . 0 0 "[ . 1 . ]" 4
283 1 25 ARG HA 1 28 PHE QD 2.900 . 2.900 3.016 2.416 4.771 1.871 9 3 "[ . +* . -]" 4
284 1 25 ARG HA 1 28 PHE QB . 3.700 3.700 2.947 2.825 3.184 0.875 6 17 [*-***+***********] 4
285 1 17 PHE QD 1 30 SER QB 2.900 . 2.900 3.052 2.106 3.935 1.035 1 5 "[+ * 1* .-*]" 4
286 1 17 PHE QE 1 30 SER QB 2.900 . 2.900 4.249 2.568 5.124 2.224 11 14 "[******* *1+* *-**]" 4
287 1 61 LEU QD 1 75 PHE QE 3.700 3.700 3.700 2.846 2.182 3.581 1.518 2 14 "[ +****** *-***.**]" 4
288 1 61 LEU QD 1 75 PHE QD 5.000 3.700 5.000 3.314 2.483 4.494 1.217 2 7 "[ + *. ** 1 * *. -]" 4
289 1 75 PHE HB2 1 75 PHE QD 2.900 . 2.900 2.531 2.454 2.671 . 0 0 "[ . 1 . ]" 4
290 1 57 TRP HE3 1 61 LEU QD 2.900 . 2.900 2.702 2.368 3.052 0.152 2 0 "[ . 1 . ]" 4
291 1 57 TRP HZ3 1 61 LEU QD 5.000 3.700 5.000 3.139 2.185 4.133 1.515 5 11 "[ + **-*** ****]" 4
292 1 57 TRP HE3 1 61 LEU QB 2.900 . 2.900 3.082 2.435 4.357 1.457 5 2 "[ + 1- . ]" 4
293 1 25 ARG HA 1 57 TRP HE3 5.000 3.700 5.000 4.448 4.007 5.014 0.014 4 0 "[ . 1 . ]" 4
294 1 57 TRP HZ3 1 61 LEU QB 3.700 2.900 3.700 3.846 2.646 4.481 0.781 7 6 "[ *. +* - * * ]" 4
295 1 56 VAL QG 1 60 PHE QD 5.000 3.700 5.000 3.816 2.890 4.541 0.810 9 1 "[ . +1 . ]" 4
296 1 56 VAL HA 1 60 PHE QD 2.900 . 2.900 3.000 2.110 4.158 1.258 16 5 "[ .- 1 * *+*]" 4
297 1 56 VAL HA 1 60 PHE QB 3.700 2.900 3.700 3.232 2.765 3.722 0.135 16 0 "[ . 1 . ]" 4
298 1 59 ASN QB 1 60 PHE QD 2.900 . 2.900 2.982 2.712 3.403 0.503 9 1 "[ . +1 . ]" 4
299 1 59 ASN HA 1 62 THR MG 5.000 3.700 5.000 4.802 4.554 4.858 . 0 0 "[ . 1 . ]" 4
300 1 96 LEU QD 1 99 PHE QD 2.900 . 2.900 2.889 2.343 3.993 1.093 5 3 "[* + 1 - . ]" 4
301 1 96 LEU QD 1 99 PHE QE 5.000 3.700 5.000 4.199 3.386 5.446 0.446 5 0 "[ . 1 . ]" 4
302 1 119 PHE QE 1 123 LEU QD 3.700 2.900 3.700 2.673 2.425 3.035 0.475 16 0 "[ . 1 . ]" 4
303 1 116 TYR QB 1 134 PHE QE 3.700 2.900 3.700 2.872 2.558 3.474 0.342 14 0 "[ . 1 . ]" 4
304 1 116 TYR QB 1 134 PHE QD 2.900 . 2.900 2.339 2.164 2.550 . 0 0 "[ . 1 . ]" 4
305 1 145 LEU QD 1 150 PHE QD 3.700 2.900 3.700 2.564 2.137 3.096 0.763 12 5 "[ * * 1 +* - ]" 4
306 1 147 LEU QD 1 150 PHE QD 2.900 . 2.900 3.555 3.238 3.806 0.906 16 13 "[*-* .****** **.+*]" 4
307 1 157 PHE QE 1 173 LEU MD2 3.500 2.800 3.500 3.727 3.319 4.031 0.531 11 1 "[ . 1+ . ]" 4
308 1 157 PHE QD 1 173 LEU MD2 5.000 3.700 5.000 4.961 4.237 5.412 0.412 8 0 "[ . 1 . ]" 4
309 1 96 LEU QD 1 170 TRP HZ2 3.700 2.900 3.700 3.144 2.453 3.641 0.447 8 0 "[ . 1 . ]" 4
310 1 96 LEU QD 1 170 TRP HH2 5.000 3.700 5.000 4.621 3.761 4.971 . 0 0 "[ . 1 . ]" 4
311 1 96 LEU QD 1 170 TRP HE1 5.000 3.700 5.000 3.600 2.818 4.423 0.882 6 2 "[ -+ 1 . ]" 4
312 1 96 LEU QD 1 150 PHE QE 3.700 2.900 3.700 2.524 2.223 3.121 0.677 10 7 "[ - .** + * ** ]" 4
313 1 1 SER QB 1 4 TRP QB 3.700 2.900 3.700 2.855 2.039 4.803 1.103 15 12 "[****.** *-* **+ ]" 4
314 1 18 ASP H 1 27 ASP HA 3.700 2.900 3.700 3.103 2.848 3.710 0.052 2 0 "[ . 1 . ]" 4
315 1 18 ASP H 1 27 ASP QB 5.000 3.700 5.000 3.115 2.157 4.326 1.543 9 10 "[*- .***+1** ** ]" 4
316 1 17 PHE QE 1 31 MET H 5.000 4.000 5.000 4.935 3.800 5.437 0.437 11 0 "[ . 1 . ]" 4
317 1 17 PHE QE 1 31 MET HA 2.900 . 2.900 3.139 2.881 3.431 0.531 13 2 "[ . 1- + . ]" 4
318 1 17 PHE HZ 1 31 MET HA 3.700 2.900 3.700 3.695 3.276 3.772 0.072 11 0 "[ . 1 . ]" 4
319 1 17 PHE QD 1 31 MET HA 3.700 2.900 3.700 3.330 2.982 3.956 0.256 13 0 "[ . 1 . ]" 4
320 1 39 SER HA 1 118 ILE MG 3.700 2.900 3.700 3.738 3.469 3.920 0.220 15 0 "[ . 1 . ]" 4
321 1 39 SER HA 1 118 ILE HG12 5.000 3.700 5.000 4.944 4.228 5.049 0.049 17 0 "[ . 1 . ]" 4
322 1 39 SER HA 1 118 ILE HG13 5.000 3.700 5.000 4.883 4.283 5.042 0.042 1 0 "[ . 1 . ]" 4
323 1 12 PHE QE 1 21 GLY H 5.000 3.700 5.000 5.295 4.260 5.864 0.864 8 6 "[** -. + 1 * *. ]" 4
324 1 12 PHE HZ 1 21 GLY QA . 3.700 3.700 3.924 3.353 4.197 0.497 8 0 "[ . 1 . ]" 4
325 1 4 TRP HH2 1 79 MET HB2 2.900 . 2.900 2.741 2.232 3.680 0.780 10 1 "[ . + . ]" 4
326 1 4 TRP HH2 1 79 MET HB3 3.700 2.900 3.700 3.051 2.548 3.711 0.352 6 0 "[ . 1 . ]" 4
327 1 4 TRP HZ2 1 79 MET HB3 2.900 . 2.900 2.527 2.243 2.888 . 0 0 "[ . 1 . ]" 4
328 1 4 TRP HZ2 1 79 MET HB2 3.700 2.900 3.700 3.585 2.997 3.732 0.032 15 0 "[ . 1 . ]" 4
329 1 4 TRP HZ2 1 79 MET HA 5.000 3.700 5.000 4.389 4.042 4.688 . 0 0 "[ . 1 . ]" 4
330 1 75 PHE QD 1 79 MET QG 5.000 3.700 5.000 3.504 3.230 4.277 0.470 1 0 "[ . 1 . ]" 4
331 1 75 PHE QE 1 79 MET QG . 2.900 2.900 3.147 2.692 4.170 1.270 6 1 "[ .+ 1 . ]" 4
