Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484783 | 2jqg RC | 15278 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jqg
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 1191
_Distance_constraint_stats_list.Viol_count 1698
_Distance_constraint_stats_list.Viol_total 2903.193
_Distance_constraint_stats_list.Viol_max 2.312
_Distance_constraint_stats_list.Viol_rms 0.2399
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0975
_Distance_constraint_stats_list.Viol_average_violations_only 0.3420
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LEU 28.501 1.906 1 5 [+*-**]
1 4 THR 1.238 0.323 2 0 "[ .]"
1 5 LEU 10.818 1.440 2 5 [*+-**]
1 6 TYR 10.749 1.052 3 5 [*-+**]
1 7 ASN 11.191 0.867 1 5 [+-***]
1 8 GLY 9.500 1.430 3 5 [*-+**]
1 9 GLU 6.573 0.679 1 3 "[+*- .]"
1 10 LYS 4.818 1.440 2 2 "[ + -.]"
1 11 LYS 0.743 0.284 1 0 "[ .]"
1 12 THR 5.019 0.714 2 4 "[*+ -*]"
1 13 PHE 20.199 1.906 1 5 [+****]
1 14 TYR 5.526 1.500 5 2 "[ - +]"
1 15 SER 4.834 1.195 3 3 "[ +**]"
1 16 ARG 6.109 1.500 5 3 "[ *-+]"
1 18 ASN 4.922 1.435 5 3 "[ -*+]"
1 19 ASN 3.667 0.483 1 0 "[ .]"
1 20 HIS 1.093 0.474 4 0 "[ .]"
1 21 ASP 2.834 0.474 4 0 "[ .]"
1 22 ASN 3.948 0.837 1 2 "[+ - .]"
1 23 ALA 7.621 0.735 2 5 [*+**-]
1 24 TRP 9.444 0.735 2 5 [*+**-]
1 25 LEU 18.159 1.651 3 5 [**+-*]
1 26 ASN 1.042 0.291 3 0 "[ .]"
1 27 ALA 2.234 0.491 5 0 "[ .]"
1 28 ILE 13.831 1.210 4 5 [**-+*]
1 29 LEU 19.083 1.483 4 5 [*-*+*]
1 30 GLN 0.218 0.102 2 0 "[ .]"
1 31 LEU 2.272 0.346 5 0 "[ .]"
1 32 PHE 1.450 0.593 5 1 "[ +]"
1 33 ARG 3.667 0.784 2 1 "[ + .]"
1 34 TYR 1.901 0.380 4 0 "[ .]"
1 35 VAL 4.980 0.463 2 0 "[ .]"
1 36 GLU 0.880 0.216 1 0 "[ .]"
1 37 GLU 2.976 0.587 1 2 "[+ - .]"
1 39 PHE 1.173 0.587 1 2 "[+ - .]"
1 40 PHE 4.656 0.796 2 2 "[ + -]"
1 41 ASP 1.349 0.417 1 0 "[ .]"
1 42 TRP 1.626 0.461 5 0 "[ .]"
1 43 VAL 20.514 1.483 4 5 [*-*+*]
1 44 TYR 5.306 0.930 2 4 "[*+- *]"
1 45 SER 4.443 0.550 4 1 "[ +.]"
1 46 SER 0.217 0.217 2 0 "[ .]"
1 50 LEU 3.771 0.811 2 1 "[ + .]"
1 51 THR 11.826 1.341 4 5 [**-+*]
1 52 LEU 13.136 1.341 4 5 [***+-]
1 53 GLU 7.884 0.818 4 5 [***+-]
1 54 ALA 8.856 0.688 1 4 [+-**.]
1 55 ILE 18.687 1.651 3 5 [*-+**]
1 56 LYS 0.418 0.155 3 0 "[ .]"
1 57 GLN 1.643 0.238 2 0 "[ .]"
1 58 LEU 3.580 0.639 5 4 "[* **+]"
1 59 GLU 5.474 1.851 5 2 "[- +]"
1 61 LEU 9.116 1.228 3 1 "[ + .]"
1 62 THR 18.412 1.209 5 5 [*-**+]
1 63 GLY 1.431 0.767 5 1 "[ +]"
1 64 LEU 0.489 0.131 1 0 "[ .]"
1 65 GLU 0.826 0.411 2 0 "[ .]"
1 66 LEU 20.043 1.851 5 5 [****+]
1 67 HIS 4.933 0.720 1 2 "[+ -]"
1 68 GLU 0.000 0.000 . 0 "[ .]"
1 69 GLY 4.778 1.037 4 3 "[ *-+.]"
1 70 GLY 0.000 0.000 . 0 "[ .]"
1 72 PRO 0.000 0.000 . 0 "[ .]"
1 73 ALA 5.244 0.592 5 4 "[- **+]"
1 74 LEU 2.239 0.568 3 4 "[- +**]"
1 75 VAL 15.673 1.209 5 5 [*-**+]
1 76 ILE 0.826 0.201 1 0 "[ .]"
1 77 TRP 3.966 0.592 5 1 "[ +]"
1 78 ASN 0.037 0.019 3 0 "[ .]"
1 79 ILE 3.279 1.031 4 2 "[ -+.]"
1 80 LYS 3.274 0.429 5 0 "[ .]"
1 81 HIS 10.197 1.155 4 4 "[ **+-]"
1 82 LEU 14.607 1.155 4 5 [*-*+*]
1 83 LEU 9.512 0.802 2 4 "[-+ **]"
1 84 HIS 11.551 1.022 3 5 [*-+**]
1 85 THR 12.993 1.022 3 5 [*-+**]
1 86 GLY 9.033 1.445 5 4 "[** -+]"
1 87 ILE 17.074 1.445 5 5 [*-**+]
1 88 GLY 4.568 0.890 2 5 [-+***]
1 89 THR 13.617 1.311 2 5 [-+***]
1 90 ALA 9.767 1.150 5 5 [**-*+]
1 91 SER 2.325 0.717 4 2 "[ -+.]"
1 92 ARG 0.000 0.000 . 0 "[ .]"
1 94 SER 1.780 0.306 2 0 "[ .]"
1 95 GLU 1.027 0.673 5 1 "[ +]"
1 96 VAL 14.879 1.048 3 5 [*-+**]
1 97 CYS 4.829 1.283 4 2 "[ -+.]"
1 98 VAL 23.913 2.312 5 5 [-***+]
1 99 VAL 12.770 1.349 1 5 [+**-*]
1 100 ASP 11.070 2.312 5 5 [***-+]
1 101 GLY 0.764 0.283 1 0 "[ .]"
1 102 THR 5.761 0.958 1 3 "[+ - *]"
1 103 ASP 0.712 0.179 4 0 "[ .]"
1 104 MET 0.475 0.179 4 0 "[ .]"
1 105 CYS 0.273 0.215 3 0 "[ .]"
1 106 LEU 9.576 1.237 2 2 "[ + -]"
1 107 ALA 0.356 0.215 3 0 "[ .]"
1 108 ASP 0.018 0.018 2 0 "[ .]"
1 109 PHE 4.777 1.031 3 2 "[ + -]"
1 110 HIS 11.656 1.220 3 5 [**+**]
1 111 ALA 12.425 1.118 3 5 [*-+**]
1 112 GLY 1.643 0.565 3 1 "[ + .]"
1 113 ILE 0.803 0.255 3 0 "[ .]"
1 114 PHE 4.902 0.929 1 2 "[+ *]"
1 115 LEU 1.054 0.281 2 0 "[ .]"
1 116 LYS 7.881 1.243 4 5 [*-*+*]
1 118 GLN 0.027 0.027 3 0 "[ .]"
1 119 GLU 0.027 0.027 3 0 "[ .]"
1 120 HIS 0.155 0.059 1 0 "[ .]"
1 121 ALA 1.346 0.207 2 0 "[ .]"
1 122 VAL 21.539 1.243 4 5 [*-*+*]
1 123 PHE 6.631 0.694 4 5 [*-*+*]
1 124 ALA 10.326 0.733 5 5 [*-**+]
1 125 CYS 23.446 1.520 1 5 [+***-]
1 126 VAL 25.453 1.220 3 5 [**+*-]
1 127 THR 9.738 0.668 2 2 "[ + -.]"
1 128 SER 1.040 0.334 2 0 "[ .]"
1 129 ASN 0.000 0.000 . 0 "[ .]"
1 130 GLY 12.645 1.520 1 5 [+**-*]
1 131 TRP 6.751 0.992 4 4 "[* *+-]"
1 132 TYR 4.017 0.650 3 3 "[*-+ .]"
1 133 ALA 10.935 1.417 1 4 "[+-* *]"
1 134 ILE 27.080 1.348 1 5 [+*-**]
1 135 ASP 3.988 0.447 3 0 "[ .]"
1 136 ASP 2.351 0.466 2 0 "[ .]"
1 137 GLU 4.213 1.435 5 2 "[ -+]"
1 138 ASP 2.578 0.447 3 0 "[ .]"
1 139 PHE 4.948 0.744 2 4 [*+-*.]
1 140 TYR 10.927 1.417 1 3 "[+* *]"
1 142 TRP 9.116 1.663 5 4 "[-* *+]"
1 143 THR 18.401 1.663 5 5 [*-**+]
1 145 ASP 4.228 1.290 5 4 "[*-* +]"
1 147 SER 1.459 0.567 1 1 "[+ .]"
1 148 ASP 9.414 1.737 1 5 [+****]
1 149 VAL 28.132 1.737 1 5 [+**-*]
1 150 LEU 9.631 1.078 5 5 [-***+]
1 151 VAL 4.123 0.824 4 2 "[ +*]"
1 152 PHE 6.891 1.283 4 3 "[ -*+.]"
1 153 VAL 18.419 1.118 3 5 [*-+**]
1 155 TYR 1.865 1.031 3 1 "[ + .]"
1 156 ASP 0.541 0.458 5 0 "[ .]"
1 157 GLN 0.033 0.033 3 0 "[ .]"
1 158 GLU 0.000 0.000 . 0 "[ .]"
1 162 GLY 0.011 0.011 5 0 "[ .]"
1 163 GLU 0.171 0.171 4 0 "[ .]"
1 165 LYS 0.157 0.139 2 0 "[ .]"
1 166 ALA 0.139 0.139 2 0 "[ .]"
1 167 LYS 0.000 0.000 . 0 "[ .]"
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 4 THR H 1 4 THR HB 2.300 . 4.100 3.163 2.407 3.699 . 0 0 "[ .]" 1
2 1 5 LEU H 1 5 LEU QB 2.300 . 4.100 3.107 2.935 3.228 . 0 0 "[ .]" 1
3 1 7 ASN H 1 7 ASN HA 2.300 . 4.100 2.947 2.902 2.982 . 0 0 "[ .]" 1
4 1 8 GLY QA 1 9 GLU H 2.300 . 4.100 2.811 2.697 2.965 . 0 0 "[ .]" 1
5 1 9 GLU H 1 9 GLU HB3 2.300 . 4.100 3.225 2.510 3.693 . 0 0 "[ .]" 1
6 1 12 THR H 1 12 THR HG1 2.300 . 4.100 3.109 2.385 3.324 . 0 0 "[ .]" 1
7 1 12 THR HG1 1 13 PHE H 2.300 . 4.100 2.857 2.794 2.982 . 0 0 "[ .]" 1
8 1 13 PHE HA 1 14 TYR H 2.300 . 4.100 2.333 2.177 2.451 . 0 0 "[ .]" 1
9 1 14 TYR HB3 1 15 SER H 2.300 . 4.100 2.779 2.326 3.338 . 0 0 "[ .]" 1
10 1 14 TYR HB2 1 15 SER H 2.300 . 4.100 3.876 3.568 4.246 0.146 1 0 "[ .]" 1
11 1 19 ASN HA 1 20 HIS H 2.300 . 4.100 2.374 2.174 2.698 . 0 0 "[ .]" 1
12 1 20 HIS HA 1 21 ASP H 2.300 . 4.100 3.222 2.838 3.532 . 0 0 "[ .]" 1
13 1 21 ASP H 1 21 ASP HB3 2.300 . 4.100 3.887 3.686 4.069 . 0 0 "[ .]" 1
14 1 21 ASP H 1 21 ASP HB2 2.300 . 4.100 3.633 2.823 4.139 0.039 2 0 "[ .]" 1
15 1 21 ASP H 1 22 ASN H 2.300 . 4.100 3.282 2.574 3.643 . 0 0 "[ .]" 1
16 1 24 TRP H 1 24 TRP HB3 2.300 . 4.100 3.565 3.553 3.581 . 0 0 "[ .]" 1
17 1 24 TRP H 1 24 TRP HE1 . 2.500 4.100 4.136 4.104 4.163 0.063 3 0 "[ .]" 1
18 1 26 ASN HA 1 27 ALA H 2.300 . 4.100 3.489 3.455 3.509 . 0 0 "[ .]" 1
19 1 31 LEU H 1 31 LEU QB 2.300 . 4.100 2.064 1.947 2.195 . 0 0 "[ .]" 1
20 1 33 ARG H 1 33 ARG HA 2.300 . 4.100 2.844 2.814 2.876 . 0 0 "[ .]" 1
21 1 36 GLU HA 1 37 GLU H 2.300 . 4.100 2.578 2.074 3.010 . 0 0 "[ .]" 1
22 1 42 TRP H 1 42 TRP HD1 2.300 . 4.100 2.657 2.244 3.138 . 0 0 "[ .]" 1
23 1 43 VAL H 1 43 VAL HB 2.300 . 4.100 2.302 2.178 2.478 . 0 0 "[ .]" 1
24 1 43 VAL H 1 43 VAL QG . 3.000 4.100 2.205 2.038 2.296 0.962 5 5 [*-**+] 1
25 1 45 SER H 1 45 SER QB 2.300 . 4.100 2.406 2.319 2.658 . 0 0 "[ .]" 1
26 1 45 SER H 1 46 SER H 2.300 . 4.100 2.631 2.522 2.672 . 0 0 "[ .]" 1
27 1 46 SER H 1 46 SER HA 2.300 . 4.100 2.953 2.921 3.002 . 0 0 "[ .]" 1
28 1 51 THR H 1 51 THR HB 2.300 . 4.100 2.472 1.994 2.740 . 0 0 "[ .]" 1
29 1 51 THR H 1 52 LEU HA 2.300 . 4.100 5.396 5.329 5.441 1.341 4 5 [-**+*] 1
30 1 53 GLU H 1 54 ALA H 2.300 . 4.100 2.589 2.516 2.650 . 0 0 "[ .]" 1
31 1 55 ILE H 1 55 ILE QG 2.300 . 4.100 1.706 1.563 1.817 0.237 3 0 "[ .]" 1
32 1 56 LYS H 1 56 LYS HA 2.300 . 4.100 2.818 2.806 2.824 . 0 0 "[ .]" 1
33 1 56 LYS H 1 57 GLN H 2.300 . 4.100 2.729 2.691 2.761 . 0 0 "[ .]" 1
34 1 57 GLN H 1 57 GLN HA 2.300 . 4.100 2.921 2.896 2.933 . 0 0 "[ .]" 1
35 1 57 GLN H 1 57 GLN HB3 2.300 . 4.100 2.507 2.485 2.555 . 0 0 "[ .]" 1
36 1 58 LEU H 1 58 LEU HA 2.300 . 4.100 2.835 2.798 2.871 . 0 0 "[ .]" 1
37 1 58 LEU H 1 58 LEU QD 2.300 . 4.100 3.441 3.325 3.497 . 0 0 "[ .]" 1
38 1 59 GLU H 1 59 GLU HA . 3.000 4.100 2.855 2.831 2.884 0.169 2 0 "[ .]" 1
39 1 61 LEU H 1 61 LEU HA 2.300 . 4.100 2.961 2.937 3.016 . 0 0 "[ .]" 1
40 1 61 LEU H 1 61 LEU QB 2.300 . 4.100 2.211 2.035 2.732 . 0 0 "[ .]" 1
41 1 61 LEU H 1 61 LEU HG . 3.000 4.100 4.083 2.774 4.428 0.328 2 0 "[ .]" 1
42 1 61 LEU H 1 62 THR H 2.300 . 4.100 2.456 2.331 2.602 . 0 0 "[ .]" 1
43 1 62 THR H 1 62 THR HG1 2.300 . 3.000 1.888 1.759 2.086 0.241 5 0 "[ .]" 1
44 1 62 THR H 1 63 GLY H 2.300 . 4.100 2.306 2.240 2.383 . 0 0 "[ .]" 1
45 1 63 GLY H 1 63 GLY HA3 2.300 . 4.100 2.891 2.869 2.921 . 0 0 "[ .]" 1
46 1 63 GLY H 1 64 LEU H 2.300 . 4.100 2.690 2.607 2.741 . 0 0 "[ .]" 1
47 1 64 LEU H 1 64 LEU HA 2.300 . 4.100 2.991 2.967 3.006 . 0 0 "[ .]" 1
48 1 64 LEU H 1 64 LEU HB2 2.300 . 4.100 3.507 3.438 3.620 . 0 0 "[ .]" 1
49 1 65 GLU HA 1 66 LEU H 2.300 . 4.100 2.264 2.184 2.363 . 0 0 "[ .]" 1
50 1 66 LEU H 1 67 HIS H 2.300 . 4.100 2.000 1.675 2.337 0.125 1 0 "[ .]" 1
51 1 68 GLU H 1 69 GLY H 2.300 . 4.100 2.402 2.063 2.738 . 0 0 "[ .]" 1
52 1 68 GLU HA 1 69 GLY H 2.300 . 4.100 3.153 2.980 3.479 . 0 0 "[ .]" 1
53 1 69 GLY H 1 69 GLY HA3 2.300 . 4.100 2.735 2.400 2.986 . 0 0 "[ .]" 1
54 1 73 ALA H 1 73 ALA HA 2.300 . 4.100 2.687 2.645 2.822 . 0 0 "[ .]" 1
55 1 73 ALA H 1 74 LEU H 2.300 . 4.100 3.445 2.708 3.649 . 0 0 "[ .]" 1
56 1 73 ALA MB 1 74 LEU H 2.300 . 3.000 3.309 2.305 3.568 0.568 3 4 "[- +**]" 1
57 1 74 LEU H 1 74 LEU QD 2.300 . 4.100 2.275 1.947 2.558 . 0 0 "[ .]" 1
58 1 74 LEU H 1 74 LEU HG 2.300 . 4.100 2.873 2.381 3.895 . 0 0 "[ .]" 1
59 1 74 LEU H 1 75 VAL H 2.300 . 4.100 3.189 2.739 3.371 . 0 0 "[ .]" 1
60 1 75 VAL H 1 75 VAL MG1 2.300 . 4.100 3.727 3.686 3.744 . 0 0 "[ .]" 1
61 1 77 TRP H 1 77 TRP HB3 2.300 . 4.100 2.795 2.561 3.409 . 0 0 "[ .]" 1
62 1 79 ILE H 1 80 LYS H 2.300 . 4.100 2.721 2.622 2.893 . 0 0 "[ .]" 1
63 1 82 LEU H 1 82 LEU QD . 3.000 3.000 1.944 1.862 2.085 1.138 5 5 [-***+] 1
64 1 82 LEU H 1 83 LEU H 2.300 . 4.100 1.841 1.712 2.225 0.088 5 0 "[ .]" 1
65 1 85 THR HG1 1 86 GLY H 2.300 . 4.100 2.040 1.614 2.545 0.186 5 0 "[ .]" 1
66 1 87 ILE H 1 87 ILE HB 2.300 . 4.100 2.401 2.148 2.532 . 0 0 "[ .]" 1
67 1 87 ILE H 1 87 ILE MG 2.300 . 4.100 3.708 3.599 3.769 . 0 0 "[ .]" 1
68 1 89 THR H 1 89 THR HG1 2.300 . 4.100 2.761 2.246 3.049 . 0 0 "[ .]" 1
69 1 89 THR HA 1 90 ALA H 2.300 . 4.100 2.535 2.278 2.725 . 0 0 "[ .]" 1
70 1 90 ALA H 1 90 ALA HA 2.300 . 4.100 2.837 2.805 2.862 . 0 0 "[ .]" 1
71 1 90 ALA MB 1 91 SER H . 3.000 4.100 2.600 2.283 2.840 0.717 4 2 "[ -+.]" 1
72 1 91 SER H 1 91 SER HA 2.300 . 4.100 2.914 2.877 2.975 . 0 0 "[ .]" 1
73 1 91 SER H 1 92 ARG H 2.300 . 4.100 2.474 2.243 2.607 . 0 0 "[ .]" 1
74 1 91 SER HA 1 92 ARG H 2.300 . 4.100 3.539 3.519 3.552 . 0 0 "[ .]" 1
75 1 92 ARG H 1 92 ARG HA 2.300 . 4.100 2.979 2.895 3.006 . 0 0 "[ .]" 1
76 1 94 SER H 1 94 SER HA . 3.000 4.100 2.979 2.933 3.001 0.067 5 0 "[ .]" 1
77 1 95 GLU H 1 95 GLU HA 2.300 . 4.100 2.863 2.842 2.921 . 0 0 "[ .]" 1
78 1 87 ILE MD 1 96 VAL H 2.300 . 4.100 2.550 2.074 2.819 . 0 0 "[ .]" 1
79 1 95 GLU H 1 96 VAL H 2.300 . 4.100 2.657 2.196 2.834 . 0 0 "[ .]" 1
80 1 96 VAL H 1 96 VAL HA 2.300 . 4.100 2.960 2.912 2.988 . 0 0 "[ .]" 1
81 1 97 CYS H 1 97 CYS HB3 . 3.000 4.100 2.941 2.550 3.906 0.450 2 0 "[ .]" 1
82 1 97 CYS HA 1 98 VAL H 2.300 . 4.100 2.213 2.149 2.267 . 0 0 "[ .]" 1
83 1 98 VAL H 1 98 VAL QG . 3.000 3.000 2.264 1.823 3.252 1.177 1 3 "[+-* .]" 1
84 1 98 VAL HA 1 99 VAL H 2.300 . 4.100 2.510 2.129 2.763 . 0 0 "[ .]" 1
85 1 98 VAL QG 1 99 VAL H . . 2.200 2.270 1.632 2.975 0.775 3 1 "[ + .]" 1
86 1 99 VAL QG 1 100 ASP H . 3.000 3.000 2.065 1.651 2.461 1.349 1 5 [+**-*] 1
87 1 100 ASP H 1 100 ASP HB2 2.300 . 4.100 2.755 2.219 3.586 . 0 0 "[ .]" 1
88 1 100 ASP H 1 101 GLY H 2.300 . 4.100 3.599 2.989 4.190 0.090 3 0 "[ .]" 1
89 1 101 GLY H 1 101 GLY HA3 2.300 . 4.100 2.888 2.806 2.982 . 0 0 "[ .]" 1
90 1 101 GLY H 1 101 GLY HA2 2.300 . 4.100 2.374 2.350 2.451 . 0 0 "[ .]" 1
91 1 90 ALA MB 1 102 THR H 2.300 . 4.100 3.414 3.084 3.573 . 0 0 "[ .]" 1
92 1 102 THR H 1 102 THR HG1 . 3.000 4.100 2.368 2.042 2.822 0.958 1 3 "[+ - *]" 1
93 1 103 ASP H 1 103 ASP HA 2.300 . 4.100 2.672 2.348 2.918 . 0 0 "[ .]" 1
94 1 106 LEU H 1 107 ALA H 2.300 . 4.100 3.323 2.709 4.182 0.082 5 0 "[ .]" 1
95 1 107 ALA MB 1 108 ASP H 2.300 . 4.100 2.985 2.550 3.372 . 0 0 "[ .]" 1
96 1 109 PHE H 1 109 PHE HA 2.300 . 4.100 2.946 2.871 2.976 . 0 0 "[ .]" 1
97 1 109 PHE H 1 110 HIS H 2.300 . 4.100 4.252 3.583 4.454 0.354 2 0 "[ .]" 1
98 1 109 PHE HA 1 110 HIS H 2.300 . 4.100 2.507 2.243 2.712 . 0 0 "[ .]" 1
99 1 111 ALA H 1 111 ALA HA 2.300 . 4.100 2.782 2.722 2.919 . 0 0 "[ .]" 1
100 1 111 ALA H 1 111 ALA MB 2.300 . 4.100 2.772 2.045 2.998 . 0 0 "[ .]" 1
101 1 112 GLY HA2 1 113 ILE H 2.300 . 4.100 2.654 2.573 2.752 . 0 0 "[ .]" 1
102 1 113 ILE H 1 113 ILE MG 2.300 . 4.100 3.725 3.499 3.795 . 0 0 "[ .]" 1
103 1 113 ILE HA 1 114 PHE H 2.300 . 4.100 2.188 2.167 2.203 . 0 0 "[ .]" 1
104 1 116 LYS H 1 116 LYS QB 2.300 . 4.100 2.302 2.242 2.337 . 0 0 "[ .]" 1
105 1 120 HIS H 1 120 HIS HB3 2.300 . 4.100 3.476 3.081 3.828 . 0 0 "[ .]" 1
106 1 120 HIS H 1 120 HIS HB2 2.300 . 4.100 2.674 2.570 2.873 . 0 0 "[ .]" 1
107 1 121 ALA H 1 121 ALA MB 2.300 . 3.000 2.103 2.008 2.157 . 0 0 "[ .]" 1
108 1 121 ALA MB 1 122 VAL H . 3.000 4.100 3.261 3.061 3.475 . 0 0 "[ .]" 1
109 1 122 VAL H 1 122 VAL QG . 3.000 3.000 1.999 1.857 2.135 1.143 5 5 [*-**+] 1
110 1 124 ALA H 1 124 ALA MB 2.300 . 4.100 2.430 2.312 2.625 . 0 0 "[ .]" 1
111 1 125 CYS H 1 125 CYS HA 2.300 . 4.100 2.830 2.771 2.860 . 0 0 "[ .]" 1
112 1 125 CYS HA 1 126 VAL H . 3.000 4.100 2.367 2.311 2.513 0.689 3 4 "[*-+ *]" 1
113 1 126 VAL H 1 126 VAL HB . 3.000 4.100 2.396 2.346 2.420 0.654 5 5 [***-+] 1
114 1 127 THR H 1 127 THR HG1 2.300 . 4.100 1.854 1.816 1.950 . 0 0 "[ .]" 1
115 1 127 THR HA 1 128 SER H . 3.000 4.100 2.801 2.666 2.883 0.334 2 0 "[ .]" 1
116 1 128 SER H 1 128 SER HA 2.300 . 4.100 2.868 2.841 2.884 . 0 0 "[ .]" 1
117 1 129 ASN H 1 129 ASN HA 2.300 . 4.100 2.985 2.961 3.002 . 0 0 "[ .]" 1
