NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408726 |
1z1m   |
6612 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z1m
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 153
_Distance_constraint_stats_list.Viol_count 909
_Distance_constraint_stats_list.Viol_total 7124.399
_Distance_constraint_stats_list.Viol_max 2.816
_Distance_constraint_stats_list.Viol_rms 0.2571
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0808
_Distance_constraint_stats_list.Viol_average_violations_only 0.3266
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 VAL 1.653 0.227 15 0 "[ . 1 . 2 ]"
1 9 PRO 1.653 0.227 15 0 "[ . 1 . 2 ]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 VAL 1.478 0.085 3 0 "[ . 1 . 2 ]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 GLN 4.994 0.357 5 0 "[ . 1 . 2 ]"
1 19 ILE 116.179 2.816 14 23 "[***-** ******+**********]"
1 20 PRO 13.751 0.780 18 5 "[ .* - * *+ 2 ]"
1 21 ALA 0.145 0.145 11 0 "[ . 1 . 2 ]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 THR 17.735 1.318 17 9 "[ . ** - **** + * ]"
1 27 LEU 6.213 0.557 13 2 "[ . - 1 + . 2 ]"
1 28 VAL 16.594 1.318 17 10 "[ .*** - **** + * ]"
1 29 ARG 6.746 0.934 9 3 "[ . +1 . 2 *-]"
1 30 PRO 2.209 0.391 9 0 "[ . 1 . 2 ]"
1 38 LEU 3.267 0.668 1 2 "[+ . 1 . - 2 ]"
1 47 THR 4.178 0.934 9 3 "[ . +1 . 2 *-]"
1 48 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 49 THR 10.846 0.557 13 2 "[ . - 1 + . 2 ]"
1 50 MET 4.851 0.269 2 0 "[ . 1 . 2 ]"
1 51 LYS 1.116 0.436 13 0 "[ . 1 . 2 ]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 53 VAL 3.267 0.668 1 2 "[+ . 1 . - 2 ]"
1 55 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 62 MET 0.013 0.008 23 0 "[ . 1 . 2 ]"
1 64 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 ARG 0.013 0.008 23 0 "[ . 1 . 2 ]"
1 73 HIS 2.629 0.189 15 0 "[ . 1 . 2 ]"
1 74 ILE 0.963 0.269 6 0 "[ . 1 . 2 ]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 76 TYR 18.027 0.779 7 18 "[****-*+**1* ***** 2 ***]"
1 85 LEU 0.275 0.075 20 0 "[ . 1 . 2 ]"
1 86 PHE 0.229 0.051 14 0 "[ . 1 . 2 ]"
1 88 VAL 1.841 0.213 19 0 "[ . 1 . 2 ]"
1 89 PRO 1.011 0.213 19 0 "[ . 1 . 2 ]"
1 90 SER 18.158 0.779 7 18 "[****-*+**1* ***** 2 ***]"
1 91 PHE 0.203 0.082 22 0 "[ . 1 . 2 ]"
1 92 SER 0.734 0.269 6 0 "[ . 1 . 2 ]"
1 93 VAL 3.323 0.189 15 0 "[ . 1 . 2 ]"
1 94 LYS 0.515 0.227 11 0 "[ . 1 . 2 ]"
1 95 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 96 HIS 55.953 1.723 11 24 [****-*****+*************]
1 97 ARG 31.240 1.517 2 15 "[ +*-.* **** . ****** *]"
1 98 LYS 44.981 2.363 19 23 "[***** **********-*+*****]"
1 99 ILE 86.589 2.363 19 24 [***************-**+*****]
1 100 TYR 64.777 2.816 14 23 [*************+*-***2****]
1 101 THR 1.818 0.278 24 0 "[ . 1 . 2 ]"
1 102 MET 13.222 0.735 17 1 "[ . 1 . + 2 ]"
1 103 ILE 12.352 0.940 14 6 "[ -* . * 1** +. 2 ]"
1 104 TYR 0.734 0.278 24 0 "[ . 1 . 2 ]"
1 109 VAL 4.478 0.567 6 1 "[ .+ 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 ILE HA 1 20 PRO QD 2.800 . 3.100 2.129 1.708 3.481 0.381 10 0 "[ . 1 . 2 ]" 1
2 1 19 ILE MG 1 20 PRO QD 2.800 . 3.400 3.457 1.666 3.746 0.346 8 0 "[ . 1 . 2 ]" 1
3 1 19 ILE MD 1 20 PRO QD 3.800 2.600 4.600 3.546 1.820 5.182 0.780 18 4 "[ .* 1 * -+ 2 ]" 1
4 1 19 ILE MG 1 100 TYR QE 2.800 . 3.400 4.085 2.788 5.365 1.965 2 15 "[*+* * -*1 ***. **2****]" 1
5 1 19 ILE MD 1 100 TYR QE 3.500 2.300 4.300 4.240 2.181 7.116 2.816 14 9 "[ ** 1 * +*-** 2 * ]" 1
6 1 19 ILE MG 1 100 TYR QD 3.500 2.300 4.300 2.991 1.545 4.499 0.755 6 4 "[ .+ * .-* 2 ]" 1
7 1 19 ILE MD 1 100 TYR QD 3.300 2.100 3.900 3.262 2.016 6.008 2.108 14 3 "[ . 1 - +. * 2 ]" 1
8 1 19 ILE MD 1 96 HIS HA 4.200 3.000 4.800 4.852 3.651 6.523 1.723 11 8 "[ *** *-+ . * * ]" 1
9 1 19 ILE MD 1 96 HIS QB 3.000 . 3.600 3.174 1.709 5.307 1.707 9 7 "[ *- +** * * 2 ]" 1
10 1 19 ILE MG 1 96 HIS QB 3.600 2.400 4.200 2.351 1.761 3.167 0.639 14 3 "[ - . 1 +. * ]" 1
11 1 19 ILE MD 1 97 ARG HA 2.700 . 3.300 3.555 1.919 4.162 0.862 11 14 "[ ** .* *+*- . ****** *]" 1
12 1 19 ILE MD 1 97 ARG QG 4.000 2.800 4.600 4.676 2.401 6.117 1.517 2 10 "[ +*-. * * . **** *]" 1
13 1 19 ILE MD 1 100 TYR QB 4.300 3.100 4.900 3.369 1.772 5.042 1.328 8 6 "[* *. + * * - 2 ]" 1
14 1 26 THR MG 1 28 VAL HB 4.200 3.000 4.800 3.160 1.682 5.121 1.318 17 9 "[ . ** - **** + * ]" 1
15 1 28 VAL HA 1 29 ARG QB 4.200 3.000 4.800 4.414 4.309 4.550 . 0 0 "[ . 1 . 2 ]" 1
16 1 28 VAL HA 1 109 VAL HA 2.700 . 3.300 3.204 2.516 3.867 0.567 6 1 "[ .+ 1 . 2 ]" 1
17 1 28 VAL QG 1 109 VAL HA 3.200 . 3.800 3.494 1.998 4.008 0.208 6 0 "[ . 1 . 2 ]" 1
18 1 29 ARG QB 1 47 THR HA 3.200 . 3.800 3.599 1.991 4.734 0.934 9 3 "[ . +1 . 2 *-]" 1
19 1 29 ARG QB 1 47 THR MG 3.200 . 3.800 2.444 1.981 2.962 0.019 13 0 "[ . 1 . 2 ]" 1
20 1 97 ARG HA 1 100 TYR QB 3.000 . 3.600 3.782 2.749 3.958 0.358 16 0 "[ . 1 . 2 ]" 1
21 1 96 HIS HA 1 99 ILE HB 3.000 2.200 3.100 3.257 3.133 3.337 0.237 10 0 "[ . 1 . 2 ]" 1
22 1 99 ILE HB 1 102 MET ME 4.000 2.800 4.800 3.444 3.050 4.190 . 0 0 "[ . 1 . 2 ]" 1
23 1 96 HIS HD1 1 99 ILE HB 3.600 . 4.500 5.561 4.880 6.144 1.644 10 23 "[*********+*****- *******]" 1
24 1 98 LYS QB 1 99 ILE MD 3.000 . 3.600 5.417 2.437 5.963 2.363 19 23 "[***** **********-*+*****]" 1
25 1 99 ILE MG 1 102 MET ME 3.000 . 3.500 3.704 2.599 3.997 0.497 3 0 "[ . 1 . 2 ]" 1
26 1 99 ILE MD 1 102 MET ME 3.000 2.600 3.500 2.730 2.130 4.235 0.735 17 1 "[ . 1 . + 2 ]" 1
27 1 26 THR HA 1 28 VAL QG 3.400 . 4.300 4.326 3.736 4.576 0.276 19 0 "[ . 1 . 2 ]" 1
28 1 26 THR HA 1 26 THR MG . 2.600 3.100 2.605 2.198 3.190 0.402 19 0 "[ . 1 . 2 ]" 1
29 1 26 THR HA 1 26 THR HB 3.400 2.200 4.000 2.862 2.340 3.026 . 0 0 "[ . 1 . 2 ]" 1
30 1 28 VAL HA 1 28 VAL QG . 2.200 3.100 2.326 2.045 2.565 0.155 7 0 "[ . 1 . 2 ]" 1
31 1 26 THR MG 1 28 VAL HA 5.100 . 6.000 2.926 1.827 5.468 . 0 0 "[ . 1 . 2 ]" 1
32 1 26 THR HB 1 28 VAL QG 3.400 . 4.000 2.583 1.825 3.287 . 0 0 "[ . 1 . 2 ]" 1
33 1 26 THR HB 1 50 MET QG 3.400 . 4.000 2.627 1.496 3.572 . 0 0 "[ . 1 . 2 ]" 1
34 1 19 ILE MG 1 21 ALA HA 5.100 . 7.200 5.996 4.293 7.345 0.145 11 0 "[ . 1 . 2 ]" 1
35 1 21 ALA HA 1 22 SER HA 5.100 . 5.100 4.502 4.254 5.055 . 0 0 "[ . 1 . 2 ]" 1
36 1 19 ILE HA 1 19 ILE MD 3.400 . 4.000 3.694 2.046 4.162 0.162 2 0 "[ . 1 . 2 ]" 1
37 1 19 ILE HA 1 19 ILE MG 3.400 . 4.000 2.705 2.237 3.185 . 0 0 "[ . 1 . 2 ]" 1
38 1 19 ILE HA 1 19 ILE QG 3.400 . 4.000 3.029 2.305 3.484 . 0 0 "[ . 1 . 2 ]" 1
39 1 18 GLN H 1 19 ILE HA . . 4.200 4.408 4.274 4.557 0.357 5 0 "[ . 1 . 2 ]" 1
40 1 19 ILE HA 1 20 PRO HD2 3.400 . 4.000 2.813 2.161 3.995 . 0 0 "[ . 1 . 2 ]" 1
41 1 19 ILE HA 1 20 PRO HD3 3.400 . 3.800 2.366 1.719 4.095 0.295 7 0 "[ . 1 . 2 ]" 1
42 1 19 ILE MD 1 20 PRO HD3 5.100 . 7.200 4.372 1.858 6.157 . 0 0 "[ . 1 . 2 ]" 1
43 1 19 ILE MG 1 20 PRO HD3 3.400 2.200 4.000 3.937 1.676 4.237 0.524 10 1 "[ . + . 2 ]" 1
44 1 19 ILE MG 1 20 PRO HD2 3.400 2.200 4.000 3.890 2.931 4.200 0.200 6 0 "[ . 1 . 2 ]" 1
45 1 97 ARG HA 1 97 ARG QG 2.700 . 3.100 2.622 2.312 3.319 0.219 21 0 "[ . 1 . 2 ]" 1
46 1 97 ARG HA 1 100 TYR QD 4.200 2.200 5.400 5.335 4.138 5.736 0.336 14 0 "[ . 1 . 2 ]" 1
47 1 97 ARG HA 1 100 TYR HB2 3.400 2.200 4.000 3.866 2.784 4.043 0.043 16 0 "[ . 1 . 2 ]" 1
48 1 8 VAL HA 1 9 PRO HD3 2.700 . 3.100 2.276 1.795 2.954 0.205 14 0 "[ . 1 . 2 ]" 1
49 1 8 VAL HA 1 9 PRO HD2 2.700 2.200 3.100 2.300 1.973 2.684 0.227 15 0 "[ . 1 . 2 ]" 1
50 1 19 ILE MG 1 96 HIS HA 3.400 . 4.000 4.167 4.076 4.299 0.299 16 0 "[ . 1 . 2 ]" 1
51 1 96 HIS HA 1 96 HIS HD2 3.400 . 4.000 3.579 2.913 4.071 0.071 4 0 "[ . 1 . 2 ]" 1
52 1 88 VAL HA 1 89 PRO HD3 3.400 . 3.400 2.497 2.328 2.865 . 0 0 "[ . 1 . 2 ]" 1