332 1 42 LYS H 1 106 ASN HA 3.700 2.900 3.700 3.766 3.699 3.848 0.148 10 0 "[ . 1 . ]" 4
333 1 137 ILE MG 1 149 GLU HA 5.000 3.700 5.000 3.652 3.304 3.988 0.396 8 0 "[ . 1 . ]" 4
334 1 60 PHE QD 1 95 PRO QG 5.000 3.700 5.000 3.380 2.439 4.359 1.261 4 7 "[ * +- * 1* **. ]" 4
335 1 60 PHE QE 1 94 GLY HA3 2.900 . 2.900 2.952 2.640 3.231 0.331 3 0 "[ . 1 . ]" 4
336 1 60 PHE QE 1 94 GLY HA2 3.700 2.900 3.700 3.918 3.628 4.114 0.414 2 0 "[ . 1 . ]" 4
337 1 60 PHE QE 1 91 VAL HB 5.000 3.700 5.000 5.324 4.437 6.160 1.160 5 5 "[ **+ -1* . ]" 4
338 1 12 PHE QE 1 72 GLU H 3.700 2.900 3.700 3.895 3.458 4.565 0.865 17 2 "[ . 1 - +]" 4
339 1 12 PHE QE 1 71 ASP HA 3.700 2.900 3.700 3.946 3.337 4.608 0.908 15 4 "[ . 1 *+-*]" 4
340 1 12 PHE HZ 1 71 ASP HA 3.700 2.900 3.700 3.103 2.872 3.740 0.040 17 0 "[ . 1 . ]" 4
341 1 12 PHE QD 1 72 GLU HA 3.700 2.900 3.700 3.907 3.229 4.756 1.056 17 3 "[ . 1 -* +]" 4
342 1 154 GLY QA 1 169 PHE QE 2.900 . 2.900 3.032 2.180 3.521 0.621 3 1 "[ + . 1 . ]" 4
343 1 154 GLY QA 1 169 PHE QD . 3.700 3.700 3.275 2.408 3.838 1.292 10 5 "[ *. -* + * ]" 4
344 1 17 PHE QD 1 123 LEU HA 3.700 2.900 3.700 4.174 2.928 5.227 1.527 6 7 "[*** .+ 1** -. ]" 4
345 1 17 PHE QE 1 123 LEU HA 5.000 3.700 5.000 3.320 2.541 4.907 1.159 3 10 "[ -+ . ***1** *** ]" 4
346 1 17 PHE QD 1 123 LEU QD 5.000 3.700 5.000 3.583 2.556 4.201 1.144 8 2 "[ . + 1 - ]" 4
347 1 35 PHE QE 1 122 MET QB 5.000 3.700 5.000 3.300 2.506 5.076 1.194 14 9 "[ * -** *1** +.* ]" 4
348 1 35 PHE QD 1 122 MET QG 3.700 2.900 3.700 3.183 2.205 4.467 0.767 1 4 "[+ . - * * . ]" 4
349 1 35 PHE QE 1 122 MET QG 5.000 3.700 5.000 3.596 3.009 4.902 0.691 13 3 "[ -. 1 +*. ]" 4
350 1 35 PHE HZ 1 122 MET QG 5.000 3.700 5.000 4.556 3.389 6.132 1.132 1 4 "[+ . - ** . ]" 4
351 1 12 PHE QE 1 72 GLU HA 3.700 2.900 3.700 3.222 2.679 3.591 0.221 16 0 "[ . 1 . ]" 4
352 1 12 PHE QE 1 23 ILE MD 5.000 3.700 5.000 3.155 2.572 3.887 1.128 14 9 "[** **- 1* +.**]" 4
353 1 12 PHE QD 1 72 GLU QG 5.000 3.700 5.000 3.795 2.837 5.441 0.863 3 3 "[*-+ . 1 . ]" 4
354 1 8 MET HA 1 75 PHE QE 2.900 . 2.900 3.156 2.488 3.931 1.031 15 3 "[ *. 1 + -]" 4
355 1 8 MET HA 1 75 PHE QD 5.000 3.700 5.000 5.118 4.126 6.163 1.163 15 3 "[ -. 1 + *]" 4
356 1 8 MET HA 1 75 PHE HZ 5.000 3.700 5.000 4.404 4.031 4.718 . 0 0 "[ . 1 . ]" 4
357 1 8 MET QB 1 75 PHE HZ 5.000 3.700 5.000 4.629 3.845 5.055 0.055 3 0 "[ . 1 . ]" 4
358 1 70 ILE MD 1 75 PHE HA 5.000 3.700 5.000 4.646 3.774 4.840 . 0 0 "[ . 1 . ]" 4
359 1 60 PHE QD 1 91 VAL HB 5.000 3.700 5.000 4.106 3.143 4.963 0.557 13 1 "[ . 1 + . ]" 4
360 1 60 PHE QE 1 91 VAL HA 3.700 2.900 3.700 3.477 2.628 4.572 0.872 3 2 "[ + - 1 . ]" 4
361 1 60 PHE QD 1 91 VAL HA 3.700 2.900 3.700 2.799 2.119 3.843 0.781 7 6 "[* ** + 1- * . ]" 4
362 1 52 SER HA 1 55 GLY QA 3.700 2.900 3.700 3.685 3.474 3.881 0.181 9 0 "[ . 1 . ]" 4
363 1 73 THR MG 1 77 ASN HB3 5.000 3.700 5.000 4.789 4.744 4.885 . 0 0 "[ . 1 . ]" 4
364 1 73 THR MG 1 77 ASN HB2 5.000 3.700 5.000 3.856 3.726 4.344 . 0 0 "[ . 1 . ]" 4
365 1 13 ASN QB 1 174 VAL QG 3.700 2.900 3.700 2.411 1.999 2.946 0.901 12 10 "[****. ** 1*+* . -]" 4
366 1 4 TRP HZ2 1 83 VAL H 5.000 3.700 5.000 4.825 4.398 5.056 0.056 7 0 "[ . 1 . ]" 4
367 1 99 PHE H 1 150 PHE QE 5.000 3.700 5.000 4.553 4.084 4.929 . 0 0 "[ . 1 . ]" 4
368 1 116 TYR QE 1 134 PHE H 2.900 . 2.900 2.894 2.653 3.587 0.687 2 1 "[ + . 1 . ]" 4
369 1 116 TYR QD 1 134 PHE H 5.000 3.700 5.000 3.831 3.532 4.338 0.168 3 0 "[ . 1 . ]" 4
370 1 121 GLY QA 1 125 LEU QB 5.000 3.700 5.000 3.931 3.301 4.908 0.399 6 0 "[ . 1 . ]" 4
371 1 85 ASN HA 1 86 PRO HD3 2.900 . 2.900 2.634 2.507 2.867 . 0 0 "[ . 1 . ]" 4
372 1 85 ASN HA 1 86 PRO HD2 2.900 . 2.900 2.179 2.132 2.260 . 0 0 "[ . 1 . ]" 4
373 1 86 PRO HB2 1 87 GLU H 5.000 3.700 5.000 3.731 3.582 3.840 0.118 3 0 "[ . 1 . ]" 4
374 1 86 PRO HG3 1 87 GLU H 5.000 3.700 5.000 4.339 4.203 4.410 . 0 0 "[ . 1 . ]" 4
375 1 95 PRO HB3 1 99 PHE QE 3.700 2.900 3.700 3.119 2.582 4.243 0.543 9 1 "[ . +1 . ]" 4
376 1 95 PRO HB2 1 99 PHE QE 3.700 2.900 3.700 2.828 2.375 4.024 0.525 17 1 "[ . 1 . +]" 4
377 1 94 GLY H 1 95 PRO QD 2.900 . 2.900 2.855 2.632 2.990 0.090 6 0 "[ . 1 . ]" 4
378 1 97 PRO HA 1 98 LEU H 3.700 2.900 3.700 3.554 3.497 3.668 . 0 0 "[ . 1 . ]" 4
379 1 4 TRP HA 1 161 ASP HA 5.000 3.700 5.000 4.513 3.643 5.044 0.057 12 0 "[ . 1 . ]" 4
380 1 7 LYS HA 1 157 PHE QE 3.700 2.900 3.700 3.164 2.819 3.555 0.081 13 0 "[ . 1 . ]" 4
381 1 7 LYS HA 1 157 PHE HZ 3.700 2.900 3.700 3.273 2.884 3.710 0.016 14 0 "[ . 1 . ]" 4