118 1 129 ASN H 1 129 ASN HB2 2.300 . 4.100 2.369 2.349 2.404 . 0 0 "[ .]" 1
119 1 129 ASN H 1 130 GLY H 2.300 . 4.100 2.417 2.291 2.516 . 0 0 "[ .]" 1
120 1 129 ASN HA 1 130 GLY H 2.300 . 4.100 3.350 3.277 3.452 . 0 0 "[ .]" 1
121 1 130 GLY H 1 130 GLY QA 2.300 . 4.100 2.345 2.289 2.387 . 0 0 "[ .]" 1
122 1 131 TRP H 1 131 TRP QB . 3.000 4.100 2.819 2.570 2.926 0.430 1 0 "[ .]" 1
123 1 132 TYR HA 1 133 ALA H . 3.000 4.100 2.508 2.350 2.773 0.650 3 3 "[*-+ .]" 1
124 1 133 ALA H 1 140 TYR H 2.300 . 4.100 2.606 1.898 3.194 . 0 0 "[ .]" 1
125 1 133 ALA HA 1 134 ILE H 2.300 . 4.100 2.190 2.149 2.251 . 0 0 "[ .]" 1
126 1 133 ALA MB 1 134 ILE H 2.300 . 4.100 3.124 2.890 3.479 . 0 0 "[ .]" 1
127 1 134 ILE H 1 134 ILE QG . 3.000 4.100 2.907 2.082 3.944 0.918 4 2 "[ -+.]" 1
128 1 134 ILE HA 1 135 ASP H 2.300 . 4.100 2.154 1.987 2.314 . 0 0 "[ .]" 1
129 1 135 ASP HB2 1 138 ASP H 2.300 . 4.100 4.052 3.575 4.326 0.226 1 0 "[ .]" 1
130 1 138 ASP H 1 138 ASP HA 2.300 . 4.100 2.945 2.900 3.003 . 0 0 "[ .]" 1
131 1 139 PHE H 1 139 PHE HB2 2.300 . 4.100 2.803 2.485 3.829 . 0 0 "[ .]" 1
132 1 139 PHE H 1 139 PHE QD 2.300 . 4.100 2.821 2.099 3.168 . 0 0 "[ .]" 1
133 1 140 TYR H 1 140 TYR HB3 2.300 . 4.100 3.217 3.117 3.357 . 0 0 "[ .]" 1
134 1 143 THR H 1 143 THR HG1 2.300 . 3.000 2.341 1.970 2.865 0.030 4 0 "[ .]" 1
135 1 145 ASP H 1 145 ASP HB2 2.300 . 4.100 2.671 2.028 3.839 . 0 0 "[ .]" 1
136 1 147 SER H 1 147 SER HA 2.300 . 4.100 2.892 2.865 2.919 . 0 0 "[ .]" 1
137 1 148 ASP H 1 148 ASP HA 2.300 . 4.100 3.007 2.994 3.016 . 0 0 "[ .]" 1
138 1 148 ASP H 1 148 ASP HB3 2.300 . 4.100 3.724 3.699 3.749 . 0 0 "[ .]" 1
139 1 148 ASP H 1 149 VAL H 2.300 . 4.100 2.049 1.930 2.167 . 0 0 "[ .]" 1
140 1 114 PHE QD 1 149 VAL H 2.300 . 4.100 3.801 3.535 4.046 . 0 0 "[ .]" 1
141 1 149 VAL H 1 149 VAL QG . . 2.200 1.671 1.602 1.739 0.398 2 0 "[ .]" 1
142 1 150 LEU H 1 150 LEU QD 2.300 . 4.100 3.024 2.713 3.227 . 0 0 "[ .]" 1
143 1 113 ILE HB 1 151 VAL H 2.300 . 4.100 4.028 3.597 4.355 0.255 3 0 "[ .]" 1
144 1 150 LEU H 1 151 VAL H 2.300 . 4.100 2.717 2.459 2.998 . 0 0 "[ .]" 1
145 1 151 VAL H 1 151 VAL MG1 2.300 . 4.100 2.299 2.101 2.490 . 0 0 "[ .]" 1
146 1 152 PHE HA 1 153 VAL H 2.300 . 4.100 2.480 2.371 2.590 . 0 0 "[ .]" 1
147 1 153 VAL H 1 153 VAL QG 2.300 . 4.100 2.894 2.658 3.068 . 0 0 "[ .]" 1
148 1 155 TYR H 1 155 TYR QD 2.300 . 4.100 2.390 1.898 2.840 . 0 0 "[ .]" 1
149 1 155 TYR HA 1 156 ASP H 2.300 . 4.100 3.016 2.540 3.535 . 0 0 "[ .]" 1
150 1 156 ASP H 1 156 ASP HA 2.300 . 4.100 2.716 2.357 2.993 . 0 0 "[ .]" 1
151 1 157 GLN H 1 157 GLN HA 2.300 . 4.100 2.980 2.947 3.002 . 0 0 "[ .]" 1
152 1 157 GLN H 1 157 GLN HB3 2.300 . 4.100 2.974 2.435 3.729 . 0 0 "[ .]" 1
153 1 157 GLN H 1 157 GLN HB2 2.300 . 4.100 2.634 2.372 3.023 . 0 0 "[ .]" 1
154 1 158 GLU H 1 158 GLU HB3 2.300 . 4.100 3.022 2.507 3.424 . 0 0 "[ .]" 1
155 1 166 ALA H 1 166 ALA HA 2.300 . 4.100 2.859 2.363 2.985 . 0 0 "[ .]" 1
156 1 167 LYS H 1 167 LYS HB3 2.300 . 4.100 3.131 2.616 3.840 . 0 0 "[ .]" 1
157 1 3 LEU H 1 3 LEU HA 2.500 . 4.500 2.982 2.960 3.011 . 0 0 "[ .]" 1
158 1 3 LEU H 1 3 LEU HB2 2.500 . 4.500 3.199 2.132 3.916 . 0 0 "[ .]" 1
159 1 3 LEU H 1 3 LEU QD . 3.000 4.500 2.080 1.810 2.780 1.190 4 4 "[ -*+*]" 1
160 1 3 LEU H 1 3 LEU HG . 3.000 4.500 3.077 2.708 3.933 0.292 3 0 "[ .]" 1
161 1 3 LEU H 1 4 THR H 2.500 2.500 4.500 4.491 4.430 4.567 0.067 2 0 "[ .]" 1
162 1 3 LEU H 1 13 PHE QD 2.500 2.500 4.500 2.988 2.561 3.658 . 0 0 "[ .]" 1
163 1 3 LEU HB3 1 4 THR H 2.500 . 4.500 3.626 2.535 4.106 . 0 0 "[ .]" 1
164 1 3 LEU HG 1 4 THR H 2.500 . 4.500 4.242 3.783 4.727 0.227 2 0 "[ .]" 1
165 1 5 LEU H 1 5 LEU QD 2.500 . 4.500 1.511 1.464 1.574 0.036 2 0 "[ .]" 1
166 1 5 LEU H 1 8 GLY QA . 4.000 4.500 4.385 4.074 4.580 0.080 2 0 "[ .]" 1
167 1 5 LEU H 1 10 LYS HA 2.500 . 4.500 3.935 3.651 4.267 . 0 0 "[ .]" 1
168 1 6 TYR H 1 6 TYR HA 2.500 . 4.500 2.708 2.646 2.778 . 0 0 "[ .]" 1
169 1 6 TYR H 1 6 TYR QB 2.500 . 4.500 2.283 2.089 2.839 . 0 0 "[ .]" 1
170 1 5 LEU QD 1 7 ASN H 2.500 2.500 4.500 2.591 2.116 3.566 0.384 3 0 "[ .]" 1
171 1 6 TYR HA 1 7 ASN H 2.500 2.500 4.500 3.692 3.604 3.759 . 0 0 "[ .]" 1
172 1 6 TYR H 1 7 ASN H . 4.000 4.500 3.398 3.344 3.437 0.656 5 5 [*-**+] 1
173 1 7 ASN H 1 7 ASN HB3 2.500 . 4.500 3.361 2.587 3.631 . 0 0 "[ .]" 1
174 1 7 ASN H 1 7 ASN HB2 2.500 . 4.500 2.567 2.226 3.539 . 0 0 "[ .]" 1
175 1 7 ASN HB3 1 8 GLY H 2.500 2.500 4.500 4.443 4.344 4.651 0.151 3 0 "[ .]" 1
176 1 7 ASN HB2 1 8 GLY H 2.500 2.500 4.500 4.332 3.890 4.467 . 0 0 "[ .]" 1
177 1 5 LEU QD 1 9 GLU H 2.500 2.500 4.500 2.646 1.821 3.767 0.679 1 2 "[+ - .]" 1
178 1 7 ASN H 1 9 GLU H . 4.000 4.500 4.348 3.949 4.632 0.132 5 0 "[ .]" 1
179 1 9 GLU H 1 10 LYS H 2.500 . 4.500 4.621 4.586 4.712 0.212 2 0 "[ .]" 1
180 1 9 GLU HB3 1 10 LYS H 2.500 . 4.500 2.768 1.831 4.102 . 0 0 "[ .]" 1
181 1 10 LYS H 1 10 LYS HA 2.500 . 4.500 2.877 2.727 3.004 . 0 0 "[ .]" 1
182 1 10 LYS H 1 11 LYS H 2.500 2.500 4.500 4.290 4.152 4.374 . 0 0 "[ .]" 1
183 1 3 LEU H 1 11 LYS H 2.500 2.500 4.500 3.412 2.879 3.852 . 0 0 "[ .]" 1
184 1 5 LEU QD 1 11 LYS H 2.500 . 4.500 3.256 2.900 4.261 . 0 0 "[ .]" 1
185 1 11 LYS H 1 11 LYS HA 2.500 . 4.500 2.991 2.954 3.022 . 0 0 "[ .]" 1
186 1 11 LYS H 1 12 THR H 2.500 2.500 4.500 4.284 4.226 4.348 . 0 0 "[ .]" 1
187 1 3 LEU H 1 13 PHE H 2.500 2.500 4.500 3.525 3.200 4.102 . 0 0 "[ .]" 1
188 1 12 THR HB 1 13 PHE H 2.500 . 4.500 4.507 4.423 4.552 0.052 2 0 "[ .]" 1
189 1 13 PHE H 1 13 PHE HB3 2.500 . 4.500 3.597 3.563 3.646 . 0 0 "[ .]" 1
190 1 13 PHE H 1 13 PHE HB2 2.500 . 4.500 2.656 2.293 3.868 . 0 0 "[ .]" 1
191 1 13 PHE H 1 13 PHE QD 2.500 . 4.500 2.057 1.842 2.278 . 0 0 "[ .]" 1
192 1 13 PHE HB3 1 14 TYR H 2.500 . 4.500 2.757 2.457 3.456 . 0 0 "[ .]" 1
193 1 13 PHE HB2 1 14 TYR H 2.500 2.500 4.500 3.424 2.350 3.838 0.150 3 0 "[ .]" 1
194 1 13 PHE QD 1 14 TYR H 2.500 2.500 4.500 4.022 3.765 4.296 . 0 0 "[ .]" 1
195 1 14 TYR H 1 14 TYR HA 2.500 2.500 4.500 2.949 2.874 2.976 . 0 0 "[ .]" 1
196 1 14 TYR H 1 14 TYR HB2 2.500 . 4.500 2.301 2.203 2.405 . 0 0 "[ .]" 1
197 1 14 TYR H 1 14 TYR QD 2.500 . 4.500 2.314 2.003 2.869 . 0 0 "[ .]" 1
198 1 14 TYR H 1 14 TYR QE 2.500 . 4.500 4.293 4.091 4.635 0.135 4 0 "[ .]" 1
199 1 14 TYR H 1 15 SER H 2.500 2.500 4.500 4.552 4.521 4.612 0.112 2 0 "[ .]" 1
200 1 15 SER H 1 16 ARG H . 4.000 4.500 3.762 2.805 4.514 1.195 3 2 "[ +-.]" 1
201 1 15 SER HB3 1 16 ARG H 2.500 . 4.500 2.970 1.917 4.080 . 0 0 "[ .]" 1
202 1 18 ASN H 1 18 ASN HA 2.500 . 4.500 2.938 2.846 2.979 . 0 0 "[ .]" 1
203 1 18 ASN H 1 18 ASN HB3 2.500 . 4.500 3.070 2.617 3.568 . 0 0 "[ .]" 1
204 1 18 ASN H 1 18 ASN HB2 2.500 . 4.500 2.366 2.231 2.655 . 0 0 "[ .]" 1
205 1 19 ASN H 1 19 ASN HA 2.500 . 4.500 3.015 2.998 3.027 . 0 0 "[ .]" 1
206 1 20 HIS H 1 21 ASP H 2.500 . 4.500 2.257 1.545 2.929 . 0 0 "[ .]" 1
207 1 21 ASP HB2 1 22 ASN H 2.500 . 4.500 4.215 3.815 4.474 . 0 0 "[ .]" 1
208 1 22 ASN H 1 23 ALA MB 2.500 2.500 3.000 3.279 3.130 3.540 0.540 3 1 "[ + .]" 1
209 1 22 ASN H 1 23 ALA H 2.500 . 4.500 1.769 1.622 2.121 . 0 0 "[ .]" 1
210 1 23 ALA H 1 23 ALA HA 2.500 . 4.500 2.846 2.829 2.864 . 0 0 "[ .]" 1
211 1 23 ALA H 1 24 TRP H 2.500 2.500 4.500 2.740 2.694 2.826 . 0 0 "[ .]" 1
212 1 23 ALA MB 1 24 TRP H . 3.000 4.500 2.335 2.265 2.483 0.735 2 5 [*+**-] 1
213 1 24 TRP H 1 24 TRP HA . 3.000 4.500 2.861 2.842 2.872 0.158 2 0 "[ .]" 1
214 1 24 TRP H 1 24 TRP HB2 2.500 . 4.500 2.635 2.544 2.819 . 0 0 "[ .]" 1
215 1 24 TRP H 1 121 ALA MB 2.500 2.500 4.500 2.906 2.722 3.126 . 0 0 "[ .]" 1
216 1 23 ALA HA 1 26 ASN H 2.500 2.500 4.500 3.036 2.944 3.116 . 0 0 "[ .]" 1
217 1 23 ALA MB 1 26 ASN H 2.500 2.500 4.500 4.207 4.129 4.284 . 0 0 "[ .]" 1
218 1 25 LEU QB 1 26 ASN H 2.500 2.500 4.500 2.640 2.516 2.799 . 0 0 "[ .]" 1
219 1 26 ASN H 1 26 ASN HA 2.500 . 4.500 2.803 2.757 2.838 . 0 0 "[ .]" 1
220 1 26 ASN H 1 26 ASN HB3 2.500 . 4.500 2.399 1.969 2.722 . 0 0 "[ .]" 1
221 1 26 ASN H 1 26 ASN HB2 2.500 . 4.500 2.612 2.183 3.308 . 0 0 "[ .]" 1
222 1 26 ASN H 1 27 ALA H 2.500 . 4.500 2.709 2.560 2.849 . 0 0 "[ .]" 1
223 1 26 ASN HB2 1 27 ALA H 2.500 . 4.500 3.963 3.675 4.253 . 0 0 "[ .]" 1
224 1 27 ALA H 1 28 ILE H 2.500 2.500 4.500 2.950 2.739 3.059 . 0 0 "[ .]" 1
225 1 27 ALA H 1 29 LEU H 2.500 2.500 4.500 3.703 3.575 3.986 . 0 0 "[ .]" 1
226 1 27 ALA MB 1 28 ILE H 2.500 . 4.500 2.008 1.778 2.268 . 0 0 "[ .]" 1
227 1 28 ILE H 1 28 ILE HA 2.500 . 4.500 2.869 2.827 2.951 . 0 0 "[ .]" 1
228 1 28 ILE H 1 28 ILE HB 2.500 . 4.500 3.143 1.920 3.635 . 0 0 "[ .]" 1
229 1 28 ILE H 1 28 ILE QG 2.500 . 4.500 2.409 1.554 3.357 . 0 0 "[ .]" 1
230 1 28 ILE H 1 28 ILE MG . . 2.200 2.463 1.600 3.410 1.210 4 2 "[- +.]" 1
231 1 28 ILE H 1 29 LEU H 2.500 2.500 4.500 2.558 2.404 2.719 0.096 2 0 "[ .]" 1
232 1 28 ILE MD 1 29 LEU H 2.500 2.500 4.500 3.400 1.899 3.901 0.601 2 1 "[ + .]" 1
233 1 29 LEU H 1 30 GLN H 2.500 2.500 4.500 3.012 2.873 3.149 . 0 0 "[ .]" 1
234 1 26 ASN HA 1 30 GLN H 2.500 2.500 4.500 2.845 2.398 3.566 0.102 2 0 "[ .]" 1
235 1 29 LEU QD 1 30 GLN H 2.500 2.500 4.500 3.462 2.809 3.684 . 0 0 "[ .]" 1
236 1 30 GLN H 1 31 LEU H 2.500 . 4.500 2.585 2.413 2.670 . 0 0 "[ .]" 1
237 1 31 LEU H 1 31 LEU HA 2.500 . 4.500 2.903 2.857 2.921 . 0 0 "[ .]" 1
238 1 31 LEU H 1 31 LEU QD 2.500 . 4.500 2.471 2.071 2.894 . 0 0 "[ .]" 1
239 1 31 LEU H 1 32 PHE H 2.500 . 4.500 2.465 2.371 2.548 . 0 0 "[ .]" 1
240 1 31 LEU QB 1 32 PHE H 2.500 2.500 4.500 2.584 2.471 2.667 0.029 4 0 "[ .]" 1
241 1 32 PHE H 1 32 PHE HA 2.500 . 4.500 2.856 2.829 2.891 . 0 0 "[ .]" 1
242 1 32 PHE H 1 32 PHE HB3 2.500 . 4.500 2.585 1.948 3.532 . 0 0 "[ .]" 1
243 1 32 PHE H 1 32 PHE HB2 2.500 . 4.500 2.896 2.245 3.296 . 0 0 "[ .]" 1
244 1 32 PHE H 1 32 PHE QD 2.500 . 4.500 3.163 2.617 3.498 . 0 0 "[ .]" 1
245 1 32 PHE H 1 33 ARG H 2.500 2.500 4.500 2.880 2.704 2.972 . 0 0 "[ .]" 1
246 1 32 PHE HA 1 33 ARG H 2.500 2.500 4.500 3.648 3.603 3.720 . 0 0 "[ .]" 1
247 1 32 PHE QD 1 33 ARG H 2.500 2.500 4.500 3.564 2.867 4.493 . 0 0 "[ .]" 1
248 1 33 ARG H 1 34 TYR H 2.500 . 4.500 3.039 2.825 3.223 . 0 0 "[ .]" 1
249 1 33 ARG HA 1 34 TYR H . 4.000 4.500 3.674 3.620 3.711 0.380 4 0 "[ .]" 1
250 1 34 TYR H 1 34 TYR QD 2.500 . 4.500 2.336 1.683 2.918 . 0 0 "[ .]" 1
251 1 34 TYR H 1 35 VAL H 2.500 . 4.500 2.699 2.538 2.899 . 0 0 "[ .]" 1
252 1 34 TYR QD 1 35 VAL H 2.500 . 4.500 3.049 2.267 4.164 . 0 0 "[ .]" 1
253 1 35 VAL H 1 35 VAL HA 2.500 . 4.500 2.918 2.903 2.941 . 0 0 "[ .]" 1
254 1 35 VAL H 1 35 VAL HB 2.500 . 4.500 2.295 2.175 2.607 . 0 0 "[ .]" 1
255 1 35 VAL H 1 36 GLU H 2.500 . 4.500 2.476 2.385 2.554 . 0 0 "[ .]" 1
256 1 35 VAL HA 1 36 GLU H 2.500 . 4.500 3.384 3.229 3.448 . 0 0 "[ .]" 1
257 1 35 VAL MG2 1 36 GLU H 2.500 . 4.500 4.017 3.942 4.146 . 0 0 "[ .]" 1
258 1 36 GLU H 1 37 GLU H 2.500 . 4.500 2.961 2.372 3.495 . 0 0 "[ .]" 1
259 1 37 GLU H 1 37 GLU HA 2.500 2.500 4.500 2.895 2.734 2.999 . 0 0 "[ .]" 1
260 1 39 PHE H 1 39 PHE HA 2.500 . 4.500 2.875 2.751 2.962 . 0 0 "[ .]" 1
261 1 39 PHE H 1 39 PHE HB3 2.500 . 4.500 2.982 2.523 3.552 . 0 0 "[ .]" 1
262 1 39 PHE H 1 39 PHE HB2 2.500 . 4.500 2.459 2.201 2.605 . 0 0 "[ .]" 1
263 1 39 PHE H 1 83 LEU QD 2.500 2.500 4.500 3.804 3.622 4.025 . 0 0 "[ .]" 1
264 1 39 PHE HA 1 40 PHE H 2.500 2.500 4.500 3.468 3.408 3.529 . 0 0 "[ .]" 1
265 1 39 PHE HB2 1 40 PHE H 2.500 2.500 4.500 3.557 2.820 4.064 . 0 0 "[ .]" 1
266 1 40 PHE H 1 40 PHE HA 2.500 . 4.500 2.852 2.725 2.980 . 0 0 "[ .]" 1
267 1 40 PHE H 1 40 PHE HB3 2.500 . 4.500 2.767 2.064 3.624 . 0 0 "[ .]" 1
268 1 40 PHE H 1 40 PHE HB2 2.500 2.500 4.500 3.074 2.391 3.490 0.109 5 0 "[ .]" 1
269 1 40 PHE H 1 41 ASP H 2.500 . 4.500 2.948 2.737 3.088 . 0 0 "[ .]" 1
270 1 40 PHE HA 1 41 ASP H 2.500 . 3.000 3.150 2.688 3.417 0.417 1 0 "[ .]" 1
271 1 41 ASP H 1 41 ASP HA 2.500 . 4.500 2.751 2.699 2.802 . 0 0 "[ .]" 1
272 1 41 ASP H 1 42 TRP H 2.500 2.500 4.500 3.004 2.800 3.172 . 0 0 "[ .]" 1
273 1 41 ASP QB 1 42 TRP H 2.500 . 4.500 2.644 2.563 2.724 . 0 0 "[ .]" 1
274 1 42 TRP H 1 42 TRP HA 2.500 . 4.500 2.847 2.830 2.874 . 0 0 "[ .]" 1
275 1 42 TRP H 1 42 TRP QB 2.500 . 4.500 2.152 2.134 2.183 . 0 0 "[ .]" 1
276 1 42 TRP H 1 43 VAL H 2.500 2.500 4.500 2.605 2.529 2.659 . 0 0 "[ .]" 1
277 1 29 LEU QD 1 43 VAL H 2.500 2.500 4.500 3.227 3.069 3.352 . 0 0 "[ .]" 1
278 1 42 TRP HA 1 43 VAL H 2.500 2.500 4.500 3.517 3.503 3.540 . 0 0 "[ .]" 1
279 1 42 TRP QB 1 43 VAL H 2.500 . 4.500 2.642 2.516 2.715 . 0 0 "[ .]" 1
280 1 43 VAL H 1 43 VAL HA 2.500 . 4.500 2.875 2.846 2.911 . 0 0 "[ .]" 1
281 1 43 VAL H 1 44 TYR H 2.500 . 4.500 2.990 2.905 3.147 . 0 0 "[ .]" 1
282 1 29 LEU QD 1 44 TYR H 2.500 2.500 4.500 2.394 2.010 2.958 0.490 3 0 "[ .]" 1
283 1 41 ASP HA 1 44 TYR H 2.500 2.500 4.500 3.964 3.606 4.502 0.002 2 0 "[ .]" 1
284 1 43 VAL HB 1 44 TYR H 2.500 . 4.500 2.015 1.935 2.098 . 0 0 "[ .]" 1
285 1 43 VAL QG 1 44 TYR H . 3.000 4.500 2.481 2.070 2.845 0.930 2 2 "[-+ .]" 1
286 1 44 TYR H 1 44 TYR HA 2.500 . 4.500 2.908 2.884 2.943 . 0 0 "[ .]" 1
287 1 44 TYR H 1 44 TYR HB3 2.500 . 4.500 2.974 2.111 3.538 . 0 0 "[ .]" 1
288 1 44 TYR H 1 44 TYR HB2 2.500 . 4.500 2.743 2.217 3.532 . 0 0 "[ .]" 1
289 1 44 TYR H 1 44 TYR QD 2.500 . 4.500 2.845 2.299 3.247 . 0 0 "[ .]" 1
290 1 44 TYR H 1 45 SER H 2.500 2.500 4.500 2.537 2.450 2.634 0.050 2 0 "[ .]" 1
291 1 44 TYR HA 1 45 SER H 2.500 2.500 4.500 3.502 3.468 3.556 . 0 0 "[ .]" 1
292 1 44 TYR HB3 1 45 SER H 2.500 . 4.500 3.570 3.396 3.650 . 0 0 "[ .]" 1
293 1 44 TYR HB2 1 45 SER H 2.500 2.500 4.500 3.276 2.607 4.132 . 0 0 "[ .]" 1
294 1 44 TYR QD 1 45 SER H 2.500 2.500 4.500 3.774 2.310 4.518 0.190 5 0 "[ .]" 1
295 1 45 SER H 1 45 SER HA 2.500 . 4.500 2.902 2.888 2.940 . 0 0 "[ .]" 1
296 1 44 TYR H 1 46 SER H . 4.000 4.500 4.024 3.783 4.150 0.217 2 0 "[ .]" 1
297 1 45 SER QB 1 46 SER H 2.500 . 4.500 3.000 2.898 3.112 . 0 0 "[ .]" 1
298 1 114 PHE QD 1 148 ASP H 2.500 2.500 4.500 3.188 2.804 3.442 . 0 0 "[ .]" 1
299 1 50 LEU H 1 50 LEU HA 2.500 2.500 4.500 2.747 2.348 3.008 0.152 2 0 "[ .]" 1
300 1 50 LEU H 1 50 LEU QB 2.500 2.500 4.500 2.550 2.140 3.073 0.360 4 0 "[ .]" 1
301 1 50 LEU H 1 50 LEU QD 2.500 2.500 4.500 2.788 1.980 3.173 0.520 2 1 "[ + .]" 1
302 1 50 LEU HA 1 51 THR H 2.500 . 4.500 2.804 2.497 3.090 . 0 0 "[ .]" 1
303 1 50 LEU H 1 51 THR H 2.500 2.500 4.500 3.147 2.538 4.658 0.158 2 0 "[ .]" 1
304 1 51 THR H 1 51 THR HA 2.500 . 4.500 2.824 2.802 2.842 . 0 0 "[ .]" 1