53 1 88 VAL HA 1 89 PRO HD2 . . 3.400 2.195 1.878 2.413 . 0 0 "[ . 1 . 2 ]" 1
54 1 62 MET HA 1 65 ARG HA 5.100 . 6.100 5.100 3.692 6.108 0.008 23 0 "[ . 1 . 2 ]" 1
55 1 64 LYS HA 1 65 ARG HA 5.100 . 6.100 4.914 4.490 5.068 . 0 0 "[ . 1 . 2 ]" 1
56 1 91 PHE QE 1 93 VAL HA 3.400 2.200 4.000 3.547 2.756 4.082 0.082 22 0 "[ . 1 . 2 ]" 1
57 1 93 VAL HA 1 93 VAL HB 3.400 2.200 4.000 2.593 2.428 2.782 . 0 0 "[ . 1 . 2 ]" 1
58 1 75 VAL QG 1 93 VAL HA 4.200 2.200 5.200 4.534 4.043 5.144 . 0 0 "[ . 1 . 2 ]" 1
59 1 93 VAL HA 1 99 ILE MG 3.400 . 4.000 2.617 2.429 3.749 . 0 0 "[ . 1 . 2 ]" 1
60 1 93 VAL HA 1 99 ILE MD 3.400 . 3.600 3.331 1.581 3.722 0.122 20 0 "[ . 1 . 2 ]" 1
61 1 76 TYR HB3 1 90 SER HA 4.200 . 6.000 4.547 3.748 4.915 . 0 0 "[ . 1 . 2 ]" 1
62 1 76 TYR HB2 1 90 SER HA 5.100 . 7.200 5.184 4.592 5.456 . 0 0 "[ . 1 . 2 ]" 1
63 1 76 TYR HA 1 90 SER HA 3.400 . 3.800 2.315 1.692 2.595 . 0 0 "[ . 1 . 2 ]" 1
64 1 76 TYR HA 1 76 TYR HD1 3.400 . 4.000 2.533 2.063 4.097 0.097 19 0 "[ . 1 . 2 ]" 1
65 1 76 TYR QD 1 90 SER HA . . 3.000 3.181 3.098 3.326 0.326 13 0 "[ . 1 . 2 ]" 1
66 1 74 ILE MG 1 90 SER HA 3.400 . 4.000 3.799 3.237 4.065 0.065 12 0 "[ . 1 . 2 ]" 1
67 1 76 TYR HA 1 90 SER QB 3.400 . 3.800 2.737 2.361 3.196 . 0 0 "[ . 1 . 2 ]" 1
68 1 74 ILE MG 1 90 SER QB 3.400 . 4.000 2.080 1.773 3.002 . 0 0 "[ . 1 . 2 ]" 1
69 1 76 TYR QD 1 90 SER QB 3.400 2.200 4.000 1.667 1.421 2.553 0.779 7 18 "[****-*+**1* ***** 2 ***]" 1
70 1 91 PHE HA 1 91 PHE HB3 3.400 2.200 4.000 2.498 2.441 2.598 . 0 0 "[ . 1 . 2 ]" 1
71 1 91 PHE HA 1 91 PHE HB2 3.400 2.200 4.000 2.388 2.305 2.447 . 0 0 "[ . 1 . 2 ]" 1
72 1 91 PHE HA 1 91 PHE QD 3.400 . 4.000 3.728 3.653 3.749 . 0 0 "[ . 1 . 2 ]" 1
73 1 88 VAL QG 1 91 PHE HA 3.400 . 4.000 3.236 2.748 3.603 . 0 0 "[ . 1 . 2 ]" 1
74 1 74 ILE HA 1 92 SER HA 3.400 . 4.000 2.847 2.129 3.471 . 0 0 "[ . 1 . 2 ]" 1
75 1 74 ILE HB 1 92 SER HA 5.100 . 7.200 5.740 5.052 6.354 . 0 0 "[ . 1 . 2 ]" 1
76 1 92 SER HA 1 93 VAL QG 5.100 2.600 6.600 3.403 2.678 3.783 . 0 0 "[ . 1 . 2 ]" 1
77 1 74 ILE MD 1 92 SER HA 3.400 2.200 4.000 2.896 2.273 3.404 . 0 0 "[ . 1 . 2 ]" 1
78 1 74 ILE MG 1 92 SER HA 4.200 2.600 6.000 4.190 3.487 4.864 . 0 0 "[ . 1 . 2 ]" 1
79 1 74 ILE HA 1 74 ILE MG 3.400 . 4.000 2.280 2.236 2.338 . 0 0 "[ . 1 . 2 ]" 1
80 1 75 VAL QG 1 92 SER HA 4.200 . 6.000 3.486 3.037 3.880 . 0 0 "[ . 1 . 2 ]" 1
81 1 74 ILE MD 1 92 SER QB 3.400 2.200 4.000 2.882 1.931 3.887 0.269 6 0 "[ . 1 . 2 ]" 1
82 1 92 SER QB 1 95 GLU HG3 3.400 . 4.000 3.215 2.208 3.868 . 0 0 "[ . 1 . 2 ]" 1
83 1 92 SER QB 1 95 GLU HG2 . . 4.000 2.628 1.953 3.888 . 0 0 "[ . 1 . 2 ]" 1
84 1 73 HIS HD2 1 92 SER QB 5.100 . 7.200 5.426 3.605 6.859 . 0 0 "[ . 1 . 2 ]" 1
85 1 73 HIS HD2 1 92 SER HA 5.100 . 7.200 5.567 3.896 6.857 . 0 0 "[ . 1 . 2 ]" 1
86 1 91 PHE QD 1 93 VAL HA 4.200 . 6.000 3.441 2.739 4.027 . 0 0 "[ . 1 . 2 ]" 1
87 1 93 VAL HA 1 99 ILE QG 5.100 . 7.200 2.624 2.206 3.152 . 0 0 "[ . 1 . 2 ]" 1
88 1 73 HIS HA 1 73 HIS QB 3.400 2.200 4.000 2.262 2.170 2.463 0.030 9 0 "[ . 1 . 2 ]" 1
89 1 73 HIS HA 1 93 VAL HB 3.400 2.600 4.000 4.099 4.029 4.189 0.189 15 0 "[ . 1 . 2 ]" 1
90 1 93 VAL QG 1 94 LYS HA 3.400 . 4.000 3.475 2.897 4.064 0.064 17 0 "[ . 1 . 2 ]" 1
91 1 94 LYS HA 1 94 LYS QG 2.700 . 3.100 2.609 2.312 3.327 0.227 11 0 "[ . 1 . 2 ]" 1
92 1 94 LYS HA 1 95 GLU HA 5.100 . 7.200 4.654 4.513 4.858 . 0 0 "[ . 1 . 2 ]" 1
93 1 100 TYR HA 1 103 ILE MD 3.400 2.200 4.000 2.531 1.789 3.972 0.411 17 0 "[ . 1 . 2 ]" 1
94 1 99 ILE MD 1 100 TYR HA 3.400 . 4.000 3.744 3.156 4.873 0.873 6 2 "[ .+ 1 . - 2 ]" 1
95 1 100 TYR HA 1 103 ILE HB 3.400 2.600 4.000 2.289 1.660 2.734 0.940 14 6 "[ -* . * 1** +. 2 ]" 1
96 1 100 TYR HA 1 100 TYR HB3 . . 3.000 2.606 2.537 2.659 . 0 0 "[ . 1 . 2 ]" 1
97 1 100 TYR HA 1 103 ILE MG 3.400 . 4.000 3.705 3.278 4.090 0.090 6 0 "[ . 1 . 2 ]" 1
98 1 101 THR HA 1 104 TYR QB 3.400 . 4.000 3.492 3.178 4.278 0.278 24 0 "[ . 1 . 2 ]" 1
99 1 100 TYR HA 1 101 THR HA 5.100 . 7.200 4.753 4.569 4.840 . 0 0 "[ . 1 . 2 ]" 1
100 1 101 THR HA 1 101 THR MG . . 3.100 2.692 2.264 3.201 0.101 6 0 "[ . 1 . 2 ]" 1
101 1 101 THR HA 1 104 TYR QE 5.100 . 7.200 5.790 2.551 6.282 . 0 0 "[ . 1 . 2 ]" 1
102 1 101 THR HA 1 104 TYR QD 3.400 . 4.000 3.839 2.778 4.134 0.134 3 0 "[ . 1 . 2 ]" 1
103 1 101 THR HB 1 102 MET HG3 5.100 . 7.200 5.048 3.334 7.099 . 0 0 "[ . 1 . 2 ]" 1
104 1 98 LYS HA 1 101 THR HB 3.400 . 4.000 3.107 2.015 4.044 0.044 24 0 "[ . 1 . 2 ]" 1
105 1 98 LYS HA 1 101 THR MG 3.400 . 4.000 2.917 1.622 3.920 . 0 0 "[ . 1 . 2 ]" 1
106 1 101 THR HB 1 102 MET HG2 5.100 . 7.200 5.004 3.826 6.327 . 0 0 "[ . 1 . 2 ]" 1
107 1 102 MET HA 1 102 MET HG2 3.400 . 4.000 3.055 2.562 3.794 . 0 0 "[ . 1 . 2 ]" 1
108 1 102 MET HA 1 102 MET HG3 3.400 . 4.000 3.421 3.100 3.811 . 0 0 "[ . 1 . 2 ]" 1
109 1 103 ILE HA 1 103 ILE MG 2.700 2.200 3.100 2.505 2.405 2.608 . 0 0 "[ . 1 . 2 ]" 1
110 1 103 ILE HA 1 103 ILE HB 3.400 2.600 4.000 3.013 2.997 3.023 . 0 0 "[ . 1 . 2 ]" 1
111 1 102 MET HG3 1 103 ILE HA 4.200 . 6.000 5.339 3.688 6.257 0.257 15 0 "[ . 1 . 2 ]" 1
112 1 86 PHE QE 1 103 ILE HA 3.400 . 4.000 3.214 1.705 4.051 0.051 14 0 "[ . 1 . 2 ]" 1
113 1 104 TYR HA 1 104 TYR QD 3.400 2.200 4.000 2.963 2.726 3.710 . 0 0 "[ . 1 . 2 ]" 1
114 1 104 TYR HA 1 104 TYR QE 4.200 . 6.000 4.690 4.560 5.645 . 0 0 "[ . 1 . 2 ]" 1
115 1 103 ILE MG 1 104 TYR HA 3.400 2.200 4.000 3.283 2.893 3.604 . 0 0 "[ . 1 . 2 ]" 1
116 1 85 LEU HA 1 85 LEU QD 2.700 . 3.100 2.099 1.846 3.175 0.075 20 0 "[ . 1 . 2 ]" 1
117 1 85 LEU HA 1 85 LEU QB 2.700 2.200 3.100 2.348 2.130 2.420 0.070 20 0 "[ . 1 . 2 ]" 1
118 1 29 ARG QB 1 109 VAL HA 5.100 . 6.000 5.668 3.991 6.157 0.157 17 0 "[ . 1 . 2 ]" 1
119 1 109 VAL HA 1 109 VAL MG1 2.700 . 3.100 2.543 2.190 3.207 0.107 23 0 "[ . 1 . 2 ]" 1
120 1 29 ARG HA 1 48 TYR QD 5.100 . 5.100 4.226 3.357 4.919 . 0 0 "[ . 1 . 2 ]" 1
121 1 29 ARG HA 1 48 TYR QE 5.100 . 7.200 6.136 5.226 6.878 . 0 0 "[ . 1 . 2 ]" 1
122 1 29 ARG HA 1 47 THR HA 3.400 . 4.000 3.143 2.534 3.929 . 0 0 "[ . 1 . 2 ]" 1
123 1 29 ARG HA 1 30 PRO QD 3.400 2.200 3.600 2.132 1.809 2.346 0.391 9 0 "[ . 1 . 2 ]" 1
124 1 29 ARG HA 1 29 ARG HB3 3.400 2.200 4.000 2.369 2.311 2.436 . 0 0 "[ . 1 . 2 ]" 1
125 1 29 ARG HA 1 29 ARG HB2 3.400 2.200 4.000 2.962 2.594 3.025 . 0 0 "[ . 1 . 2 ]" 1
126 1 29 ARG HA 1 47 THR MG 3.400 . 4.000 3.365 1.934 4.133 0.133 19 0 "[ . 1 . 2 ]" 1
127 1 28 VAL QG 1 29 ARG HA 3.400 . 4.200 3.192 2.811 3.633 . 0 0 "[ . 1 . 2 ]" 1
128 1 26 THR HB 1 50 MET QB 3.400 . 3.800 3.766 2.796 3.999 0.199 15 0 "[ . 1 . 2 ]" 1
129 1 27 LEU HA 1 49 THR HA . . 3.100 2.935 2.245 3.162 0.062 6 0 "[ . 1 . 2 ]" 1
130 1 27 LEU QD 1 49 THR HA 3.400 . 4.000 3.234 2.031 3.619 . 0 0 "[ . 1 . 2 ]" 1
131 1 49 THR HA 1 49 THR MG 3.400 2.200 4.000 2.362 2.176 2.521 0.024 15 0 "[ . 1 . 2 ]" 1
132 1 27 LEU HB2 1 49 THR HA 4.200 2.200 5.400 5.576 4.456 5.957 0.557 13 2 "[ . - 1 + . 2 ]" 1
133 1 49 THR HA 1 50 MET QB 5.100 3.500 5.300 4.452 4.058 4.953 . 0 0 "[ . 1 . 2 ]" 1
134 1 27 LEU QD 1 49 THR HB 3.400 . 4.000 3.537 3.061 4.040 0.040 3 0 "[ . 1 . 2 ]" 1
135 1 49 THR HB 1 49 THR MG 2.700 . 3.100 2.130 2.105 2.135 . 0 0 "[ . 1 . 2 ]" 1
136 1 49 THR HB 1 51 LYS HB3 4.200 2.400 5.500 4.704 3.487 5.936 0.436 13 0 "[ . 1 . 2 ]" 1
137 1 49 THR HB 1 50 MET QB 3.400 . 4.000 4.141 3.903 4.269 0.269 2 0 "[ . 1 . 2 ]" 1
138 1 27 LEU HB2 1 49 THR HB 5.100 . 7.200 6.098 5.061 7.116 . 0 0 "[ . 1 . 2 ]" 1
139 1 38 LEU QD 1 53 VAL HA . 2.200 3.000 2.188 1.532 2.795 0.668 1 2 "[+ . 1 . - 2 ]" 1
140 1 53 VAL HA 1 53 VAL QG 2.700 . 3.100 2.200 2.117 2.400 . 0 0 "[ . 1 . 2 ]" 1