382 1 7 LYS HA 1 173 LEU MD2 2.900 . 2.900 2.792 2.509 3.272 0.372 5 0 "[ . 1 . ]" 4
383 1 8 MET HA 1 157 PHE QE 5.000 3.700 5.000 4.321 3.695 5.107 0.107 14 0 "[ . 1 . ]" 4
384 1 8 MET HA 1 157 PHE HZ 5.000 3.700 5.000 4.394 3.771 4.884 . 0 0 "[ . 1 . ]" 4
385 1 9 LYS HA 1 76 ILE MD 3.700 2.900 3.700 3.621 3.096 3.895 0.195 17 0 "[ . 1 . ]" 4
386 1 10 THR HA 1 174 VAL HA 5.500 4.000 5.500 5.222 3.940 5.659 0.159 9 0 "[ . 1 . ]" 4
387 1 10 THR HA 1 174 VAL QG 3.700 2.900 3.700 2.407 2.086 3.429 0.814 12 12 "[** *. *- 1*+*****]" 4
388 1 11 TYR HA 1 157 PHE HZ 5.000 3.700 5.000 4.378 3.781 4.741 . 0 0 "[ . 1 . ]" 4
389 1 12 PHE HA 1 23 ILE QG 5.000 3.700 5.000 3.674 3.474 4.075 0.226 10 0 "[ . 1 . ]" 4
390 1 16 ASP HA 1 19 LYS H 5.000 3.700 5.000 4.253 4.019 4.781 . 0 0 "[ . 1 . ]" 4
391 1 16 ASP HA 1 23 ILE HA 3.700 2.900 3.700 3.758 3.648 3.820 0.120 3 0 "[ . 1 . ]" 4
392 1 17 PHE HA 1 19 LYS H 5.000 3.700 5.000 3.874 3.680 4.304 0.020 3 0 "[ . 1 . ]" 4
393 1 23 ILE HA 1 70 ILE H 5.000 3.700 5.000 4.408 4.023 4.663 . 0 0 "[ . 1 . ]" 4
394 1 24 THR HA 1 57 TRP HE3 5.000 3.700 5.000 4.014 3.669 4.661 0.031 11 0 "[ . 1 . ]" 4
395 1 24 THR HA 1 57 TRP HZ2 5.000 3.700 5.000 3.900 3.693 4.293 0.007 4 0 "[ . 1 . ]" 4
396 1 24 THR HA 1 57 TRP HZ3 3.700 2.900 3.700 3.170 2.899 3.367 0.001 2 0 "[ . 1 . ]" 4
397 1 24 THR HA 1 57 TRP HH2 3.700 2.900 3.700 3.152 2.889 3.710 0.011 9 0 "[ . 1 . ]" 4
398 1 25 ARG HA 1 57 TRP HD1 5.000 3.700 5.000 4.154 3.708 4.527 . 0 0 "[ . 1 . ]" 4
399 1 29 GLU HA 1 54 THR MG 3.700 2.900 3.700 3.437 2.935 3.906 0.206 14 0 "[ . 1 . ]" 4
400 1 32 ALA HA 1 49 LEU HG 2.900 . 2.900 2.604 2.218 3.090 0.190 9 0 "[ . 1 . ]" 4
401 1 34 ARG HA 1 38 GLU H 5.000 3.700 5.000 3.830 3.621 4.228 0.079 15 0 "[ . 1 . ]" 4
402 1 35 PHE HA 1 38 GLU H 5.000 3.700 5.000 4.031 3.687 4.520 0.013 16 0 "[ . 1 . ]" 4
403 1 35 PHE HA 1 39 SER H 5.000 3.700 5.000 4.231 3.669 5.002 0.031 7 0 "[ . 1 . ]" 4
404 1 36 ALA HA 1 46 ALA MB 5.000 3.700 5.000 4.043 3.297 4.671 0.403 7 0 "[ . 1 . ]" 4
405 1 41 MET HA 1 105 THR HA 5.000 3.700 5.000 4.167 3.629 4.788 0.071 7 0 "[ . 1 . ]" 4
406 1 41 MET HA 1 105 THR HB 2.900 . 2.900 4.247 3.520 4.676 1.776 8 17 [******-+*********] 4
407 1 41 MET HA 1 106 ASN HA 5.000 3.700 5.000 4.611 3.874 5.031 0.031 5 0 "[ . 1 . ]" 4
408 1 49 LEU HA 1 102 ALA MB 3.700 2.900 3.700 3.231 2.648 3.744 0.252 14 0 "[ . 1 . ]" 4
409 1 52 SER HA 1 98 LEU HG 3.700 2.900 3.700 3.437 2.849 3.891 0.191 6 0 "[ . 1 . ]" 4
410 1 57 TRP HA 1 61 LEU H 2.900 . 2.900 2.893 2.750 2.983 0.083 11 0 "[ . 1 . ]" 4
411 1 57 TRP HA 1 61 LEU HG 3.700 2.900 3.700 3.594 2.828 3.804 0.104 10 0 "[ . 1 . ]" 4
412 1 57 TRP HA 1 62 THR H 3.700 2.900 3.700 3.305 3.017 3.729 0.029 8 0 "[ . 1 . ]" 4
413 1 57 TRP HA 1 62 THR HB 5.000 3.700 5.000 4.821 4.472 5.080 0.080 14 0 "[ . 1 . ]" 4
414 1 58 ASP HA 1 62 THR H 5.000 3.700 5.000 4.496 4.087 4.928 . 0 0 "[ . 1 . ]" 4
415 1 58 ASP HA 1 62 THR HB 2.900 . 2.900 3.438 3.167 3.567 0.667 3 12 "[- +** ***** * .**]" 4
416 1 58 ASP HA 1 62 THR MG 4.200 3.200 4.200 2.484 2.274 2.852 0.926 2 16 "[*+***** ***-*****]" 4
417 1 81 GLU HA 1 84 LYS H 5.000 3.700 5.000 3.887 3.694 4.112 0.006 9 0 "[ . 1 . ]" 4
418 1 79 MET HA 1 92 VAL QG 5.000 3.700 5.000 4.303 3.471 4.954 0.229 12 0 "[ . 1 . ]" 4
419 1 93 GLU HA 1 155 SER HA 5.000 3.700 5.000 4.331 3.676 5.007 0.024 3 0 "[ . 1 . ]" 4
420 1 93 GLU HA 1 158 PHE QE 5.000 3.700 5.000 3.986 3.017 5.681 0.683 10 3 "[ *. + .- ]" 4
421 1 93 GLU HA 1 158 PHE QD 3.700 2.900 3.700 3.287 2.372 4.534 0.834 4 4 "[*- +. * . ]" 4
422 1 96 LEU HA 1 150 PHE QD 5.000 3.700 5.000 4.291 3.248 5.082 0.452 16 0 "[ . 1 . ]" 4
423 1 97 PRO HA 1 147 LEU HG 5.000 3.700 5.000 4.797 4.503 5.039 0.039 15 0 "[ . 1 . ]" 4
424 1 97 PRO HA 1 147 LEU QD 2.900 . 2.900 2.271 2.005 2.662 . 0 0 "[ . 1 . ]" 4
425 1 97 PRO HA 1 150 PHE QD 5.000 3.700 5.000 4.422 3.494 4.902 0.206 10 0 "[ . 1 . ]" 4
426 1 97 PRO HA 1 151 VAL QG 5.000 3.700 5.000 3.311 2.732 3.984 0.968 3 6 "[- + . *** . *]" 4
427 1 100 PHE HA 1 104 ASP H 5.000 3.700 5.000 4.296 3.671 4.707 0.029 7 0 "[ . 1 . ]" 4
428 1 100 PHE HA 1 111 ILE MD 3.700 2.900 3.700 2.434 2.113 2.818 0.787 5 8 "[ *- + * * ** .* ]" 4
429 1 100 PHE HA 1 150 PHE QE 5.000 3.700 5.000 3.629 3.459 3.929 0.241 3 0 "[ . 1 . ]" 4
430 1 100 PHE HA 1 150 PHE HZ 5.000 3.700 5.000 3.947 3.708 4.225 . 0 0 "[ . 1 . ]" 4