305 1 51 THR H 1 51 THR HG1 2.500 . 4.500 1.963 1.648 2.799 . 0 0 "[ .]" 1
306 1 51 THR HB 1 52 LEU H 2.500 2.500 4.500 3.653 3.279 3.755 . 0 0 "[ .]" 1
307 1 51 THR H 1 52 LEU H 2.500 . 4.500 2.853 2.743 2.913 . 0 0 "[ .]" 1
308 1 52 LEU H 1 52 LEU QD 2.500 . 4.500 2.210 1.911 2.513 . 0 0 "[ .]" 1
309 1 52 LEU HA 1 53 GLU H 2.500 2.500 4.500 3.651 3.642 3.658 . 0 0 "[ .]" 1
310 1 52 LEU QB 1 53 GLU H 2.500 . 4.500 3.028 2.518 3.201 . 0 0 "[ .]" 1
311 1 52 LEU QD 1 53 GLU H 2.500 2.500 4.500 2.149 1.769 2.481 0.731 1 2 "[+ -]" 1
312 1 53 GLU H 1 53 GLU HA 2.500 . 4.500 2.847 2.828 2.868 . 0 0 "[ .]" 1
313 1 53 GLU H 1 53 GLU HB2 2.500 . 4.500 2.364 2.353 2.371 . 0 0 "[ .]" 1
314 1 53 GLU H 1 53 GLU QG 2.500 . 4.500 2.796 1.974 3.905 . 0 0 "[ .]" 1
315 1 53 GLU HA 1 54 ALA H 2.500 2.500 4.500 3.508 3.493 3.521 . 0 0 "[ .]" 1
316 1 53 GLU HB2 1 54 ALA H 2.500 . 4.500 3.258 2.812 3.945 . 0 0 "[ .]" 1
317 1 53 GLU QG 1 54 ALA H 2.500 . 4.500 3.973 3.818 4.051 . 0 0 "[ .]" 1
318 1 54 ALA H 1 54 ALA HA 2.500 . 4.500 2.829 2.796 2.854 . 0 0 "[ .]" 1
319 1 54 ALA H 1 55 ILE QG 2.500 2.500 4.500 3.899 3.427 4.243 . 0 0 "[ .]" 1
320 1 25 LEU QD 1 55 ILE H 2.500 2.500 4.500 2.376 2.213 2.523 0.287 3 0 "[ .]" 1
321 1 52 LEU HA 1 55 ILE H 2.500 . 4.500 3.850 3.721 3.955 . 0 0 "[ .]" 1
322 1 54 ALA HA 1 55 ILE H 2.500 2.500 4.500 3.570 3.525 3.613 . 0 0 "[ .]" 1
323 1 54 ALA H 1 55 ILE H 2.500 . 4.500 2.840 2.676 2.963 . 0 0 "[ .]" 1
324 1 55 ILE H 1 55 ILE HA 2.500 . 4.500 2.947 2.938 2.957 . 0 0 "[ .]" 1
325 1 55 ILE H 1 55 ILE MD 2.500 . 4.500 2.472 1.916 3.269 . 0 0 "[ .]" 1
326 1 55 ILE H 1 55 ILE MG 2.500 . 4.500 3.231 2.913 3.479 . 0 0 "[ .]" 1
327 1 52 LEU HA 1 56 LYS H 2.500 2.500 4.500 3.724 3.175 4.182 . 0 0 "[ .]" 1
328 1 53 GLU HA 1 56 LYS H 2.500 2.500 4.500 3.873 3.597 4.256 . 0 0 "[ .]" 1
329 1 55 ILE MD 1 56 LYS H 2.500 . 4.500 2.977 2.277 3.966 . 0 0 "[ .]" 1
330 1 55 ILE QG 1 56 LYS H 2.500 2.500 4.500 3.120 2.345 3.652 0.155 3 0 "[ .]" 1
331 1 55 ILE MG 1 56 LYS H 2.500 2.500 4.500 4.102 4.071 4.149 . 0 0 "[ .]" 1
332 1 57 GLN H 1 58 LEU H 2.500 . 4.500 2.445 2.350 2.520 . 0 0 "[ .]" 1
333 1 55 ILE HA 1 58 LEU H 2.500 2.500 4.500 2.638 2.559 2.700 . 0 0 "[ .]" 1
334 1 56 LYS H 1 58 LEU H . 4.000 4.500 3.998 3.921 4.066 0.079 4 0 "[ .]" 1
335 1 57 GLN HB3 1 58 LEU H 2.500 . 4.500 2.484 2.360 2.590 . 0 0 "[ .]" 1
336 1 58 LEU H 1 59 GLU H 2.500 2.500 4.500 2.674 2.623 2.751 . 0 0 "[ .]" 1
337 1 61 LEU H 1 62 THR HG1 2.500 2.500 4.500 3.528 3.380 3.752 . 0 0 "[ .]" 1
338 1 61 LEU QB 1 62 THR H 2.500 2.500 4.500 2.351 2.309 2.419 0.191 2 0 "[ .]" 1
339 1 61 LEU QD 1 62 THR H 2.500 2.500 4.500 2.352 2.222 2.585 0.278 4 0 "[ .]" 1
340 1 62 THR H 1 62 THR HA 2.500 . 4.500 2.916 2.877 2.938 . 0 0 "[ .]" 1
341 1 62 THR H 1 62 THR HB 2.500 . 4.500 3.559 3.542 3.589 . 0 0 "[ .]" 1
342 1 61 LEU QB 1 63 GLY H . 4.000 4.500 4.194 4.146 4.316 . 0 0 "[ .]" 1
343 1 62 THR HA 1 63 GLY H 2.500 . 4.500 3.457 3.427 3.487 . 0 0 "[ .]" 1
344 1 62 THR HG1 1 63 GLY H . 3.000 4.500 2.846 2.233 3.267 0.767 5 1 "[ +]" 1
345 1 63 GLY H 1 64 LEU QD 2.500 2.500 4.500 3.330 3.023 3.488 . 0 0 "[ .]" 1
346 1 62 THR HA 1 64 LEU H 2.500 . 4.500 4.556 4.370 4.631 0.131 1 0 "[ .]" 1
347 1 63 GLY HA2 1 64 LEU H 2.500 . 4.500 3.040 2.983 3.070 . 0 0 "[ .]" 1
348 1 64 LEU H 1 66 LEU QD 2.500 2.500 4.500 3.843 3.356 4.040 . 0 0 "[ .]" 1
349 1 64 LEU H 1 65 GLU H 2.500 . 4.500 2.671 2.153 4.351 . 0 0 "[ .]" 1
350 1 65 GLU H 1 66 LEU QD 2.500 2.500 4.500 3.354 2.342 3.860 0.158 3 0 "[ .]" 1
351 1 65 GLU H 1 66 LEU H . 4.000 4.500 3.874 3.589 4.037 0.411 2 0 "[ .]" 1
352 1 66 LEU H 1 66 LEU HA 2.500 2.500 4.500 2.979 2.942 3.004 . 0 0 "[ .]" 1
353 1 66 LEU H 1 66 LEU QB 2.500 2.500 4.500 2.940 2.508 3.273 . 0 0 "[ .]" 1
354 1 66 LEU H 1 66 LEU QD . 3.000 4.500 2.424 1.673 2.997 1.327 1 2 "[+ - .]" 1
355 1 66 LEU QD 1 67 HIS H . 3.000 4.500 2.987 2.280 3.504 0.720 1 2 "[+ -]" 1
356 1 67 HIS HA 1 68 GLU H 2.500 . 4.500 3.512 3.483 3.532 . 0 0 "[ .]" 1
357 1 24 TRP HE1 1 69 GLY H 2.500 2.500 4.500 4.574 4.521 4.641 0.141 4 0 "[ .]" 1
358 1 67 HIS HA 1 69 GLY H 2.500 2.500 4.500 4.293 4.108 4.570 0.070 3 0 "[ .]" 1
359 1 69 GLY H 1 70 GLY H 2.500 2.500 4.500 3.829 3.573 4.123 . 0 0 "[ .]" 1
360 1 73 ALA HA 1 74 LEU H 2.500 2.500 4.500 2.733 2.516 3.543 . 0 0 "[ .]" 1
361 1 74 LEU H 1 74 LEU HA 2.500 . 4.500 2.425 2.315 2.829 . 0 0 "[ .]" 1
362 1 73 ALA MB 1 75 VAL H 2.500 2.500 4.500 2.942 2.555 4.236 . 0 0 "[ .]" 1
363 1 75 VAL H 1 75 VAL HA 2.500 . 4.500 2.870 2.858 2.894 . 0 0 "[ .]" 1
364 1 75 VAL H 1 76 ILE H 2.500 . 4.500 2.541 2.400 2.870 . 0 0 "[ .]" 1
365 1 75 VAL H 1 77 TRP H . 4.000 4.500 3.749 3.630 4.064 0.370 5 0 "[ .]" 1
366 1 75 VAL HB 1 76 ILE H 2.500 . 4.500 2.384 2.273 2.514 . 0 0 "[ .]" 1
367 1 76 ILE H 1 76 ILE HA 2.500 . 4.500 2.896 2.869 2.942 . 0 0 "[ .]" 1
368 1 76 ILE H 1 77 TRP H 2.500 2.500 4.500 2.548 2.441 2.684 0.059 3 0 "[ .]" 1
369 1 74 LEU HA 1 77 TRP H 2.500 . 4.500 2.360 1.860 3.352 . 0 0 "[ .]" 1
370 1 77 TRP H 1 77 TRP HA 2.500 . 4.500 2.878 2.840 2.896 . 0 0 "[ .]" 1
371 1 77 TRP H 1 78 ASN H 2.500 . 4.500 2.854 2.760 2.894 . 0 0 "[ .]" 1
372 1 62 THR HG1 1 78 ASN H 2.500 2.500 4.500 3.387 3.270 3.468 . 0 0 "[ .]" 1
373 1 77 TRP HA 1 78 ASN H 2.500 2.500 4.500 3.601 3.562 3.626 . 0 0 "[ .]" 1
374 1 77 TRP HB2 1 78 ASN H 2.500 . 4.500 3.588 2.916 3.794 . 0 0 "[ .]" 1
375 1 78 ASN H 1 78 ASN HA 2.500 . 4.500 2.921 2.907 2.936 . 0 0 "[ .]" 1
376 1 78 ASN H 1 78 ASN HD22 2.500 2.500 4.500 4.102 3.633 4.502 0.002 4 0 "[ .]" 1
377 1 78 ASN H 1 79 ILE H 2.500 . 4.500 2.540 2.443 2.614 . 0 0 "[ .]" 1
378 1 79 ILE H 1 79 ILE HA 2.500 . 4.500 2.917 2.855 2.966 . 0 0 "[ .]" 1
379 1 79 ILE H 1 79 ILE HB 2.500 . 4.500 2.592 1.950 3.433 . 0 0 "[ .]" 1
380 1 79 ILE H 1 79 ILE MD 2.500 . 4.500 3.302 2.372 3.599 . 0 0 "[ .]" 1
381 1 79 ILE H 1 79 ILE MG 2.500 . 4.500 3.436 2.725 3.728 . 0 0 "[ .]" 1
382 1 79 ILE HA 1 80 LYS H 2.500 2.500 4.500 3.269 3.054 3.450 . 0 0 "[ .]" 1
383 1 80 LYS H 1 80 LYS HA 2.500 . 4.500 2.690 2.672 2.702 . 0 0 "[ .]" 1
384 1 81 HIS H 1 81 HIS HA 2.500 . 4.500 2.859 2.804 2.927 . 0 0 "[ .]" 1
385 1 81 HIS H 1 81 HIS HB3 2.500 . 4.500 3.222 2.572 3.393 . 0 0 "[ .]" 1
386 1 81 HIS H 1 81 HIS HB2 2.500 . 4.500 2.348 2.032 3.552 . 0 0 "[ .]" 1
387 1 81 HIS H 1 82 LEU H 2.500 2.500 4.500 2.807 2.588 2.941 . 0 0 "[ .]" 1
388 1 81 HIS HA 1 82 LEU H 2.500 2.500 4.500 3.493 3.431 3.567 . 0 0 "[ .]" 1
389 1 82 LEU H 1 82 LEU HA 2.500 . 4.500 2.987 2.949 3.006 . 0 0 "[ .]" 1
390 1 82 LEU H 1 82 LEU QB 2.500 . 4.500 2.389 2.268 2.452 . 0 0 "[ .]" 1
391 1 80 LYS HA 1 83 LEU H 2.500 2.500 4.500 3.634 3.257 4.209 . 0 0 "[ .]" 1
392 1 82 LEU QD 1 83 LEU H 2.500 2.500 4.500 3.140 2.831 3.337 . 0 0 "[ .]" 1
393 1 83 LEU H 1 83 LEU HA 2.500 . 4.500 2.892 2.847 2.949 . 0 0 "[ .]" 1
394 1 83 LEU H 1 83 LEU HB2 2.500 . 4.500 2.269 2.005 2.676 . 0 0 "[ .]" 1
395 1 83 LEU H 1 83 LEU QD 2.500 . 4.500 3.115 2.833 3.366 . 0 0 "[ .]" 1
396 1 83 LEU HA 1 84 HIS H 2.500 . 4.500 2.962 2.250 3.482 . 0 0 "[ .]" 1
397 1 83 LEU QD 1 84 HIS H 2.500 2.500 4.500 2.148 1.698 3.067 0.802 2 3 "[ + -*]" 1
398 1 84 HIS H 1 84 HIS HA 2.500 . 4.500 2.732 2.530 3.008 . 0 0 "[ .]" 1
399 1 84 HIS H 1 84 HIS HB3 . 3.000 4.500 3.055 2.801 3.594 0.199 3 0 "[ .]" 1
400 1 84 HIS H 1 84 HIS HB2 . 3.000 4.500 2.842 2.495 3.743 0.505 2 1 "[ + .]" 1
401 1 84 HIS H 1 85 THR H 2.500 . 4.500 3.472 3.016 3.708 . 0 0 "[ .]" 1
402 1 83 LEU QD 1 85 THR H 2.500 2.500 4.500 2.821 2.009 3.644 0.491 4 0 "[ .]" 1
403 1 84 HIS HA 1 85 THR H 2.500 . 4.500 2.345 2.215 2.584 . 0 0 "[ .]" 1
404 1 84 HIS HB2 1 85 THR H 2.500 2.500 4.500 4.492 4.357 4.616 0.116 3 0 "[ .]" 1
405 1 85 THR H 1 85 THR HA 2.500 . 4.500 2.945 2.844 3.000 . 0 0 "[ .]" 1
406 1 85 THR H 1 85 THR HB 2.500 . 4.500 2.583 2.430 2.742 . 0 0 "[ .]" 1
407 1 85 THR H 1 85 THR HG1 2.500 2.500 4.500 2.225 1.645 3.149 0.855 1 3 "[+* -]" 1
408 1 86 GLY H 1 87 ILE H 2.500 2.500 4.500 4.151 3.374 4.442 . 0 0 "[ .]" 1
409 1 87 ILE H 1 87 ILE HA 2.500 . 4.500 2.968 2.950 2.985 . 0 0 "[ .]" 1
410 1 87 ILE H 1 87 ILE MD 2.500 . 4.500 2.986 2.589 3.458 . 0 0 "[ .]" 1
411 1 87 ILE MD 1 88 GLY H 2.500 . 4.500 3.559 3.197 3.713 . 0 0 "[ .]" 1
412 1 87 ILE MG 1 88 GLY H . 3.000 4.500 2.220 2.110 2.381 0.890 2 5 [-+***] 1
413 1 88 GLY H 1 88 GLY HA2 2.500 . 4.500 2.993 2.981 3.000 . 0 0 "[ .]" 1
414 1 88 GLY H 1 89 THR H 2.500 2.500 4.500 4.009 3.629 4.343 . 0 0 "[ .]" 1
415 1 88 GLY H 1 94 SER HB2 2.500 2.500 4.500 2.996 2.407 4.583 0.093 4 0 "[ .]" 1
416 1 88 GLY H 1 97 CYS HA 2.500 . 4.500 3.209 2.566 4.302 . 0 0 "[ .]" 1
417 1 89 THR H 1 89 THR HA . 3.000 4.500 2.915 2.830 2.956 0.170 4 0 "[ .]" 1
418 1 89 THR H 1 89 THR HB 2.500 2.500 4.500 2.919 2.614 3.751 . 0 0 "[ .]" 1
419 1 89 THR H 1 90 ALA MB 2.500 . 4.500 5.398 5.260 5.650 1.150 5 5 [***-+] 1
420 1 89 THR H 1 90 ALA H 2.500 . 4.500 4.380 4.253 4.562 0.062 5 0 "[ .]" 1
421 1 89 THR H 1 94 SER HB2 2.500 2.500 4.500 3.912 3.212 4.536 0.036 1 0 "[ .]" 1
422 1 89 THR H 1 94 SER H 2.500 2.500 4.500 4.292 3.511 4.806 0.306 2 0 "[ .]" 1
423 1 89 THR H 1 98 VAL QG 2.500 2.500 4.500 3.780 3.550 4.065 . 0 0 "[ .]" 1
424 1 89 THR HG1 1 90 ALA H 2.500 . 4.500 2.093 1.861 2.709 . 0 0 "[ .]" 1
425 1 90 ALA H 1 98 VAL QG 2.500 . 4.500 2.200 1.851 2.569 . 0 0 "[ .]" 1
426 1 89 THR HG1 1 91 SER H 2.500 2.500 4.500 2.743 2.316 3.560 0.184 5 0 "[ .]" 1
427 1 91 SER H 1 91 SER HB3 2.500 . 4.500 3.353 2.583 3.571 . 0 0 "[ .]" 1
428 1 91 SER H 1 91 SER HB2 2.500 . 4.500 2.689 2.400 3.614 . 0 0 "[ .]" 1
429 1 89 THR HG1 1 92 ARG H 2.500 . 4.500 3.240 2.573 3.734 . 0 0 "[ .]" 1
430 1 94 SER H 1 94 SER HB3 . 3.000 4.500 3.552 3.157 3.915 . 0 0 "[ .]" 1
431 1 94 SER H 1 94 SER HB2 2.500 . 4.500 2.684 2.459 2.841 . 0 0 "[ .]" 1
432 1 94 SER H 1 96 VAL H . 4.000 4.500 4.452 4.232 4.699 0.199 4 0 "[ .]" 1
433 1 94 SER HA 1 95 GLU H 2.500 . 4.500 2.884 2.758 3.111 . 0 0 "[ .]" 1
434 1 94 SER HB2 1 95 GLU H 2.500 . 4.500 3.377 2.654 3.863 . 0 0 "[ .]" 1
435 1 85 THR HG1 1 96 VAL H 2.500 . 4.500 3.515 3.243 3.744 . 0 0 "[ .]" 1
436 1 87 ILE HA 1 96 VAL H 2.500 . 4.500 2.779 2.093 4.302 . 0 0 "[ .]" 1
437 1 88 GLY H 1 96 VAL H 2.500 2.500 4.500 3.639 3.041 4.526 0.026 5 0 "[ .]" 1
438 1 94 SER HB2 1 96 VAL H 2.500 . 4.500 3.713 3.157 4.314 . 0 0 "[ .]" 1
439 1 95 GLU HA 1 96 VAL H 2.500 . 4.500 3.548 3.456 3.624 . 0 0 "[ .]" 1
440 1 96 VAL H 1 96 VAL QG . 3.000 4.500 2.128 1.952 2.244 1.048 3 5 [**+-*] 1
441 1 97 CYS H 1 97 CYS HA 2.500 . 4.500 2.936 2.709 2.998 . 0 0 "[ .]" 1
442 1 97 CYS H 1 153 VAL HA 2.500 . 4.500 2.962 2.419 4.557 0.057 4 0 "[ .]" 1
443 1 89 THR HA 1 98 VAL H . 3.000 4.500 2.697 2.497 3.183 0.503 1 1 "[+ .]" 1
444 1 89 THR HG1 1 98 VAL H 2.500 . 4.500 3.605 3.049 3.897 . 0 0 "[ .]" 1
445 1 98 VAL HB 1 99 VAL H 2.500 . 4.500 2.674 1.959 3.862 . 0 0 "[ .]" 1
446 1 99 VAL H 1 99 VAL HA 2.500 . 4.500 2.806 2.314 2.994 . 0 0 "[ .]" 1
447 1 99 VAL H 1 99 VAL HB 2.500 . 4.500 3.352 1.999 3.855 . 0 0 "[ .]" 1
448 1 90 ALA MB 1 100 ASP H . 3.000 4.500 3.730 3.553 3.936 . 0 0 "[ .]" 1
449 1 100 ASP H 1 100 ASP HB3 2.500 2.500 4.500 2.897 2.536 3.972 . 0 0 "[ .]" 1
450 1 100 ASP HB2 1 101 GLY H 2.500 2.500 4.500 4.201 3.008 4.650 0.150 4 0 "[ .]" 1
451 1 101 GLY HA3 1 102 THR H 2.500 . 4.500 3.445 3.289 3.528 . 0 0 "[ .]" 1
452 1 101 GLY HA2 1 102 THR H 2.500 . 4.500 3.037 2.828 3.190 . 0 0 "[ .]" 1
453 1 102 THR H 1 103 ASP H 2.500 2.500 4.500 4.514 4.428 4.556 0.056 3 0 "[ .]" 1
454 1 103 ASP H 1 104 MET H 2.500 2.500 4.500 4.106 2.633 4.679 0.179 4 0 "[ .]" 1
455 1 106 LEU HA 1 107 ALA H 2.500 . 4.500 3.530 3.500 3.563 . 0 0 "[ .]" 1
456 1 106 LEU QD 1 107 ALA H 2.500 2.500 4.500 3.547 3.232 3.768 . 0 0 "[ .]" 1
457 1 107 ALA HA 1 108 ASP H 2.500 . 4.500 3.473 3.340 3.567 . 0 0 "[ .]" 1
458 1 109 PHE H 1 109 PHE QD 2.500 . 4.500 3.049 2.547 4.286 . 0 0 "[ .]" 1
459 1 110 HIS H 1 111 ALA HA 2.500 . 4.500 5.102 4.815 5.208 0.708 4 4 "[*- +*]" 1
460 1 110 HIS H 1 111 ALA H 2.500 . 4.500 3.378 3.144 3.907 . 0 0 "[ .]" 1
461 1 111 ALA H 1 152 PHE QB . 4.000 4.500 3.856 3.457 4.547 0.543 2 1 "[ + .]" 1
462 1 111 ALA H 1 153 VAL HB . 3.000 4.500 4.043 2.582 4.596 0.418 3 0 "[ .]" 1
463 1 111 ALA H 1 153 VAL QG 2.500 2.500 4.500 3.187 1.382 3.758 1.118 3 1 "[ + .]" 1
464 1 111 ALA H 1 153 VAL H 2.500 2.500 4.500 3.214 3.089 3.518 . 0 0 "[ .]" 1
465 1 112 GLY H 1 112 GLY HA3 2.500 2.500 4.500 2.964 2.923 2.985 . 0 0 "[ .]" 1
466 1 112 GLY H 1 112 GLY HA2 2.500 . 4.500 2.635 2.558 2.710 . 0 0 "[ .]" 1
467 1 112 GLY HA3 1 113 ILE H 2.500 . 4.500 2.505 2.409 2.560 . 0 0 "[ .]" 1
468 1 113 ILE H 1 113 ILE HA 2.500 2.500 4.500 2.986 2.970 2.994 . 0 0 "[ .]" 1
469 1 113 ILE H 1 113 ILE HB 2.500 . 4.500 2.476 2.191 2.673 . 0 0 "[ .]" 1
470 1 113 ILE H 1 149 VAL QG 2.500 . 4.500 2.529 2.242 2.863 . 0 0 "[ .]" 1
471 1 113 ILE H 1 151 VAL MG2 2.500 . 4.500 2.707 2.298 3.440 . 0 0 "[ .]" 1
472 1 113 ILE H 1 151 VAL H 2.500 . 4.500 3.604 3.445 3.804 . 0 0 "[ .]" 1
473 1 113 ILE H 1 152 PHE HA 2.500 2.500 4.500 3.703 3.630 3.806 . 0 0 "[ .]" 1
474 1 114 PHE H 1 114 PHE HB3 2.500 2.500 4.500 3.647 3.590 3.686 . 0 0 "[ .]" 1
475 1 114 PHE H 1 114 PHE HB2 2.500 . 4.500 2.417 2.309 2.508 . 0 0 "[ .]" 1
476 1 114 PHE H 1 114 PHE QD 2.500 . 4.500 2.256 2.105 2.461 . 0 0 "[ .]" 1
477 1 114 PHE H 1 122 VAL QG 2.500 2.500 4.500 2.459 2.201 2.673 0.299 4 0 "[ .]" 1
478 1 114 PHE H 1 122 VAL H 2.500 . 4.500 3.698 3.386 4.072 . 0 0 "[ .]" 1
479 1 114 PHE HB3 1 115 LEU H 2.500 . 4.500 3.044 2.807 3.252 . 0 0 "[ .]" 1
480 1 114 PHE HB2 1 115 LEU H 2.500 2.500 4.500 4.045 3.887 4.217 . 0 0 "[ .]" 1
481 1 115 LEU H 1 115 LEU HA 2.500 2.500 4.500 2.977 2.961 2.988 . 0 0 "[ .]" 1
482 1 115 LEU H 1 148 ASP HA 2.500 . 4.500 4.027 3.691 4.318 . 0 0 "[ .]" 1
483 1 115 LEU H 1 148 ASP HB3 2.500 . 4.500 2.805 1.998 3.392 . 0 0 "[ .]" 1
484 1 116 LYS H 1 116 LYS HA 2.500 . 4.500 2.987 2.962 3.000 . 0 0 "[ .]" 1
485 1 118 GLN HA 1 119 GLU H 2.500 . 4.500 2.527 2.251 3.237 . 0 0 "[ .]" 1
486 1 119 GLU H 1 119 GLU HA 2.500 . 4.500 2.464 2.364 2.858 . 0 0 "[ .]" 1
487 1 119 GLU H 1 120 HIS H 2.500 2.500 4.500 3.118 2.818 4.219 . 0 0 "[ .]" 1
488 1 120 HIS H 1 121 ALA H . 4.000 4.500 4.163 4.094 4.225 . 0 0 "[ .]" 1
489 1 23 ALA MB 1 121 ALA H 2.500 . 4.500 2.135 1.735 2.511 . 0 0 "[ .]" 1
490 1 120 HIS HB2 1 121 ALA H 2.500 2.500 4.500 4.459 4.252 4.559 0.059 1 0 "[ .]" 1