141 1 53 VAL HA 1 53 VAL HB 3.400 2.200 4.000 2.813 2.365 3.024 . 0 0 "[ . 1 . 2 ]" 1
142 1 53 VAL HA 1 56 TYR QB 4.200 . 4.600 2.369 1.873 2.798 . 0 0 "[ . 1 . 2 ]" 1
143 1 53 VAL HA 1 56 TYR QD 4.200 . 4.800 3.858 3.312 4.433 . 0 0 "[ . 1 . 2 ]" 1
144 1 52 GLU HA 1 53 VAL H . 2.300 4.800 3.561 3.522 3.577 . 0 0 "[ . 1 . 2 ]" 1
145 1 52 GLU HA 1 55 PHE QD 4.200 . 6.000 3.608 2.392 4.261 . 0 0 "[ . 1 . 2 ]" 1
146 1 55 PHE HA 1 55 PHE QD 3.400 . 4.000 3.711 3.511 3.733 . 0 0 "[ . 1 . 2 ]" 1
147 1 75 VAL QG 1 76 TYR HA 5.100 . 7.200 4.086 3.518 4.403 . 0 0 "[ . 1 . 2 ]" 1
148 1 88 VAL HA 1 88 VAL QG 3.400 2.200 4.000 2.253 2.052 2.425 0.148 18 0 "[ . 1 . 2 ]" 1
149 1 88 VAL QG 1 90 SER HA 5.100 . 5.200 3.291 2.565 4.177 . 0 0 "[ . 1 . 2 ]" 1
150 1 88 VAL QG 1 89 PRO HA 3.400 . 4.000 3.968 3.473 4.213 0.213 19 0 "[ . 1 . 2 ]" 1
151 1 14 VAL HA 1 14 VAL QG 2.700 2.200 3.100 2.172 2.115 2.581 0.085 3 0 "[ . 1 . 2 ]" 1
152 1 14 VAL QG 1 15 THR HB 3.400 . 4.000 3.532 2.682 3.925 . 0 0 "[ . 1 . 2 ]" 1
153 1 13 ALA HA 1 14 VAL QG 5.100 . 7.200 3.518 3.002 4.433 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 966
_Distance_constraint_stats_list.Viol_count 4626
_Distance_constraint_stats_list.Viol_total 23398.740
_Distance_constraint_stats_list.Viol_max 1.284
_Distance_constraint_stats_list.Viol_rms 0.1303
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0421
_Distance_constraint_stats_list.Viol_average_violations_only 0.2108
_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 8 VAL 3.614 0.905 3 2 "[ -+ . 1 . 2 ]"
1 9 PRO 3.614 0.905 3 2 "[ -+ . 1 . 2 ]"
1 10 THR 0.009 0.009 19 0 "[ . 1 . 2 ]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 ALA 0.570 0.276 5 0 "[ . 1 . 2 ]"
1 14 VAL 12.459 0.914 20 8 "[ * ** *- . + ** ]"
1 15 THR 9.174 0.914 20 6 "[ * .* - . + ** ]"
1 16 THR 0.165 0.165 24 0 "[ . 1 . 2 ]"
1 18 GLN 15.387 0.796 13 6 "[ * **- *1 + . 2 ]"
1 19 ILE 32.778 0.796 13 24 [************+**********-]
1 20 PRO 2.288 0.537 7 1 "[ . + 1 . 2 ]"
1 21 ALA 6.952 0.537 7 1 "[ . + 1 . 2 ]"
1 22 SER 6.105 0.481 7 0 "[ . 1 . 2 ]"
1 23 GLU 2.251 0.619 8 2 "[ . + 1- . 2 ]"
1 24 GLN 16.977 0.758 16 24 [***************+*******-]
1 25 GLU 5.970 0.348 12 0 "[ . 1 . 2 ]"
1 26 THR 19.207 1.153 11 8 "[ *** 1+ .* **2* ]"
1 27 LEU 40.584 1.149 14 19 "[*** *****-* +**** ** **]"
1 28 VAL 38.462 1.173 24 23 "[******** **********-***+]"
1 29 ARG 9.249 0.930 9 3 "[ . - +1 .* 2 ]"
1 30 PRO 23.820 1.173 24 23 "[******** *-************+]"
1 32 PRO 2.355 0.673 10 3 "[ . +- . 2 *]"
1 33 LEU 15.372 0.896 3 3 "[ + * 1 . 2 - ]"
1 34 LEU 18.319 0.915 7 11 "[ ***.*+ 1 - * * 2* **]"
1 35 LEU 87.904 1.284 9 24 [********+**-************]
1 36 LYS 10.437 0.980 6 7 "[ * .+ * 1 * . - 2* *]"
1 37 LEU 51.089 0.792 24 12 "[****. *** .*- *2 * +]"
1 38 LEU 65.178 1.207 17 21 "[****-******* ***+ **** *]"
1 39 LYS 19.609 0.980 6 7 "[ * .+ * 1 * . - 2* *]"
1 40 SER 0.219 0.168 11 0 "[ . 1 . 2 ]"
1 41 VAL 51.017 1.009 12 23 "[***********+****** **-**]"
1 42 GLY 12.846 0.933 20 11 "[ **. * *** *. *+*- ]"
1 43 ALA 22.704 0.743 6 8 "[ .+* ** *. *2* - ]"
1 44 GLN 1.084 0.278 2 0 "[ . 1 . 2 ]"
1 45 LYS 10.845 1.051 11 2 "[ . 1+ . 2 - ]"
1 46 ASP 0.095 0.015 17 0 "[ . 1 . 2 ]"
1 47 THR 17.689 0.930 9 5 "[ * . * +1 . - * ]"
1 48 TYR 72.133 1.284 9 21 "[******* +** ****-******]"
1 49 THR 85.179 1.149 14 24 [**********-**+**********]
1 50 MET 25.887 1.153 11 21 "[**********+** .* *****-*]"
1 51 LYS 3.124 0.234 10 0 "[ . 1 . 2 ]"
1 52 GLU 25.093 0.622 18 12 "[* * .** *-* *. *+ 2* *]"
1 53 VAL 6.823 0.719 5 3 "[ + 1 . - * ]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 PHE 2.478 0.099 19 0 "[ . 1 . 2 ]"
1 56 TYR 35.687 1.207 17 16 "[ ***-*** 1 * ***+ **** ]"
1 57 LEU 14.006 0.632 17 1 "[ . 1 . + 2 ]"
1 58 GLY 0.416 0.071 16 0 "[ . 1 . 2 ]"
1 59 GLN 33.851 1.009 12 22 "[*-*********+ ***** *****]"
1 60 TYR 27.771 1.240 10 12 "[ * -** **+ * *.* * * ]"
1 61 ILE 40.302 0.613 21 5 "[ . *1 - . 2+ **]"
1 62 MET 13.837 0.621 18 6 "[ . *1*- . + 2* * ]"
1 63 THR 10.939 0.841 24 5 "[ *. 1-* . * 2 +]"
1 64 LYS 16.699 1.240 10 5 "[ ** -+ *. 2 ]"
1 65 ARG 3.983 0.426 14 0 "[ . 1 . 2 ]"
1 66 LEU 14.505 0.703 9 4 "[ . * +1 *. 2 * ]"
1 67 TYR 17.267 0.711 4 4 "[ +. 1 . 2** -]"
1 68 ASP 13.248 0.806 20 9 "[ **.* * * .* -*+ ]"
1 69 GLU 2.774 0.231 12 0 "[ . 1 . 2 ]"
1 70 LYS 1.527 0.225 7 0 "[ . 1 . 2 ]"
1 71 GLN 1.399 0.188 14 0 "[ . 1 . 2 ]"
1 72 GLN 7.717 0.336 12 0 "[ . 1 . 2 ]"
1 73 HIS 15.490 0.592 4 4 "[ +. 1 -*. 2 * ]"
1 74 ILE 41.302 0.806 20 11 "[ **.* * ** .*-**+ ]"
1 75 VAL 14.997 0.604 16 3 "[- .* 1 .+ 2 ]"
1 76 TYR 21.705 0.597 12 2 "[ . 1 + . - 2 ]"
1 77 CYS 2.182 0.686 9 2 "[ .- +1 . 2 ]"
1 78 SER 7.127 0.649 4 10 "[ -*+* *1****.* 2 ]"
1 79 ASN 1.296 0.223 15 0 "[ . 1 . 2 ]"
1 80 ASP 3.783 0.198 9 0 "[ . 1 . 2 ]"
1 82 LEU 55.922 1.059 21 22 "[**************.*-***+* *]"
1 83 GLY 0.634 0.182 18 0 "[ . 1 . 2 ]"
1 84 ASP 8.536 0.396 8 0 "[ . 1 . 2 ]"
1 85 LEU 46.110 1.059 21 20 "[***** *******.*-***+* *]"
1 86 PHE 25.256 0.703 8 6 "[ *** + 1 .- 2* ]"
1 87 GLY 0.010 0.010 18 0 "[ . 1 . 2 ]"
1 88 VAL 34.192 0.795 6 19 "[* **+** *** -.*********]"
1 89 PRO 1.362 0.759 6 1 "[ .+ 1 . 2 ]"
1 90 SER 4.600 0.795 6 4 "[ .+* 1 . -* 2 ]"
1 91 PHE 66.342 0.913 20 21 "[*********** **** -*+* **]"
1 92 SER 16.894 1.083 22 15 "[***** **1* *.****2 +- ]"
1 93 VAL 34.506 0.990 20 13 "[ ***.* 1 -*** *+* **]"
1 94 LYS 9.616 0.990 20 7 "[ * . * 1 . * +** -]"
1 95 GLU 15.151 1.083 22 15 "[***** **1* *.****2 +- ]"
1 96 HIS 0.898 0.132 7 0 "[ . 1 . 2 ]"
1 97 ARG 0.061 0.039 10 0 "[ . 1 . 2 ]"
1 98 LYS 3.950 0.379 22 0 "[ . 1 . 2 ]"
1 99 ILE 41.300 0.913 20 17 "[*** *** *** **.**-*+* ]"
1 100 TYR 20.955 0.860 5 12 "[ * + ** ** ** *** - ]"
1 101 THR 0.549 0.097 6 0 "[ . 1 . 2 ]"
1 102 MET 16.347 0.603 4 5 "[ * +. * 1 .- 2* ]"
1 103 ILE 29.737 0.860 5 15 "[ * +* *** ** ** *** *-]"
1 104 TYR 3.290 0.366 22 0 "[ . 1 . 2 ]"
1 107 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 108 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 109 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 110 VAL 10.916 0.968 15 11 "[ -* ****** * + * ]"
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 91 PHE QD 1 93 VAL QG 4.200 2.200 5.400 3.441 2.583 4.333 . 0 0 "[ . 1 . 2 ]" 2
2 1 61 ILE MD 1 91 PHE QD 3.400 . 4.000 2.465 1.745 3.315 . 0 0 "[ . 1 . 2 ]" 2
3 1 100 TYR HA 1 100 TYR QD 4.200 . 6.000 1.916 1.820 2.047 . 0 0 "[ . 1 . 2 ]" 2
4 1 100 TYR HA 1 101 THR H 4.200 . 6.000 2.780 2.465 3.057 . 0 0 "[ . 1 . 2 ]" 2
5 1 52 GLU HA 1 55 PHE QD 4.200 . 6.000 3.189 2.364 3.504 . 0 0 "[ . 1 . 2 ]" 2
6 1 75 VAL QG 1 91 PHE QE 3.400 2.200 4.000 2.291 1.976 2.490 0.224 6 0 "[ . 1 . 2 ]" 2
7 1 61 ILE MD 1 91 PHE QE 3.400 . 4.000 2.032 1.817 2.560 . 0 0 "[ . 1 . 2 ]" 2
8 1 61 ILE MG 1 91 PHE QD 3.400 . 4.000 4.070 3.988 4.167 0.167 6 0 "[ . 1 . 2 ]" 2
9 1 85 LEU QD 1 103 ILE MD 2.700 . 3.000 2.279 1.638 3.023 0.023 10 0 "[ . 1 . 2 ]" 2
10 1 57 LEU MD1 1 86 PHE QE 3.400 . 4.000 3.579 1.544 4.095 0.095 20 0 "[ . 1 . 2 ]" 2
11 1 103 ILE MD 1 104 TYR QD 4.200 . 6.000 3.056 2.659 3.690 . 0 0 "[ . 1 . 2 ]" 2
12 1 18 GLN H 1 25 GLU QG 3.400 . 4.300 4.357 4.313 4.451 0.151 6 0 "[ . 1 . 2 ]" 2
13 1 27 LEU QD 1 49 THR MG . . 3.100 1.776 1.437 2.554 0.563 8 1 "[ . + 1 . 2 ]" 2
14 1 27 LEU QD 1 47 THR MG 2.700 2.200 3.100 3.191 2.370 3.379 0.279 2 0 "[ . 1 . 2 ]" 2
15 1 28 VAL QG 1 48 TYR QB 3.400 . 4.000 2.130 1.926 2.500 . 0 0 "[ . 1 . 2 ]" 2
16 1 37 LEU QB 1 85 LEU QD 3.400 . 4.400 3.117 2.326 4.621 0.221 20 0 "[ . 1 . 2 ]" 2
17 1 38 LEU QD 1 53 VAL QG 2.700 . 3.100 1.814 1.459 2.331 . 0 0 "[ . 1 . 2 ]" 2