431 1 103 VAL HA 1 104 ASP H 3.700 2.900 3.700 3.530 3.169 3.639 . 0 0 "[ . 1 . ]" 4
432 1 103 VAL HA 1 105 THR H 5.000 3.700 5.000 4.090 3.674 4.577 0.026 10 0 "[ . 1 . ]" 4
433 1 110 ASN HA 1 145 LEU H 5.000 3.700 5.000 4.484 4.041 4.908 . 0 0 "[ . 1 . ]" 4
434 1 110 ASN HA 1 147 LEU H 5.000 3.700 5.000 4.639 4.101 4.985 . 0 0 "[ . 1 . ]" 4
435 1 111 ILE HA 1 145 LEU H 5.000 3.700 5.000 4.558 4.433 4.855 . 0 0 "[ . 1 . ]" 4
436 1 112 SER HA 1 134 PHE QE 5.000 3.700 5.000 3.283 2.864 3.683 0.836 1 5 "[+ * . 1-* .* ]" 4
437 1 112 SER HA 1 134 PHE HZ 3.700 2.900 3.700 2.956 2.867 3.245 0.033 7 0 "[ . 1 . ]" 4
438 1 112 SER HA 1 144 LEU HG 5.000 3.700 5.000 4.804 4.242 5.067 0.067 9 0 "[ . 1 . ]" 4
439 1 119 PHE HA 1 123 LEU H 5.000 3.700 5.000 4.262 4.079 4.452 . 0 0 "[ . 1 . ]" 4
440 1 120 PHE HA 1 123 LEU HG 3.700 2.900 3.700 3.778 3.562 3.911 0.211 10 0 "[ . 1 . ]" 4
441 1 122 MET HA 1 124 GLY H 3.700 2.900 3.700 3.636 3.310 3.729 0.029 13 0 "[ . 1 . ]" 4
442 1 133 SER HA 1 168 VAL HB 5.000 3.700 5.000 4.907 4.227 5.089 0.089 5 0 "[ . 1 . ]" 4
443 1 133 SER HA 1 168 VAL QG 3.700 2.900 3.700 2.721 2.191 3.269 0.709 16 2 "[ .- 1 .+ ]" 4
444 1 134 PHE HA 1 145 LEU QD 3.700 2.900 3.700 2.649 2.265 2.900 0.635 1 1 "[+ . 1 . ]" 4
445 1 136 ALA HA 1 165 THR HB 3.700 2.900 3.700 4.490 3.347 5.442 1.742 5 11 "[**-*+** *1 * * *]" 4
446 1 137 ILE HA 1 153 ALA MB 3.700 2.900 3.700 2.947 2.249 3.628 0.651 1 3 "[+ .* 1 .- ]" 4
447 1 150 PHE HA 1 169 PHE HZ 3.700 2.900 3.700 3.407 2.925 3.714 0.014 10 0 "[ . 1 . ]" 4
448 1 156 ASP HA 1 160 ASN H 3.700 2.900 3.700 3.061 2.873 3.555 0.027 14 0 "[ . 1 . ]" 4
449 1 157 PHE HA 1 160 ASN H 5.000 3.700 5.000 4.546 3.964 4.978 . 0 0 "[ . 1 . ]" 4
450 1 157 PHE HA 1 167 LYS HA 3.700 2.900 3.700 3.294 2.862 3.766 0.066 11 0 "[ . 1 . ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 186
_Distance_constraint_stats_list.Viol_count 1378
_Distance_constraint_stats_list.Viol_total 979.104
_Distance_constraint_stats_list.Viol_max 1.989
_Distance_constraint_stats_list.Viol_rms 0.0865
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0182
_Distance_constraint_stats_list.Viol_average_violations_only 0.0418
_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 1 SER 0.344 0.041 14 0 "[ . 1 . ]"
1 2 ASP 0.184 0.028 17 0 "[ . 1 . ]"
1 3 LEU 0.314 0.035 12 0 "[ . 1 . ]"
1 4 TRP 0.415 0.079 14 0 "[ . 1 . ]"
1 5 VAL 0.550 0.041 14 0 "[ . 1 . ]"
1 6 GLN 0.379 0.074 11 0 "[ . 1 . ]"
1 7 LYS 2.214 0.122 6 0 "[ . 1 . ]"
1 8 MET 0.630 0.079 14 0 "[ . 1 . ]"
1 9 LYS 0.206 0.035 17 0 "[ . 1 . ]"
1 10 THR 0.824 0.075 9 0 "[ . 1 . ]"
1 11 TYR 2.098 0.127 5 0 "[ . 1 . ]"
1 12 PHE 0.742 0.081 12 0 "[ . 1 . ]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 14 ARG 0.629 0.075 9 0 "[ . 1 . ]"
1 15 ILE 0.306 0.127 5 0 "[ . 1 . ]"
1 16 ASP 16.727 1.565 10 9 "[ * *** -*+ * . *]"
1 17 PHE 0.107 0.038 5 0 "[ . 1 . ]"
1 18 ASP 1.197 0.193 4 0 "[ . 1 . ]"
1 19 LYS 0.228 0.047 17 0 "[ . 1 . ]"
1 20 ASP 1.851 0.193 4 0 "[ . 1 . ]"
1 21 GLY 15.972 1.565 10 9 "[ * *** -*+ * . *]"
1 22 ALA 0.654 0.059 3 0 "[ . 1 . ]"
1 23 ILE 0.031 0.014 5 0 "[ . 1 . ]"
1 24 THR 0.035 0.023 9 0 "[ . 1 . ]"
1 25 ARG 0.449 0.041 17 0 "[ . 1 . ]"
1 26 MET 0.115 0.024 9 0 "[ . 1 . ]"
1 27 ASP 0.063 0.023 9 0 "[ . 1 . ]"
1 28 PHE 0.235 0.023 7 0 "[ . 1 . ]"
1 29 GLU 0.933 0.067 1 0 "[ . 1 . ]"
1 30 SER 0.345 0.041 16 0 "[ . 1 . ]"
1 31 MET 0.082 0.016 6 0 "[ . 1 . ]"
1 32 ALA 0.463 0.044 1 0 "[ . 1 . ]"
1 33 GLU 0.562 0.067 1 0 "[ . 1 . ]"
1 34 ARG 0.835 0.164 15 0 "[ . 1 . ]"
1 35 PHE 0.054 0.016 6 0 "[ . 1 . ]"
1 36 ALA 0.228 0.044 1 0 "[ . 1 . ]"
1 37 LYS 0.078 0.032 17 0 "[ . 1 . ]"
1 38 GLU 0.605 0.164 15 0 "[ . 1 . ]"
1 42 LYS 1.130 0.261 14 0 "[ . 1 . ]"
1 45 HIS 1.355 0.261 14 0 "[ . 1 . ]"
1 46 ALA 0.127 0.044 14 0 "[ . 1 . ]"
1 47 LYS 0.045 0.015 9 0 "[ . 1 . ]"
1 48 VAL 0.355 0.094 1 0 "[ . 1 . ]"
1 49 LEU 0.491 0.046 15 0 "[ . 1 . ]"
1 50 MET 0.255 0.044 14 0 "[ . 1 . ]"
1 51 ASP 0.377 0.051 13 0 "[ . 1 . ]"
1 52 SER 0.355 0.094 1 0 "[ . 1 . ]"
1 53 LEU 0.266 0.044 14 0 "[ . 1 . ]"
1 54 THR 0.440 0.055 9 0 "[ . 1 . ]"
1 55 GLY 0.922 0.074 5 0 "[ . 1 . ]"
1 58 ASP 0.312 0.055 9 0 "[ . 1 . ]"
1 59 ASN 0.591 0.074 5 0 "[ . 1 . ]"
1 70 ILE 0.031 0.014 5 0 "[ . 1 . ]"
1 71 ASP 0.022 0.009 5 0 "[ . 1 . ]"
1 72 GLU 0.003 0.003 3 0 "[ . 1 . ]"
1 73 THR 0.236 0.070 17 0 "[ . 1 . ]"
1 74 THR 0.175 0.041 13 0 "[ . 1 . ]"
1 75 PHE 0.344 0.039 7 0 "[ . 1 . ]"
1 76 ILE 0.332 0.043 3 0 "[ . 1 . ]"