491 1 113 ILE MG 1 122 VAL H 2.500 . 4.500 3.677 3.581 3.776 . 0 0 "[ .]" 1
492 1 115 LEU HA 1 122 VAL H 2.500 . 4.500 3.946 3.384 4.319 . 0 0 "[ .]" 1
493 1 116 LYS H 1 122 VAL H 2.500 2.500 4.500 4.038 3.804 4.274 . 0 0 "[ .]" 1
494 1 122 VAL HA 1 123 PHE H 2.500 . 4.500 2.406 2.289 2.488 . 0 0 "[ .]" 1
495 1 122 VAL HB 1 123 PHE H 2.500 . 4.500 2.847 2.605 3.052 . 0 0 "[ .]" 1
496 1 122 VAL QG 1 123 PHE H 2.500 2.500 4.500 3.335 3.218 3.412 . 0 0 "[ .]" 1
497 1 123 PHE H 1 123 PHE HB3 2.500 2.500 4.500 3.284 2.464 3.922 0.036 4 0 "[ .]" 1
498 1 123 PHE H 1 123 PHE HB2 2.500 2.500 4.500 3.001 2.480 3.575 0.020 3 0 "[ .]" 1
499 1 112 GLY H 1 124 ALA H 2.500 . 4.500 3.460 2.974 3.857 . 0 0 "[ .]" 1
500 1 123 PHE HB3 1 124 ALA H 2.500 2.500 4.500 3.983 3.513 4.600 0.100 4 0 "[ .]" 1
501 1 123 PHE HB2 1 124 ALA H 2.500 2.500 4.500 4.351 4.131 4.502 0.002 3 0 "[ .]" 1
502 1 124 ALA H 1 125 CYS H 2.500 2.500 4.500 4.561 4.504 4.620 0.120 2 0 "[ .]" 1
503 1 125 CYS H 1 125 CYS HB3 2.500 2.500 4.500 3.272 3.063 3.613 . 0 0 "[ .]" 1
504 1 125 CYS H 1 125 CYS HB2 2.500 2.500 4.500 3.346 2.822 4.056 . 0 0 "[ .]" 1
505 1 125 CYS H 1 127 THR H . 4.000 4.500 4.762 4.485 5.168 0.668 2 1 "[ + .]" 1
506 1 125 CYS H 1 132 TYR H 2.500 . 4.500 2.954 2.828 3.130 . 0 0 "[ .]" 1
507 1 125 CYS H 1 134 ILE H 2.500 2.500 4.500 4.442 3.951 4.713 0.213 3 0 "[ .]" 1
508 1 125 CYS HB3 1 126 VAL H 2.500 . 4.500 3.850 3.359 4.115 . 0 0 "[ .]" 1
509 1 125 CYS HB2 1 126 VAL H 2.500 . 4.500 4.050 2.366 4.536 0.036 3 0 "[ .]" 1
510 1 126 VAL H 1 126 VAL HA 2.500 . 4.500 2.818 2.789 2.865 . 0 0 "[ .]" 1
511 1 126 VAL H 1 126 VAL QG . 3.000 3.000 2.065 1.874 2.211 1.126 4 5 [*-*+*] 1
512 1 126 VAL H 1 127 THR H . 4.000 4.500 4.386 4.301 4.495 . 0 0 "[ .]" 1
513 1 126 VAL QG 1 127 THR H 2.500 . 4.500 2.944 2.693 3.116 . 0 0 "[ .]" 1
514 1 127 THR H 1 127 THR HA . 3.000 4.500 2.963 2.914 2.989 0.086 5 0 "[ .]" 1
515 1 127 THR H 1 127 THR HB 2.500 . 4.500 3.599 3.509 3.699 . 0 0 "[ .]" 1
516 1 127 THR H 1 129 ASN H 2.500 2.500 4.500 3.828 3.587 4.011 . 0 0 "[ .]" 1
517 1 127 THR H 1 130 GLY H 2.500 2.500 4.500 2.820 2.553 3.147 . 0 0 "[ .]" 1
518 1 127 THR H 1 132 TYR H 2.500 2.500 4.500 2.731 2.424 3.278 0.076 5 0 "[ .]" 1
519 1 128 SER H 1 128 SER HB2 2.500 . 4.500 3.117 2.484 3.539 . 0 0 "[ .]" 1
520 1 127 THR HA 1 129 ASN H 2.500 2.500 4.500 4.119 4.021 4.169 . 0 0 "[ .]" 1
521 1 128 SER HA 1 129 ASN H 2.500 . 4.500 3.472 3.462 3.484 . 0 0 "[ .]" 1
522 1 127 THR HG1 1 130 GLY H 2.500 2.500 4.500 2.123 1.896 2.257 0.604 4 1 "[ +.]" 1
523 1 129 ASN HB3 1 130 GLY H 2.500 2.500 4.500 4.315 4.291 4.358 . 0 0 "[ .]" 1
524 1 129 ASN HB2 1 130 GLY H 2.500 2.500 4.500 3.560 3.422 3.694 . 0 0 "[ .]" 1
525 1 130 GLY H 1 131 TRP H 2.500 2.500 4.500 4.488 4.418 4.578 0.078 3 0 "[ .]" 1
526 1 127 THR H 1 131 TRP H . 4.000 4.500 4.553 4.499 4.638 0.138 2 0 "[ .]" 1
527 1 131 TRP H 1 132 TYR H . 4.000 4.500 4.112 3.892 4.242 0.108 2 0 "[ .]" 1
528 1 127 THR HG1 1 132 TYR H 2.500 . 4.500 2.705 2.419 3.035 . 0 0 "[ .]" 1
529 1 131 TRP QB 1 132 TYR H 2.500 2.500 4.500 3.721 3.656 3.877 . 0 0 "[ .]" 1
530 1 132 TYR H 1 132 TYR HB3 2.500 . 4.500 3.140 1.907 3.582 . 0 0 "[ .]" 1
531 1 132 TYR H 1 132 TYR HB2 2.500 . 4.500 2.529 2.261 3.211 . 0 0 "[ .]" 1
532 1 132 TYR HB3 1 133 ALA H 2.500 2.500 4.500 3.378 2.411 4.274 0.089 5 0 "[ .]" 1
533 1 133 ALA H 1 139 PHE HA 2.500 2.500 4.500 4.173 3.276 4.824 0.324 3 0 "[ .]" 1
534 1 124 ALA HA 1 134 ILE H 2.500 . 4.500 2.655 2.278 2.947 . 0 0 "[ .]" 1
535 1 134 ILE H 1 134 ILE HA . 3.000 4.500 2.907 2.833 2.955 0.167 2 0 "[ .]" 1
536 1 134 ILE H 1 134 ILE HB 2.500 . 4.500 2.796 2.003 3.795 . 0 0 "[ .]" 1
537 1 134 ILE H 1 134 ILE MD . 3.000 4.500 3.495 2.609 3.956 0.391 5 0 "[ .]" 1
538 1 133 ALA MB 1 135 ASP H 2.500 2.500 4.500 3.878 3.797 4.052 . 0 0 "[ .]" 1
539 1 134 ILE MG 1 135 ASP H 2.500 . 4.500 3.681 3.395 3.892 . 0 0 "[ .]" 1
540 1 135 ASP H 1 135 ASP HA 2.500 2.500 4.500 2.959 2.940 2.977 . 0 0 "[ .]" 1
541 1 135 ASP H 1 135 ASP HB3 2.500 . 4.500 3.323 2.850 3.553 . 0 0 "[ .]" 1
542 1 135 ASP H 1 135 ASP HB2 2.500 . 4.500 2.166 1.967 2.339 . 0 0 "[ .]" 1
543 1 137 GLU H 1 138 ASP H 2.500 . 4.500 3.106 2.845 3.533 . 0 0 "[ .]" 1
544 1 137 GLU HA 1 138 ASP H 2.500 . 4.500 3.585 3.303 3.729 . 0 0 "[ .]" 1
545 1 139 PHE H 1 139 PHE HA . 3.000 4.500 2.973 2.963 2.982 0.037 3 0 "[ .]" 1
546 1 139 PHE H 1 139 PHE QE 2.500 . 4.500 4.320 3.966 4.565 0.065 4 0 "[ .]" 1
547 1 139 PHE H 1 140 TYR H 2.500 2.500 4.500 4.354 4.294 4.424 . 0 0 "[ .]" 1
548 1 134 ILE H 1 140 TYR H . 4.000 4.500 4.904 4.718 5.047 0.547 5 2 "[- +]" 1
549 1 139 PHE QD 1 140 TYR H 2.500 2.500 4.500 4.178 4.037 4.350 . 0 0 "[ .]" 1
550 1 140 TYR H 1 140 TYR HA 2.500 . 4.500 2.985 2.942 3.003 . 0 0 "[ .]" 1
551 1 133 ALA MB 1 142 TRP H 2.500 2.500 4.500 3.378 2.164 3.825 0.336 2 0 "[ .]" 1
552 1 133 ALA H 1 142 TRP H 2.500 . 4.500 3.335 2.774 3.901 . 0 0 "[ .]" 1
553 1 142 TRP H 1 142 TRP HA 2.500 . 4.500 2.987 2.964 3.031 . 0 0 "[ .]" 1
554 1 142 TRP H 1 142 TRP QB . 3.000 4.500 2.583 2.520 2.660 0.480 3 0 "[ .]" 1
555 1 142 TRP H 1 143 THR H 2.500 2.500 4.500 3.792 2.173 4.377 0.327 2 0 "[ .]" 1
556 1 143 THR H 1 143 THR HA . 3.000 4.500 2.871 2.630 2.994 0.370 3 0 "[ .]" 1
557 1 145 ASP H 1 145 ASP HA 2.500 2.500 4.500 2.958 2.914 2.986 . 0 0 "[ .]" 1
558 1 147 SER H 1 149 VAL H 2.500 2.500 4.500 3.525 3.389 3.748 . 0 0 "[ .]" 1
559 1 147 SER HA 1 148 ASP H 2.500 . 4.500 3.585 3.554 3.605 . 0 0 "[ .]" 1
560 1 148 ASP H 1 149 VAL QG . 4.000 4.500 2.386 2.263 2.564 1.737 1 5 [+*-**] 1
561 1 114 PHE HA 1 149 VAL H 2.500 2.500 4.500 3.587 3.455 3.722 . 0 0 "[ .]" 1
562 1 147 SER HA 1 149 VAL H 2.500 2.500 4.500 4.539 4.476 4.626 0.126 4 0 "[ .]" 1
563 1 148 ASP HA 1 149 VAL H 2.500 . 4.500 3.257 3.185 3.320 . 0 0 "[ .]" 1
564 1 148 ASP HB3 1 149 VAL H 2.500 2.500 4.500 4.305 4.246 4.394 . 0 0 "[ .]" 1
565 1 148 ASP HB2 1 149 VAL H 2.500 2.500 4.500 3.610 3.475 3.770 . 0 0 "[ .]" 1
566 1 149 VAL H 1 149 VAL HA . 3.000 4.500 2.944 2.927 2.962 0.073 5 0 "[ .]" 1
567 1 149 VAL H 1 150 LEU H 2.500 2.500 4.500 4.523 4.494 4.564 0.064 2 0 "[ .]" 1
568 1 114 PHE HA 1 150 LEU H 2.500 2.500 4.500 3.654 3.130 3.975 . 0 0 "[ .]" 1
569 1 149 VAL HA 1 150 LEU H . 3.000 4.500 2.374 2.327 2.418 0.673 4 5 [*-*+*] 1
570 1 149 VAL QG 1 150 LEU H . 3.000 3.000 2.092 1.922 2.288 1.078 5 5 [*-**+] 1
571 1 150 LEU H 1 150 LEU QB 2.500 . 4.500 2.359 2.113 2.479 . 0 0 "[ .]" 1
572 1 149 VAL HA 1 151 VAL H 2.500 . 4.500 4.610 4.159 5.324 0.824 4 2 "[ +-]" 1
573 1 149 VAL QG 1 151 VAL H 2.500 . 4.500 2.460 1.762 3.640 . 0 0 "[ .]" 1
574 1 151 VAL H 1 151 VAL MG2 2.500 . 4.500 3.069 1.870 3.943 . 0 0 "[ .]" 1
575 1 152 PHE H 1 152 PHE HA . 3.000 4.500 2.975 2.963 2.990 0.037 3 0 "[ .]" 1
576 1 152 PHE H 1 152 PHE QB 2.500 2.500 4.500 2.751 2.459 2.957 0.041 4 0 "[ .]" 1
577 1 152 PHE H 1 152 PHE QD 2.500 . 4.500 2.392 1.774 3.043 . 0 0 "[ .]" 1
578 1 152 PHE H 1 152 PHE QE 2.500 . 4.500 4.181 3.841 4.534 0.034 5 0 "[ .]" 1
579 1 112 GLY HA3 1 153 VAL H 2.500 2.500 4.500 3.717 3.583 3.883 . 0 0 "[ .]" 1
580 1 112 GLY HA2 1 153 VAL H 2.500 2.500 4.500 4.133 3.731 4.414 . 0 0 "[ .]" 1
581 1 149 VAL QG 1 153 VAL H 2.500 2.500 4.500 4.902 4.614 5.297 0.797 3 1 "[ + .]" 1
582 1 152 PHE QB 1 153 VAL H 2.500 . 4.500 2.407 2.189 2.674 . 0 0 "[ .]" 1
583 1 152 PHE QD 1 153 VAL H 2.500 . 4.500 2.306 1.848 2.845 . 0 0 "[ .]" 1
584 1 152 PHE QE 1 153 VAL H 2.500 2.500 4.500 4.371 4.114 4.640 0.140 3 0 "[ .]" 1
585 1 153 VAL H 1 153 VAL HA 2.500 . 4.500 3.014 2.990 3.028 . 0 0 "[ .]" 1
586 1 153 VAL H 1 153 VAL HB . 3.000 4.500 2.525 2.448 2.644 0.552 3 3 "[*-+ .]" 1
587 1 109 PHE HA 1 155 TYR H 2.500 . 4.500 3.764 2.869 5.531 1.031 3 1 "[ + .]" 1
588 1 155 TYR H 1 155 TYR HA 2.500 . 4.500 2.946 2.878 2.995 . 0 0 "[ .]" 1
589 1 155 TYR H 1 156 ASP H 2.500 2.500 4.500 3.667 2.449 4.454 0.051 1 0 "[ .]" 1
590 1 155 TYR QD 1 156 ASP H 2.500 . 4.500 2.875 2.089 3.379 . 0 0 "[ .]" 1
591 1 156 ASP H 1 157 GLN H 2.500 2.500 4.500 3.872 2.950 4.533 0.033 3 0 "[ .]" 1
592 1 162 GLY H 1 162 GLY HA3 2.500 . 4.500 2.594 2.380 2.992 . 0 0 "[ .]" 1
593 1 162 GLY H 1 162 GLY HA2 2.500 2.500 4.500 2.851 2.489 2.973 0.011 5 0 "[ .]" 1
594 1 162 GLY HA2 1 163 GLU H 2.500 . 4.500 2.423 2.221 2.690 . 0 0 "[ .]" 1
595 1 163 GLU H 1 163 GLU HA 2.500 . 4.500 2.492 2.364 3.001 . 0 0 "[ .]" 1
596 1 163 GLU H 1 163 GLU HB2 2.500 . 4.500 3.270 2.674 3.431 . 0 0 "[ .]" 1
597 1 97 CYS HB3 1 152 PHE H 2.500 . 4.500 4.224 3.105 4.668 0.168 4 0 "[ .]" 1
598 1 165 LYS H 1 165 LYS HA 2.500 . 4.500 2.968 2.929 3.003 . 0 0 "[ .]" 1
599 1 165 LYS H 1 165 LYS HB3 2.500 2.500 4.500 2.765 2.491 3.586 0.009 3 0 "[ .]" 1
600 1 165 LYS H 1 165 LYS HB2 2.500 . 4.500 2.639 2.328 3.013 . 0 0 "[ .]" 1
601 1 166 ALA H 1 166 ALA MB 2.500 . 4.500 2.452 2.156 2.755 . 0 0 "[ .]" 1
602 1 3 LEU H 1 10 LYS HA . 4.000 5.500 4.609 3.924 4.873 0.076 4 0 "[ .]" 1
603 1 3 LEU H 1 13 PHE QE 3.500 2.500 5.500 3.451 2.926 3.725 . 0 0 "[ .]" 1
604 1 4 THR H 1 10 LYS HA . 4.000 5.500 4.434 3.856 5.738 0.238 2 0 "[ .]" 1
605 1 4 THR H 1 127 THR HA . 4.000 5.500 4.671 3.677 5.593 0.323 2 0 "[ .]" 1
606 1 5 LEU H 1 6 TYR H . 4.000 5.500 4.372 3.957 4.523 0.043 2 0 "[ .]" 1
607 1 5 LEU H 1 9 GLU H . 4.000 5.500 3.855 3.770 3.977 0.230 3 0 "[ .]" 1
608 1 5 LEU H 1 10 LYS H . 4.000 5.500 4.516 3.898 5.401 0.102 2 0 "[ .]" 1
609 1 5 LEU QD 1 6 TYR H 3.500 2.500 5.500 3.192 1.869 3.850 0.631 2 1 "[ + .]" 1
610 1 5 LEU H 1 7 ASN H 3.500 2.500 5.500 4.947 4.853 5.021 . 0 0 "[ .]" 1
611 1 7 ASN H 1 7 ASN HD21 . 4.000 5.500 4.065 3.952 4.318 0.048 2 0 "[ .]" 1
612 1 5 LEU QD 1 8 GLY H . 4.000 5.500 3.037 2.570 4.281 1.430 3 4 "[* +-*]" 1
613 1 5 LEU H 1 8 GLY H . 4.000 5.500 4.382 3.872 4.801 0.128 1 0 "[ .]" 1
614 1 6 TYR HA 1 8 GLY H . 4.000 5.500 4.311 3.758 5.027 0.242 1 0 "[ .]" 1
615 1 6 TYR H 1 8 GLY H . 4.000 5.500 5.058 4.617 5.621 0.121 4 0 "[ .]" 1
616 1 7 ASN HB3 1 9 GLU H . 4.000 5.500 5.332 3.909 6.102 0.602 2 1 "[ + .]" 1
617 1 7 ASN HB2 1 9 GLU H 3.500 2.500 5.500 4.938 3.028 6.122 0.622 2 1 "[ + .]" 1
618 1 5 LEU QD 1 10 LYS H . 4.000 5.500 3.676 2.560 4.121 1.440 2 1 "[ + .]" 1
619 1 3 LEU QD 1 11 LYS H . 4.000 5.500 4.290 3.780 4.519 0.220 4 0 "[ .]" 1
620 1 9 GLU HA 1 11 LYS H . 4.000 5.500 5.434 4.958 5.784 0.284 1 0 "[ .]" 1
621 1 10 LYS HA 1 12 THR H . 4.000 5.500 5.830 5.657 6.052 0.552 4 1 "[ +.]" 1
622 1 12 THR H 1 13 PHE H . 4.000 5.500 4.497 4.395 4.553 . 0 0 "[ .]" 1
623 1 3 LEU QD 1 13 PHE H . 4.000 5.500 2.420 2.094 2.869 1.906 1 5 [+**-*] 1
624 1 13 PHE H 1 13 PHE QE 3.500 2.500 5.500 4.243 4.064 4.359 . 0 0 "[ .]" 1
625 1 13 PHE H 1 13 PHE HZ . 4.000 5.500 6.003 5.682 6.173 0.673 2 4 "[-+ **]" 1
626 1 13 PHE H 1 134 ILE MD . 4.000 5.500 4.101 3.677 4.417 0.323 4 0 "[ .]" 1
627 1 12 THR HG1 1 14 TYR H . 4.000 5.500 4.468 4.390 4.658 . 0 0 "[ .]" 1
628 1 13 PHE H 1 14 TYR H . 4.000 5.500 4.457 4.337 4.514 . 0 0 "[ .]" 1
629 1 15 SER H 1 15 SER HB3 . 4.000 5.500 3.799 3.581 3.987 0.419 5 0 "[ .]" 1
630 1 16 ARG H 1 137 GLU H . 4.000 5.500 4.618 3.644 5.032 0.356 5 0 "[ .]" 1
631 1 16 ARG H 1 18 ASN H . 4.000 5.500 5.658 5.246 6.116 0.616 3 1 "[ + .]" 1
632 1 18 ASN H 1 21 ASP H . 4.000 5.500 5.601 4.983 5.883 0.383 2 0 "[ .]" 1
633 1 18 ASN H 1 137 GLU H . 4.000 5.500 6.072 5.525 6.935 1.435 5 2 "[ -+]" 1
634 1 19 ASN H 1 19 ASN HB3 . 4.000 5.500 3.568 3.517 3.628 0.483 1 0 "[ .]" 1
635 1 19 ASN H 1 19 ASN HB2 . 4.000 5.500 3.698 3.669 3.740 0.331 2 0 "[ .]" 1
636 1 20 HIS H 1 20 HIS HD2 . 4.000 5.500 4.231 3.812 4.897 0.188 5 0 "[ .]" 1
637 1 20 HIS H 1 20 HIS HE1 . 4.000 5.500 4.978 4.541 5.402 . 0 0 "[ .]" 1
638 1 20 HIS H 1 21 ASP HB2 . 4.000 5.500 5.510 4.941 5.974 0.474 4 0 "[ .]" 1
639 1 20 HIS H 1 22 ASN H 3.500 2.500 5.500 4.996 4.636 5.721 0.221 3 0 "[ .]" 1
640 1 20 HIS H 1 51 THR HG1 3.500 2.500 5.500 4.544 3.966 4.957 . 0 0 "[ .]" 1
641 1 22 ASN H 1 51 THR HG1 . 4.000 5.500 3.541 3.163 3.751 0.837 1 2 "[+ - .]" 1
642 1 21 ASP HB2 1 23 ALA H . 4.000 5.500 5.191 4.894 5.659 0.159 1 0 "[ .]" 1
643 1 23 ALA HA 1 24 TRP H . 4.000 5.500 3.642 3.626 3.660 0.374 5 0 "[ .]" 1
644 1 24 TRP H 1 26 ASN H . 4.000 5.500 3.945 3.862 4.021 0.138 4 0 "[ .]" 1
645 1 25 LEU QD 1 26 ASN H . 4.000 5.500 4.019 3.938 4.102 0.062 3 0 "[ .]" 1
646 1 25 LEU HG 1 26 ASN H 3.500 2.500 5.500 4.675 4.523 4.844 . 0 0 "[ .]" 1
647 1 26 ASN H 1 27 ALA MB 3.500 2.500 5.500 4.229 3.966 4.408 . 0 0 "[ .]" 1
648 1 26 ASN H 1 28 ILE H . 4.000 5.500 4.877 4.605 5.063 . 0 0 "[ .]" 1
649 1 26 ASN H 1 29 LEU QD . 4.000 5.500 3.975 3.709 4.451 0.291 3 0 "[ .]" 1
650 1 24 TRP HA 1 27 ALA H . 4.000 5.500 3.553 3.509 3.610 0.491 5 0 "[ .]" 1
651 1 26 ASN HA 1 28 ILE H 3.500 2.500 5.500 5.117 4.800 5.334 . 0 0 "[ .]" 1
652 1 28 ILE H 1 30 GLN H 3.500 2.500 5.500 4.719 4.515 5.033 . 0 0 "[ .]" 1
653 1 29 LEU QD 1 31 LEU H . 4.000 5.500 4.460 4.235 4.616 . 0 0 "[ .]" 1
654 1 29 LEU H 1 31 LEU H . 4.000 5.500 3.748 3.654 3.887 0.346 5 0 "[ .]" 1
655 1 31 LEU H 1 32 PHE QD . 4.000 5.500 4.728 4.671 4.785 . 0 0 "[ .]" 1
656 1 31 LEU H 1 33 ARG H . 4.000 5.500 4.099 3.898 4.177 0.102 5 0 "[ .]" 1
657 1 28 ILE MD 1 32 PHE H . 4.000 5.500 5.621 5.105 6.093 0.593 5 1 "[ +]" 1
658 1 29 LEU QD 1 32 PHE H . 4.000 5.500 4.064 3.858 4.330 0.142 3 0 "[ .]" 1
659 1 29 LEU H 1 32 PHE H . 4.000 5.500 4.281 4.047 4.476 . 0 0 "[ .]" 1
660 1 30 GLN H 1 32 PHE H . 4.000 5.500 4.028 3.948 4.254 0.052 1 0 "[ .]" 1
661 1 32 PHE H 1 32 PHE QE 3.500 2.500 5.500 4.960 4.278 5.449 . 0 0 "[ .]" 1
662 1 13 PHE QD 1 33 ARG H . 4.000 5.500 5.615 5.138 6.284 0.784 2 1 "[ + .]" 1
663 1 13 PHE HZ 1 33 ARG H . 4.000 5.500 5.042 4.075 5.893 0.393 4 0 "[ .]" 1
664 1 29 LEU QD 1 33 ARG H . 4.000 5.500 4.360 4.134 4.708 . 0 0 "[ .]" 1
665 1 33 ARG H 1 34 TYR QD . 4.000 5.500 4.467 3.825 4.978 0.175 2 0 "[ .]" 1
666 1 31 LEU H 1 34 TYR H . 4.000 5.500 5.048 4.730 5.300 . 0 0 "[ .]" 1
667 1 32 PHE HA 1 34 TYR H . 4.000 5.500 4.645 4.159 5.056 . 0 0 "[ .]" 1
668 1 32 PHE H 1 34 TYR H . 4.000 5.500 4.544 4.188 4.895 . 0 0 "[ .]" 1
669 1 35 VAL H 1 153 VAL QG . 4.000 5.500 4.014 3.544 4.483 0.456 4 0 "[ .]" 1
670 1 34 TYR QD 1 36 GLU H . 4.000 5.500 4.818 4.226 5.410 . 0 0 "[ .]" 1
671 1 35 VAL HB 1 36 GLU H 3.500 2.500 5.500 3.123 2.788 3.613 . 0 0 "[ .]" 1
672 1 35 VAL HB 1 37 GLU H . 4.000 5.500 4.594 3.685 5.886 0.386 1 0 "[ .]" 1