18 1 35 LEU QD 1 38 LEU QD 3.400 . 4.000 2.509 2.175 2.869 . 0 0 "[ . 1 . 2 ]" 2
19 1 30 PRO QB 1 38 LEU QD 3.400 . 4.000 2.966 1.695 3.664 . 0 0 "[ . 1 . 2 ]" 2
20 1 37 LEU QD 1 60 TYR QR 3.400 . 4.000 2.237 1.784 2.517 . 0 0 "[ . 1 . 2 ]" 2
21 1 37 LEU QD 1 57 LEU QD 2.700 . 3.100 1.788 1.526 2.222 . 0 0 "[ . 1 . 2 ]" 2
22 1 60 TYR QR 1 82 LEU QB 4.200 . 6.000 3.077 2.128 4.797 . 0 0 "[ . 1 . 2 ]" 2
23 1 37 LEU QD 1 38 LEU HA 3.400 . 4.000 2.289 1.840 3.070 . 0 0 "[ . 1 . 2 ]" 2
24 1 37 LEU QD 1 41 VAL QG 4.200 . 6.000 2.521 2.166 3.147 . 0 0 "[ . 1 . 2 ]" 2
25 1 37 LEU QD 1 85 LEU QD 3.400 . 4.000 1.725 1.344 2.362 . 0 0 "[ . 1 . 2 ]" 2
26 1 34 LEU HG 1 38 LEU QD 3.400 . 4.000 2.896 1.695 3.441 . 0 0 "[ . 1 . 2 ]" 2
27 1 38 LEU QD 1 56 TYR HA 3.400 . 4.000 2.214 1.813 2.655 . 0 0 "[ . 1 . 2 ]" 2
28 1 34 LEU H 1 38 LEU QD 5.100 . 7.200 4.090 3.312 4.428 . 0 0 "[ . 1 . 2 ]" 2
29 1 38 LEU QD 1 39 LYS H 4.200 . 6.000 2.661 2.365 3.120 . 0 0 "[ . 1 . 2 ]" 2
30 1 38 LEU QB 1 43 ALA MB 3.400 . 4.000 2.307 1.748 3.023 . 0 0 "[ . 1 . 2 ]" 2
31 1 19 ILE H 1 21 ALA MB 5.100 . 7.200 4.730 2.033 5.892 . 0 0 "[ . 1 . 2 ]" 2
32 1 18 GLN HA 1 19 ILE MG 3.400 . 4.000 2.636 2.233 3.148 . 0 0 "[ . 1 . 2 ]" 2
33 1 19 ILE HA 1 20 PRO HG3 4.200 . 6.000 3.345 2.924 3.977 . 0 0 "[ . 1 . 2 ]" 2
34 1 74 ILE MD 1 91 PHE QR 5.100 . 7.200 5.632 5.112 6.118 . 0 0 "[ . 1 . 2 ]" 2
35 1 34 LEU HA 1 85 LEU QD 3.400 . 4.000 1.982 1.751 3.066 . 0 0 "[ . 1 . 2 ]" 2
36 1 75 VAL QG 1 93 VAL QG . . 3.100 2.673 1.897 3.085 . 0 0 "[ . 1 . 2 ]" 2
37 1 93 VAL QG 1 99 ILE MD 4.200 . 6.000 2.762 2.215 3.281 . 0 0 "[ . 1 . 2 ]" 2
38 1 73 HIS QB 1 93 VAL QG 3.400 2.200 4.000 2.867 2.425 3.297 . 0 0 "[ . 1 . 2 ]" 2
39 1 75 VAL HB 1 93 VAL QG 5.100 . 7.200 4.537 3.435 5.421 . 0 0 "[ . 1 . 2 ]" 2
40 1 68 ASP H 1 74 ILE MG 5.100 . 7.200 4.466 3.808 4.965 . 0 0 "[ . 1 . 2 ]" 2
41 1 61 ILE MD 1 75 VAL QG 2.700 . 3.100 2.915 2.190 3.160 0.060 2 0 "[ . 1 . 2 ]" 2
42 1 60 TYR QR 1 64 LYS HD3 4.200 . 6.000 4.360 3.455 5.414 . 0 0 "[ . 1 . 2 ]" 2
43 1 60 TYR QR 1 64 LYS HD2 4.200 . 6.000 4.168 2.431 5.069 . 0 0 "[ . 1 . 2 ]" 2
44 1 93 VAL HB 1 93 VAL QG 2.700 . 3.100 1.894 1.891 1.896 0.109 17 0 "[ . 1 . 2 ]" 2
45 1 66 LEU HB2 1 75 VAL QG . 2.200 4.000 2.839 2.180 3.960 0.020 6 0 "[ . 1 . 2 ]" 2
46 1 64 LYS HB3 1 65 ARG H 5.100 . 7.200 4.019 2.542 4.333 . 0 0 "[ . 1 . 2 ]" 2
47 1 64 LYS HB3 1 66 LEU QD 3.400 . 4.000 2.799 2.309 3.823 . 0 0 "[ . 1 . 2 ]" 2
48 1 64 LYS HB2 1 66 LEU QD 3.400 . 4.000 2.514 1.918 3.851 . 0 0 "[ . 1 . 2 ]" 2
49 1 64 LYS HB2 1 65 ARG H 5.100 . 7.200 3.495 1.618 4.276 . 0 0 "[ . 1 . 2 ]" 2
50 1 66 LEU QD 1 80 ASP QB 4.200 . 6.000 2.142 1.773 3.057 . 0 0 "[ . 1 . 2 ]" 2
51 1 34 LEU H 1 34 LEU MD1 4.200 . 6.000 3.534 2.022 4.072 . 0 0 "[ . 1 . 2 ]" 2
52 1 33 LEU QB 1 33 LEU QD 2.700 . 3.100 1.953 1.872 2.058 . 0 0 "[ . 1 . 2 ]" 2
53 1 33 LEU QB 1 85 LEU QD 3.400 . 4.000 3.071 1.642 4.005 0.005 3 0 "[ . 1 . 2 ]" 2
54 1 35 LEU HB3 1 35 LEU QD . . 3.100 2.207 2.015 2.438 . 0 0 "[ . 1 . 2 ]" 2
55 1 33 LEU MD1 1 85 LEU QD 3.400 . 4.000 3.166 1.484 4.896 0.896 3 3 "[ + * 1 . 2 - ]" 2
56 1 37 LEU QD 1 56 TYR QB 4.200 . 6.000 1.839 1.392 2.455 . 0 0 "[ . 1 . 2 ]" 2
57 1 28 VAL QG 1 104 TYR QR 5.000 . 5.000 1.901 1.356 3.888 . 0 0 "[ . 1 . 2 ]" 2
58 1 28 VAL QG 1 48 TYR H 5.000 . 5.000 3.386 2.204 3.873 . 0 0 "[ . 1 . 2 ]" 2
59 1 100 TYR HA 1 100 TYR QE 2.700 . 3.900 4.118 4.096 4.173 0.273 6 0 "[ . 1 . 2 ]" 2
60 1 100 TYR H 1 100 TYR HA 4.200 2.200 5.400 2.895 2.809 2.927 . 0 0 "[ . 1 . 2 ]" 2
61 1 100 TYR HB3 1 103 ILE MD 5.100 2.600 6.600 4.258 3.193 5.714 . 0 0 "[ . 1 . 2 ]" 2
62 1 100 TYR H 1 100 TYR QD 2.700 . 3.000 2.972 2.527 3.050 0.050 7 0 "[ . 1 . 2 ]" 2
63 1 100 TYR QD 1 102 MET ME 3.600 . 4.800 4.992 4.872 5.101 0.301 15 0 "[ . 1 . 2 ]" 2
64 1 100 TYR QD 1 103 ILE MD 5.100 2.600 6.600 2.354 1.740 3.900 0.860 5 12 "[ * + ** ** ** *** - ]" 2
65 1 100 TYR QE 1 103 ILE MD 4.200 2.200 5.400 2.888 2.195 4.143 0.005 3 0 "[ . 1 . 2 ]" 2
66 1 101 THR HB 1 101 THR MG 2.700 . 3.100 2.134 2.132 2.136 . 0 0 "[ . 1 . 2 ]" 2
67 1 101 THR H 1 101 THR MG 3.400 2.200 4.000 2.965 2.103 3.799 0.097 6 0 "[ . 1 . 2 ]" 2
68 1 101 THR MG 1 102 MET H 4.200 2.200 5.400 3.239 2.189 4.237 0.011 17 0 "[ . 1 . 2 ]" 2
69 1 102 MET ME 1 102 MET HG3 5.100 2.600 6.600 2.495 2.401 2.635 0.199 8 0 "[ . 1 . 2 ]" 2
70 1 102 MET ME 1 103 ILE H 5.100 2.600 6.000 4.060 3.679 4.847 . 0 0 "[ . 1 . 2 ]" 2
71 1 103 ILE HA 1 103 ILE MD 3.400 2.200 4.000 3.464 1.874 3.830 0.326 14 0 "[ . 1 . 2 ]" 2
72 1 103 ILE HA 1 103 ILE QG 4.200 2.200 5.400 2.386 2.248 2.799 . 0 0 "[ . 1 . 2 ]" 2
73 1 103 ILE H 1 103 ILE HA 4.200 2.200 5.400 2.785 2.733 2.894 . 0 0 "[ . 1 . 2 ]" 2
74 1 103 ILE HB 1 104 TYR QD 2.700 2.600 3.000 2.820 2.234 3.060 0.366 22 0 "[ . 1 . 2 ]" 2
75 1 103 ILE HB 1 103 ILE MD 3.400 2.200 4.000 2.576 2.392 3.234 . 0 0 "[ . 1 . 2 ]" 2
76 1 103 ILE H 1 103 ILE HB 3.400 2.200 4.000 2.458 2.341 2.605 . 0 0 "[ . 1 . 2 ]" 2
77 1 103 ILE HB 1 104 TYR H 4.200 2.200 5.400 2.628 2.321 2.832 . 0 0 "[ . 1 . 2 ]" 2
78 1 103 ILE MD 1 104 TYR HA 5.100 2.600 6.600 5.933 5.373 6.185 . 0 0 "[ . 1 . 2 ]" 2
79 1 103 ILE MD 1 104 TYR H 5.100 2.600 6.600 4.659 4.416 4.838 . 0 0 "[ . 1 . 2 ]" 2
80 1 103 ILE MD 1 103 ILE QG 2.700 . 3.100 1.887 1.886 1.888 0.114 13 0 "[ . 1 . 2 ]" 2
81 1 103 ILE H 1 103 ILE QG 5.100 2.600 6.600 2.299 2.012 2.486 0.588 16 3 "[ . * .+ 2 -]" 2
82 1 86 PHE QE 1 103 ILE QG 5.100 2.600 6.600 2.465 1.897 3.094 0.703 8 3 "[ -* + 1 . 2 ]" 2
83 1 103 ILE MD 1 103 ILE MG 2.700 . 3.100 1.930 1.884 1.983 0.116 24 0 "[ . 1 . 2 ]" 2
84 1 103 ILE H 1 103 ILE MG 4.200 2.200 5.400 3.755 3.714 3.783 . 0 0 "[ . 1 . 2 ]" 2
85 1 103 ILE MG 1 104 TYR QD 3.400 2.200 4.000 3.132 2.689 3.900 . 0 0 "[ . 1 . 2 ]" 2
86 1 103 ILE H 1 103 ILE MD 4.200 2.200 5.400 3.660 3.414 3.796 . 0 0 "[ . 1 . 2 ]" 2
87 1 104 TYR QB 1 104 TYR QD 3.400 2.200 4.000 2.135 2.131 2.137 0.069 24 0 "[ . 1 . 2 ]" 2
88 1 110 VAL HA 1 110 VAL MG1 2.700 . 3.100 2.829 2.361 3.196 0.096 22 0 "[ . 1 . 2 ]" 2
89 1 110 VAL H 1 110 VAL MG1 2.700 . 3.100 2.896 1.910 4.068 0.968 15 11 "[ -* ****** * + * ]" 2
90 1 8 VAL HA 1 9 PRO QD 2.700 . 3.500 1.979 1.770 2.215 . 0 0 "[ . 1 . 2 ]" 2
91 1 8 VAL MG1 1 9 PRO QD 4.000 . 5.000 3.289 2.087 4.165 . 0 0 "[ . 1 . 2 ]" 2
92 1 8 VAL MG2 1 9 PRO QD 4.000 . 5.000 3.462 2.072 4.102 . 0 0 "[ . 1 . 2 ]" 2
93 1 12 GLY QA 1 13 ALA MB 5.100 2.600 6.600 3.784 3.521 4.199 . 0 0 "[ . 1 . 2 ]" 2
94 1 12 GLY H 1 13 ALA MB 5.100 2.600 6.600 4.550 3.468 5.542 . 0 0 "[ . 1 . 2 ]" 2
95 1 13 ALA HA 1 13 ALA MB 2.700 . 3.100 2.128 2.126 2.130 . 0 0 "[ . 1 . 2 ]" 2
96 1 13 ALA H 1 13 ALA MB 3.400 2.200 4.000 2.573 2.238 2.913 . 0 0 "[ . 1 . 2 ]" 2
97 1 14 VAL HB 1 14 VAL QG 2.700 . 3.100 1.895 1.887 1.897 0.113 23 0 "[ . 1 . 2 ]" 2
98 1 14 VAL H 1 14 VAL QG . 2.200 3.000 2.263 1.640 2.794 0.560 5 2 "[ + 1- . 2 ]" 2
99 1 14 VAL QG 1 15 THR H 4.200 2.200 5.400 2.499 1.286 3.311 0.914 20 6 "[ * .* - . + ** ]" 2
100 1 15 THR HA 1 15 THR MG 2.700 . 3.100 2.571 2.275 3.207 0.107 23 0 "[ . 1 . 2 ]" 2
101 1 15 THR H 1 15 THR MG 4.200 2.200 5.400 3.439 1.860 4.019 0.340 8 0 "[ . 1 . 2 ]" 2
102 1 18 GLN QB 1 19 ILE HA 2.700 . 3.500 3.685 3.516 4.081 0.581 4 1 "[ +. 1 . 2 ]" 2
103 1 18 GLN HE21 1 19 ILE MG 5.100 2.600 6.600 5.317 3.697 6.808 0.208 6 0 "[ . 1 . 2 ]" 2
104 1 18 GLN HE22 1 19 ILE MG 5.100 2.600 6.600 5.987 4.242 7.217 0.617 9 3 "[ *- +1 . 2 ]" 2
105 1 18 GLN QG 1 19 ILE HA 2.700 . 3.000 3.161 3.054 3.325 0.325 4 0 "[ . 1 . 2 ]" 2
106 1 18 GLN H 1 18 GLN QB 3.400 2.200 4.000 2.964 2.618 3.376 . 0 0 "[ . 1 . 2 ]" 2