1 77 ASN 0.236 0.070 17 0 "[ . 1 . ]"
1 78 SER 0.558 0.067 4 0 "[ . 1 . ]"
1 79 MET 0.576 0.101 3 0 "[ . 1 . ]"
1 80 LYS 0.329 0.043 3 0 "[ . 1 . ]"
1 81 GLU 0.668 0.098 14 0 "[ . 1 . ]"
1 82 MET 0.382 0.067 4 0 "[ . 1 . ]"
1 83 VAL 0.254 0.101 3 0 "[ . 1 . ]"
1 84 LYS 0.668 0.098 14 0 "[ . 1 . ]"
1 88 ALA 1.115 0.087 14 0 "[ . 1 . ]"
1 89 LYS 0.561 0.063 5 0 "[ . 1 . ]"
1 90 SER 0.699 0.068 15 0 "[ . 1 . ]"
1 91 VAL 1.115 0.087 14 0 "[ . 1 . ]"
1 92 VAL 0.561 0.063 5 0 "[ . 1 . ]"
1 93 GLU 1.671 0.114 17 0 "[ . 1 . ]"
1 94 GLY 0.699 0.068 15 0 "[ . 1 . ]"
1 96 LEU 2.388 0.114 17 0 "[ . 1 . ]"
1 99 PHE 0.626 0.062 6 0 "[ . 1 . ]"
1 100 PHE 0.717 0.094 15 0 "[ . 1 . ]"
1 103 VAL 0.781 0.062 6 0 "[ . 1 . ]"
1 104 ASP 6.611 1.989 10 2 "[ . - + . ]"
1 105 THR 0.155 0.047 7 0 "[ . 1 . ]"
1 106 ASN 0.580 0.099 7 0 "[ . 1 . ]"
1 107 GLU 1.139 0.228 10 0 "[ . 1 . ]"
1 108 ASP 1.377 0.099 7 0 "[ . 1 . ]"
1 109 ASN 5.471 1.989 10 2 "[ . - + . ]"
1 110 ASN 0.797 0.073 15 0 "[ . 1 . ]"
1 111 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 112 SER 0.970 0.058 16 0 "[ . 1 . ]"
1 113 ARG 0.521 0.045 17 0 "[ . 1 . ]"
1 114 ASP 0.011 0.008 4 0 "[ . 1 . ]"
1 115 GLU 0.782 0.058 16 0 "[ . 1 . ]"
1 116 TYR 0.798 0.042 7 0 "[ . 1 . ]"
1 117 GLY 0.566 0.045 17 0 "[ . 1 . ]"
1 118 ILE 0.161 0.042 6 0 "[ . 1 . ]"
1 119 PHE 0.528 0.048 17 0 "[ . 1 . ]"
1 120 PHE 0.287 0.031 16 0 "[ . 1 . ]"
1 121 GLY 0.044 0.017 16 0 "[ . 1 . ]"
1 122 MET 0.150 0.042 6 0 "[ . 1 . ]"
1 123 LEU 0.205 0.027 1 0 "[ . 1 . ]"
1 126 ASP 1.078 0.093 6 0 "[ . 1 . ]"
1 127 LYS 0.827 0.070 17 0 "[ . 1 . ]"
1 129 MET 1.078 0.093 6 0 "[ . 1 . ]"
1 130 ALA 0.879 0.070 17 0 "[ . 1 . ]"
1 131 PRO 0.081 0.017 1 0 "[ . 1 . ]"
1 134 PHE 0.364 0.038 11 0 "[ . 1 . ]"
1 135 ASP 0.081 0.017 1 0 "[ . 1 . ]"
1 137 ILE 0.052 0.037 5 0 "[ . 1 . ]"
1 138 ASP 2.784 0.643 12 1 "[ . 1 + . ]"
1 139 THR 0.052 0.037 5 0 "[ . 1 . ]"
1 140 ASN 0.226 0.046 4 0 "[ . 1 . ]"
1 141 ASN 0.455 0.045 5 0 "[ . 1 . ]"
1 142 ASP 0.226 0.046 4 0 "[ . 1 . ]"
1 143 GLY 2.018 0.643 12 1 "[ . 1 + . ]"
1 145 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 146 SER 0.980 0.105 3 0 "[ . 1 . ]"
1 147 LEU 0.228 0.039 6 0 "[ . 1 . ]"
1 148 GLU 0.924 0.105 3 0 "[ . 1 . ]"
1 149 GLU 0.725 0.050 2 0 "[ . 1 . ]"
1 150 PHE 0.359 0.035 2 0 "[ . 1 . ]"
1 151 VAL 0.766 0.074 11 0 "[ . 1 . ]"
1 152 ILE 1.026 0.059 17 0 "[ . 1 . ]"
1 153 ALA 0.885 0.052 4 0 "[ . 1 . ]"
1 154 GLY 0.304 0.033 9 0 "[ . 1 . ]"
1 155 SER 0.684 0.074 11 0 "[ . 1 . ]"
1 156 ASP 1.237 0.185 13 0 "[ . 1 . ]"
1 157 PHE 0.455 0.052 4 0 "[ . 1 . ]"
1 158 PHE 0.078 0.033 9 0 "[ . 1 . ]"
1 159 MET 0.147 0.036 12 0 "[ . 1 . ]"
1 160 ASN 0.582 0.185 13 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 16 ASP OD2 1 21 GLY H . . 2.500 3.108 2.503 4.065 1.565 10 9 "[ * **- **+ * . *]" 5
2 1 16 ASP OD2 1 21 GLY N . 2.700 3.500 3.770 3.224 4.848 1.348 10 6 "[ * ** - + * . ]" 5
3 1 104 ASP OD2 1 109 ASN H . . 2.500 2.613 2.003 4.489 1.989 10 2 "[ . - + . ]" 5
4 1 104 ASP OD2 1 109 ASN N . 2.700 3.500 3.339 2.940 5.004 1.504 10 2 "[ . - + . ]" 5
5 1 138 ASP OD2 1 143 GLY H . . 2.500 2.439 1.994 3.143 0.643 12 1 "[ . 1 + . ]" 5
6 1 138 ASP OD2 1 143 GLY N . 2.700 3.500 3.219 2.910 3.760 0.260 12 0 "[ . 1 . ]" 5
7 1 18 ASP OD1 1 20 ASP H . . 2.500 2.552 2.342 2.693 0.193 4 0 "[ . 1 . ]" 5
8 1 18 ASP OD1 1 20 ASP N . 2.700 3.500 3.401 3.308 3.532 0.032 3 0 "[ . 1 . ]" 5
9 1 20 ASP OD1 1 22 ALA H . . 2.500 2.490 2.071 2.559 0.059 3 0 "[ . 1 . ]" 5
10 1 20 ASP OD1 1 22 ALA N . 2.700 3.500 3.243 2.993 3.365 . 0 0 "[ . 1 . ]" 5
11 1 106 ASN OD1 1 108 ASP H . . 2.500 2.534 2.492 2.599 0.099 7 0 "[ . 1 . ]" 5
12 1 106 ASN OD1 1 108 ASP N . 2.700 3.500 3.245 3.080 3.452 . 0 0 "[ . 1 . ]" 5
13 1 108 ASP OD1 1 110 ASN H . . 2.500 2.543 2.463 2.573 0.073 15 0 "[ . 1 . ]" 5
14 1 108 ASP OD1 1 110 ASN N . 2.700 3.500 3.232 3.097 3.442 . 0 0 "[ . 1 . ]" 5
15 1 140 ASN OD1 1 142 ASP H . . 2.500 2.420 1.967 2.546 0.046 4 0 "[ . 1 . ]" 5
16 1 140 ASN OD1 1 142 ASP N . 2.700 3.500 3.292 2.930 3.520 0.020 9 0 "[ . 1 . ]" 5
17 1 146 SER OG 1 148 GLU H . 2.500 3.500 2.909 2.746 3.105 . 0 0 "[ . 1 . ]" 5
18 1 146 SER OG 1 148 GLU N . 2.700 3.600 3.630 3.566 3.705 0.105 3 0 "[ . 1 . ]" 5
19 1 24 THR O 1 27 ASP H . . 2.500 2.435 2.279 2.523 0.023 9 0 "[ . 1 . ]" 5
20 1 24 THR O 1 27 ASP N . 2.700 3.500 3.249 3.079 3.363 . 0 0 "[ . 1 . ]" 5
21 1 112 SER O 1 115 GLU H . . 2.700 2.726 2.688 2.758 0.058 16 0 "[ . 1 . ]" 5