673 1 35 VAL H 1 37 GLU H . 4.000 5.500 4.778 4.034 5.797 0.297 1 0 "[ .]" 1
674 1 37 GLU HA 1 39 PHE H . 4.000 5.500 5.487 4.975 6.087 0.587 1 2 "[+ - .]" 1
675 1 29 LEU QD 1 40 PHE H . 4.000 5.500 3.676 3.204 4.182 0.796 2 2 "[ + -]" 1
676 1 40 PHE HB3 1 41 ASP H . 4.000 5.500 4.232 3.715 4.465 0.285 1 0 "[ .]" 1
677 1 41 ASP H 1 42 TRP QB . 4.000 5.500 4.770 4.576 4.906 . 0 0 "[ .]" 1
678 1 41 ASP H 1 43 VAL H . 4.000 5.500 4.367 4.297 4.476 . 0 0 "[ .]" 1
679 1 40 PHE HA 1 42 TRP H . 4.000 5.500 3.720 3.539 3.915 0.461 5 0 "[ .]" 1
680 1 42 TRP H 1 42 TRP HE1 . 4.000 5.500 4.712 4.604 4.825 . 0 0 "[ .]" 1
681 1 42 TRP H 1 43 VAL QG . 4.000 5.500 3.954 3.902 3.999 0.098 4 0 "[ .]" 1
682 1 40 PHE HA 1 43 VAL H 3.500 2.500 5.500 3.645 3.244 4.096 . 0 0 "[ .]" 1
683 1 42 TRP HD1 1 43 VAL H . 4.000 5.500 4.740 4.608 4.832 . 0 0 "[ .]" 1
684 1 43 VAL H 1 45 SER H . 4.000 5.500 3.924 3.898 3.998 0.102 5 0 "[ .]" 1
685 1 43 VAL H 1 46 SER H . 4.000 5.500 4.698 4.224 4.949 . 0 0 "[ .]" 1
686 1 44 TYR H 1 44 TYR QE . 4.000 5.500 4.698 4.624 4.778 . 0 0 "[ .]" 1
687 1 43 VAL HB 1 45 SER H . 4.000 5.500 4.255 3.987 4.390 0.013 2 0 "[ .]" 1
688 1 45 SER H 1 46 SER HB2 . 4.000 5.500 4.603 4.299 5.200 . 0 0 "[ .]" 1
689 1 43 VAL QG 1 46 SER H . 4.000 5.500 4.467 4.390 4.553 . 0 0 "[ .]" 1
690 1 44 TYR HB3 1 46 SER H . 4.000 5.500 5.218 5.034 5.436 . 0 0 "[ .]" 1
691 1 43 VAL QG 1 50 LEU H . 4.000 5.500 3.943 3.651 4.196 0.349 5 0 "[ .]" 1
692 1 50 LEU H 1 51 THR HA . 4.000 5.500 4.740 4.294 5.762 0.262 2 0 "[ .]" 1
693 1 43 VAL QG 1 51 THR H . 4.000 5.500 3.864 3.191 4.109 0.809 2 1 "[ + .]" 1
694 1 50 LEU QB 1 51 THR H 3.500 2.500 5.500 3.400 1.689 3.962 0.811 2 1 "[ + .]" 1
695 1 50 LEU HA 1 52 LEU H 3.500 2.500 5.500 4.296 3.924 5.348 . 0 0 "[ .]" 1
696 1 51 THR HA 1 52 LEU H 3.500 2.500 5.500 3.576 3.564 3.589 . 0 0 "[ .]" 1
697 1 52 LEU H 1 53 GLU HA . 4.000 5.500 5.699 5.681 5.718 0.218 3 0 "[ .]" 1
698 1 52 LEU H 1 54 ALA H . 4.000 5.500 4.130 3.990 4.202 0.010 1 0 "[ .]" 1
699 1 52 LEU H 1 55 ILE QG . 4.000 5.500 4.863 4.129 5.393 . 0 0 "[ .]" 1
700 1 50 LEU HA 1 53 GLU H 3.500 2.500 5.500 4.199 3.602 5.588 0.088 2 0 "[ .]" 1
701 1 25 LEU QD 1 54 ALA H . 4.000 5.500 3.446 3.312 3.607 0.688 1 3 "[+ *-.]" 1
702 1 43 VAL QG 1 54 ALA H . 4.000 5.500 3.744 3.485 3.950 0.515 2 1 "[ + .]" 1
703 1 50 LEU HA 1 54 ALA H . 4.000 5.500 4.803 4.382 5.208 . 0 0 "[ .]" 1
704 1 52 LEU HA 1 54 ALA H . 4.000 5.500 4.253 4.208 4.291 . 0 0 "[ .]" 1
705 1 52 LEU QB 1 54 ALA H 3.500 2.500 5.500 4.748 4.493 4.846 . 0 0 "[ .]" 1
706 1 54 ALA H 1 55 ILE MD . 4.000 5.500 4.141 3.655 4.792 0.345 5 0 "[ .]" 1
707 1 52 LEU QB 1 55 ILE H . 4.000 5.500 5.233 5.194 5.320 . 0 0 "[ .]" 1
708 1 52 LEU QB 1 56 LYS H . 4.000 5.500 4.740 4.414 4.927 . 0 0 "[ .]" 1
709 1 55 ILE HA 1 56 LYS H 3.500 2.500 5.500 3.520 3.495 3.545 . 0 0 "[ .]" 1
710 1 56 LYS H 1 57 GLN HB3 . 4.000 5.500 4.946 4.881 5.069 . 0 0 "[ .]" 1
711 1 53 GLU HA 1 57 GLN H . 4.000 5.500 3.982 3.892 4.128 0.108 2 0 "[ .]" 1
712 1 55 ILE MG 1 57 GLN H . 4.000 5.500 4.990 4.926 5.049 . 0 0 "[ .]" 1
713 1 55 ILE HA 1 59 GLU H . 4.000 5.500 3.855 3.790 3.950 0.210 1 0 "[ .]" 1
714 1 57 GLN H 1 59 GLU H . 4.000 5.500 3.898 3.859 3.969 0.141 3 0 "[ .]" 1
715 1 59 GLU H 1 66 LEU H . 4.000 5.500 5.150 4.789 5.626 0.126 3 0 "[ .]" 1
716 1 61 LEU HA 1 62 THR H 3.500 2.500 5.500 3.607 3.587 3.636 . 0 0 "[ .]" 1
717 1 61 LEU HG 1 62 THR H . 4.000 5.500 3.985 3.845 4.381 0.155 1 0 "[ .]" 1
718 1 62 THR H 1 64 LEU H 3.500 2.500 5.500 4.227 4.178 4.336 . 0 0 "[ .]" 1
719 1 61 LEU QD 1 63 GLY H . 4.000 5.500 4.005 3.922 4.091 0.078 1 0 "[ .]" 1
720 1 61 LEU HG 1 63 GLY H . 4.000 5.500 5.467 5.297 5.686 0.186 3 0 "[ .]" 1
721 1 55 ILE MD 1 66 LEU H . 4.000 5.500 4.346 3.013 4.924 0.987 3 1 "[ + .]" 1
722 1 66 LEU H 1 67 HIS QB . 4.000 5.500 4.327 4.099 4.782 . 0 0 "[ .]" 1
723 1 67 HIS H 1 69 GLY H . 4.000 5.500 4.039 3.591 4.439 0.409 5 0 "[ .]" 1
724 1 66 LEU QD 1 68 GLU H . 4.000 5.500 4.186 4.102 4.292 . 0 0 "[ .]" 1
725 1 21 ASP HB2 1 69 GLY H 3.500 2.500 5.500 5.433 4.217 5.883 0.383 4 0 "[ .]" 1
726 1 66 LEU QD 1 69 GLY H . 4.000 5.500 3.500 2.963 4.352 1.037 4 3 "[ *-+.]" 1
727 1 73 ALA H 1 75 VAL H 3.500 2.500 5.500 3.990 3.887 4.133 . 0 0 "[ .]" 1
728 1 74 LEU H 1 77 TRP HB2 3.500 2.500 5.500 3.782 3.209 4.609 . 0 0 "[ .]" 1
729 1 66 LEU QD 1 75 VAL H . 4.000 5.500 3.690 3.133 3.986 0.867 3 1 "[ + .]" 1
730 1 73 ALA HA 1 75 VAL H . 4.000 5.500 3.970 3.920 3.998 0.080 5 0 "[ .]" 1
731 1 73 ALA HA 1 76 ILE H 3.500 2.500 5.500 5.260 3.544 5.701 0.201 1 0 "[ .]" 1
732 1 73 ALA MB 1 76 ILE H . 4.000 5.500 4.431 4.191 4.681 . 0 0 "[ .]" 1
733 1 74 LEU H 1 76 ILE H . 4.000 5.500 4.328 4.135 4.676 . 0 0 "[ .]" 1
734 1 76 ILE H 1 79 ILE MD . 4.000 5.500 4.445 4.294 4.533 . 0 0 "[ .]" 1
735 1 73 ALA HA 1 77 TRP H . 4.000 5.500 5.642 4.352 6.092 0.592 5 1 "[ +]" 1
736 1 73 ALA MB 1 77 TRP H . 4.000 5.500 5.279 4.539 5.534 0.034 1 0 "[ .]" 1
737 1 75 VAL HB 1 77 TRP H . 4.000 5.500 4.763 4.705 4.788 . 0 0 "[ .]" 1
738 1 77 TRP H 1 78 ASN HA . 4.000 5.500 5.482 5.418 5.519 0.019 3 0 "[ .]" 1
739 1 77 TRP H 1 79 ILE H . 4.000 5.500 4.188 4.030 4.411 . 0 0 "[ .]" 1
740 1 77 TRP HA 1 79 ILE H . 4.000 5.500 4.544 4.460 4.786 . 0 0 "[ .]" 1
741 1 77 TRP HB2 1 79 ILE H . 4.000 5.500 5.576 5.289 5.752 0.252 4 0 "[ .]" 1
742 1 79 ILE H 1 80 LYS HA . 4.000 5.500 4.906 4.645 5.113 . 0 0 "[ .]" 1
743 1 77 TRP HA 1 80 LYS H 3.500 2.500 5.500 4.334 4.055 4.558 . 0 0 "[ .]" 1
744 1 78 ASN H 1 80 LYS H . 4.000 5.500 4.202 4.047 4.373 . 0 0 "[ .]" 1
745 1 80 LYS H 1 81 HIS H . 4.000 5.500 3.614 3.571 3.661 0.429 5 0 "[ .]" 1
746 1 80 LYS HA 1 81 HIS H . 4.000 5.500 3.752 3.744 3.760 0.256 1 0 "[ .]" 1
747 1 81 HIS H 1 82 LEU QD . 4.000 5.500 3.060 2.845 3.547 1.155 4 4 "[ **+-]" 1
748 1 81 HIS H 1 83 LEU H . 4.000 5.500 4.074 3.878 4.309 0.122 2 0 "[ .]" 1
749 1 80 LYS HA 1 82 LEU H . 4.000 5.500 4.112 3.916 4.319 0.084 5 0 "[ .]" 1
750 1 81 HIS HB3 1 82 LEU H . 4.000 5.500 3.947 3.806 4.307 0.194 5 0 "[ .]" 1
751 1 81 HIS HB2 1 82 LEU H . 4.000 5.500 3.704 3.623 3.965 0.377 5 0 "[ .]" 1
752 1 82 LEU H 1 83 LEU QD . 4.000 5.500 4.302 4.113 4.369 . 0 0 "[ .]" 1
753 1 81 HIS HA 1 83 LEU H . 4.000 5.500 4.287 3.932 4.672 0.068 2 0 "[ .]" 1
754 1 83 LEU H 1 85 THR H . 4.000 5.500 5.460 5.012 5.802 0.302 1 0 "[ .]" 1
755 1 83 LEU H 1 84 HIS H . 4.000 5.500 3.951 3.493 4.636 0.507 1 1 "[+ .]" 1
756 1 84 HIS H 1 85 THR HB . 4.000 5.500 4.996 4.071 5.604 0.104 2 0 "[ .]" 1
757 1 84 HIS H 1 85 THR HG1 . 4.000 5.500 4.018 2.978 4.792 1.022 3 2 "[ +-.]" 1
758 1 85 THR H 1 86 GLY H . 4.000 5.500 4.302 3.745 4.524 0.255 5 0 "[ .]" 1
759 1 85 THR HB 1 86 GLY H . 4.000 5.500 3.897 3.525 4.276 0.475 5 0 "[ .]" 1
760 1 86 GLY H 1 87 ILE MD . 4.000 5.500 3.247 2.555 3.904 1.445 5 4 "[** -+]" 1
761 1 86 GLY H 1 95 GLU H . 4.000 5.500 4.469 3.941 6.173 0.673 5 1 "[ +]" 1
762 1 85 THR HG1 1 87 ILE H . 4.000 5.500 3.850 3.541 4.161 0.459 5 0 "[ .]" 1
763 1 86 GLY HA3 1 87 ILE H . 4.000 5.500 3.524 3.501 3.542 0.499 1 0 "[ .]" 1
764 1 87 ILE H 1 88 GLY H . 4.000 5.500 4.564 4.510 4.637 . 0 0 "[ .]" 1
765 1 87 ILE H 1 94 SER HB2 . 4.000 5.500 4.967 4.476 5.283 . 0 0 "[ .]" 1
766 1 87 ILE H 1 95 GLU H . 4.000 5.500 4.932 4.660 5.733 0.233 5 0 "[ .]" 1
767 1 87 ILE H 1 96 VAL H . 4.000 5.500 4.990 4.676 5.517 0.017 5 0 "[ .]" 1
768 1 88 GLY H 1 94 SER H . 4.000 5.500 4.162 3.942 4.477 0.058 2 0 "[ .]" 1
769 1 88 GLY H 1 97 CYS H . 4.000 5.500 4.726 4.226 5.086 . 0 0 "[ .]" 1
770 1 89 THR H 1 98 VAL H . 4.000 5.500 4.736 4.122 5.767 0.267 4 0 "[ .]" 1
771 1 90 ALA H 1 98 VAL H . 4.000 5.500 3.962 3.802 4.469 0.198 3 0 "[ .]" 1
772 1 90 ALA H 1 100 ASP H . 4.000 5.500 4.765 3.920 5.657 0.157 1 0 "[ .]" 1
773 1 89 THR HA 1 91 SER H 3.500 2.500 5.500 4.346 3.929 4.632 . 0 0 "[ .]" 1
774 1 90 ALA HA 1 91 SER H 3.500 3.000 5.500 3.535 3.487 3.579 . 0 0 "[ .]" 1
775 1 90 ALA HA 1 92 ARG H . 4.000 5.500 4.385 4.268 4.538 . 0 0 "[ .]" 1
776 1 94 SER H 1 95 GLU H . 4.000 5.500 4.293 4.062 4.414 . 0 0 "[ .]" 1
777 1 86 GLY H 1 96 VAL H . 4.000 5.500 5.311 4.831 5.812 0.312 5 0 "[ .]" 1
778 1 96 VAL H 1 97 CYS H . 4.000 5.500 4.311 4.155 4.393 . 0 0 "[ .]" 1
779 1 96 VAL H 1 153 VAL HA . 4.000 5.500 5.663 5.152 6.047 0.547 5 1 "[ +]" 1
780 1 97 CYS H 1 152 PHE QD . 4.000 5.500 4.127 2.717 4.651 1.283 4 1 "[ +.]" 1
781 1 97 CYS H 1 152 PHE QE 3.500 2.500 5.500 4.483 3.786 5.059 . 0 0 "[ .]" 1
782 1 97 CYS H 1 153 VAL HB . 4.000 5.500 5.179 4.806 5.806 0.306 4 0 "[ .]" 1
783 1 88 GLY H 1 98 VAL H . 4.000 5.500 4.711 4.128 5.836 0.336 4 0 "[ .]" 1
784 1 90 ALA MB 1 98 VAL H . 4.000 5.500 4.603 4.240 4.836 . 0 0 "[ .]" 1
785 1 96 VAL HA 1 98 VAL H 3.500 2.500 5.500 6.173 6.084 6.305 0.805 1 5 [+-***] 1
786 1 98 VAL H 1 98 VAL HB 3.500 2.500 5.500 3.244 2.327 3.631 0.173 5 0 "[ .]" 1
787 1 98 VAL H 1 99 VAL H . 4.000 5.500 4.443 4.326 4.552 . 0 0 "[ .]" 1
788 1 99 VAL H 1 100 ASP H 3.500 2.500 5.500 2.966 2.230 4.445 0.270 3 0 "[ .]" 1
789 1 99 VAL H 1 152 PHE H . 4.000 5.500 4.248 3.770 5.562 0.230 5 0 "[ .]" 1
790 1 98 VAL QG 1 100 ASP H . 4.000 5.500 3.166 1.688 4.452 2.312 5 3 "[ -* +]" 1
791 1 90 ALA MB 1 101 GLY H . 4.000 5.500 4.608 4.178 4.848 . 0 0 "[ .]" 1
792 1 100 ASP HB3 1 101 GLY H . 4.000 5.500 4.278 3.717 4.482 0.283 1 0 "[ .]" 1
793 1 100 ASP HB3 1 102 THR H . 4.000 5.500 4.673 3.986 5.135 0.014 1 0 "[ .]" 1
794 1 100 ASP HB2 1 102 THR H 3.500 2.500 5.500 4.611 2.425 5.620 0.120 3 0 "[ .]" 1
795 1 105 CYS H 1 107 ALA H . 4.000 5.500 4.815 3.785 5.559 0.215 3 0 "[ .]" 1
796 1 105 CYS H 1 108 ASP H 3.500 2.500 5.500 3.812 2.824 4.790 . 0 0 "[ .]" 1
797 1 108 ASP H 1 155 TYR QE . 4.000 5.500 4.792 4.360 5.518 0.018 2 0 "[ .]" 1
798 1 110 HIS H 1 126 VAL QG . 4.000 5.500 3.504 2.780 4.395 1.220 3 2 "[ -+ .]" 1
799 1 110 HIS H 1 153 VAL HB 3.500 2.500 5.500 5.357 4.738 6.017 0.517 3 1 "[ + .]" 1
800 1 110 HIS H 1 153 VAL QG . 4.000 5.500 3.356 2.945 4.575 1.055 1 4 "[+* -*]" 1
801 1 110 HIS H 1 153 VAL H . 4.000 5.500 4.421 4.193 4.771 . 0 0 "[ .]" 1
802 1 110 HIS H 1 155 TYR QE . 4.000 5.500 4.561 3.852 5.538 0.148 4 0 "[ .]" 1
803 1 111 ALA H 1 112 GLY HA3 . 4.000 5.500 4.695 4.506 5.329 . 0 0 "[ .]" 1
804 1 111 ALA H 1 112 GLY HA2 . 4.000 5.500 5.418 5.293 5.502 0.002 5 0 "[ .]" 1
805 1 111 ALA H 1 112 GLY H . 4.000 5.500 4.309 4.203 4.469 . 0 0 "[ .]" 1
806 1 111 ALA H 1 126 VAL QG . 4.000 5.500 4.564 4.330 4.817 . 0 0 "[ .]" 1
807 1 111 ALA H 1 126 VAL H . 4.000 5.500 4.721 3.990 5.105 0.010 3 0 "[ .]" 1
808 1 112 GLY H 1 149 VAL QG . 4.000 5.500 4.651 4.467 4.855 . 0 0 "[ .]" 1
809 1 112 GLY H 1 153 VAL QG . 4.000 5.500 4.220 4.030 4.350 . 0 0 "[ .]" 1
810 1 113 ILE H 1 152 PHE QB . 4.000 5.500 4.839 4.514 4.954 . 0 0 "[ .]" 1
811 1 113 ILE H 1 152 PHE H . 4.000 5.500 5.114 4.946 5.265 . 0 0 "[ .]" 1
812 1 114 PHE H 1 114 PHE QE . 4.000 5.500 4.573 4.359 4.788 . 0 0 "[ .]" 1
813 1 114 PHE H 1 115 LEU H . 4.000 5.500 4.486 4.467 4.499 . 0 0 "[ .]" 1
814 1 115 LEU H 1 149 VAL QG . 4.000 5.500 3.983 3.783 4.142 0.217 2 0 "[ .]" 1
815 1 115 LEU H 1 149 VAL H . 4.000 5.500 4.178 3.958 4.473 0.042 5 0 "[ .]" 1
816 1 116 LYS H 1 116 LYS HD2 . 4.000 5.500 4.978 4.880 5.045 . 0 0 "[ .]" 1
817 1 116 LYS H 1 120 HIS H . 4.000 5.500 4.375 3.995 4.725 0.005 3 0 "[ .]" 1
818 1 116 LYS H 1 121 ALA H . 4.000 5.500 5.329 4.863 5.633 0.133 4 0 "[ .]" 1
819 1 116 LYS H 1 122 VAL QG 3.500 3.000 5.500 2.619 2.480 2.690 0.520 2 1 "[ + .]" 1
820 1 118 GLN H 1 119 GLU H . 4.000 5.500 4.403 3.973 4.569 0.027 3 0 "[ .]" 1
821 1 120 HIS H 1 121 ALA MB . 4.000 5.500 4.741 4.667 4.803 . 0 0 "[ .]" 1
822 1 120 HIS HB3 1 121 ALA H 3.500 2.500 5.500 3.699 3.380 4.020 . 0 0 "[ .]" 1
823 1 121 ALA H 1 122 VAL H . 4.000 5.500 4.488 4.363 4.539 . 0 0 "[ .]" 1
824 1 122 VAL H 1 122 VAL HB 3.500 2.500 5.500 3.787 3.748 3.843 . 0 0 "[ .]" 1
825 1 122 VAL H 1 123 PHE H . 4.000 5.500 4.481 4.452 4.517 . 0 0 "[ .]" 1
826 1 123 PHE H 1 123 PHE HA 3.500 3.000 5.500 2.979 2.973 2.984 0.027 5 0 "[ .]" 1
827 1 123 PHE H 1 124 ALA H . 4.000 5.500 4.287 4.246 4.347 . 0 0 "[ .]" 1
828 1 122 VAL HB 1 124 ALA H . 4.000 5.500 5.562 5.510 5.653 0.153 5 0 "[ .]" 1
829 1 122 VAL QG 1 124 ALA H . 4.000 5.500 4.659 4.571 4.717 . 0 0 "[ .]" 1
830 1 111 ALA MB 1 125 CYS H 3.500 2.500 5.500 4.592 4.437 4.700 . 0 0 "[ .]" 1
831 1 125 CYS H 1 126 VAL QG . 4.000 5.500 4.725 4.586 4.839 . 0 0 "[ .]" 1
832 1 125 CYS H 1 126 VAL H . 4.000 5.500 4.093 4.032 4.192 . 0 0 "[ .]" 1
833 1 125 CYS H 1 130 GLY QA 3.500 2.500 5.500 6.748 6.333 7.020 1.520 1 5 [+**-*] 1
834 1 124 ALA MB 1 126 VAL H . 4.000 5.500 5.086 4.841 5.542 0.042 4 0 "[ .]" 1
835 1 126 VAL HB 1 127 THR H 3.500 2.500 5.500 4.420 4.336 4.504 . 0 0 "[ .]" 1
836 1 127 THR H 1 128 SER H . 4.000 5.500 4.426 4.310 4.487 . 0 0 "[ .]" 1
837 1 127 THR H 1 130 GLY QA 3.500 2.500 5.500 3.432 2.898 3.774 . 0 0 "[ .]" 1
838 1 129 ASN H 1 129 ASN HD21 3.500 2.500 5.500 3.975 3.412 4.204 . 0 0 "[ .]" 1
839 1 126 VAL QG 1 130 GLY H . 4.000 5.500 3.116 2.931 3.644 1.069 1 4 "[+ *-*]" 1
840 1 127 THR HA 1 130 GLY H . 4.000 5.500 4.330 4.105 4.436 . 0 0 "[ .]" 1
841 1 128 SER H 1 130 GLY H . 4.000 5.500 4.124 4.008 4.209 . 0 0 "[ .]" 1
842 1 126 VAL QG 1 131 TRP H 3.500 2.500 5.500 3.138 2.385 4.099 0.115 5 0 "[ .]" 1
843 1 131 TRP H 1 131 TRP HE1 3.500 2.500 5.500 4.022 3.726 4.697 . 0 0 "[ .]" 1
844 1 131 TRP H 1 142 TRP H . 4.000 5.500 5.533 5.135 5.879 0.379 4 0 "[ .]" 1
845 1 126 VAL QG 1 132 TYR H . 4.000 5.500 3.834 3.586 4.194 0.414 5 0 "[ .]" 1
846 1 132 TYR H 1 132 TYR HA 3.500 2.500 5.500 2.949 2.843 2.985 . 0 0 "[ .]" 1
847 1 132 TYR H 1 142 TRP H . 4.000 5.500 4.248 3.883 4.934 0.117 4 0 "[ .]" 1
848 1 132 TYR H 1 133 ALA H . 4.000 5.500 4.420 4.232 4.706 . 0 0 "[ .]" 1
849 1 133 ALA H 1 134 ILE QG 3.500 2.500 5.500 5.485 4.902 6.110 0.610 2 1 "[ + .]" 1
850 1 133 ALA H 1 135 ASP H . 4.000 5.500 5.124 4.513 5.608 0.108 4 0 "[ .]" 1
851 1 133 ALA H 1 140 TYR QD . 4.000 5.500 3.268 2.583 3.914 1.417 1 3 "[+- *]" 1
852 1 123 PHE H 1 134 ILE H . 4.000 5.500 4.212 3.762 4.978 0.238 2 0 "[ .]" 1
853 1 134 ILE HB 1 135 ASP H . 4.000 5.500 4.341 3.978 4.648 0.022 4 0 "[ .]" 1
854 1 134 ILE QG 1 135 ASP H . 4.000 5.500 4.285 4.006 4.434 . 0 0 "[ .]" 1
855 1 135 ASP H 1 138 ASP H . 4.000 5.500 3.637 3.553 3.683 0.447 3 0 "[ .]" 1