107 1 19 ILE HA 1 19 ILE HB 4.200 2.200 5.400 2.416 2.252 2.574 . 0 0 "[ . 1 . 2 ]" 2
108 1 18 GLN QG 1 19 ILE MD 5.100 2.600 6.600 5.205 3.576 6.059 . 0 0 "[ . 1 . 2 ]" 2
109 1 19 ILE QG 1 19 ILE MG 3.400 2.200 4.000 2.290 2.041 2.466 0.159 16 0 "[ . 1 . 2 ]" 2
110 1 19 ILE MD 1 19 ILE HG13 3.400 2.200 4.000 2.118 2.113 2.120 0.087 11 0 "[ . 1 . 2 ]" 2
111 1 18 GLN QB 1 19 ILE MG 3.400 2.200 4.000 2.836 2.424 3.684 . 0 0 "[ . 1 . 2 ]" 2
112 1 18 GLN QG 1 19 ILE MG 3.400 2.200 4.000 3.402 1.404 4.200 0.796 13 2 "[ - . 1 + . 2 ]" 2
113 1 19 ILE MG 1 24 GLN H 4.200 2.200 5.400 6.079 5.928 6.158 0.758 16 24 [***************+*******-] 2
114 1 19 ILE H 1 19 ILE HA 2.700 . 3.000 2.851 2.745 2.921 . 0 0 "[ . 1 . 2 ]" 2
115 1 20 PRO QB 1 21 ALA MB 5.100 2.600 6.600 4.192 3.319 4.937 . 0 0 "[ . 1 . 2 ]" 2
116 1 20 PRO HB3 1 21 ALA MB 4.200 2.200 5.400 5.184 4.260 5.937 0.537 7 1 "[ . + 1 . 2 ]" 2
117 1 20 PRO HB2 1 21 ALA MB 4.200 2.200 5.400 4.470 3.389 5.340 . 0 0 "[ . 1 . 2 ]" 2
118 1 21 ALA HA 1 21 ALA MB 2.700 . 3.100 2.128 2.124 2.131 . 0 0 "[ . 1 . 2 ]" 2
119 1 20 PRO HA 1 21 ALA MB 4.200 2.200 5.400 4.142 3.838 4.706 . 0 0 "[ . 1 . 2 ]" 2
120 1 21 ALA MB 1 22 SER HA 4.200 2.200 5.400 4.213 3.696 5.036 . 0 0 "[ . 1 . 2 ]" 2
121 1 21 ALA MB 1 22 SER H . 2.200 3.300 2.547 1.719 3.650 0.481 7 0 "[ . 1 . 2 ]" 2
122 1 25 GLU H 1 25 GLU HB3 5.100 2.600 6.600 3.041 2.449 3.638 0.151 9 0 "[ . 1 . 2 ]" 2
123 1 25 GLU HB3 1 26 THR MG 5.100 2.600 6.600 5.380 3.491 6.557 . 0 0 "[ . 1 . 2 ]" 2
124 1 25 GLU H 1 25 GLU HB2 4.200 2.200 5.400 3.361 2.492 4.044 . 0 0 "[ . 1 . 2 ]" 2
125 1 25 GLU QG 1 28 VAL QG 3.400 . 4.300 4.342 4.026 4.533 0.233 12 0 "[ . 1 . 2 ]" 2
126 1 25 GLU QG 1 49 THR MG 3.400 . 4.300 3.901 2.861 4.585 0.285 20 0 "[ . 1 . 2 ]" 2
127 1 26 THR H 1 26 THR HA 4.200 2.200 5.400 2.653 2.273 2.945 . 0 0 "[ . 1 . 2 ]" 2
128 1 26 THR HA 1 27 LEU QB 4.200 2.200 5.400 4.280 4.031 4.818 . 0 0 "[ . 1 . 2 ]" 2
129 1 26 THR HA 1 27 LEU QD 4.200 2.200 5.400 4.677 3.452 5.417 0.017 23 0 "[ . 1 . 2 ]" 2
130 1 26 THR HA 1 27 LEU H 2.700 . 3.400 2.453 2.153 3.547 0.147 16 0 "[ . 1 . 2 ]" 2
131 1 26 THR HB 1 26 THR MG 2.700 . 3.100 2.133 2.126 2.139 . 0 0 "[ . 1 . 2 ]" 2
132 1 26 THR HB 1 27 LEU QD 4.200 2.200 5.400 5.243 4.411 5.660 0.260 19 0 "[ . 1 . 2 ]" 2
133 1 26 THR MG 1 27 LEU H . 2.200 3.000 2.722 1.344 3.204 0.856 16 1 "[ . 1 .+ 2 ]" 2
134 1 26 THR MG 1 28 VAL QG 3.400 2.200 4.000 2.220 1.497 3.496 0.703 6 6 "[ *+* 1- . * 2* ]" 2
135 1 26 THR MG 1 29 ARG H 5.100 2.600 6.600 4.602 3.227 7.175 0.575 16 1 "[ . 1 .+ 2 ]" 2
136 1 26 THR MG 1 48 TYR H 5.100 2.600 6.600 5.953 4.961 7.251 0.651 19 1 "[ . 1 . +2 ]" 2
137 1 26 THR MG 1 50 MET QG 4.200 2.900 6.300 3.447 1.747 4.670 1.153 11 6 "[ -** 1+ . * 2* ]" 2
138 1 26 THR MG 1 104 TYR QE 4.000 . 5.000 4.368 2.196 5.095 0.095 16 0 "[ . 1 . 2 ]" 2
139 1 26 THR H 1 26 THR MG 4.200 2.200 5.400 3.576 1.916 4.119 0.284 16 0 "[ . 1 . 2 ]" 2
140 1 27 LEU HA 1 49 THR MG 5.100 2.600 6.600 2.044 1.451 2.991 1.149 14 15 "[*** .** *-* +*** * **]" 2
141 1 27 LEU HB2 1 27 LEU QD 2.700 . 3.100 2.231 2.058 2.336 . 0 0 "[ . 1 . 2 ]" 2
142 1 27 LEU H 1 27 LEU HB2 3.400 2.200 4.000 2.606 2.179 3.280 0.021 10 0 "[ . 1 . 2 ]" 2
143 1 27 LEU HB2 1 28 VAL H 4.200 2.200 5.400 4.576 4.279 4.658 . 0 0 "[ . 1 . 2 ]" 2
144 1 27 LEU HB3 1 27 LEU QD 2.700 . 3.100 2.361 2.084 2.461 . 0 0 "[ . 1 . 2 ]" 2
145 1 27 LEU H 1 27 LEU HB3 3.400 2.200 4.000 3.219 2.810 4.081 0.081 4 0 "[ . 1 . 2 ]" 2
146 1 27 LEU HB3 1 28 VAL H 4.200 2.200 5.400 4.235 3.781 4.346 . 0 0 "[ . 1 . 2 ]" 2
147 1 27 LEU HB3 1 47 THR MG 4.200 2.200 5.400 4.863 3.209 5.784 0.384 2 0 "[ . 1 . 2 ]" 2
148 1 27 LEU HB3 1 49 THR HA 4.200 2.200 5.400 5.649 4.638 6.048 0.648 5 4 "[ +* 1 . * 2- ]" 2
149 1 27 LEU QD 1 47 THR HB . . 3.100 2.610 1.435 3.094 0.565 3 2 "[ + . 1 . - ]" 2
150 1 27 LEU QD 1 28 VAL H 3.400 2.200 4.000 2.944 1.457 3.666 0.743 23 1 "[ . 1 . 2 + ]" 2
151 1 27 LEU QD 1 48 TYR H 4.200 2.200 5.400 3.360 2.560 4.127 . 0 0 "[ . 1 . 2 ]" 2
152 1 27 LEU QD 1 49 THR H 5.100 2.600 6.600 4.219 3.036 4.846 . 0 0 "[ . 1 . 2 ]" 2
153 1 27 LEU HA 1 28 VAL QG 3.400 2.200 4.000 3.593 3.326 4.082 0.082 7 0 "[ . 1 . 2 ]" 2
154 1 28 VAL QG 1 29 ARG H 3.400 2.200 4.000 2.336 2.036 2.866 0.164 17 0 "[ . 1 . 2 ]" 2
155 1 28 VAL QG 1 49 THR HA 3.400 2.200 4.000 2.572 1.816 3.809 0.384 17 0 "[ . 1 . 2 ]" 2
156 1 28 VAL QG 1 50 MET QG 3.200 . 3.800 2.841 1.905 3.421 . 0 0 "[ . 1 . 2 ]" 2
157 1 28 VAL QG 1 104 TYR QD 3.400 . 4.200 3.160 2.542 4.055 . 0 0 "[ . 1 . 2 ]" 2
158 1 28 VAL H 1 28 VAL QG 3.400 2.200 3.600 2.000 1.573 2.906 0.627 10 7 "[ . * + ** . * -* ]" 2
159 1 28 VAL QG 1 30 PRO QD 3.400 2.600 4.000 1.800 1.427 3.391 1.173 24 23 "[******** *-************+]" 2
160 1 28 VAL QG 1 48 TYR QB 4.200 2.200 5.400 2.797 2.182 3.315 0.018 16 0 "[ . 1 . 2 ]" 2
161 1 28 VAL QG 1 48 TYR H 3.400 2.200 4.000 3.581 3.128 3.989 . 0 0 "[ . 1 . 2 ]" 2
162 1 28 VAL H 1 49 THR HA 2.900 . 3.700 2.251 1.400 3.023 . 0 0 "[ . 1 . 2 ]" 2
163 1 28 VAL H 1 49 THR MG 5.100 2.600 6.600 3.199 2.543 3.811 0.057 11 0 "[ . 1 . 2 ]" 2
164 1 29 ARG HA 1 29 ARG QB 3.400 2.200 4.000 2.277 2.169 2.340 0.031 19 0 "[ . 1 . 2 ]" 2
165 1 29 ARG H 1 29 ARG HA 3.400 2.200 4.000 2.908 2.796 2.937 . 0 0 "[ . 1 . 2 ]" 2
166 1 29 ARG H 1 29 ARG HB3 4.200 2.200 5.400 3.833 3.585 3.936 . 0 0 "[ . 1 . 2 ]" 2
167 1 29 ARG HB3 1 47 THR MG 3.400 2.200 4.000 2.487 2.012 3.050 0.188 5 0 "[ . 1 . 2 ]" 2
168 1 28 VAL HA 1 29 ARG HB2 5.100 2.600 6.600 4.751 4.499 5.593 . 0 0 "[ . 1 . 2 ]" 2
169 1 29 ARG H 1 29 ARG HB2 4.200 2.200 5.400 3.002 2.743 3.946 . 0 0 "[ . 1 . 2 ]" 2
170 1 29 ARG HB2 1 47 THR HB 4.200 2.600 5.400 5.117 3.848 6.330 0.930 9 2 "[ . - +1 . 2 ]" 2
171 1 29 ARG HB2 1 47 THR MG 3.400 2.600 4.000 3.695 2.432 4.100 0.168 13 0 "[ . 1 . 2 ]" 2
172 1 29 ARG HA 1 29 ARG HD3 5.100 2.600 6.600 4.796 4.380 5.499 . 0 0 "[ . 1 . 2 ]" 2
173 1 29 ARG HA 1 29 ARG HD2 5.100 2.600 6.600 4.704 4.339 5.025 . 0 0 "[ . 1 . 2 ]" 2
174 1 27 LEU H 1 29 ARG QG 3.700 2.100 5.300 5.338 5.153 5.633 0.333 16 0 "[ . 1 . 2 ]" 2
175 1 28 VAL H 1 29 ARG QG 5.100 2.600 6.600 4.284 3.593 4.765 . 0 0 "[ . 1 . 2 ]" 2
176 1 29 ARG QD 1 29 ARG QG 2.700 . 3.100 2.028 1.997 2.092 0.003 2 0 "[ . 1 . 2 ]" 2
177 1 29 ARG H 1 29 ARG QG . 2.600 3.000 2.621 2.433 2.819 0.167 13 0 "[ . 1 . 2 ]" 2
178 1 29 ARG QG 1 30 PRO QD 3.400 2.200 4.000 4.013 3.567 4.160 0.160 22 0 "[ . 1 . 2 ]" 2
179 1 30 PRO HB3 1 30 PRO QD 3.400 2.200 4.000 3.227 2.894 3.528 . 0 0 "[ . 1 . 2 ]" 2
180 1 30 PRO HB2 1 30 PRO QD 3.400 2.200 4.000 3.348 2.846 3.554 . 0 0 "[ . 1 . 2 ]" 2
181 1 30 PRO QD 1 35 LEU QD 3.400 2.200 4.000 2.246 1.789 3.098 0.411 14 0 "[ . 1 . 2 ]" 2
182 1 30 PRO QD 1 48 TYR QD 4.200 2.600 5.400 3.207 2.290 4.352 0.310 7 0 "[ . 1 . 2 ]" 2
183 1 30 PRO QD 1 48 TYR QE 4.200 2.600 5.400 4.703 4.129 5.381 . 0 0 "[ . 1 . 2 ]" 2
184 1 32 PRO HA 1 35 LEU HB3 4.200 2.200 5.400 5.118 4.453 6.073 0.673 10 3 "[ . +- . 2 *]" 2
185 1 32 PRO HA 1 35 LEU HB2 4.200 2.200 5.400 3.566 2.782 4.849 . 0 0 "[ . 1 . 2 ]" 2
186 1 33 LEU HA 1 35 LEU QD 3.400 2.200 4.000 4.126 4.021 4.294 0.294 6 0 "[ . 1 . 2 ]" 2
187 1 33 LEU HA 1 84 ASP HB3 3.200 . 3.800 3.729 3.236 3.983 0.183 18 0 "[ . 1 . 2 ]" 2
188 1 33 LEU HA 1 84 ASP HB2 3.200 . 3.800 3.808 2.399 3.990 0.190 21 0 "[ . 1 . 2 ]" 2
189 1 33 LEU HA 1 33 LEU QB 3.400 2.200 4.000 2.370 2.155 2.490 0.045 22 0 "[ . 1 . 2 ]" 2
190 1 33 LEU H 1 33 LEU QB 3.400 2.200 4.000 2.855 2.423 3.410 . 0 0 "[ . 1 . 2 ]" 2
191 1 33 LEU HA 1 33 LEU MD1 3.400 2.200 4.000 3.174 1.919 3.873 0.281 3 0 "[ . 1 . 2 ]" 2