22 1 112 SER O 1 115 GLU N . 2.700 3.500 3.211 3.130 3.323 . 0 0 "[ . 1 . ]" 5
23 1 146 SER O 1 149 GLU H . . 2.900 2.915 2.908 2.923 0.023 7 0 "[ . 1 . ]" 5
24 1 146 SER O 1 149 GLU N . 2.700 3.500 3.434 3.367 3.520 0.020 12 0 "[ . 1 . ]" 5
25 1 16 ASP O 1 19 LYS H . . 2.500 2.478 2.314 2.547 0.047 17 0 "[ . 1 . ]" 5
26 1 16 ASP O 1 19 LYS N . 2.700 3.500 3.369 3.207 3.513 0.013 3 0 "[ . 1 . ]" 5
27 1 138 ASP O 1 141 ASN H . . 2.500 2.515 2.322 2.545 0.045 5 0 "[ . 1 . ]" 5
28 1 138 ASP O 1 141 ASN N . 2.700 3.500 3.382 3.142 3.514 0.014 17 0 "[ . 1 . ]" 5
29 1 1 SER O 1 5 VAL H . . 2.000 1.996 1.920 2.035 0.035 14 0 "[ . 1 . ]" 5
30 1 1 SER O 1 5 VAL N . 2.700 3.000 3.004 2.946 3.041 0.041 14 0 "[ . 1 . ]" 5
31 1 2 ASP O 1 6 GLN H . . 2.000 1.915 1.786 2.028 0.028 17 0 "[ . 1 . ]" 5
32 1 2 ASP O 1 6 GLN N . 2.700 3.000 2.911 2.797 3.025 0.025 1 0 "[ . 1 . ]" 5
33 1 3 LEU O 1 7 LYS N . 2.700 3.000 2.970 2.880 3.023 0.023 7 0 "[ . 1 . ]" 5
34 1 3 LEU O 1 7 LYS H . . 2.000 1.993 1.883 2.035 0.035 12 0 "[ . 1 . ]" 5
35 1 4 TRP O 1 8 MET H . . 2.200 2.133 1.978 2.247 0.047 14 0 "[ . 1 . ]" 5
36 1 4 TRP O 1 8 MET N . 2.700 3.200 3.147 2.980 3.279 0.079 14 0 "[ . 1 . ]" 5
37 1 5 VAL O 1 9 LYS N . 2.700 3.000 2.925 2.792 3.031 0.031 17 0 "[ . 1 . ]" 5
38 1 5 VAL O 1 9 LYS H . . 2.000 1.952 1.783 2.035 0.035 17 0 "[ . 1 . ]" 5
39 1 6 GLN O 1 10 THR H . . 2.000 1.960 1.795 2.074 0.074 11 0 "[ . 1 . ]" 5
40 1 6 GLN O 1 10 THR N . 2.700 3.000 2.878 2.769 2.996 . 0 0 "[ . 1 . ]" 5
41 1 7 LYS O 1 11 TYR N . 2.700 3.000 3.068 3.028 3.122 0.122 6 0 "[ . 1 . ]" 5
42 1 7 LYS O 1 11 TYR H . . 2.000 2.044 2.017 2.093 0.093 6 0 "[ . 1 . ]" 5
43 1 8 MET O 1 12 PHE H . . 2.000 1.988 1.866 2.043 0.043 4 0 "[ . 1 . ]" 5
44 1 8 MET O 1 12 PHE N . 2.700 3.000 2.919 2.783 3.001 0.001 3 0 "[ . 1 . ]" 5
45 1 9 LYS O 1 13 ASN N . 2.700 3.200 3.004 2.823 3.174 . 0 0 "[ . 1 . ]" 5
46 1 9 LYS O 1 13 ASN H . . 2.200 2.015 1.815 2.161 . 0 0 "[ . 1 . ]" 5
47 1 10 THR O 1 14 ARG H . . 2.000 1.995 1.850 2.040 0.040 9 0 "[ . 1 . ]" 5
48 1 10 THR O 1 14 ARG N . 2.700 3.000 2.992 2.877 3.075 0.075 9 0 "[ . 1 . ]" 5
49 1 11 TYR O 1 15 ILE N . 2.700 3.000 2.894 2.754 2.990 . 0 0 "[ . 1 . ]" 5
50 1 11 TYR O 1 15 ILE H . . 2.000 1.946 1.804 2.127 0.127 5 0 "[ . 1 . ]" 5
51 1 12 PHE O 1 16 ASP H . . 2.200 2.094 1.852 2.219 0.019 10 0 "[ . 1 . ]" 5
52 1 12 PHE O 1 16 ASP N . 2.700 3.000 3.004 2.832 3.081 0.081 12 0 "[ . 1 . ]" 5
53 1 15 ILE O 1 17 PHE H . . 2.000 1.903 1.786 2.038 0.038 5 0 "[ . 1 . ]" 5
54 1 15 ILE O 1 17 PHE N . 2.700 3.000 2.836 2.710 2.959 . 0 0 "[ . 1 . ]" 5
55 1 25 ARG O 1 29 GLU N . 2.700 3.000 3.016 2.970 3.041 0.041 17 0 "[ . 1 . ]" 5
56 1 25 ARG O 1 29 GLU H . . 2.000 2.003 1.943 2.020 0.020 17 0 "[ . 1 . ]" 5
57 1 26 MET O 1 30 SER H . . 2.000 1.927 1.782 2.024 0.024 9 0 "[ . 1 . ]" 5
58 1 26 MET O 1 30 SER N . 2.700 3.000 2.884 2.754 2.972 . 0 0 "[ . 1 . ]" 5
59 1 27 ASP O 1 31 MET N . 2.700 3.000 2.827 2.763 2.947 . 0 0 "[ . 1 . ]" 5
60 1 27 ASP O 1 31 MET H . . 2.000 1.830 1.792 1.919 0.008 14 0 "[ . 1 . ]" 5
61 1 28 PHE O 1 32 ALA H . . 2.000 1.996 1.914 2.023 0.023 7 0 "[ . 1 . ]" 5
62 1 28 PHE O 1 32 ALA N . 2.700 3.000 2.988 2.897 3.023 0.023 7 0 "[ . 1 . ]" 5
63 1 29 GLU O 1 33 GLU H . . 2.200 2.172 1.984 2.237 0.037 1 0 "[ . 1 . ]" 5
64 1 29 GLU O 1 33 GLU N . 2.700 3.200 3.188 2.976 3.267 0.067 1 0 "[ . 1 . ]" 5
65 1 30 SER O 1 34 ARG H . . 2.000 1.962 1.782 2.029 0.029 16 0 "[ . 1 . ]" 5
66 1 30 SER O 1 34 ARG N . 2.700 3.000 2.963 2.807 3.041 0.041 16 0 "[ . 1 . ]" 5
67 1 31 MET O 1 35 PHE H . . 2.000 1.888 1.785 2.016 0.016 6 0 "[ . 1 . ]" 5
68 1 31 MET O 1 35 PHE N . 2.700 3.000 2.860 2.734 3.004 0.004 6 0 "[ . 1 . ]" 5
69 1 32 ALA O 1 36 ALA H . . 2.000 1.960 1.849 2.028 0.028 1 0 "[ . 1 . ]" 5
70 1 32 ALA O 1 36 ALA N . 2.700 3.000 2.939 2.843 3.044 0.044 1 0 "[ . 1 . ]" 5
71 1 33 GLU O 1 37 LYS H . . 2.500 2.122 1.875 2.478 . 0 0 "[ . 1 . ]" 5
72 1 33 GLU O 1 37 LYS N . 2.700 3.200 3.067 2.878 3.232 0.032 17 0 "[ . 1 . ]" 5
73 1 34 ARG O 1 38 GLU H . . 2.200 2.185 1.973 2.364 0.164 15 0 "[ . 1 . ]" 5
74 1 34 ARG O 1 38 GLU N . 2.700 3.200 3.135 2.915 3.223 0.023 15 0 "[ . 1 . ]" 5
75 1 42 LYS O 1 45 HIS H . . 2.000 2.052 1.936 2.261 0.261 14 0 "[ . 1 . ]" 5
76 1 42 LYS O 1 45 HIS N . 2.700 3.000 2.973 2.856 3.043 0.043 6 0 "[ . 1 . ]" 5
77 1 45 HIS O 1 49 LEU H . . 2.000 1.921 1.773 2.031 0.031 15 0 "[ . 1 . ]" 5