856 1 135 ASP H 1 140 TYR QD 3.500 2.500 5.500 3.261 2.750 4.074 . 0 0 "[ .]" 1
857 1 135 ASP H 1 140 TYR H . 4.000 5.500 4.216 3.898 4.594 0.102 2 0 "[ .]" 1
858 1 135 ASP HB3 1 136 ASP H . 4.000 5.500 3.730 3.614 3.995 0.386 2 0 "[ .]" 1
859 1 135 ASP HB2 1 136 ASP H . 4.000 5.500 4.478 4.336 4.568 . 0 0 "[ .]" 1
860 1 136 ASP H 1 137 GLU H . 4.000 5.500 3.872 3.534 4.358 0.466 2 0 "[ .]" 1
861 1 16 ARG H 1 138 ASP H . 4.000 5.500 5.162 4.550 5.705 0.205 1 0 "[ .]" 1
862 1 134 ILE MG 1 138 ASP H . 4.000 5.500 4.735 4.319 5.190 . 0 0 "[ .]" 1
863 1 135 ASP HA 1 138 ASP H 3.500 2.500 5.500 4.807 4.397 5.077 . 0 0 "[ .]" 1
864 1 138 ASP H 1 140 TYR QD 3.500 2.500 5.500 4.675 3.822 5.518 0.018 2 0 "[ .]" 1
865 1 139 PHE H 1 140 TYR QD . 4.000 5.500 4.398 3.780 4.893 0.220 4 0 "[ .]" 1
866 1 140 TYR H 1 140 TYR QD 3.500 2.500 5.500 2.328 1.792 3.065 0.708 2 2 "[ + -]" 1
867 1 124 ALA MB 1 142 TRP H . 4.000 5.500 3.909 3.332 4.486 0.668 2 1 "[ + .]" 1
868 1 140 TYR QD 1 142 TRP H . 4.000 5.500 4.324 3.414 4.996 0.586 1 1 "[+ .]" 1
869 1 33 ARG H 1 35 VAL H . 4.000 5.500 4.776 4.537 4.911 . 0 0 "[ .]" 1
870 1 140 TYR QD 1 143 THR H . 4.000 5.500 6.003 5.691 6.444 0.944 2 2 "[ + -]" 1
871 1 114 PHE QD 1 145 ASP H 3.500 2.500 5.500 4.521 3.872 5.209 . 0 0 "[ .]" 1
872 1 143 THR HG1 1 145 ASP H . 4.000 5.500 3.237 2.710 3.741 1.290 5 4 "[*-* +]" 1
873 1 145 ASP H 1 148 ASP H . 4.000 5.500 5.555 5.362 5.676 0.176 1 0 "[ .]" 1
874 1 114 PHE QD 1 147 SER H . 4.000 5.500 4.369 3.846 4.745 0.154 3 0 "[ .]" 1
875 1 145 ASP HB2 1 147 SER H 3.500 2.500 5.500 3.790 3.034 4.283 . 0 0 "[ .]" 1
876 1 114 PHE QE 1 148 ASP H . 4.000 5.500 4.152 3.071 4.493 0.929 1 1 "[+ .]" 1
877 1 114 PHE QE 1 149 VAL H 3.500 2.500 5.500 4.571 4.262 4.919 . 0 0 "[ .]" 1
878 1 99 VAL QG 1 150 LEU H 3.500 2.500 5.500 3.381 3.000 3.701 . 0 0 "[ .]" 1
879 1 114 PHE QD 1 150 LEU H 3.500 2.500 5.500 4.882 4.330 5.296 . 0 0 "[ .]" 1
880 1 98 VAL HA 1 151 VAL H . 4.000 5.500 4.751 4.147 6.096 0.596 4 1 "[ +.]" 1
881 1 114 PHE HA 1 151 VAL H 3.500 2.500 5.500 5.654 5.269 6.187 0.687 5 1 "[ +]" 1
882 1 151 VAL H 1 151 VAL HA 3.500 2.500 5.500 2.855 2.818 2.902 . 0 0 "[ .]" 1
883 1 151 VAL H 1 152 PHE QB . 4.000 5.500 4.357 3.807 5.025 0.193 2 0 "[ .]" 1
884 1 151 VAL H 1 152 PHE H . 4.000 5.500 4.143 3.881 4.438 0.119 1 0 "[ .]" 1
885 1 112 GLY HA3 1 152 PHE H . 4.000 5.500 4.518 4.393 4.731 . 0 0 "[ .]" 1
886 1 112 GLY HA2 1 152 PHE H . 4.000 5.500 4.911 4.630 5.095 . 0 0 "[ .]" 1
887 1 149 VAL QG 1 152 PHE H 3.500 2.500 5.500 4.263 4.172 4.406 . 0 0 "[ .]" 1
888 1 152 PHE H 1 153 VAL H . 4.000 5.500 4.361 4.308 4.385 . 0 0 "[ .]" 1
889 1 111 ALA HA 1 153 VAL H . 4.000 5.500 4.568 4.508 4.679 . 0 0 "[ .]" 1
890 1 112 GLY H 1 153 VAL H . 4.000 5.500 4.630 4.502 4.691 . 0 0 "[ .]" 1
891 1 155 TYR H 1 155 TYR QE 3.500 2.500 5.500 3.804 3.628 4.065 . 0 0 "[ .]" 1
892 1 155 TYR QE 1 156 ASP H . 4.000 5.500 4.586 3.542 5.018 0.458 5 0 "[ .]" 1
893 1 163 GLU H 1 163 GLU HB3 . 4.000 5.500 3.978 3.829 4.024 0.171 4 0 "[ .]" 1
894 1 165 LYS HB3 1 166 ALA H . 4.000 5.500 4.073 3.861 4.160 0.139 2 0 "[ .]" 1
895 1 165 LYS HB2 1 166 ALA H . 4.000 5.500 4.363 4.316 4.467 . 0 0 "[ .]" 1
896 1 4 THR H 1 5 LEU H 5.000 4.000 6.000 4.544 4.418 4.630 . 0 0 "[ .]" 1
897 1 5 LEU H 1 127 THR HA 5.000 4.000 6.000 4.387 3.929 5.277 0.071 5 0 "[ .]" 1
898 1 6 TYR H 1 127 THR HA 5.000 4.000 6.000 3.887 3.598 4.962 0.402 5 0 "[ .]" 1
899 1 7 ASN H 1 8 GLY H 5.000 4.000 6.000 3.345 3.133 3.603 0.867 1 3 "[+-* .]" 1
900 1 7 ASN H 1 127 THR HA 5.000 4.000 6.000 5.399 3.726 6.181 0.274 2 0 "[ .]" 1
901 1 6 TYR H 1 9 GLU H 5.000 4.000 6.000 5.746 5.105 6.134 0.134 1 0 "[ .]" 1
902 1 13 PHE H 1 14 TYR QD 5.000 4.000 6.000 5.463 5.138 5.694 . 0 0 "[ .]" 1
903 1 13 PHE QE 1 14 TYR H 5.000 4.000 6.000 6.029 5.809 6.244 0.244 1 0 "[ .]" 1
904 1 14 TYR QD 1 15 SER H 5.000 4.000 6.000 3.716 3.437 4.205 0.563 5 2 "[ - +]" 1
905 1 14 TYR H 1 16 ARG H 5.000 4.000 6.000 6.493 5.761 7.500 1.500 5 2 "[ - +]" 1
906 1 22 ASN H 1 24 TRP HE1 5.000 4.000 6.000 5.381 4.952 6.035 0.035 3 0 "[ .]" 1
907 1 23 ALA H 1 24 TRP HE1 5.000 4.000 6.000 5.161 4.958 5.365 . 0 0 "[ .]" 1
908 1 23 ALA H 1 121 ALA MB 5.000 4.000 6.000 4.068 3.937 4.181 0.063 1 0 "[ .]" 1
909 1 24 TRP H 1 25 LEU QB 5.000 4.000 6.000 4.436 4.398 4.491 . 0 0 "[ .]" 1
910 1 25 LEU QB 1 27 ALA H 5.000 4.000 6.000 4.345 4.307 4.382 . 0 0 "[ .]" 1
911 1 25 LEU QB 1 29 LEU H 5.000 4.000 6.000 3.998 3.654 4.392 0.346 2 0 "[ .]" 1
912 1 40 PHE H 1 42 TRP H 5.000 4.000 6.000 5.224 4.899 5.475 . 0 0 "[ .]" 1
913 1 40 PHE H 1 83 LEU QD 5.000 4.000 6.000 5.013 4.855 5.147 . 0 0 "[ .]" 1
914 1 29 LEU QD 1 41 ASP H 5.000 4.000 6.000 4.356 4.170 4.536 . 0 0 "[ .]" 1
915 1 41 ASP H 1 43 VAL QG 5.000 4.000 6.000 4.908 4.878 4.970 . 0 0 "[ .]" 1
916 1 43 VAL H 1 50 LEU QB 5.000 4.000 6.000 5.343 4.599 6.302 0.302 2 0 "[ .]" 1
917 1 29 LEU QD 1 45 SER H 5.000 4.000 6.000 4.344 4.154 4.573 . 0 0 "[ .]" 1
918 1 43 VAL QG 1 45 SER H 5.000 4.000 6.000 4.241 4.062 4.378 . 0 0 "[ .]" 1
919 1 51 THR HB 1 53 GLU H 5.000 4.000 6.000 6.182 5.981 6.279 0.279 2 0 "[ .]" 1
920 1 51 THR H 1 53 GLU H 5.000 4.000 6.000 4.637 4.556 4.681 . 0 0 "[ .]" 1
921 1 52 LEU H 1 53 GLU H 5.000 4.000 6.000 3.222 3.182 3.246 0.818 4 5 [*-*+*] 1
922 1 53 GLU HA 1 55 ILE H 5.000 4.000 6.000 4.699 4.560 5.029 . 0 0 "[ .]" 1
923 1 55 ILE HA 1 57 GLN H 5.000 4.000 6.000 3.817 3.762 3.863 0.238 2 0 "[ .]" 1
924 1 58 LEU H 1 66 LEU QD 5.000 4.000 6.000 4.334 3.465 4.908 0.535 5 1 "[ +]" 1
925 1 59 GLU H 1 66 LEU QD 5.000 4.000 6.000 3.352 2.149 4.080 1.851 5 2 "[- +]" 1
926 1 59 GLU H 1 61 LEU H 5.000 4.000 6.000 4.054 3.976 4.140 0.024 5 0 "[ .]" 1
927 1 76 ILE H 1 78 ASN H 5.000 4.000 6.000 4.349 4.196 4.464 . 0 0 "[ .]" 1
928 1 79 ILE H 1 81 HIS H 5.000 4.000 6.000 5.780 5.646 5.952 . 0 0 "[ .]" 1
929 1 79 ILE H 1 83 LEU QD 5.000 4.000 6.000 4.557 4.253 4.867 . 0 0 "[ .]" 1
930 1 81 HIS H 1 82 LEU HA 5.000 4.000 6.000 5.392 5.120 5.560 . 0 0 "[ .]" 1
931 1 81 HIS HB3 1 83 LEU H 5.000 4.000 6.000 5.453 5.148 5.857 . 0 0 "[ .]" 1
932 1 81 HIS HB2 1 83 LEU H 5.000 4.000 6.000 5.327 5.048 5.610 . 0 0 "[ .]" 1
933 1 83 LEU H 1 85 THR HB 5.000 4.000 6.000 6.102 5.886 6.364 0.364 4 0 "[ .]" 1
934 1 88 GLY H 1 95 GLU H 5.000 4.000 6.000 4.999 4.454 5.972 . 0 0 "[ .]" 1
935 1 109 PHE H 1 153 VAL H 5.000 4.000 6.000 6.403 6.235 6.553 0.553 5 1 "[ +]" 1
936 1 115 LEU H 1 122 VAL QG 5.000 4.000 6.000 3.893 3.719 4.144 0.281 2 0 "[ .]" 1
937 1 118 GLN H 1 120 HIS H 5.000 4.000 6.000 4.688 4.280 5.288 . 0 0 "[ .]" 1
938 1 111 ALA H 1 125 CYS H 5.000 4.000 6.000 6.144 6.013 6.337 0.337 3 0 "[ .]" 1
939 1 125 CYS H 1 131 TRP H 5.000 4.000 6.000 6.564 6.254 6.992 0.992 4 3 "[* +-]" 1
940 1 135 ASP H 1 136 ASP H 5.000 4.000 6.000 4.515 4.436 4.637 . 0 0 "[ .]" 1
941 1 136 ASP H 1 138 ASP H 5.000 4.000 6.000 4.684 4.182 4.995 . 0 0 "[ .]" 1
942 1 135 ASP H 1 139 PHE H 5.000 4.000 6.000 5.340 4.899 5.768 . 0 0 "[ .]" 1
943 1 114 PHE QE 1 147 SER H 5.000 4.000 6.000 3.829 3.433 4.170 0.567 1 1 "[+ .]" 1
944 1 3 LEU HB3 1 3 LEU QD . . 2.200 1.997 1.879 2.150 0.121 1 0 "[ .]" 1
945 1 3 LEU QD 1 13 PHE QD . 3.000 3.000 1.872 1.542 2.208 1.458 4 5 [**-+*] 1
946 1 3 LEU QD 1 134 ILE MD . . 2.200 1.471 1.424 1.490 0.576 5 5 [**-*+] 1
947 1 3 LEU HB2 1 3 LEU HG 2.500 . 3.000 2.608 2.425 2.817 . 0 0 "[ .]" 1
948 1 14 TYR HA 1 14 TYR HB3 2.500 . 3.000 2.516 2.505 2.535 . 0 0 "[ .]" 1
949 1 14 TYR HA 1 14 TYR HB2 2.500 . 3.000 3.021 3.015 3.030 0.030 2 0 "[ .]" 1
950 1 14 TYR HA 1 15 SER H 2.500 . 3.000 2.421 2.236 2.537 . 0 0 "[ .]" 1
951 1 23 ALA HA 1 23 ALA MB 2.500 . 3.000 2.133 2.117 2.140 . 0 0 "[ .]" 1
952 1 23 ALA H 1 23 ALA MB . . 2.200 2.015 1.945 2.050 0.055 2 0 "[ .]" 1
953 1 23 ALA MB 1 121 ALA MB 2.500 . 3.000 1.834 1.793 1.960 0.207 2 0 "[ .]" 1
954 1 24 TRP HA 1 24 TRP HB3 2.500 . 3.000 2.434 2.382 2.475 . 0 0 "[ .]" 1
955 1 24 TRP HA 1 24 TRP HB2 . 3.000 3.000 3.072 3.061 3.078 0.078 3 0 "[ .]" 1
956 1 24 TRP HA 1 121 ALA MB . . 2.200 2.201 2.061 2.283 0.083 2 0 "[ .]" 1
957 1 25 LEU MD1 1 25 LEU MD2 . . 2.200 1.895 1.804 1.991 0.196 2 0 "[ .]" 1
958 1 25 LEU QD 1 25 LEU HG . . 2.200 1.873 1.867 1.879 0.133 2 0 "[ .]" 1
959 1 25 LEU QD 1 54 ALA MB . . 2.200 1.690 1.588 1.747 0.412 1 0 "[ .]" 1
960 1 25 LEU QD 1 55 ILE MD . . 2.200 1.719 1.563 1.865 0.437 2 0 "[ .]" 1
961 1 25 LEU QD 1 55 ILE QG . 3.000 3.000 1.451 1.349 1.546 1.651 3 5 [*-+**] 1
962 1 25 LEU HA 1 25 LEU QD . . 2.200 1.911 1.857 1.956 0.143 3 0 "[ .]" 1
963 1 25 LEU QD 1 55 ILE MG 2.500 . 3.000 1.805 1.581 2.071 0.419 3 0 "[ .]" 1
964 1 28 ILE HA 1 28 ILE MD 2.500 . 3.000 3.000 1.965 3.906 0.906 3 1 "[ + .]" 1
965 1 28 ILE HB 1 28 ILE MD . . 2.200 2.749 2.269 3.064 0.864 1 3 "[+* -]" 1
966 1 28 ILE MD 1 75 VAL MG2 . . 2.200 2.224 1.849 3.184 0.984 5 1 "[ +]" 1
967 1 28 ILE HA 1 28 ILE MG 2.500 . 3.000 2.337 1.959 2.653 0.041 1 0 "[ .]" 1
968 1 28 ILE HB 1 28 ILE MG . . 2.200 2.064 2.025 2.078 . 0 0 "[ .]" 1
969 1 28 ILE MD 1 28 ILE MG . . 2.200 1.824 1.363 3.059 0.859 4 3 "[ -+*]" 1
970 1 29 LEU HA 1 29 LEU QD . . 2.200 1.746 1.595 1.820 0.405 2 0 "[ .]" 1
971 1 31 LEU HA 1 31 LEU MD1 . . 2.200 1.824 1.729 1.942 0.271 4 0 "[ .]" 1
972 1 35 VAL HA 1 35 VAL HB . 3.000 3.000 3.012 3.000 3.020 0.020 3 0 "[ .]" 1
973 1 35 VAL HA 1 35 VAL MG1 2.500 . 3.000 2.408 2.249 2.512 . 0 0 "[ .]" 1
974 1 35 VAL HB 1 35 VAL QG . . 2.200 1.888 1.886 1.892 0.114 5 0 "[ .]" 1
975 1 35 VAL HA 1 35 VAL MG2 2.500 . 3.000 2.217 2.098 2.404 . 0 0 "[ .]" 1
976 1 35 VAL H 1 35 VAL MG2 2.500 . 3.000 2.365 2.043 2.523 . 0 0 "[ .]" 1
977 1 35 VAL MG2 1 96 VAL QG . . 2.200 1.653 1.537 1.750 0.463 2 0 "[ .]" 1
978 1 35 VAL MG2 1 153 VAL QG 2.500 . 3.000 2.221 2.008 2.348 . 0 0 "[ .]" 1
979 1 36 GLU H 1 36 GLU HA 2.500 . 3.000 2.455 2.366 2.561 . 0 0 "[ .]" 1
980 1 36 GLU HA 1 36 GLU HG3 . . 2.200 2.376 2.348 2.416 0.216 1 0 "[ .]" 1
981 1 43 VAL HB 1 43 VAL QG . . 2.200 1.868 1.859 1.877 0.141 2 0 "[ .]" 1
982 1 29 LEU QD 1 43 VAL QG . 3.000 3.000 1.537 1.517 1.577 1.483 4 5 [**-+*] 1
983 1 43 VAL HA 1 43 VAL QG 2.500 . 3.000 2.015 1.995 2.046 0.005 4 0 "[ .]" 1
984 1 44 TYR HA 1 44 TYR HB3 2.500 . 3.000 2.628 2.545 2.730 . 0 0 "[ .]" 1
985 1 45 SER HA 1 45 SER HB2 2.500 . 3.000 2.636 2.506 3.052 0.052 4 0 "[ .]" 1
986 1 52 LEU HA 1 52 LEU QB . . 2.200 2.157 2.141 2.170 . 0 0 "[ .]" 1
987 1 54 ALA HA 1 54 ALA MB . . 2.200 2.110 2.103 2.123 . 0 0 "[ .]" 1
988 1 43 VAL QG 1 54 ALA MB . . 2.200 1.627 1.598 1.676 0.402 3 0 "[ .]" 1
989 1 54 ALA H 1 54 ALA MB . . 2.200 1.900 1.848 1.926 0.152 5 0 "[ .]" 1
990 1 55 ILE HA 1 55 ILE HB 2.500 . 3.000 2.829 2.738 2.906 . 0 0 "[ .]" 1
991 1 55 ILE HA 1 55 ILE MG . . 2.200 1.941 1.866 1.972 0.134 2 0 "[ .]" 1
992 1 55 ILE QG 1 55 ILE MG . . 2.200 1.963 1.826 2.097 0.174 2 0 "[ .]" 1
993 1 57 GLN HA 1 57 GLN HB2 2.500 . 3.000 2.539 2.529 2.568 . 0 0 "[ .]" 1
994 1 61 LEU QB 1 61 LEU QD 2.500 . 3.000 1.795 1.768 1.826 0.232 3 0 "[ .]" 1
995 1 61 LEU QD 1 61 LEU HG . . 2.200 1.901 1.892 1.909 0.108 3 0 "[ .]" 1
996 1 58 LEU QD 1 62 THR HG1 . . 2.200 1.440 1.361 1.576 0.639 5 4 "[- **+]" 1
997 1 62 THR HG1 1 75 VAL MG1 2.500 . 3.000 2.096 1.837 2.438 0.163 4 0 "[ .]" 1
998 1 66 LEU MD1 1 66 LEU MD2 . . 2.200 1.909 1.818 2.028 0.182 2 0 "[ .]" 1
999 1 64 LEU MD1 1 66 LEU HG 2.500 . 3.000 2.524 1.920 2.871 0.080 1 0 "[ .]" 1
1000 1 55 ILE MD 1 67 HIS HA 2.500 . 3.000 1.943 1.691 2.426 0.309 2 0 "[ .]" 1
1001 1 67 HIS HA 1 67 HIS QB . . 2.200 2.215 2.178 2.310 0.110 3 0 "[ .]" 1
1002 1 67 HIS HA 1 67 HIS HB3 2.500 . 3.000 2.350 2.300 2.396 . 0 0 "[ .]" 1
1003 1 67 HIS HA 1 67 HIS HB2 2.500 . 3.000 2.726 2.604 3.029 0.029 3 0 "[ .]" 1
1004 1 72 PRO HB3 1 72 PRO QG 2.500 . 3.000 2.243 2.237 2.248 . 0 0 "[ .]" 1
1005 1 72 PRO HB2 1 72 PRO QG 2.500 . 3.000 2.183 2.180 2.186 . 0 0 "[ .]" 1
1006 1 72 PRO HD3 1 72 PRO QG 2.500 . 3.000 2.255 2.243 2.268 . 0 0 "[ .]" 1
1007 1 72 PRO HD2 1 72 PRO QG 2.500 . 3.000 2.181 2.173 2.187 . 0 0 "[ .]" 1
1008 1 73 ALA H 1 73 ALA MB . . 2.200 1.996 1.924 2.058 0.076 3 0 "[ .]" 1
1009 1 75 VAL HA 1 75 VAL MG1 . . 2.200 1.908 1.835 1.973 0.165 5 0 "[ .]" 1
1010 1 75 VAL HA 1 75 VAL MG2 . . 2.200 2.362 2.264 2.470 0.270 5 0 "[ .]" 1
1011 1 75 VAL HB 1 75 VAL MG1 . . 2.200 2.113 2.099 2.132 . 0 0 "[ .]" 1
1012 1 75 VAL HB 1 75 VAL MG2 . . 2.200 2.116 2.099 2.127 . 0 0 "[ .]" 1
1013 1 75 VAL MG1 1 79 ILE MD 2.500 . 3.000 1.897 1.768 2.067 0.232 5 0 "[ .]" 1
1014 1 66 LEU QD 1 75 VAL MG2 . . 2.200 1.679 1.556 1.778 0.444 3 0 "[ .]" 1
1015 1 75 VAL H 1 75 VAL MG2 2.500 . 3.000 2.081 1.999 2.164 0.001 4 0 "[ .]" 1
1016 1 82 LEU HA 1 82 LEU QB 2.500 . 3.000 2.345 2.320 2.376 . 0 0 "[ .]" 1
1017 1 82 LEU MD1 1 82 LEU MD2 . . 2.200 1.994 1.984 2.007 0.016 4 0 "[ .]" 1
1018 1 82 LEU HA 1 82 LEU HG . 3.000 3.000 3.438 3.313 3.528 0.528 5 2 "[ - +]" 1
1019 1 82 LEU QB 1 82 LEU HG 2.500 . 3.000 2.112 2.101 2.125 . 0 0 "[ .]" 1
1020 1 83 LEU HA 1 83 LEU QD . . 2.200 1.732 1.656 1.900 0.344 1 0 "[ .]" 1
1021 1 83 LEU HB2 1 83 LEU QD . . 2.200 2.129 2.014 2.301 0.101 3 0 "[ .]" 1
1022 1 85 THR HA 1 85 THR HG1 . . 2.200 2.330 2.226 2.565 0.365 5 0 "[ .]" 1
1023 1 85 THR HA 1 86 GLY H 2.500 . 3.000 2.711 2.235 3.416 0.416 5 0 "[ .]" 1
1024 1 85 THR HG1 1 87 ILE MD . . 2.200 1.650 1.527 2.017 0.473 4 0 "[ .]" 1
1025 1 87 ILE HA 1 87 ILE MD 2.500 . 3.000 1.774 1.666 1.912 0.334 2 0 "[ .]" 1
1026 1 87 ILE HA 1 87 ILE MG 2.500 . 3.000 2.299 2.159 2.444 . 0 0 "[ .]" 1
1027 1 87 ILE HB 1 87 ILE MG . . 2.200 2.092 2.078 2.109 . 0 0 "[ .]" 1
1028 1 87 ILE MG 1 96 VAL QG 2.500 . 3.000 1.961 1.693 2.815 0.307 3 0 "[ .]" 1
1029 1 89 THR HA 1 89 THR HG1 2.500 . 3.000 2.012 1.965 2.048 0.035 4 0 "[ .]" 1
1030 1 89 THR HA 1 98 VAL QG . 3.000 3.000 1.916 1.689 2.532 1.311 2 4 "[*+* -]" 1
1031 1 90 ALA HA 1 90 ALA MB . . 2.200 2.098 2.073 2.123 . 0 0 "[ .]" 1
1032 1 90 ALA H 1 90 ALA MB 2.500 . 3.000 1.973 1.906 2.111 0.094 2 0 "[ .]" 1
1033 1 90 ALA MB 1 102 THR HG1 . . 2.200 1.586 1.529 1.677 0.471 5 0 "[ .]" 1
1034 1 94 SER HA 1 94 SER HB3 2.500 . 3.000 2.743 2.556 2.975 . 0 0 "[ .]" 1
1035 1 96 VAL HA 1 96 VAL QG 2.500 . 3.000 2.378 2.094 2.529 . 0 0 "[ .]" 1
1036 1 87 ILE MD 1 96 VAL QG 2.500 . 3.000 1.722 1.480 2.510 0.520 2 1 "[ + .]" 1
1037 1 96 VAL HB 1 96 VAL QG . . 2.200 1.889 1.878 1.898 0.122 2 0 "[ .]" 1
1038 1 98 VAL HB 1 98 VAL QG . . 2.200 1.867 1.852 1.877 0.148 3 0 "[ .]" 1