192 1 33 LEU H 1 33 LEU MD1 4.200 2.200 5.400 4.091 2.322 4.920 . 0 0 "[ . 1 . 2 ]" 2
193 1 33 LEU MD1 1 84 ASP QB 3.400 2.200 4.000 3.262 1.812 4.123 0.388 1 0 "[ . 1 . 2 ]" 2
194 1 33 LEU MD2 1 84 ASP QB 3.400 2.200 4.000 3.046 1.804 4.049 0.396 8 0 "[ . 1 . 2 ]" 2
195 1 33 LEU H 1 33 LEU HG 4.200 2.200 5.400 3.855 2.243 5.292 . 0 0 "[ . 1 . 2 ]" 2
196 1 34 LEU HA 1 35 LEU HA 4.200 2.200 5.400 4.611 4.374 5.355 . 0 0 "[ . 1 . 2 ]" 2
197 1 34 LEU HA 1 38 LEU QD 5.100 2.600 6.600 4.365 3.203 6.774 0.174 10 0 "[ . 1 . 2 ]" 2
198 1 33 LEU H 1 34 LEU QB 4.200 2.200 5.400 4.147 3.539 5.765 0.365 10 0 "[ . 1 . 2 ]" 2
199 1 34 LEU HA 1 34 LEU QB 3.400 2.200 4.000 2.377 2.162 2.528 0.038 7 0 "[ . 1 . 2 ]" 2
200 1 34 LEU H 1 34 LEU QB 3.400 2.200 4.000 2.608 2.268 2.973 . 0 0 "[ . 1 . 2 ]" 2
201 1 34 LEU QB 1 38 LEU H 4.200 2.200 5.400 4.917 4.056 6.061 0.661 6 1 "[ .+ 1 . 2 ]" 2
202 1 34 LEU QD 1 37 LEU QB 2.900 . 3.500 3.038 1.745 3.427 . 0 0 "[ . 1 . 2 ]" 2
203 1 34 LEU QB 1 34 LEU HG 2.700 . 3.100 2.325 2.158 2.533 . 0 0 "[ . 1 . 2 ]" 2
204 1 34 LEU H 1 35 LEU HA 3.700 . 4.500 4.442 4.170 4.804 0.304 20 0 "[ . 1 . 2 ]" 2
205 1 34 LEU H 1 35 LEU QD 4.200 2.200 5.400 1.892 1.602 2.366 0.598 23 6 "[ ***. * 1 - . 2 + ]" 2
206 1 35 LEU HA 1 35 LEU HB2 3.400 2.200 4.000 2.974 2.738 3.028 . 0 0 "[ . 1 . 2 ]" 2
207 1 35 LEU HA 1 35 LEU QD 2.700 2.200 4.000 2.791 2.080 3.346 0.120 21 0 "[ . 1 . 2 ]" 2
208 1 35 LEU HA 1 35 LEU HG 4.200 2.200 5.400 3.210 2.431 4.137 . 0 0 "[ . 1 . 2 ]" 2
209 1 35 LEU H 1 35 LEU HA 4.200 2.200 5.400 2.865 2.258 2.952 . 0 0 "[ . 1 . 2 ]" 2
210 1 35 LEU HA 1 38 LEU QB 3.400 2.600 4.000 2.469 1.816 4.362 0.784 20 4 "[ . * -1 *. + ]" 2
211 1 35 LEU HA 1 38 LEU QD 3.700 2.200 4.000 3.323 2.304 3.801 . 0 0 "[ . 1 . 2 ]" 2
212 1 35 LEU HA 1 38 LEU H 2.700 . 3.000 2.409 2.066 2.719 . 0 0 "[ . 1 . 2 ]" 2
213 1 35 LEU HA 1 48 TYR QE 2.700 . 3.400 3.532 3.186 3.734 0.334 12 0 "[ . 1 . 2 ]" 2
214 1 35 LEU HB3 1 36 LYS H 4.200 2.200 5.400 3.856 2.865 4.261 . 0 0 "[ . 1 . 2 ]" 2
215 1 35 LEU HB2 1 35 LEU QD . 2.200 3.100 2.149 2.075 2.311 0.125 5 0 "[ . 1 . 2 ]" 2
216 1 35 LEU HB2 1 36 LYS H 4.200 2.200 5.400 2.780 2.024 3.533 0.176 6 0 "[ . 1 . 2 ]" 2
217 1 35 LEU H 1 35 LEU QD 4.200 2.200 5.400 1.743 1.390 2.446 0.810 8 14 "[* * . *+ 1 *****-* * ** ]" 2
218 1 35 LEU QD 1 36 LYS H 5.100 2.600 6.600 3.149 2.519 4.176 0.081 13 0 "[ . 1 . 2 ]" 2
219 1 35 LEU QD 1 38 LEU QD 3.400 2.200 4.000 3.487 2.652 3.886 . 0 0 "[ . 1 . 2 ]" 2
220 1 35 LEU QD 1 39 LYS QD 3.400 2.200 4.000 3.763 3.371 3.921 . 0 0 "[ . 1 . 2 ]" 2
221 1 35 LEU QD 1 39 LYS QE 3.400 2.200 4.000 3.049 2.015 3.527 0.185 6 0 "[ . 1 . 2 ]" 2
222 1 35 LEU QD 1 39 LYS HG3 3.400 2.200 4.000 3.770 3.543 3.921 . 0 0 "[ . 1 . 2 ]" 2
223 1 35 LEU QD 1 39 LYS HG2 4.200 2.200 5.400 4.676 4.166 5.128 . 0 0 "[ . 1 . 2 ]" 2
224 1 35 LEU QD 1 39 LYS H 5.100 2.600 6.600 4.526 3.946 4.839 . 0 0 "[ . 1 . 2 ]" 2
225 1 35 LEU QD 1 43 ALA MB 4.200 . 5.200 4.671 4.184 5.078 . 0 0 "[ . 1 . 2 ]" 2
226 1 35 LEU QD 1 48 TYR QD 4.200 2.600 5.400 2.104 1.715 2.696 0.885 6 13 "[ * *+* ** *. *-** **]" 2
227 1 35 LEU QD 1 48 TYR QE 3.400 2.600 4.000 1.773 1.316 2.436 1.284 9 19 "[******* +** *.-****** *]" 2
228 1 35 LEU QD 1 49 THR HA 5.100 2.600 6.600 7.105 6.937 7.356 0.756 10 11 "[ **-* +* ** *2* * ]" 2
229 1 35 LEU QD 1 37 LEU QD 5.100 2.600 6.600 4.808 4.064 5.395 . 0 0 "[ . 1 . 2 ]" 2
230 1 35 LEU QD 1 40 SER H 5.100 2.600 6.600 6.328 5.914 6.562 . 0 0 "[ . 1 . 2 ]" 2
231 1 35 LEU HB3 1 35 LEU HG 2.700 . 3.100 2.519 2.311 2.789 . 0 0 "[ . 1 . 2 ]" 2
232 1 35 LEU HG 1 48 TYR QD 3.400 . 3.700 3.602 3.209 3.792 0.092 16 0 "[ . 1 . 2 ]" 2
233 1 35 LEU H 1 38 LEU QD 5.100 2.600 6.600 4.715 3.793 5.799 . 0 0 "[ . 1 . 2 ]" 2
234 1 36 LYS HA 1 36 LYS QG 3.400 2.200 4.000 2.541 2.334 2.918 . 0 0 "[ . 1 . 2 ]" 2
235 1 36 LYS H 1 36 LYS HB2 . 2.200 3.000 2.470 2.257 3.225 0.225 17 0 "[ . 1 . 2 ]" 2
236 1 36 LYS HB2 1 37 LEU H . 2.200 4.000 3.620 3.148 4.131 0.131 18 0 "[ . 1 . 2 ]" 2
237 1 36 LYS H 1 36 LYS HB3 2.700 . 3.500 3.304 2.599 3.641 0.141 17 0 "[ . 1 . 2 ]" 2
238 1 36 LYS HB3 1 37 LEU H 3.400 2.200 4.000 3.660 2.723 4.070 0.070 23 0 "[ . 1 . 2 ]" 2
239 1 36 LYS QG 1 39 LYS QE 4.200 2.200 5.400 4.715 2.982 6.059 0.659 2 5 "[ + . 1 * . * 2- *]" 2
240 1 36 LYS H 1 39 LYS HG3 5.100 2.600 6.600 4.613 1.620 5.395 0.980 6 3 "[ .+ * 1 . - 2 ]" 2
241 1 37 LEU HA 1 37 LEU QB 3.400 2.200 4.000 2.378 2.184 2.485 0.016 24 0 "[ . 1 . 2 ]" 2
242 1 37 LEU HA 1 37 LEU QD 3.400 2.200 4.000 2.437 1.870 3.161 0.330 13 0 "[ . 1 . 2 ]" 2
243 1 37 LEU H 1 37 LEU HA 3.400 2.200 4.000 2.903 2.850 2.944 . 0 0 "[ . 1 . 2 ]" 2
244 1 37 LEU HA 1 38 LEU H 2.700 . 3.500 3.460 3.291 3.587 0.087 13 0 "[ . 1 . 2 ]" 2
245 1 37 LEU HA 1 60 TYR QD 2.700 . 4.000 3.940 2.866 4.097 0.097 19 0 "[ . 1 . 2 ]" 2
246 1 37 LEU HA 1 60 TYR QE 4.200 2.200 5.400 3.668 2.600 4.080 . 0 0 "[ . 1 . 2 ]" 2
247 1 37 LEU QB 1 37 LEU QD 2.700 2.200 3.100 1.928 1.776 2.059 0.424 9 0 "[ . 1 . 2 ]" 2
248 1 37 LEU H 1 37 LEU QB 3.400 2.200 4.000 2.285 2.142 2.880 0.058 10 0 "[ . 1 . 2 ]" 2
249 1 33 LEU H 1 37 LEU QD 5.100 2.600 6.600 6.045 5.656 6.756 0.156 21 0 "[ . 1 . 2 ]" 2
250 1 37 LEU MD1 1 37 LEU MD2 3.400 2.200 4.000 2.067 2.036 2.085 0.164 8 0 "[ . 1 . 2 ]" 2
251 1 37 LEU QD 1 38 LEU QB 3.400 2.200 4.000 3.660 2.809 3.938 . 0 0 "[ . 1 . 2 ]" 2
252 1 37 LEU QD 1 38 LEU QD 3.400 2.200 4.000 1.776 1.423 2.481 0.777 16 10 "[****. ** .+- *2 * ]" 2
253 1 37 LEU QD 1 38 LEU H 4.200 2.600 5.400 3.363 2.975 3.832 . 0 0 "[ . 1 . 2 ]" 2
254 1 37 LEU QD 1 40 SER H 5.100 2.600 6.600 4.970 4.361 5.563 . 0 0 "[ . 1 . 2 ]" 2
255 1 37 LEU QD 1 41 VAL QG 3.400 2.200 4.000 3.429 2.970 4.036 0.036 24 0 "[ . 1 . 2 ]" 2
256 1 37 LEU QD 1 57 LEU HA 3.400 2.200 4.000 2.661 1.958 3.545 0.242 13 0 "[ . 1 . 2 ]" 2
257 1 37 LEU QD 1 57 LEU MD2 3.400 2.200 4.000 2.270 1.568 3.352 0.632 17 1 "[ . 1 . + 2 ]" 2
258 1 37 LEU QD 1 60 TYR HB2 3.700 2.600 4.300 2.767 2.228 3.952 0.372 3 0 "[ . 1 . 2 ]" 2
259 1 37 LEU QD 1 60 TYR HB3 3.400 2.200 4.000 2.331 1.926 3.698 0.274 15 0 "[ . 1 . 2 ]" 2
260 1 37 LEU QD 1 60 TYR QD 2.700 . 3.000 2.402 1.952 2.663 0.048 19 0 "[ . 1 . 2 ]" 2
261 1 37 LEU QD 1 60 TYR QE 4.200 2.200 5.400 2.739 2.063 3.279 0.137 19 0 "[ . 1 . 2 ]" 2
262 1 37 LEU QD 1 60 TYR H 5.100 2.600 6.600 4.013 3.491 5.359 . 0 0 "[ . 1 . 2 ]" 2
263 1 37 LEU QD 1 82 LEU HA 3.400 2.200 4.000 2.384 1.868 3.389 0.332 19 0 "[ . 1 . 2 ]" 2
264 1 37 LEU QD 1 40 SER HB3 5.100 2.600 6.600 5.033 3.587 6.768 0.168 11 0 "[ . 1 . 2 ]" 2
265 1 37 LEU QD 1 57 LEU MD1 2.700 . 3.100 2.325 1.528 3.330 0.472 16 0 "[ . 1 . 2 ]" 2
266 1 37 LEU QD 1 82 LEU H 5.100 2.600 6.600 2.880 2.197 4.740 0.403 12 0 "[ . 1 . 2 ]" 2
267 1 37 LEU QD 1 85 LEU QD 3.400 2.200 4.000 2.241 1.509 3.375 0.691 11 3 "[ . *1+ . 2 -]" 2
268 1 37 LEU QD 1 37 LEU HG 2.700 . 3.100 1.881 1.866 1.895 0.134 8 0 "[ . 1 . 2 ]" 2
269 1 37 LEU HG 1 60 TYR QD 4.200 2.200 5.400 3.975 2.480 5.105 . 0 0 "[ . 1 . 2 ]" 2
270 1 37 LEU H 1 37 LEU HG 5.100 2.600 6.600 4.444 1.808 4.665 0.792 24 1 "[ . 1 . 2 +]" 2
271 1 38 LEU HA 1 38 LEU QB 4.200 2.200 5.400 2.406 2.120 2.537 0.080 13 0 "[ . 1 . 2 ]" 2
272 1 38 LEU H 1 38 LEU HA 4.200 2.200 5.400 2.924 2.771 2.947 . 0 0 "[ . 1 . 2 ]" 2
273 1 38 LEU HA 1 41 VAL QG 3.400 2.200 4.000 1.858 1.600 2.212 0.600 12 3 "[ .* 1-+ . 2 ]" 2
274 1 38 LEU HA 1 43 ALA MB 4.200 2.200 5.400 3.768 3.295 4.540 . 0 0 "[ . 1 . 2 ]" 2
275 1 35 LEU QD 1 38 LEU QB 4.200 2.600 5.400 3.860 3.024 5.008 . 0 0 "[ . 1 . 2 ]" 2
276 1 38 LEU H 1 38 LEU QB 5.100 2.600 6.000 2.452 2.095 3.310 0.505 24 1 "[ . 1 . 2 +]" 2