78 1 45 HIS O 1 49 LEU N . 2.700 3.000 2.925 2.766 3.046 0.046 15 0 "[ . 1 . ]" 5
79 1 46 ALA O 1 50 MET H . . 2.300 2.219 1.875 2.325 0.025 7 0 "[ . 1 . ]" 5
80 1 46 ALA O 1 50 MET N . 2.700 3.300 3.197 2.876 3.344 0.044 14 0 "[ . 1 . ]" 5
81 1 47 LYS O 1 51 ASP H . . 2.000 1.867 1.785 1.966 0.015 9 0 "[ . 1 . ]" 5
82 1 47 LYS O 1 51 ASP N . 2.700 3.000 2.880 2.791 2.976 . 0 0 "[ . 1 . ]" 5
83 1 48 VAL O 1 52 SER H . . 2.000 2.000 1.805 2.094 0.094 1 0 "[ . 1 . ]" 5
84 1 48 VAL O 1 52 SER N . 2.700 3.000 2.961 2.783 3.020 0.020 6 0 "[ . 1 . ]" 5
85 1 49 LEU O 1 53 LEU H . . 2.000 1.985 1.785 2.040 0.040 2 0 "[ . 1 . ]" 5
86 1 49 LEU O 1 53 LEU N . 2.700 3.000 2.951 2.762 3.044 0.044 14 0 "[ . 1 . ]" 5
87 1 50 MET O 1 54 THR H . . 2.200 2.023 1.891 2.223 0.023 13 0 "[ . 1 . ]" 5
88 1 50 MET O 1 54 THR N . 2.700 3.000 2.968 2.850 3.025 0.025 15 0 "[ . 1 . ]" 5
89 1 51 ASP O 1 55 GLY H . . 2.000 2.016 1.954 2.051 0.051 13 0 "[ . 1 . ]" 5
90 1 51 ASP O 1 55 GLY N . 2.700 3.000 2.931 2.856 3.001 0.001 13 0 "[ . 1 . ]" 5
91 1 54 THR O 1 58 ASP N . 2.700 3.000 2.978 2.851 3.055 0.055 9 0 "[ . 1 . ]" 5
92 1 54 THR O 1 58 ASP H . . 2.000 1.963 1.835 2.030 0.030 9 0 "[ . 1 . ]" 5
93 1 55 GLY O 1 59 ASN H . . 2.000 2.034 2.005 2.074 0.074 5 0 "[ . 1 . ]" 5
94 1 55 GLY O 1 59 ASN N . 2.700 3.000 2.933 2.856 3.005 0.005 4 0 "[ . 1 . ]" 5
95 1 71 ASP O 1 75 PHE H . . 2.000 1.927 1.791 2.006 0.009 5 0 "[ . 1 . ]" 5
96 1 71 ASP O 1 75 PHE N . 2.700 3.000 2.922 2.786 3.004 0.004 15 0 "[ . 1 . ]" 5
97 1 72 GLU O 1 76 ILE H . . 2.200 1.975 1.827 2.203 0.003 3 0 "[ . 1 . ]" 5
98 1 72 GLU O 1 76 ILE N . 2.700 3.300 2.982 2.851 3.207 . 0 0 "[ . 1 . ]" 5
99 1 73 THR O 1 77 ASN H . . 2.000 1.823 1.730 1.981 0.070 17 0 "[ . 1 . ]" 5
100 1 73 THR O 1 77 ASN N . 2.700 3.000 2.817 2.705 2.983 . 0 0 "[ . 1 . ]" 5
101 1 74 THR O 1 78 SER N . 2.700 3.000 2.917 2.778 2.983 . 0 0 "[ . 1 . ]" 5
102 1 74 THR O 1 78 SER H . . 2.000 1.974 1.832 2.041 0.041 13 0 "[ . 1 . ]" 5
103 1 75 PHE O 1 79 MET H . . 2.000 1.992 1.875 2.039 0.039 7 0 "[ . 1 . ]" 5
104 1 75 PHE O 1 79 MET N . 2.700 3.000 2.980 2.848 3.023 0.023 7 0 "[ . 1 . ]" 5
105 1 76 ILE O 1 80 LYS N . 2.700 3.000 2.950 2.840 3.041 0.041 3 0 "[ . 1 . ]" 5
106 1 76 ILE O 1 80 LYS H . . 2.000 1.987 1.871 2.043 0.043 3 0 "[ . 1 . ]" 5
107 1 78 SER O 1 82 MET H . 2.200 3.000 2.235 2.133 2.567 0.067 4 0 "[ . 1 . ]" 5
108 1 78 SER O 1 82 MET N . 3.000 3.500 3.161 2.945 3.510 0.055 3 0 "[ . 1 . ]" 5
109 1 79 MET O 1 83 VAL H . . 2.200 2.120 1.801 2.301 0.101 3 0 "[ . 1 . ]" 5
110 1 79 MET O 1 83 VAL N . 2.700 3.200 3.085 2.826 3.215 0.015 4 0 "[ . 1 . ]" 5
111 1 81 GLU O 1 84 LYS H . . 2.400 2.304 2.233 2.492 0.092 3 0 "[ . 1 . ]" 5
112 1 81 GLU O 1 84 LYS N . 2.700 3.200 3.214 2.953 3.298 0.098 14 0 "[ . 1 . ]" 5
113 1 88 ALA O 1 91 VAL H . . 2.200 2.243 2.208 2.287 0.087 14 0 "[ . 1 . ]" 5
114 1 88 ALA O 1 91 VAL N . 2.700 3.200 3.214 3.106 3.261 0.061 15 0 "[ . 1 . ]" 5
115 1 89 LYS O 1 92 VAL H . . 2.200 2.154 2.052 2.214 0.014 6 0 "[ . 1 . ]" 5
116 1 89 LYS O 1 92 VAL N . 2.700 3.000 3.031 3.009 3.063 0.063 5 0 "[ . 1 . ]" 5
117 1 90 SER O 1 94 GLY H . . 2.000 2.039 2.005 2.068 0.068 15 0 "[ . 1 . ]" 5
118 1 90 SER O 1 94 GLY N . 2.700 3.000 2.952 2.807 3.017 0.017 3 0 "[ . 1 . ]" 5
119 1 93 GLU O 1 96 LEU H . . 2.000 2.046 2.023 2.078 0.078 17 0 "[ . 1 . ]" 5
120 1 93 GLU O 1 96 LEU N . 2.700 3.000 3.050 2.959 3.114 0.114 17 0 "[ . 1 . ]" 5
121 1 96 LEU O 1 100 PHE N . 2.700 3.000 2.991 2.806 3.094 0.094 15 0 "[ . 1 . ]" 5
122 1 96 LEU O 1 100 PHE H . . 2.000 1.998 1.810 2.068 0.068 15 0 "[ . 1 . ]" 5
123 1 99 PHE O 1 103 VAL H . . 2.000 2.001 1.827 2.044 0.044 6 0 "[ . 1 . ]" 5
124 1 99 PHE O 1 103 VAL N . 2.700 3.000 3.008 2.836 3.062 0.062 6 0 "[ . 1 . ]" 5
125 1 103 VAL O 1 105 THR H . . 2.200 1.912 1.777 2.247 0.047 7 0 "[ . 1 . ]" 5
126 1 103 VAL O 1 105 THR N . 2.700 3.000 2.787 2.683 2.902 0.017 6 0 "[ . 1 . ]" 5
127 1 104 ASP O 1 107 GLU H . . 2.200 2.111 2.028 2.216 0.016 10 0 "[ . 1 . ]" 5
128 1 104 ASP O 1 107 GLU N . 2.700 3.000 3.066 3.019 3.228 0.228 10 0 "[ . 1 . ]" 5
129 1 112 SER O 1 116 TYR H . . 2.000 2.004 1.985 2.019 0.019 14 0 "[ . 1 . ]" 5
130 1 112 SER O 1 116 TYR N . 2.700 3.000 3.024 3.002 3.042 0.042 7 0 "[ . 1 . ]" 5
131 1 113 ARG O 1 117 GLY H . . 2.000 2.028 2.009 2.045 0.045 17 0 "[ . 1 . ]" 5
132 1 113 ARG O 1 117 GLY N . 2.700 3.000 2.975 2.892 3.014 0.014 8 0 "[ . 1 . ]" 5