1039 1 99 VAL HA 1 99 VAL QG . . 2.200 2.183 1.976 2.375 0.175 2 0 "[ .]" 1
1040 1 99 VAL QG 1 150 LEU QD . . 2.200 1.632 1.422 1.954 0.578 1 1 "[+ .]" 1
1041 1 99 VAL QG 1 149 VAL QG . 3.000 3.000 2.388 1.928 2.730 1.072 5 3 "[ * -+]" 1
1042 1 102 THR HG1 1 103 ASP H 2.500 . 3.000 2.403 1.904 2.940 0.096 2 0 "[ .]" 1
1043 1 106 LEU HA 1 106 LEU QB . . 2.200 2.510 2.484 2.527 0.327 4 0 "[ .]" 1
1044 1 106 LEU HA 1 106 LEU MD2 . . 2.200 1.894 1.798 2.012 0.202 2 0 "[ .]" 1
1045 1 106 LEU HA 1 106 LEU MD1 . . 2.200 2.217 1.997 2.582 0.382 2 0 "[ .]" 1
1046 1 106 LEU MD1 1 143 THR HG1 . . 2.200 1.621 1.604 1.654 0.396 2 0 "[ .]" 1
1047 1 106 LEU MD2 1 143 THR HG1 2.500 . 3.000 1.900 1.683 2.084 0.317 5 0 "[ .]" 1
1048 1 106 LEU QD 1 106 LEU HG . . 2.200 1.887 1.878 1.901 0.122 3 0 "[ .]" 1
1049 1 107 ALA HA 1 107 ALA MB . . 2.200 2.119 2.103 2.138 . 0 0 "[ .]" 1
1050 1 34 TYR QD 1 111 ALA MB 2.500 . 3.000 2.677 2.348 2.960 . 0 0 "[ .]" 1
1051 1 111 ALA HA 1 111 ALA MB . . 2.200 2.101 2.081 2.124 . 0 0 "[ .]" 1
1052 1 111 ALA MB 1 112 GLY H 2.500 . 3.000 2.580 2.460 2.741 . 0 0 "[ .]" 1
1053 1 111 ALA MB 1 153 VAL HB . . 2.200 1.755 1.654 1.925 0.346 5 0 "[ .]" 1
1054 1 111 ALA MB 1 153 VAL QG 2.500 . 3.000 1.686 1.600 1.908 0.400 4 0 "[ .]" 1
1055 1 116 LYS QB 1 122 VAL QG . 3.000 3.000 1.834 1.757 1.893 1.243 4 5 [*-*+*] 1
1056 1 122 VAL HB 1 122 VAL QG . . 2.200 1.890 1.880 1.900 0.120 1 0 "[ .]" 1
1057 1 114 PHE HB2 1 122 VAL QG 2.500 . 3.000 1.883 1.683 2.288 0.317 1 0 "[ .]" 1
1058 1 124 ALA HA 1 124 ALA MB . . 2.200 2.098 2.087 2.108 . 0 0 "[ .]" 1
1059 1 124 ALA MB 1 125 CYS HA 2.500 . 3.000 3.685 3.656 3.733 0.733 5 5 [***-+] 1
1060 1 124 ALA MB 1 125 CYS H 2.500 . 3.000 2.414 2.345 2.496 . 0 0 "[ .]" 1
1061 1 124 ALA MB 1 133 ALA MB . . 2.200 1.656 1.624 1.733 0.376 4 0 "[ .]" 1
1062 1 126 VAL HA 1 126 VAL QG . . 2.200 1.919 1.840 1.988 0.160 2 0 "[ .]" 1
1063 1 126 VAL HA 1 127 THR H 2.500 . 3.000 2.134 2.068 2.198 . 0 0 "[ .]" 1
1064 1 126 VAL HB 1 126 VAL QG . . 2.200 1.878 1.874 1.882 0.126 2 0 "[ .]" 1
1065 1 6 TYR QB 1 126 VAL QG . . 2.200 1.712 1.662 1.775 0.338 1 0 "[ .]" 1
1066 1 127 THR HA 1 127 THR HG1 . . 2.200 2.206 2.159 2.241 0.041 1 0 "[ .]" 1
1067 1 128 SER HA 1 128 SER HB2 2.500 . 3.000 2.566 2.435 3.046 0.046 2 0 "[ .]" 1
1068 1 133 ALA HA 1 133 ALA MB 2.500 . 3.000 2.127 2.118 2.135 . 0 0 "[ .]" 1
1069 1 133 ALA H 1 133 ALA MB . . 2.200 2.370 2.151 2.604 0.404 5 0 "[ .]" 1
1070 1 142 TRP QB 1 143 THR HG1 2.500 . 3.000 3.731 2.791 4.663 1.663 5 3 "[* -+]" 1
1071 1 134 ILE HA 1 134 ILE MD . 3.000 3.000 3.468 2.534 3.976 0.976 4 3 "[- *+.]" 1
1072 1 13 PHE QD 1 134 ILE MD 2.500 . 3.000 2.499 2.340 2.861 . 0 0 "[ .]" 1
1073 1 13 PHE QE 1 134 ILE MD . . 2.200 2.464 2.191 2.844 0.644 4 1 "[ +.]" 1
1074 1 134 ILE HB 1 134 ILE MD . . 2.200 2.037 1.894 2.185 0.106 3 0 "[ .]" 1
1075 1 134 ILE MD 1 134 ILE QG . . 2.200 1.876 1.855 1.905 0.145 3 0 "[ .]" 1
1076 1 134 ILE HA 1 134 ILE MG 2.500 . 3.000 2.414 1.988 3.072 0.072 2 0 "[ .]" 1
1077 1 134 ILE HB 1 134 ILE MG . . 2.200 2.084 2.074 2.090 . 0 0 "[ .]" 1
1078 1 134 ILE QG 1 134 ILE MG 2.500 . 3.000 1.964 1.822 2.203 0.178 4 0 "[ .]" 1
1079 1 134 ILE H 1 134 ILE MG 2.500 . 3.000 3.010 2.456 3.677 0.677 1 1 "[+ .]" 1
1080 1 138 ASP HA 1 138 ASP QB 2.500 . 3.000 2.324 2.192 2.467 . 0 0 "[ .]" 1
1081 1 139 PHE HA 1 139 PHE HB3 2.500 . 3.000 2.498 2.466 2.578 . 0 0 "[ .]" 1
1082 1 139 PHE HA 1 140 TYR H 2.500 . 3.000 2.132 2.024 2.173 . 0 0 "[ .]" 1
1083 1 131 TRP QB 1 143 THR HA 2.500 . 3.000 2.880 1.767 3.985 0.985 3 1 "[ + .]" 1
1084 1 143 THR HA 1 143 THR HG1 . . 2.200 1.969 1.928 2.052 0.072 2 0 "[ .]" 1
1085 1 149 VAL HA 1 149 VAL HB 2.500 . 3.000 2.250 2.176 2.343 . 0 0 "[ .]" 1
1086 1 149 VAL HA 1 149 VAL QG . 3.000 3.000 2.519 2.423 2.567 0.577 3 1 "[ + .]" 1
1087 1 114 PHE QD 1 149 VAL QG . . 2.200 2.155 1.987 2.287 0.087 1 0 "[ .]" 1
1088 1 149 VAL HB 1 149 VAL QG . . 2.200 1.855 1.845 1.860 0.155 3 0 "[ .]" 1
1089 1 153 VAL HB 1 153 VAL QG . . 2.200 1.878 1.866 1.890 0.134 3 0 "[ .]" 1
1090 1 3 LEU QD 1 3 LEU HG 2.000 . 2.200 1.899 1.887 1.908 . 0 0 "[ .]" 1
1091 1 25 LEU QD 1 29 LEU QD 2.000 . 2.200 1.749 1.539 1.939 0.261 4 0 "[ .]" 1
1092 1 35 VAL HB 1 35 VAL MG1 2.000 . 2.200 2.122 2.105 2.139 . 0 0 "[ .]" 1
1093 1 35 VAL HB 1 35 VAL MG2 2.000 . 2.200 2.117 2.095 2.133 . 0 0 "[ .]" 1
1094 1 25 LEU QB 1 43 VAL QG 2.000 . 2.200 2.156 1.906 2.621 0.421 2 0 "[ .]" 1
1095 1 43 VAL MG1 1 43 VAL MG2 2.000 . 2.200 1.888 1.846 1.952 . 0 0 "[ .]" 1
1096 1 73 ALA HA 1 73 ALA MB 2.000 . 2.200 2.101 2.090 2.127 . 0 0 "[ .]" 1
1097 1 83 LEU MD1 1 83 LEU MD2 2.000 . 2.200 1.946 1.918 1.970 . 0 0 "[ .]" 1
1098 1 99 VAL HB 1 99 VAL QG 2.000 . 2.200 1.882 1.871 1.893 . 0 0 "[ .]" 1
1099 1 149 VAL MG1 1 149 VAL MG2 2.000 . 2.200 1.917 1.814 1.956 . 0 0 "[ .]" 1
1100 1 166 ALA HA 1 166 ALA MB 2.000 . 2.200 2.138 2.132 2.140 . 0 0 "[ .]" 1
1101 1 3 LEU HA 1 3 LEU QD 4.000 3.000 6.000 2.882 1.856 3.344 1.144 2 1 "[ + .]" 1
1102 1 3 LEU HG 1 13 PHE QD 4.000 3.000 6.000 3.456 2.869 4.108 0.131 5 0 "[ .]" 1
1103 1 3 LEU HG 1 139 PHE QD 4.000 3.000 6.000 4.418 2.609 4.963 0.391 1 0 "[ .]" 1
1104 1 12 THR HA 1 12 THR HG1 4.000 3.000 6.000 2.349 2.286 2.568 0.714 2 4 "[*+ -*]" 1
1105 1 24 TRP HA 1 113 ILE MG 4.000 3.000 6.000 5.256 5.065 5.786 . 0 0 "[ .]" 1
1106 1 24 TRP HB2 1 121 ALA MB 4.000 3.000 6.000 4.349 4.267 4.520 . 0 0 "[ .]" 1
1107 1 28 ILE HA 1 28 ILE QG 4.000 3.000 6.000 3.135 2.543 3.339 0.457 4 0 "[ .]" 1
1108 1 29 LEU H 1 29 LEU QD 4.000 3.000 6.000 2.246 1.845 3.372 1.155 1 4 "[+ -**]" 1
1109 1 31 LEU MD1 1 124 ALA H 4.000 3.000 6.000 5.205 4.991 5.354 . 0 0 "[ .]" 1
1110 1 35 VAL HB 1 96 VAL QG 4.000 3.000 6.000 3.477 3.290 3.649 . 0 0 "[ .]" 1
1111 1 35 VAL HB 1 153 VAL QG 4.000 3.000 6.000 4.512 4.363 4.711 . 0 0 "[ .]" 1
1112 1 42 TRP HA 1 44 TYR H 4.000 3.000 6.000 5.364 5.048 5.679 . 0 0 "[ .]" 1
1113 1 41 ASP QB 1 42 TRP QB 4.000 3.000 6.000 4.321 4.235 4.445 . 0 0 "[ .]" 1
1114 1 43 VAL QG 1 50 LEU QB 4.000 3.000 6.000 3.852 3.716 3.964 . 0 0 "[ .]" 1
1115 1 44 TYR HA 1 44 TYR HB2 4.000 3.000 6.000 2.759 2.373 3.019 0.627 5 2 "[ - +]" 1
1116 1 45 SER HA 1 45 SER HB3 4.000 3.000 6.000 2.930 2.450 3.055 0.550 4 1 "[ +.]" 1
1117 1 45 SER H 1 45 SER HB3 4.000 3.000 6.000 2.876 2.620 3.635 0.380 5 0 "[ .]" 1
1118 1 45 SER H 1 45 SER HB2 4.000 3.000 6.000 2.613 2.564 2.732 0.436 1 0 "[ .]" 1
1119 1 43 VAL QG 1 54 ALA HA 4.000 3.000 6.000 3.526 3.435 3.636 . 0 0 "[ .]" 1
1120 1 55 ILE HA 1 55 ILE QG 4.000 3.000 6.000 2.929 2.810 3.063 0.190 1 0 "[ .]" 1
1121 1 57 GLN HA 1 57 GLN HB3 4.000 3.000 6.000 3.049 3.042 3.052 . 0 0 "[ .]" 1
1122 1 61 LEU HA 1 61 LEU QD 4.000 3.000 6.000 3.158 3.127 3.194 . 0 0 "[ .]" 1
1123 1 61 LEU H 1 61 LEU QD 4.000 3.000 6.000 3.089 1.772 3.505 1.228 3 1 "[ + .]" 1
1124 1 61 LEU HA 1 61 LEU HG 4.000 3.000 6.000 2.636 2.558 2.747 0.442 2 0 "[ .]" 1
1125 1 61 LEU QB 1 62 THR HG1 4.000 3.000 6.000 2.872 2.639 3.003 0.361 3 0 "[ .]" 1
1126 1 62 THR HA 1 62 THR HG1 4.000 3.000 6.000 2.367 2.296 2.459 0.704 4 5 [*-*+*] 1
1127 1 62 THR HG1 1 75 VAL HA 4.000 3.000 6.000 1.938 1.791 2.298 1.209 5 5 [*-**+] 1
1128 1 62 THR HG1 1 79 ILE MD 4.000 3.000 6.000 2.615 1.969 3.182 1.031 4 2 "[ -+.]" 1
1129 1 55 ILE MD 1 66 LEU QD 4.000 3.000 6.000 2.714 1.999 3.253 1.001 4 2 "[ - +.]" 1
1130 1 55 ILE MG 1 67 HIS HA 4.000 3.000 6.000 4.283 3.823 4.929 . 0 0 "[ .]" 1
1131 1 67 HIS H 1 67 HIS HA 4.000 3.000 6.000 2.799 2.761 2.832 0.239 2 0 "[ .]" 1
1132 1 67 HIS H 1 67 HIS HB3 4.000 3.000 6.000 2.990 2.749 3.611 0.251 4 0 "[ .]" 1
1133 1 67 HIS H 1 67 HIS HB2 4.000 3.000 6.000 3.431 2.780 3.624 0.220 3 0 "[ .]" 1
1134 1 75 VAL HA 1 75 VAL HB 4.000 3.000 6.000 2.980 2.965 2.990 0.035 5 0 "[ .]" 1
1135 1 74 LEU H 1 75 VAL HB 4.000 3.000 6.000 5.707 5.311 5.865 . 0 0 "[ .]" 1
1136 1 75 VAL H 1 75 VAL HB 4.000 3.000 6.000 2.814 2.725 2.919 0.275 3 0 "[ .]" 1
1137 1 66 LEU QD 1 75 VAL MG1 4.000 3.000 6.000 2.803 2.042 3.223 0.958 5 1 "[ +]" 1
1138 1 79 ILE MD 1 82 LEU HG 4.000 3.000 6.000 5.009 4.849 5.108 . 0 0 "[ .]" 1
1139 1 81 HIS HB2 1 82 LEU HG 4.000 3.000 6.000 5.820 5.661 6.028 0.028 3 0 "[ .]" 1
1140 1 82 LEU H 1 82 LEU HG 4.000 3.000 6.000 4.069 3.969 4.164 . 0 0 "[ .]" 1
1141 1 83 LEU HA 1 83 LEU HB2 4.000 3.000 6.000 2.741 2.663 2.997 0.337 4 0 "[ .]" 1
1142 1 83 LEU HB3 1 84 HIS HB3 4.000 3.000 6.000 4.866 4.118 5.721 . 0 0 "[ .]" 1
1143 1 83 LEU HB2 1 84 HIS HB3 4.000 3.000 6.000 6.127 5.683 6.598 0.598 5 1 "[ +]" 1
1144 1 84 HIS HA 1 84 HIS HB3 4.000 3.000 6.000 2.865 2.554 3.060 0.446 4 0 "[ .]" 1
1145 1 84 HIS HA 1 84 HIS HB2 4.000 3.000 6.000 2.669 2.524 3.042 0.476 4 0 "[ .]" 1
1146 1 85 THR HA 1 85 THR HB 4.000 3.000 6.000 2.696 2.434 3.023 0.566 5 2 "[ - +]" 1
1147 1 89 THR HA 1 89 THR HB 4.000 3.000 6.000 2.982 2.821 3.027 0.179 4 0 "[ .]" 1
1148 1 94 SER HA 1 94 SER HB2 4.000 3.000 6.000 2.930 2.764 3.033 0.236 3 0 "[ .]" 1
1149 1 96 VAL QG 1 97 CYS H 4.000 3.000 6.000 3.216 2.793 3.454 0.207 5 0 "[ .]" 1
1150 1 97 CYS H 1 97 CYS HB2 4.000 3.000 6.000 2.979 2.801 3.272 0.199 5 0 "[ .]" 1
1151 1 97 CYS HB2 1 152 PHE QE 4.000 3.000 6.000 3.949 3.312 4.302 . 0 0 "[ .]" 1
1152 1 106 LEU H 1 106 LEU HA 4.000 3.000 6.000 2.693 2.438 2.873 0.562 5 1 "[ +]" 1
1153 1 106 LEU HA 1 109 PHE QD 4.000 3.000 6.000 5.625 4.629 6.254 0.254 2 0 "[ .]" 1
1154 1 106 LEU HA 1 109 PHE QE 4.000 3.000 6.000 5.252 3.625 5.883 . 0 0 "[ .]" 1
1155 1 106 LEU HA 1 106 LEU HG 4.000 3.000 6.000 3.457 3.414 3.515 . 0 0 "[ .]" 1
1156 1 24 TRP HB3 1 121 ALA MB 4.000 3.000 6.000 3.986 3.892 4.151 . 0 0 "[ .]" 1
1157 1 121 ALA MB 1 122 VAL QG 4.000 3.000 6.000 3.767 3.716 3.821 . 0 0 "[ .]" 1
1158 1 122 VAL HA 1 122 VAL HB 4.000 3.000 6.000 2.548 2.542 2.562 0.458 5 0 "[ .]" 1
1159 1 122 VAL HA 1 122 VAL QG 4.000 3.000 6.000 2.295 2.230 2.373 0.770 1 5 [+***-] 1
1160 1 113 ILE HA 1 123 PHE HA 4.000 3.000 6.000 2.999 2.892 3.223 0.108 5 0 "[ .]" 1
1161 1 122 VAL QG 1 123 PHE HA 4.000 3.000 6.000 3.568 3.413 3.653 . 0 0 "[ .]" 1
1162 1 123 PHE HA 1 123 PHE HB3 4.000 3.000 6.000 2.749 2.436 3.037 0.564 5 1 "[ +]" 1
1163 1 123 PHE HA 1 123 PHE HB2 4.000 3.000 6.000 2.765 2.348 3.042 0.652 4 2 "[ - +.]" 1
1164 1 123 PHE HA 1 124 ALA H 4.000 3.000 6.000 2.336 2.306 2.377 0.694 4 5 [*-*+*] 1
1165 1 111 ALA MB 1 125 CYS HA 4.000 3.000 6.000 2.427 2.110 2.675 0.890 2 2 "[ + -]" 1
1166 1 125 CYS HA 1 125 CYS HB3 4.000 3.000 6.000 2.924 2.603 3.066 0.397 4 0 "[ .]" 1
1167 1 125 CYS HA 1 125 CYS HB2 4.000 3.000 6.000 2.662 2.539 2.906 0.461 4 0 "[ .]" 1
1168 1 125 CYS HA 1 126 VAL QG 4.000 3.000 6.000 3.745 3.498 3.872 . 0 0 "[ .]" 1
1169 1 125 CYS HA 1 127 THR HG1 4.000 3.000 6.000 4.807 4.759 4.855 . 0 0 "[ .]" 1
1170 1 126 VAL HA 1 126 VAL HB 4.000 3.000 6.000 2.986 2.980 2.991 0.020 2 0 "[ .]" 1
1171 1 6 TYR QB 1 126 VAL HB 4.000 3.000 6.000 2.350 1.948 2.634 1.052 3 3 "[ +*-]" 1
1172 1 125 CYS HA 1 126 VAL HB 4.000 3.000 6.000 4.725 4.616 4.932 . 0 0 "[ .]" 1
1173 1 126 VAL QG 1 131 TRP HE1 4.000 3.000 6.000 4.416 2.699 5.134 0.301 1 0 "[ .]" 1
1174 1 126 VAL QG 1 127 THR HA 4.000 3.000 6.000 3.761 3.265 4.006 . 0 0 "[ .]" 1
1175 1 127 THR HA 1 127 THR HB 4.000 3.000 6.000 2.543 2.512 2.582 0.488 3 0 "[ .]" 1
1176 1 130 GLY QA 1 131 TRP QB 4.000 3.000 6.000 4.392 4.193 4.483 . 0 0 "[ .]" 1
1177 1 134 ILE HA 1 134 ILE HB 4.000 3.000 6.000 2.733 2.462 3.011 0.538 3 1 "[ + .]" 1
1178 1 134 ILE HA 1 134 ILE QG 4.000 3.000 6.000 2.757 2.260 3.338 0.740 5 3 "[-* +]" 1
1179 1 134 ILE HA 1 139 PHE HA 4.000 3.000 6.000 2.402 2.256 2.686 0.744 2 4 [*+-*.] 1
1180 1 3 LEU QD 1 134 ILE QG 4.000 3.000 6.000 2.175 1.652 3.189 1.348 1 4 "[+ *-*]" 1
1181 1 133 ALA MB 1 139 PHE HA 4.000 3.000 6.000 4.818 4.540 4.998 . 0 0 "[ .]" 1
1182 1 134 ILE MD 1 139 PHE HA 4.000 3.000 6.000 4.158 3.102 4.754 . 0 0 "[ .]" 1
1183 1 135 ASP H 1 139 PHE HA 4.000 3.000 6.000 3.608 3.146 4.161 . 0 0 "[ .]" 1
1184 1 139 PHE HA 1 139 PHE HB2 4.000 3.000 6.000 2.915 2.392 3.054 0.608 2 1 "[ + .]" 1
1185 1 97 CYS HB3 1 152 PHE QE 4.000 3.000 6.000 3.030 2.238 4.172 0.762 3 1 "[ + .]" 1
1186 1 106 LEU QD 1 143 THR HA 4.000 3.000 6.000 2.710 1.763 3.584 1.237 2 1 "[ + .]" 1
1187 1 143 THR HA 1 143 THR HB 4.000 3.000 6.000 2.824 2.662 3.002 0.338 1 0 "[ .]" 1
1188 1 112 GLY HA2 1 152 PHE HA 4.000 3.000 6.000 2.672 2.435 2.815 0.565 3 1 "[ + .]" 1
1189 1 149 VAL QG 1 152 PHE HA 4.000 3.000 6.000 3.356 3.203 3.623 . 0 0 "[ .]" 1
1190 1 152 PHE HA 1 152 PHE QD 4.000 3.000 6.000 3.602 3.519 3.655 . 0 0 "[ .]" 1
1191 1 152 PHE HA 1 152 PHE QE 4.000 3.000 6.000 5.514 5.444 5.541 . 0 0 "[ .]" 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 162
_Distance_constraint_stats_list.Viol_count 384
_Distance_constraint_stats_list.Viol_total 242.612
_Distance_constraint_stats_list.Viol_max 1.438
_Distance_constraint_stats_list.Viol_rms 0.1201
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0599
_Distance_constraint_stats_list.Viol_average_violations_only 0.1264
_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 MET 0.364 0.121 3 0 "[ .]"
1 3 LEU 0.883 0.126 5 0 "[ .]"
1 5 LEU 2.006 0.518 2 1 "[ + .]"
1 9 GLU 2.006 0.518 2 1 "[ + .]"
1 11 LYS 0.883 0.126 5 0 "[ .]"
1 13 PHE 0.364 0.121 3 0 "[ .]"
1 16 ARG 3.715 1.301 5 1 "[ +]"
1 22 ASN 0.725 0.177 3 0 "[ .]"
1 23 ALA 0.403 0.238 3 0 "[ .]"
1 24 TRP 2.323 0.291 4 0 "[ .]"
1 25 LEU 1.897 0.282 2 0 "[ .]"
1 26 ASN 1.883 0.299 4 0 "[ .]"
1 27 ALA 0.942 0.238 3 0 "[ .]"
1 28 ILE 3.292 0.291 4 0 "[ .]"
1 29 LEU 3.003 0.282 2 0 "[ .]"
1 30 GLN 1.220 0.299 4 0 "[ .]"
1 31 LEU 1.101 0.150 5 0 "[ .]"
1 32 PHE 1.758 0.315 3 0 "[ .]"
1 33 ARG 1.106 0.242 2 0 "[ .]"
1 34 TYR 0.062 0.062 3 0 "[ .]"
1 35 VAL 0.561 0.103 4 0 "[ .]"
1 37 GLU 0.790 0.315 3 0 "[ .]"
1 38 PRO 1.595 0.244 2 0 "[ .]"
1 40 PHE 1.360 0.204 3 0 "[ .]"
1 41 ASP 2.388 0.244 2 0 "[ .]"
1 44 TYR 1.360 0.204 3 0 "[ .]"
1 45 SER 0.793 0.175 3 0 "[ .]"
1 48 GLU 0.624 0.327 2 0 "[ .]"
1 50 LEU 0.729 0.327 2 0 "[ .]"
1 51 THR 0.000 0.000 . 0 "[ .]"
1 52 LEU 0.205 0.075 5 0 "[ .]"
1 53 GLU 0.146 0.061 5 0 "[ .]"
1 54 ALA 0.669 0.153 5 0 "[ .]"
1 55 ILE 0.297 0.074 5 0 "[ .]"
1 56 LYS 1.406 0.213 3 0 "[ .]"
1 57 GLN 1.288 0.282 3 0 "[ .]"
1 58 LEU 1.069 0.221 2 0 "[ .]"
1 59 GLU 0.419 0.122 2 0 "[ .]"
1 60 ASP 1.201 0.213 3 0 "[ .]"
1 61 LEU 1.142 0.282 3 0 "[ .]"
1 62 THR 0.504 0.221 2 0 "[ .]"