277 1 38 LEU QB 1 39 LYS H 5.100 2.600 6.600 2.504 2.148 3.936 0.452 21 0 "[ . 1 . 2 ]" 2
278 1 38 LEU QB 1 43 ALA MB . 2.200 3.100 2.324 1.767 3.036 0.433 5 0 "[ . 1 . 2 ]" 2
279 1 38 LEU QD 1 41 VAL QG 3.400 2.200 4.000 2.621 2.191 3.349 0.009 10 0 "[ . 1 . 2 ]" 2
280 1 38 LEU QD 1 48 TYR QE 5.100 2.600 5.400 2.622 2.244 3.187 0.356 12 0 "[ . 1 . 2 ]" 2
281 1 38 LEU QD 1 56 TYR HA 4.500 2.100 4.700 3.757 3.385 4.260 . 0 0 "[ . 1 . 2 ]" 2
282 1 38 LEU QD 1 56 TYR QB 3.400 2.600 4.000 1.841 1.393 2.464 1.207 17 16 "[ ***-*** 1 * ***+ **** ]" 2
283 1 38 LEU QD 1 56 TYR QD 3.400 2.200 4.000 3.026 2.726 3.410 . 0 0 "[ . 1 . 2 ]" 2
284 1 38 LEU QD 1 56 TYR QE 4.200 2.200 5.400 4.328 3.992 4.723 . 0 0 "[ . 1 . 2 ]" 2
285 1 38 LEU QD 1 56 TYR H 4.200 2.200 5.400 4.022 3.672 4.476 . 0 0 "[ . 1 . 2 ]" 2
286 1 38 LEU QB 1 38 LEU QD . 2.200 4.000 1.967 1.929 2.047 0.271 6 0 "[ . 1 . 2 ]" 2
287 1 38 LEU MD1 1 38 LEU MD2 2.700 . 3.100 2.081 2.063 2.098 . 0 0 "[ . 1 . 2 ]" 2
288 1 38 LEU QD 1 43 ALA MB 4.200 2.200 5.400 3.257 2.682 3.795 . 0 0 "[ . 1 . 2 ]" 2
289 1 38 LEU QD 1 48 TYR QD 2.700 2.600 3.000 2.855 2.551 3.093 0.093 6 0 "[ . 1 . 2 ]" 2
290 1 38 LEU QD 1 53 VAL HB 5.100 2.600 6.600 3.528 1.881 4.454 0.719 5 1 "[ + 1 . 2 ]" 2
291 1 38 LEU H 1 38 LEU QD 3.400 2.200 4.000 3.114 1.908 3.556 0.292 13 0 "[ . 1 . 2 ]" 2
292 1 39 LYS HA 1 39 LYS QD 3.400 2.200 4.000 4.040 3.998 4.092 0.092 12 0 "[ . 1 . 2 ]" 2
293 1 39 LYS HA 1 39 LYS HG3 3.400 2.200 4.000 3.044 2.682 3.214 . 0 0 "[ . 1 . 2 ]" 2
294 1 39 LYS HA 1 39 LYS HG2 3.400 2.200 4.000 2.594 2.508 2.793 . 0 0 "[ . 1 . 2 ]" 2
295 1 39 LYS HA 1 43 ALA MB 3.400 2.200 4.000 2.040 1.457 2.355 0.743 6 1 "[ .+ 1 . 2 ]" 2
296 1 39 LYS HA 1 43 ALA H . 2.200 3.000 2.913 2.515 3.108 0.108 24 0 "[ . 1 . 2 ]" 2
297 1 39 LYS QB 1 40 SER H 3.400 2.200 4.000 3.059 2.655 3.395 . 0 0 "[ . 1 . 2 ]" 2
298 1 39 LYS QB 1 43 ALA MB 5.100 2.600 6.600 3.692 3.310 4.030 . 0 0 "[ . 1 . 2 ]" 2
299 1 39 LYS QE 1 39 LYS HG2 3.400 2.200 4.000 3.090 2.331 3.427 . 0 0 "[ . 1 . 2 ]" 2
300 1 39 LYS QE 1 43 ALA MB 4.200 2.200 5.400 4.736 4.118 5.156 . 0 0 "[ . 1 . 2 ]" 2
301 1 39 LYS H 1 39 LYS HG3 4.200 2.200 5.400 2.166 1.882 3.480 0.318 22 0 "[ . 1 . 2 ]" 2
302 1 39 LYS H 1 39 LYS HG2 4.200 2.200 5.400 3.380 3.061 4.484 . 0 0 "[ . 1 . 2 ]" 2
303 1 39 LYS H 1 43 ALA MB 3.400 2.200 4.000 3.015 2.568 4.058 0.058 13 0 "[ . 1 . 2 ]" 2
304 1 40 SER QB 1 41 VAL QG 5.100 2.600 6.600 3.309 2.897 3.830 . 0 0 "[ . 1 . 2 ]" 2
305 1 40 SER H 1 41 VAL QG 4.200 2.600 5.400 3.405 3.039 3.742 . 0 0 "[ . 1 . 2 ]" 2
306 1 41 VAL HA 1 41 VAL HB 3.400 2.200 4.000 2.643 2.296 2.929 . 0 0 "[ . 1 . 2 ]" 2
307 1 41 VAL HB 1 41 VAL QG 2.700 . 3.100 1.887 1.873 1.894 0.127 12 0 "[ . 1 . 2 ]" 2
308 1 41 VAL HB 1 42 GLY H 5.100 2.600 6.600 3.272 1.667 4.408 0.933 20 4 "[ **. 1 - . + ]" 2
309 1 41 VAL HB 1 56 TYR QD 5.100 2.600 6.600 4.028 2.705 5.257 . 0 0 "[ . 1 . 2 ]" 2
310 1 41 VAL HB 1 59 GLN QB 4.200 2.600 5.400 3.845 3.483 5.146 . 0 0 "[ . 1 . 2 ]" 2
311 1 41 VAL HB 1 60 TYR HA 5.100 . 6.100 4.271 2.391 5.911 . 0 0 "[ . 1 . 2 ]" 2
312 1 41 VAL H 1 41 VAL QG 3.400 2.200 3.600 1.784 1.631 2.240 0.569 17 5 "[* . 1 ** . + 2 - ]" 2
313 1 41 VAL QG 1 42 GLY H . 2.200 3.000 2.517 1.678 2.941 0.522 22 1 "[ . 1 . 2 + ]" 2
314 1 41 VAL QG 1 43 ALA MB 3.400 2.200 4.000 3.419 2.571 3.868 . 0 0 "[ . 1 . 2 ]" 2
315 1 41 VAL QG 1 56 TYR QD . 2.200 3.000 2.380 1.908 2.597 0.292 19 0 "[ . 1 . 2 ]" 2
316 1 41 VAL QG 1 56 TYR QE . 2.200 3.000 2.779 2.370 3.030 0.030 12 0 "[ . 1 . 2 ]" 2
317 1 41 VAL QG 1 59 GLN QB 3.400 2.600 4.000 1.821 1.591 2.829 1.009 12 22 "[***********+ *-*** *****]" 2
318 1 41 VAL QG 1 60 TYR HA 3.000 2.200 3.600 2.735 2.348 3.059 . 0 0 "[ . 1 . 2 ]" 2
319 1 41 VAL QG 1 60 TYR HB3 3.700 . 4.500 3.590 3.391 3.870 . 0 0 "[ . 1 . 2 ]" 2
320 1 41 VAL QG 1 60 TYR HB2 3.700 2.200 4.000 2.304 2.077 2.594 0.123 19 0 "[ . 1 . 2 ]" 2
321 1 41 VAL QG 1 60 TYR QD 2.700 2.200 3.000 2.664 2.145 2.958 0.055 1 0 "[ . 1 . 2 ]" 2
322 1 41 VAL QG 1 60 TYR H . 2.200 3.000 2.764 2.625 2.932 . 0 0 "[ . 1 . 2 ]" 2
323 1 41 VAL QG 1 63 THR HA 4.500 . 5.300 5.302 4.640 6.141 0.841 24 3 "[ *. 1 - . 2 +]" 2
324 1 41 VAL QG 1 63 THR HB 3.800 . 4.600 3.622 2.836 4.890 0.290 24 0 "[ . 1 . 2 ]" 2
325 1 41 VAL H 1 41 VAL HB 5.100 2.600 6.600 3.015 2.421 3.320 0.179 22 0 "[ . 1 . 2 ]" 2
326 1 42 GLY QA 1 43 ALA H 4.200 2.200 5.400 2.816 2.495 2.892 . 0 0 "[ . 1 . 2 ]" 2
327 1 42 GLY H 1 42 GLY HA2 3.400 2.200 4.000 2.783 2.590 2.910 . 0 0 "[ . 1 . 2 ]" 2
328 1 42 GLY H 1 43 ALA MB 4.200 2.200 5.400 3.586 3.318 4.697 . 0 0 "[ . 1 . 2 ]" 2
329 1 43 ALA H 1 43 ALA MB . 2.200 3.000 2.248 2.228 2.366 . 0 0 "[ . 1 . 2 ]" 2
330 1 43 ALA MB 1 44 GLN HA 4.200 2.200 5.400 3.847 3.702 4.164 . 0 0 "[ . 1 . 2 ]" 2
331 1 43 ALA MB 1 44 GLN HB3 4.200 2.200 5.400 4.938 4.404 5.678 0.278 2 0 "[ . 1 . 2 ]" 2
332 1 43 ALA MB 1 48 TYR QD 4.200 2.200 5.400 3.972 3.685 4.731 . 0 0 "[ . 1 . 2 ]" 2
333 1 43 ALA MB 1 48 TYR QE 3.400 2.200 4.000 2.103 1.687 3.088 0.513 23 1 "[ . 1 . 2 + ]" 2
334 1 43 ALA MB 1 56 TYR QD 3.400 2.200 4.000 3.309 2.970 4.026 0.026 6 0 "[ . 1 . 2 ]" 2
335 1 43 ALA MB 1 56 TYR QE 3.400 2.200 4.000 2.822 2.496 3.581 . 0 0 "[ . 1 . 2 ]" 2
336 1 44 GLN HA 1 44 GLN HB2 3.400 2.200 4.000 2.586 2.378 3.024 . 0 0 "[ . 1 . 2 ]" 2
337 1 44 GLN HA 1 44 GLN HG2 3.400 2.200 4.000 3.241 2.515 3.768 . 0 0 "[ . 1 . 2 ]" 2
338 1 44 GLN HA 1 44 GLN HB3 3.400 2.200 4.000 2.823 2.430 3.029 . 0 0 "[ . 1 . 2 ]" 2
339 1 44 GLN H 1 44 GLN HB3 4.200 2.200 5.400 3.341 2.651 3.896 . 0 0 "[ . 1 . 2 ]" 2
340 1 44 GLN H 1 44 GLN HB2 4.200 2.200 5.400 3.393 2.821 4.041 . 0 0 "[ . 1 . 2 ]" 2
341 1 44 GLN HB2 1 45 LYS H 5.100 2.600 6.600 4.352 2.924 4.656 . 0 0 "[ . 1 . 2 ]" 2
342 1 44 GLN H 1 44 GLN HG3 4.200 2.200 5.400 4.427 3.277 4.873 . 0 0 "[ . 1 . 2 ]" 2
343 1 44 GLN HB2 1 44 GLN HG2 2.700 . 3.100 2.827 2.435 3.012 . 0 0 "[ . 1 . 2 ]" 2
344 1 45 LYS HA 1 45 LYS HG3 4.200 2.200 5.400 3.155 2.491 3.667 . 0 0 "[ . 1 . 2 ]" 2
345 1 45 LYS HA 1 45 LYS HG2 4.200 2.200 5.400 2.722 2.549 3.654 . 0 0 "[ . 1 . 2 ]" 2
346 1 45 LYS H 1 45 LYS HB3 . 2.200 4.000 3.711 3.054 3.916 . 0 0 "[ . 1 . 2 ]" 2
347 1 45 LYS HB3 1 47 THR H . 2.200 3.000 2.571 2.254 3.156 0.156 22 0 "[ . 1 . 2 ]" 2
348 1 45 LYS HB2 1 45 LYS QD 2.700 . 3.100 2.776 2.354 2.958 . 0 0 "[ . 1 . 2 ]" 2
349 1 45 LYS HB2 1 45 LYS QE 2.700 2.200 3.100 2.114 1.877 2.902 0.323 11 0 "[ . 1 . 2 ]" 2
350 1 45 LYS H 1 45 LYS HB2 . 2.600 3.000 2.760 2.491 3.546 0.546 22 1 "[ . 1 . 2 + ]" 2
351 1 45 LYS HB2 1 47 THR H . 2.600 3.000 2.973 1.866 3.112 0.734 22 1 "[ . 1 . 2 + ]" 2
352 1 45 LYS H 1 45 LYS QD 5.100 2.600 6.600 4.228 1.549 4.876 1.051 11 1 "[ . 1+ . 2 ]" 2
353 1 45 LYS QD 1 45 LYS QE 2.700 . 3.100 2.058 2.001 2.092 . 0 0 "[ . 1 . 2 ]" 2
354 1 45 LYS QE 1 48 TYR QD 3.400 2.200 4.000 3.761 2.850 4.069 0.069 7 0 "[ . 1 . 2 ]" 2
355 1 45 LYS QE 1 48 TYR QE 4.200 2.200 5.400 3.879 2.570 4.818 . 0 0 "[ . 1 . 2 ]" 2
356 1 45 LYS HB3 1 45 LYS QG 3.400 2.200 4.000 2.323 2.153 2.372 0.047 11 0 "[ . 1 . 2 ]" 2
357 1 45 LYS HB2 1 45 LYS QG 3.400 2.200 4.000 2.359 2.316 2.433 . 0 0 "[ . 1 . 2 ]" 2
358 1 45 LYS QE 1 45 LYS QG 2.700 . 3.100 2.497 2.315 2.802 . 0 0 "[ . 1 . 2 ]" 2
359 1 45 LYS QE 1 45 LYS HG3 3.400 2.200 4.000 2.763 2.368 3.496 . 0 0 "[ . 1 . 2 ]" 2
360 1 45 LYS H 1 45 LYS HG3 4.200 2.200 5.400 2.597 1.779 3.148 0.421 9 0 "[ . 1 . 2 ]" 2
361 1 45 LYS QE 1 45 LYS HG2 3.400 2.200 4.000 3.198 2.364 3.515 . 0 0 "[ . 1 . 2 ]" 2
362 1 45 LYS H 1 45 LYS HG2 4.200 2.200 5.400 3.605 2.012 4.304 0.188 22 0 "[ . 1 . 2 ]" 2