133 1 114 ASP O 1 118 ILE H . . 2.200 1.881 1.792 2.148 0.008 4 0 "[ . 1 . ]" 5
134 1 114 ASP O 1 118 ILE N . 2.700 3.200 2.863 2.779 3.128 . 0 0 "[ . 1 . ]" 5
135 1 115 GLU O 1 119 PHE H . . 2.200 2.009 1.825 2.069 . 0 0 "[ . 1 . ]" 5
136 1 115 GLU O 1 119 PHE N . 2.700 3.000 3.004 2.829 3.048 0.048 17 0 "[ . 1 . ]" 5
137 1 116 TYR O 1 120 PHE N . 2.700 3.000 2.996 2.893 3.031 0.031 16 0 "[ . 1 . ]" 5
138 1 116 TYR O 1 120 PHE H . . 2.000 1.993 1.900 2.023 0.023 12 0 "[ . 1 . ]" 5
139 1 117 GLY O 1 121 GLY H . . 2.000 1.939 1.855 2.003 0.003 15 0 "[ . 1 . ]" 5
140 1 117 GLY O 1 121 GLY N . 2.700 3.000 2.943 2.841 3.017 0.017 16 0 "[ . 1 . ]" 5
141 1 118 ILE O 1 122 MET N . 2.700 3.000 2.978 2.860 3.042 0.042 6 0 "[ . 1 . ]" 5
142 1 118 ILE O 1 122 MET H . . 2.200 1.981 1.856 2.073 . 0 0 "[ . 1 . ]" 5
143 1 119 PHE O 1 123 LEU H . . 2.200 2.172 1.941 2.227 0.027 1 0 "[ . 1 . ]" 5
144 1 119 PHE O 1 123 LEU N . 2.700 3.200 3.148 2.937 3.224 0.024 7 0 "[ . 1 . ]" 5
145 1 126 ASP O 1 129 MET H . . 2.000 2.036 2.009 2.064 0.064 6 0 "[ . 1 . ]" 5
146 1 126 ASP O 1 129 MET N . 2.700 3.000 3.025 2.966 3.093 0.093 6 0 "[ . 1 . ]" 5
147 1 127 LYS O 1 130 ALA H . . 2.200 2.248 2.218 2.270 0.070 17 0 "[ . 1 . ]" 5
148 1 127 LYS O 1 130 ALA N . 2.700 3.200 3.157 3.085 3.206 0.006 15 0 "[ . 1 . ]" 5
149 1 130 ALA O 1 134 PHE H . . 2.000 1.931 1.792 2.028 0.028 11 0 "[ . 1 . ]" 5
150 1 130 ALA O 1 134 PHE N . 2.700 3.000 2.915 2.806 2.998 . 0 0 "[ . 1 . ]" 5
151 1 131 PRO O 1 135 ASP N . 2.700 3.000 2.959 2.832 3.017 0.017 16 0 "[ . 1 . ]" 5
152 1 131 PRO O 1 135 ASP H . . 2.000 1.959 1.820 2.017 0.017 1 0 "[ . 1 . ]" 5
153 1 134 PHE O 1 138 ASP H . . 2.000 1.988 1.901 2.036 0.036 1 0 "[ . 1 . ]" 5
154 1 134 PHE O 1 138 ASP N . 2.700 3.000 2.986 2.916 3.038 0.038 11 0 "[ . 1 . ]" 5
155 1 137 ILE O 1 139 THR H . . 2.200 1.928 1.789 2.237 0.037 5 0 "[ . 1 . ]" 5
156 1 137 ILE O 1 139 THR N . 2.700 3.000 2.819 2.763 2.909 . 0 0 "[ . 1 . ]" 5
157 1 146 SER O 1 150 PHE H . . 2.200 2.150 1.964 2.220 0.020 2 0 "[ . 1 . ]" 5
158 1 146 SER O 1 150 PHE N . 2.700 3.200 3.149 2.955 3.235 0.035 2 0 "[ . 1 . ]" 5
159 1 147 LEU O 1 151 VAL H . . 2.000 1.923 1.797 2.020 0.020 6 0 "[ . 1 . ]" 5
160 1 147 LEU O 1 151 VAL N . 2.700 3.000 2.935 2.818 3.039 0.039 6 0 "[ . 1 . ]" 5
161 1 148 GLU O 1 152 ILE H . . 2.000 1.991 1.895 2.027 0.027 5 0 "[ . 1 . ]" 5
162 1 148 GLU O 1 152 ILE N . 2.700 3.000 2.996 2.897 3.041 0.041 5 0 "[ . 1 . ]" 5
163 1 149 GLU O 1 153 ALA N . 2.700 3.000 3.004 2.878 3.050 0.050 2 0 "[ . 1 . ]" 5
164 1 149 GLU O 1 153 ALA H . . 2.000 1.999 1.876 2.035 0.035 2 0 "[ . 1 . ]" 5
165 1 150 PHE O 1 154 GLY H . . 2.000 1.991 1.799 2.028 0.028 1 0 "[ . 1 . ]" 5
166 1 150 PHE O 1 154 GLY N . 2.700 3.000 2.963 2.803 3.017 0.017 3 0 "[ . 1 . ]" 5
167 1 151 VAL O 1 155 SER N . 2.700 3.000 2.971 2.872 3.042 0.042 11 0 "[ . 1 . ]" 5
168 1 151 VAL O 1 155 SER H . . 2.000 2.022 1.943 2.074 0.074 11 0 "[ . 1 . ]" 5
169 1 152 ILE O 1 156 ASP H . . 2.000 2.010 1.945 2.040 0.040 17 0 "[ . 1 . ]" 5
170 1 152 ILE O 1 156 ASP N . 2.700 3.000 3.014 2.925 3.059 0.059 17 0 "[ . 1 . ]" 5
171 1 153 ALA O 1 157 PHE N . 2.700 3.000 2.985 2.813 3.052 0.052 4 0 "[ . 1 . ]" 5
172 1 153 ALA O 1 157 PHE H . . 2.000 1.988 1.794 2.047 0.047 15 0 "[ . 1 . ]" 5
173 1 154 GLY O 1 158 PHE H . . 2.200 2.029 1.852 2.214 0.014 9 0 "[ . 1 . ]" 5
174 1 154 GLY O 1 158 PHE N . 2.700 3.200 3.040 2.866 3.233 0.033 9 0 "[ . 1 . ]" 5
175 1 155 SER O 1 159 MET N . 2.700 3.000 2.924 2.780 3.024 0.024 3 0 "[ . 1 . ]" 5
176 1 155 SER O 1 159 MET H . . 2.000 1.939 1.776 2.036 0.036 12 0 "[ . 1 . ]" 5
177 1 156 ASP O 1 160 ASN H . . 2.000 2.002 1.795 2.185 0.185 13 0 "[ . 1 . ]" 5
178 1 156 ASP O 1 160 ASN N . 2.700 3.000 2.916 2.803 3.022 0.022 16 0 "[ . 1 . ]" 5
179 1 23 ILE O 1 70 ILE N . 2.500 3.300 2.958 2.795 3.219 . 0 0 "[ . 1 . ]" 5
180 1 23 ILE O 1 70 ILE H . . 2.300 2.061 1.798 2.314 0.014 5 0 "[ . 1 . ]" 5
181 1 23 ILE N 1 70 ILE O . 2.500 3.300 2.898 2.773 3.096 . 0 0 "[ . 1 . ]" 5
182 1 23 ILE H 1 70 ILE O . . 2.300 1.899 1.792 2.187 0.008 15 0 "[ . 1 . ]" 5
183 1 111 ILE H 1 145 LEU O . . 2.300 1.953 1.805 2.132 . 0 0 "[ . 1 . ]" 5
184 1 111 ILE N 1 145 LEU O . 2.500 3.300 2.974 2.833 3.115 . 0 0 "[ . 1 . ]" 5
185 1 111 ILE O 1 145 LEU H . . 2.300 1.897 1.789 2.058 . 0 0 "[ . 1 . ]" 5
186 1 111 ILE O 1 145 LEU N . 2.500 3.300 2.865 2.799 3.033 . 0 0 "[ . 1 . ]" 5
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