1 63 GLY 0.122 0.122 2 0 "[ .]"
1 71 PRO 1.239 0.371 3 0 "[ .]"
1 72 PRO 1.857 0.356 3 0 "[ .]"
1 74 LEU 0.354 0.077 2 0 "[ .]"
1 75 VAL 1.239 0.371 3 0 "[ .]"
1 76 ILE 1.857 0.356 3 0 "[ .]"
1 78 ASN 0.354 0.077 2 0 "[ .]"
1 88 GLY 2.186 0.441 5 0 "[ .]"
1 89 THR 0.085 0.069 5 0 "[ .]"
1 92 ARG 0.085 0.069 5 0 "[ .]"
1 96 VAL 2.186 0.441 5 0 "[ .]"
1 97 CYS 0.598 0.235 5 0 "[ .]"
1 99 VAL 5.254 1.438 4 1 "[ +.]"
1 105 CYS 0.332 0.186 4 0 "[ .]"
1 108 ASP 0.332 0.186 4 0 "[ .]"
1 110 HIS 0.625 0.251 3 0 "[ .]"
1 111 ALA 0.858 0.210 1 0 "[ .]"
1 112 GLY 0.747 0.134 4 0 "[ .]"
1 113 ILE 1.916 0.277 3 0 "[ .]"
1 114 PHE 1.135 0.360 3 0 "[ .]"
1 115 LEU 0.567 0.196 3 0 "[ .]"
1 122 VAL 1.135 0.360 3 0 "[ .]"
1 123 PHE 0.707 0.168 4 0 "[ .]"
1 124 ALA 0.747 0.134 4 0 "[ .]"
1 125 CYS 1.100 0.307 5 0 "[ .]"
1 126 VAL 0.625 0.251 3 0 "[ .]"
1 127 THR 0.035 0.024 3 0 "[ .]"
1 130 GLY 0.035 0.024 3 0 "[ .]"
1 131 TRP 0.226 0.194 4 0 "[ .]"
1 132 TYR 1.100 0.307 5 0 "[ .]"
1 133 ALA 0.316 0.059 3 0 "[ .]"
1 134 ILE 0.707 0.168 4 0 "[ .]"
1 135 ASP 2.223 0.250 4 0 "[ .]"
1 136 ASP 3.715 1.301 5 1 "[ +]"
1 138 ASP 2.223 0.250 4 0 "[ .]"
1 140 TYR 0.316 0.059 3 0 "[ .]"
1 142 TRP 0.226 0.194 4 0 "[ .]"
1 148 ASP 0.567 0.196 3 0 "[ .]"
1 150 LEU 6.597 1.438 4 1 "[ +.]"
1 151 VAL 0.573 0.129 2 0 "[ .]"
1 152 PHE 0.598 0.235 5 0 "[ .]"
1 153 VAL 0.858 0.210 1 0 "[ .]"
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 23 ALA O 1 27 ALA H 2.279 . 2.579 2.304 1.940 2.580 0.039 3 0 "[ .]" 2
2 1 23 ALA O 1 27 ALA N 3.256 2.956 3.556 3.042 2.718 3.262 0.238 3 0 "[ .]" 2
3 1 23 ALA C 1 27 ALA H 3.438 3.138 3.738 3.365 3.013 3.602 0.125 3 0 "[ .]" 2
4 1 25 LEU O 1 29 LEU H 1.956 . 2.256 1.582 1.509 1.729 0.147 4 0 "[ .]" 2
5 1 25 LEU O 1 29 LEU N 2.930 2.630 3.230 2.459 2.348 2.520 0.282 2 0 "[ .]" 2
6 1 25 LEU C 1 29 LEU H 3.149 2.849 3.449 2.729 2.692 2.785 0.157 4 0 "[ .]" 2
7 1 26 ASN O 1 30 GLN H 1.934 . 2.234 1.915 1.641 2.498 0.264 2 0 "[ .]" 2
8 1 26 ASN C 1 30 GLN H 3.139 2.839 3.439 2.699 2.540 2.835 0.299 4 0 "[ .]" 2
9 1 26 ASN O 1 30 GLN N 2.910 2.610 3.210 2.746 2.503 3.235 0.107 4 0 "[ .]" 2
10 1 27 ALA O 1 31 LEU H 2.118 . 2.418 2.144 1.825 2.543 0.125 2 0 "[ .]" 2
11 1 27 ALA C 1 31 LEU H 3.309 3.009 3.609 3.099 2.917 3.424 0.092 5 0 "[ .]" 2
12 1 27 ALA O 1 31 LEU N 3.097 2.797 3.397 2.940 2.647 3.285 0.150 5 0 "[ .]" 2
13 1 28 ILE O 1 32 PHE H 2.078 . 2.378 1.738 1.695 1.840 0.083 5 0 "[ .]" 2
14 1 28 ILE O 1 32 PHE N 3.016 2.716 3.316 2.575 2.513 2.683 0.203 5 0 "[ .]" 2
15 1 29 LEU O 1 33 ARG H 2.153 . 2.453 2.054 1.726 2.695 0.242 2 0 "[ .]" 2
16 1 29 LEU C 1 33 ARG H 3.330 3.030 3.630 3.185 2.901 3.683 0.129 4 0 "[ .]" 2
17 1 29 LEU O 1 33 ARG N 3.103 2.803 3.403 2.980 2.682 3.537 0.134 2 0 "[ .]" 2
18 1 30 GLN O 1 34 TYR H 2.249 . 2.549 2.391 2.246 2.516 . 0 0 "[ .]" 2
19 1 30 GLN C 1 34 TYR H 3.382 3.082 3.682 3.488 3.235 3.678 . 0 0 "[ .]" 2
20 1 30 GLN O 1 34 TYR N 3.110 2.810 3.410 3.311 3.136 3.472 0.062 3 0 "[ .]" 2
21 1 31 LEU O 1 35 VAL H 2.048 . 2.348 2.162 1.872 2.432 0.084 4 0 "[ .]" 2
22 1 31 LEU C 1 35 VAL H 3.221 2.921 3.521 3.300 2.896 3.624 0.103 4 0 "[ .]" 2
23 1 31 LEU O 1 35 VAL N 2.995 2.695 3.295 3.060 2.642 3.390 0.095 4 0 "[ .]" 2
24 1 40 PHE O 1 44 TYR H 2.339 2.039 2.639 2.641 2.335 2.749 0.110 5 0 "[ .]" 2
25 1 40 PHE O 1 44 TYR N 3.191 2.891 3.491 3.481 3.064 3.644 0.153 5 0 "[ .]" 2
26 1 40 PHE C 1 44 TYR H 3.358 3.058 3.658 3.749 3.443 3.862 0.204 3 0 "[ .]" 2
27 1 41 ASP O 1 45 SER H 2.352 2.052 2.652 2.214 1.965 2.761 0.109 2 0 "[ .]" 2
28 1 41 ASP C 1 45 SER H 3.378 3.078 3.678 3.084 3.014 3.185 0.064 3 0 "[ .]" 2
29 1 41 ASP O 1 45 SER N 3.272 2.972 3.572 2.909 2.797 3.090 0.175 3 0 "[ .]" 2
30 1 50 LEU O 1 54 ALA H 2.015 . 2.315 2.239 2.056 2.388 0.073 2 0 "[ .]" 2
31 1 50 LEU C 1 54 ALA H 3.115 2.815 3.415 3.244 3.031 3.349 . 0 0 "[ .]" 2
32 1 50 LEU O 1 54 ALA N 2.979 2.679 3.279 3.056 2.824 3.175 . 0 0 "[ .]" 2
33 1 51 THR O 1 55 ILE H 2.079 . 2.379 2.083 1.975 2.242 . 0 0 "[ .]" 2
34 1 51 THR O 1 55 ILE N 2.988 2.688 3.288 3.035 2.942 3.175 . 0 0 "[ .]" 2
35 1 51 THR C 1 55 ILE H 3.254 2.954 3.554 3.289 3.185 3.446 . 0 0 "[ .]" 2
36 1 52 LEU O 1 56 LYS H 2.156 . 2.456 2.036 1.900 2.134 . 0 0 "[ .]" 2
37 1 52 LEU O 1 56 LYS N 3.105 2.805 3.405 2.923 2.731 3.045 0.074 5 0 "[ .]" 2
38 1 52 LEU C 1 56 LYS H 3.357 3.057 3.657 3.146 2.982 3.281 0.075 5 0 "[ .]" 2
39 1 53 GLU O 1 57 GLN H 2.396 2.096 2.696 2.545 2.293 2.757 0.061 5 0 "[ .]" 2
40 1 53 GLU C 1 57 GLN H 3.608 3.308 3.908 3.384 3.271 3.507 0.037 2 0 "[ .]" 2
41 1 53 GLU O 1 57 GLN N 3.289 2.989 3.589 3.409 3.151 3.617 0.028 5 0 "[ .]" 2
42 1 54 ALA O 1 58 LEU H 2.291 . 2.591 2.649 2.507 2.744 0.153 5 0 "[ .]" 2
43 1 54 ALA O 1 58 LEU N 3.219 2.919 3.519 3.503 3.388 3.632 0.113 5 0 "[ .]" 2
44 1 54 ALA C 1 58 LEU H 3.319 3.019 3.619 3.448 3.319 3.556 . 0 0 "[ .]" 2
45 1 55 ILE O 1 59 GLU H 1.936 . 2.236 1.632 1.601 1.660 0.035 5 0 "[ .]" 2
46 1 55 ILE O 1 59 GLU N 2.880 2.580 3.180 2.541 2.506 2.573 0.074 5 0 "[ .]" 2
47 1 55 ILE C 1 59 GLU H 3.119 2.819 3.419 2.822 2.778 2.863 0.041 5 0 "[ .]" 2
48 1 56 LYS O 1 60 ASP H 2.001 . 2.301 2.451 2.400 2.514 0.213 3 0 "[ .]" 2
49 1 56 LYS O 1 60 ASP N 2.935 2.635 3.235 3.316 3.276 3.379 0.144 2 0 "[ .]" 2
50 1 56 LYS C 1 60 ASP H 3.176 2.876 3.476 3.427 3.325 3.523 0.047 2 0 "[ .]" 2
51 1 57 GLN O 1 61 LEU H 2.293 . 2.593 2.591 2.432 2.750 0.157 3 0 "[ .]" 2
52 1 57 GLN C 1 61 LEU H 3.356 3.056 3.656 3.592 3.475 3.790 0.134 3 0 "[ .]" 2
53 1 57 GLN O 1 61 LEU N 2.937 2.637 3.237 3.382 3.246 3.519 0.282 3 0 "[ .]" 2
54 1 58 LEU O 1 62 THR H 1.979 . 2.279 1.659 1.604 1.738 0.075 2 0 "[ .]" 2
55 1 58 LEU O 1 62 THR N 2.775 2.475 3.075 2.565 2.351 2.671 0.124 2 0 "[ .]" 2
56 1 58 LEU C 1 62 THR H 3.113 2.813 3.413 2.814 2.592 2.916 0.221 2 0 "[ .]" 2
57 1 59 GLU O 1 63 GLY H 1.750 . 2.050 1.903 1.713 2.172 0.122 2 0 "[ .]" 2
58 1 59 GLU O 1 63 GLY N 2.535 2.235 2.835 2.510 2.387 2.732 . 0 0 "[ .]" 2
59 1 59 GLU C 1 63 GLY H 2.614 2.314 2.914 2.551 2.336 2.715 . 0 0 "[ .]" 2
60 1 74 LEU O 1 78 ASN H 2.042 . 2.342 1.864 1.678 2.279 0.064 5 0 "[ .]" 2
61 1 74 LEU C 1 78 ASN H 3.183 2.883 3.483 2.965 2.836 3.411 0.047 4 0 "[ .]" 2
62 1 74 LEU O 1 78 ASN N 2.828 2.528 3.128 2.812 2.618 3.205 0.077 2 0 "[ .]" 2
63 1 105 CYS O 1 108 ASP H 1.702 . 2.002 1.908 1.748 2.048 0.046 4 0 "[ .]" 2
64 1 105 CYS O 1 108 ASP N 2.466 2.166 2.766 2.772 2.617 2.952 0.186 4 0 "[ .]" 2
65 1 105 CYS C 1 108 ASP H 2.816 2.516 3.116 2.820 2.713 3.021 . 0 0 "[ .]" 2
66 1 1 MET O 1 13 PHE N 2.939 2.639 3.239 2.919 2.600 3.085 0.039 2 0 "[ .]" 2
67 1 1 MET O 1 13 PHE H 1.963 . 2.263 2.182 1.918 2.305 0.042 5 0 "[ .]" 2
68 1 1 MET C 1 13 PHE H 3.057 2.757 3.357 3.313 2.860 3.478 0.121 3 0 "[ .]" 2
69 1 3 LEU N 1 11 LYS O 3.047 2.747 3.347 3.080 2.692 3.378 0.055 2 0 "[ .]" 2
70 1 3 LEU H 1 11 LYS O 2.099 . 2.399 2.148 1.733 2.442 0.066 2 0 "[ .]" 2
71 1 3 LEU H 1 11 LYS C 3.270 2.970 3.570 3.149 2.889 3.492 0.081 1 0 "[ .]" 2
72 1 3 LEU O 1 11 LYS N 3.386 3.086 3.686 3.134 3.025 3.494 0.061 3 0 "[ .]" 2
73 1 3 LEU O 1 11 LYS H 2.410 2.110 2.710 2.208 2.088 2.513 0.022 5 0 "[ .]" 2
74 1 3 LEU C 1 11 LYS H 3.539 3.239 3.839 3.192 3.113 3.329 0.126 5 0 "[ .]" 2
75 1 5 LEU N 1 9 GLU O 3.136 2.836 3.436 3.369 2.973 3.641 0.205 4 0 "[ .]" 2
76 1 5 LEU H 1 9 GLU O 2.231 . 2.531 2.604 2.067 3.049 0.518 2 1 "[ + .]" 2
77 1 5 LEU H 1 9 GLU C 3.429 3.129 3.729 3.066 2.746 3.622 0.383 5 0 "[ .]" 2
78 1 88 GLY H 1 96 VAL O 1.674 . 1.974 2.128 1.965 2.415 0.441 5 0 "[ .]" 2
79 1 88 GLY N 1 96 VAL O 2.478 2.178 2.778 3.014 2.898 3.197 0.419 5 0 "[ .]" 2
80 1 88 GLY H 1 96 VAL C 2.839 2.539 3.139 3.128 2.855 3.266 0.127 5 0 "[ .]" 2
81 1 97 CYS N 1 152 PHE O 3.307 3.007 3.607 2.972 2.772 3.281 0.235 5 0 "[ .]" 2
82 1 97 CYS H 1 152 PHE O 2.338 2.038 2.638 2.215 2.111 2.414 . 0 0 "[ .]" 2
83 1 97 CYS H 1 152 PHE C 3.545 3.245 3.845 3.259 3.189 3.350 0.056 4 0 "[ .]" 2
84 1 99 VAL H 1 150 LEU O 1.789 . 2.089 2.578 1.854 3.527 1.438 4 1 "[ +.]" 2
85 1 99 VAL N 1 150 LEU O 2.737 2.437 3.037 3.221 2.815 3.487 0.450 2 0 "[ .]" 2
86 1 99 VAL H 1 150 LEU C 2.887 2.587 3.187 3.236 2.733 4.616 1.429 4 1 "[ +.]" 2
87 1 113 ILE H 1 151 VAL O 1.889 . 2.189 2.147 2.083 2.250 0.061 2 0 "[ .]" 2
88 1 113 ILE N 1 151 VAL O 2.637 2.337 2.937 2.997 2.912 3.066 0.129 2 0 "[ .]" 2
89 1 113 ILE H 1 151 VAL C 2.937 2.637 3.237 3.221 3.082 3.365 0.128 4 0 "[ .]" 2
90 1 113 ILE O 1 150 LEU H 1.935 . 2.235 2.307 1.925 2.512 0.277 3 0 "[ .]" 2
91 1 113 ILE O 1 150 LEU N 2.882 2.582 3.182 3.101 2.849 3.224 0.042 3 0 "[ .]" 2
92 1 113 ILE C 1 150 LEU H 3.141 2.841 3.441 3.502 3.136 3.698 0.257 3 0 "[ .]" 2
93 1 112 GLY H 1 124 ALA O 2.240 . 2.540 2.611 2.564 2.674 0.134 1 0 "[ .]" 2
94 1 112 GLY N 1 124 ALA O 3.101 2.801 3.401 3.315 3.263 3.367 . 0 0 "[ .]" 2
95 1 112 GLY H 1 124 ALA C 3.404 3.104 3.704 3.767 3.627 3.838 0.134 4 0 "[ .]" 2
96 1 114 PHE H 1 122 VAL O 2.185 . 2.485 2.344 2.196 2.526 0.041 4 0 "[ .]" 2
97 1 114 PHE N 1 122 VAL O 3.108 2.808 3.408 3.279 3.091 3.493 0.085 4 0 "[ .]" 2
98 1 114 PHE H 1 122 VAL C 3.272 2.972 3.572 3.356 3.163 3.566 . 0 0 "[ .]" 2
99 1 127 THR N 1 130 GLY O 2.435 2.135 2.735 2.572 2.475 2.733 . 0 0 "[ .]" 2
100 1 127 THR H 1 130 GLY C 2.613 2.313 2.913 2.691 2.618 2.750 . 0 0 "[ .]" 2
101 1 127 THR H 1 130 GLY O 1.500 . 1.800 1.668 1.611 1.811 0.011 4 0 "[ .]" 2
102 1 127 THR O 1 130 GLY H 1.877 . 2.177 1.964 1.755 2.169 . 0 0 "[ .]" 2
103 1 127 THR O 1 130 GLY N 2.812 2.512 3.112 2.916 2.712 3.136 0.024 3 0 "[ .]" 2
104 1 127 THR C 1 130 GLY H 2.562 2.262 2.862 2.602 2.513 2.751 . 0 0 "[ .]" 2
105 1 125 CYS O 1 132 TYR N 3.331 3.031 3.631 3.155 2.793 3.339 0.238 2 0 "[ .]" 2
106 1 125 CYS C 1 132 TYR H 3.509 3.209 3.809 3.049 2.902 3.271 0.307 5 0 "[ .]" 2
107 1 125 CYS O 1 132 TYR H 2.382 2.082 2.682 2.280 2.104 2.423 . 0 0 "[ .]" 2
108 1 123 PHE O 1 134 ILE N 2.806 2.506 3.106 2.787 2.410 2.976 0.096 2 0 "[ .]" 2
109 1 123 PHE C 1 134 ILE H 2.980 2.680 3.280 3.260 2.798 3.445 0.165 3 0 "[ .]" 2
110 1 123 PHE O 1 134 ILE H 1.880 . 2.180 2.099 1.612 2.348 0.168 4 0 "[ .]" 2
111 1 135 ASP N 1 138 ASP O 2.848 2.548 3.148 3.026 2.613 3.374 0.226 4 0 "[ .]" 2
112 1 135 ASP H 1 138 ASP O 2.215 . 2.515 2.378 1.911 2.728 0.213 4 0 "[ .]" 2
113 1 135 ASP H 1 138 ASP C 3.414 3.114 3.714 3.549 3.109 3.948 0.234 4 0 "[ .]" 2
114 1 135 ASP O 1 138 ASP N 2.520 2.220 2.820 2.662 2.430 2.929 0.109 4 0 "[ .]" 2
115 1 135 ASP O 1 138 ASP H 1.549 . 1.849 1.794 1.521 2.016 0.167 3 0 "[ .]" 2
116 1 135 ASP C 1 138 ASP H 2.629 2.329 2.929 2.910 2.504 3.179 0.250 4 0 "[ .]" 2
117 1 133 ALA O 1 140 TYR N 3.333 3.033 3.633 3.191 3.017 3.418 0.016 1 0 "[ .]" 2
118 1 133 ALA O 1 140 TYR H 2.395 2.095 2.695 2.259 2.047 2.528 0.048 1 0 "[ .]" 2
119 1 133 ALA C 1 140 TYR H 3.480 3.180 3.780 3.169 3.121 3.275 0.059 3 0 "[ .]" 2
120 1 133 ALA N 1 140 TYR O 2.755 2.455 3.055 2.639 2.428 2.859 0.027 2 0 "[ .]" 2
121 1 133 ALA H 1 140 TYR O 1.883 . 2.183 1.918 1.799 2.176 . 0 0 "[ .]" 2
122 1 133 ALA H 1 140 TYR C 3.012 2.712 3.312 2.992 2.670 3.339 0.042 2 0 "[ .]" 2
123 1 131 TRP O 1 142 TRP N 2.773 2.473 3.073 2.817 2.662 3.079 0.006 4 0 "[ .]" 2
124 1 131 TRP O 1 142 TRP H 1.802 . 2.102 2.053 1.949 2.296 0.194 4 0 "[ .]" 2
125 1 131 TRP C 1 142 TRP H 2.947 2.647 3.247 2.947 2.731 3.273 0.026 2 0 "[ .]" 2
126 1 24 TRP O 1 28 ILE H 2.235 . 2.535 2.726 2.623 2.826 0.291 4 0 "[ .]" 2
127 1 24 TRP O 1 28 ILE N 3.206 2.906 3.506 3.621 3.520 3.703 0.197 4 0 "[ .]" 2
128 1 24 TRP C 1 28 ILE H 3.358 3.058 3.658 3.817 3.695 3.892 0.234 2 0 "[ .]" 2
129 1 32 PHE O 1 37 GLU H 2.073 . 2.373 2.310 2.034 2.517 0.144 1 0 "[ .]" 2
130 1 32 PHE C 1 37 GLU H 2.925 2.625 3.225 3.250 3.005 3.540 0.315 3 0 "[ .]" 2
131 1 32 PHE O 1 37 GLU N 2.866 2.566 3.166 2.879 2.570 3.121 . 0 0 "[ .]" 2
132 1 22 ASN O 1 26 ASN H 2.151 . 2.451 1.888 1.790 2.056 0.061 3 0 "[ .]" 2
133 1 22 ASN O 1 26 ASN N 3.076 2.776 3.376 2.764 2.686 2.871 0.090 3 0 "[ .]" 2
134 1 22 ASN C 1 26 ASN H 3.330 3.030 3.630 2.935 2.853 3.043 0.177 3 0 "[ .]" 2
135 1 38 PRO O 1 41 ASP H 2.413 2.113 2.713 2.685 2.115 2.957 0.244 2 0 "[ .]" 2
136 1 38 PRO O 1 41 ASP N 3.344 3.044 3.644 3.468 2.944 3.753 0.109 2 0 "[ .]" 2
137 1 38 PRO C 1 41 ASP H 2.988 2.688 3.288 3.397 3.140 3.507 0.219 1 0 "[ .]" 2
138 1 48 GLU O 1 50 LEU H 2.449 2.149 2.749 2.575 2.073 3.076 0.327 2 0 "[ .]" 2
139 1 48 GLU O 1 50 LEU N 2.902 2.602 3.202 2.817 2.537 3.243 0.065 3 0 "[ .]" 2
140 1 48 GLU C 1 50 LEU H 3.229 2.929 3.529 3.178 2.907 3.534 0.022 2 0 "[ .]" 2
141 1 72 PRO O 1 76 ILE H 2.794 2.494 3.094 3.219 2.784 3.450 0.356 3 0 "[ .]" 2
142 1 72 PRO O 1 76 ILE N 3.626 3.326 3.926 4.047 3.685 4.201 0.275 3 0 "[ .]" 2
143 1 72 PRO C 1 76 ILE H 3.525 3.225 3.825 3.763 3.643 3.902 0.077 2 0 "[ .]" 2
144 1 71 PRO C 1 75 VAL H 3.522 3.222 3.822 4.070 3.903 4.193 0.371 3 0 "[ .]" 2
145 1 89 THR H 1 92 ARG O 1.853 . 2.153 1.917 1.822 2.049 . 0 0 "[ .]" 2
146 1 89 THR N 1 92 ARG O 2.674 2.374 2.974 2.722 2.542 2.884 . 0 0 "[ .]" 2
147 1 89 THR H 1 92 ARG C 2.663 2.363 2.963 2.915 2.776 3.032 0.069 5 0 "[ .]" 2
148 1 110 HIS O 1 126 VAL H 1.975 . 2.275 2.162 1.869 2.526 0.251 3 0 "[ .]" 2
149 1 110 HIS O 1 126 VAL N 2.873 2.573 3.173 2.909 2.564 3.236 0.063 3 0 "[ .]" 2
150 1 110 HIS C 1 126 VAL H 2.819 2.519 3.119 3.039 2.739 3.283 0.164 4 0 "[ .]" 2
151 1 111 ALA O 1 153 VAL H 2.127 . 2.427 2.002 1.769 2.446 0.058 3 0 "[ .]" 2
152 1 111 ALA C 1 153 VAL H 3.271 2.971 3.571 2.901 2.761 3.103 0.210 1 0 "[ .]" 2
153 1 111 ALA O 1 153 VAL N 2.991 2.691 3.291 2.777 2.492 3.209 0.199 3 0 "[ .]" 2
154 1 114 PHE O 1 122 VAL H 2.449 2.149 2.749 2.602 2.132 2.839 0.090 3 0 "[ .]" 2
155 1 114 PHE C 1 122 VAL H 3.392 3.092 3.692 3.782 3.338 4.052 0.360 3 0 "[ .]" 2
156 1 114 PHE O 1 122 VAL N 3.362 3.062 3.662 3.467 2.994 3.680 0.068 2 0 "[ .]" 2
157 1 115 LEU H 1 148 ASP O 1.844 . 2.144 1.717 1.535 1.954 0.009 2 0 "[ .]" 2
158 1 115 LEU H 1 148 ASP C 2.970 2.670 3.270 2.581 2.474 2.771 0.196 3 0 "[ .]" 2
159 1 115 LEU N 1 148 ASP O 2.652 2.352 2.952 2.605 2.480 2.799 . 0 0 "[ .]" 2
160 1 16 ARG H 1 136 ASP O 2.062 . 2.362 2.788 2.347 3.663 1.301 5 1 "[ +]" 2
161 1 16 ARG H 1 136 ASP C 2.879 2.579 3.179 3.376 3.212 3.568 0.389 5 0 "[ .]" 2
162 1 16 ARG N 1 136 ASP O 3.031 2.731 3.331 3.076 2.500 3.667 0.336 5 0 "[ .]" 2
stop_
save_