363 1 45 LYS H 1 45 LYS QE 5.100 2.600 6.600 3.998 2.727 5.127 . 0 0 "[ . 1 . 2 ]" 2
364 1 46 ASP HA 1 46 ASP QB 4.200 2.200 5.400 2.313 2.185 2.371 0.015 17 0 "[ . 1 . 2 ]" 2
365 1 46 ASP QB 1 47 THR MG 3.400 2.200 4.000 3.122 2.664 4.001 0.001 22 0 "[ . 1 . 2 ]" 2
366 1 46 ASP QB 1 47 THR H 4.200 2.200 5.400 3.273 2.567 3.911 . 0 0 "[ . 1 . 2 ]" 2
367 1 47 THR H 1 47 THR HA 4.200 2.200 5.400 2.885 2.270 2.951 . 0 0 "[ . 1 . 2 ]" 2
368 1 47 THR MG 1 48 TYR H 3.400 2.200 4.000 3.550 3.118 3.729 . 0 0 "[ . 1 . 2 ]" 2
369 1 47 THR H 1 48 TYR H 4.200 2.200 5.400 4.429 4.346 4.605 . 0 0 "[ . 1 . 2 ]" 2
370 1 48 TYR HA 1 48 TYR QD . 2.200 4.000 2.929 2.651 3.073 . 0 0 "[ . 1 . 2 ]" 2
371 1 48 TYR HA 1 48 TYR QB 3.400 2.200 4.000 2.422 2.401 2.441 . 0 0 "[ . 1 . 2 ]" 2
372 1 48 TYR QB 1 48 TYR QD 2.700 2.200 3.000 2.121 2.112 2.128 0.088 19 0 "[ . 1 . 2 ]" 2
373 1 48 TYR H 1 48 TYR QB . 2.200 3.000 2.637 2.376 2.738 . 0 0 "[ . 1 . 2 ]" 2
374 1 48 TYR QB 1 49 THR H . 2.600 3.000 2.128 1.901 2.893 0.699 4 15 "[***+. * *1* **-**** *]" 2
375 1 48 TYR QB 1 52 GLU HB3 3.800 2.800 4.400 2.954 2.744 3.150 0.056 17 0 "[ . 1 . 2 ]" 2
376 1 48 TYR QB 1 52 GLU HB2 3.800 2.800 4.400 4.052 3.253 4.383 . 0 0 "[ . 1 . 2 ]" 2
377 1 48 TYR QB 1 53 VAL QG 3.200 2.200 3.800 2.256 2.022 2.851 0.178 17 0 "[ . 1 . 2 ]" 2
378 1 48 TYR QB 1 53 VAL H 4.200 2.200 5.400 3.415 2.735 3.795 . 0 0 "[ . 1 . 2 ]" 2
379 1 28 VAL H 1 48 TYR QB 5.100 2.600 6.600 4.311 3.533 4.705 . 0 0 "[ . 1 . 2 ]" 2
380 1 47 THR HA 1 48 TYR QD 2.700 . 3.000 3.227 3.145 3.321 0.321 13 0 "[ . 1 . 2 ]" 2
381 1 48 TYR QD 1 49 THR H 2.700 . 3.000 3.256 3.143 3.391 0.391 23 0 "[ . 1 . 2 ]" 2
382 1 48 TYR QD 1 52 GLU QB 3.500 2.500 4.300 2.484 2.386 2.763 0.114 21 0 "[ . 1 . 2 ]" 2
383 1 48 TYR QD 1 53 VAL HB 5.100 2.600 6.600 4.860 2.594 6.067 0.006 10 0 "[ . 1 . 2 ]" 2
384 1 48 TYR QD 1 53 VAL QG 3.200 2.200 3.800 3.096 2.245 3.747 . 0 0 "[ . 1 . 2 ]" 2
385 1 48 TYR QE 1 52 GLU QB 4.800 2.800 6.800 4.393 4.196 4.786 . 0 0 "[ . 1 . 2 ]" 2
386 1 48 TYR QE 1 53 VAL QG 5.100 2.600 6.600 4.227 3.547 4.841 . 0 0 "[ . 1 . 2 ]" 2
387 1 48 TYR QE 1 56 TYR QE 3.400 2.200 4.000 3.701 3.085 4.038 0.038 19 0 "[ . 1 . 2 ]" 2
388 1 48 TYR H 1 48 TYR QD 4.200 2.200 5.400 3.235 2.642 3.611 . 0 0 "[ . 1 . 2 ]" 2
389 1 49 THR HA 1 50 MET H . 2.200 3.000 2.488 2.160 2.965 0.040 14 0 "[ . 1 . 2 ]" 2
390 1 49 THR HA 1 53 VAL QG 4.500 3.500 5.300 3.967 3.651 4.233 . 0 0 "[ . 1 . 2 ]" 2
391 1 49 THR H 1 49 THR MG 3.400 2.200 4.000 3.194 2.681 4.019 0.019 14 0 "[ . 1 . 2 ]" 2
392 1 49 THR MG 1 50 MET H 4.200 . 5.800 3.211 1.474 3.890 0.526 7 2 "[ . + 1 . 2 - ]" 2
393 1 49 THR MG 1 50 MET HA 3.800 2.800 4.600 5.215 3.896 5.698 1.098 12 18 "[****** -** +* .* ***** *]" 2
394 1 49 THR MG 1 52 GLU H 4.200 2.200 5.400 4.241 3.703 4.793 . 0 0 "[ . 1 . 2 ]" 2
395 1 49 THR H 1 49 THR HA 2.700 . 3.000 2.924 2.893 2.944 . 0 0 "[ . 1 . 2 ]" 2
396 1 49 THR H 1 52 GLU HB3 4.200 2.200 5.400 2.274 1.700 2.942 0.500 11 1 "[ . 1+ . 2 ]" 2
397 1 49 THR H 1 52 GLU HB2 5.100 2.600 6.600 2.513 1.978 2.883 0.622 18 1 "[ . 1 . + 2 ]" 2
398 1 51 LYS H 1 52 GLU HB2 3.400 2.200 4.000 4.130 4.039 4.234 0.234 10 0 "[ . 1 . 2 ]" 2
399 1 52 GLU HA 1 52 GLU HB3 3.400 2.200 4.000 2.949 2.712 2.998 . 0 0 "[ . 1 . 2 ]" 2
400 1 52 GLU HA 1 52 GLU HB2 4.200 2.200 5.400 2.707 2.623 2.946 . 0 0 "[ . 1 . 2 ]" 2
401 1 52 GLU H 1 52 GLU HB3 . 2.600 3.000 3.018 2.884 3.414 0.414 18 0 "[ . 1 . 2 ]" 2
402 1 52 GLU H 1 52 GLU HB2 . 2.600 4.000 2.110 2.003 2.180 0.597 21 11 "[* - .** * * *. ** 2+ *]" 2
403 1 52 GLU H 1 53 VAL H . 2.600 4.000 2.965 2.632 3.125 . 0 0 "[ . 1 . 2 ]" 2
404 1 52 GLU QB 1 53 VAL QG 3.500 2.500 4.300 2.898 2.650 3.577 . 0 0 "[ . 1 . 2 ]" 2
405 1 52 GLU QB 1 56 TYR QD 4.500 3.000 5.300 3.565 3.243 3.711 . 0 0 "[ . 1 . 2 ]" 2
406 1 52 GLU QB 1 56 TYR QE 4.000 2.500 4.800 4.896 4.829 4.993 0.193 16 0 "[ . 1 . 2 ]" 2
407 1 53 VAL H 1 53 VAL QG 2.700 . 3.000 1.906 1.791 2.085 0.209 22 0 "[ . 1 . 2 ]" 2
408 1 55 PHE QB 1 55 PHE QD 3.400 2.200 4.000 2.125 2.121 2.142 0.079 21 0 "[ . 1 . 2 ]" 2
409 1 55 PHE QB 1 56 TYR H 3.400 2.200 4.000 3.588 3.310 3.756 . 0 0 "[ . 1 . 2 ]" 2
410 1 55 PHE H 1 55 PHE QD 2.700 . 3.000 2.522 2.002 3.027 0.027 10 0 "[ . 1 . 2 ]" 2
411 1 55 PHE QD 1 56 TYR H 2.700 . 3.000 2.972 2.581 3.038 0.038 4 0 "[ . 1 . 2 ]" 2
412 1 55 PHE QB 1 55 PHE QE 3.400 2.200 4.000 3.924 3.921 3.936 . 0 0 "[ . 1 . 2 ]" 2
413 1 41 VAL QG 1 56 TYR HA 3.400 2.200 4.000 3.501 3.198 3.680 . 0 0 "[ . 1 . 2 ]" 2
414 1 56 TYR HA 1 56 TYR QD 3.400 2.200 4.000 1.981 1.824 2.285 0.376 12 0 "[ . 1 . 2 ]" 2
415 1 56 TYR HA 1 56 TYR QB 3.400 2.200 4.000 2.528 2.519 2.533 . 0 0 "[ . 1 . 2 ]" 2
416 1 56 TYR QB 1 56 TYR QE 4.200 2.200 5.400 3.963 3.953 3.973 . 0 0 "[ . 1 . 2 ]" 2
417 1 56 TYR H 1 56 TYR QB . 2.200 3.000 2.098 2.066 2.148 0.134 5 0 "[ . 1 . 2 ]" 2
418 1 56 TYR QB 1 56 TYR QD 3.400 2.200 4.000 2.215 2.170 2.247 0.030 13 0 "[ . 1 . 2 ]" 2
419 1 55 PHE QD 1 56 TYR QD 3.400 2.200 4.000 3.884 3.572 4.099 0.099 19 0 "[ . 1 . 2 ]" 2
420 1 56 TYR QD 1 59 GLN HG3 2.700 . 3.000 2.679 1.899 3.061 0.101 22 0 "[ . 1 . 2 ]" 2
421 1 56 TYR QD 1 59 GLN HG2 2.700 . 3.000 3.077 2.879 3.123 0.123 11 0 "[ . 1 . 2 ]" 2
422 1 57 LEU HA 1 57 LEU HB3 3.400 2.200 4.000 2.976 2.909 3.019 . 0 0 "[ . 1 . 2 ]" 2
423 1 57 LEU HB3 1 57 LEU MD2 3.400 2.200 4.000 2.772 2.201 3.202 . 0 0 "[ . 1 . 2 ]" 2
424 1 57 LEU H 1 57 LEU HB3 . 2.200 3.000 2.834 2.414 3.114 0.114 20 0 "[ . 1 . 2 ]" 2
425 1 57 LEU HA 1 57 LEU HB2 3.400 2.200 4.000 2.622 2.394 2.785 . 0 0 "[ . 1 . 2 ]" 2
426 1 57 LEU H 1 57 LEU HB2 . 2.200 3.000 2.283 2.083 2.642 0.117 20 0 "[ . 1 . 2 ]" 2
427 1 57 LEU MD1 1 57 LEU HG 2.700 . 3.100 2.125 2.118 2.127 . 0 0 "[ . 1 . 2 ]" 2
428 1 58 GLY QA 1 61 ILE HB . 2.600 4.800 3.385 2.968 4.869 0.069 24 0 "[ . 1 . 2 ]" 2
429 1 58 GLY H 1 58 GLY HA3 . 2.200 3.000 2.298 2.292 2.306 . 0 0 "[ . 1 . 2 ]" 2
430 1 58 GLY HA3 1 59 GLN H 4.200 2.200 5.400 2.816 2.727 2.927 . 0 0 "[ . 1 . 2 ]" 2
431 1 58 GLY QA 1 61 ILE HA 5.000 3.000 5.800 5.606 5.258 5.807 0.007 21 0 "[ . 1 . 2 ]" 2
432 1 58 GLY QA 1 61 ILE MD 3.500 . 4.500 2.315 1.520 4.488 . 0 0 "[ . 1 . 2 ]" 2
433 1 58 GLY QA 1 61 ILE MG 3.700 . 4.500 4.211 4.027 4.437 . 0 0 "[ . 1 . 2 ]" 2
434 1 58 GLY H 1 58 GLY HA2 4.200 2.200 5.400 2.772 2.737 2.812 . 0 0 "[ . 1 . 2 ]" 2
435 1 59 GLN HA 1 59 GLN QB 2.700 . 3.100 2.329 2.173 2.422 . 0 0 "[ . 1 . 2 ]" 2
436 1 59 GLN H 1 59 GLN QB 4.200 2.200 5.400 2.553 2.368 2.729 . 0 0 "[ . 1 . 2 ]" 2
437 1 59 GLN QB 1 60 TYR H 5.100 2.600 6.000 2.311 1.968 3.483 0.632 18 7 "[ * -. * 1 *.* + * ]" 2
438 1 59 GLN HA 1 59 GLN HG3 3.400 2.200 4.000 3.754 3.651 3.893 . 0 0 "[ . 1 . 2 ]" 2
439 1 59 GLN HE21 1 59 GLN HG3 3.400 2.200 4.000 3.050 2.147 3.475 0.053 15 0 "[ . 1 . 2 ]" 2
440 1 59 GLN H 1 59 GLN HG3 3.400 2.200 4.000 3.618 3.283 3.873 . 0 0 "[ . 1 . 2 ]" 2
441 1 59 GLN HA 1 59 GLN HG2 3.400 2.200 4.000 3.299 2.950 3.762 . 0 0 "[ . 1 . 2 ]" 2
442 1 59 GLN HE21 1 59 GLN HG2 . 2.200 3.000 2.508 2.234 3.488 0.488 5 0 "[ . 1 . 2 ]" 2
443 1 59 GLN H 1 59 GLN HG2 . 2.200 3.000 2.144 1.673 2.462 0.527 5 2 "[ - + 1 . 2 ]" 2
444 1 60 TYR HA 1 63 THR HB 3.400 . 4.200 3.159 1.629 4.875 0.675 12 1 "[ . 1 + . 2 ]" 2
445 1 60 TYR HB3 1 60 TYR QE 3.400 . 4.400 4.409 4.382 4.458 0.058 10 0 "[ . 1 . 2 ]" 2
446 1 60 TYR HB2 1 60 TYR QE 3.400 . 4.300 4.417 4.376 4.467 0.167 24 0 "[ . 1 . 2 ]" 2
447 1 60 TYR H 1 60 TYR HB2 4.200 2.200 5.400 2.471 2.358 2.592 . 0 0 "[ . 1 . 2 ]" 2
448 1 60 TYR QD 1 64 LYS QD 3.800 . 4.600 4.665 3.694 5.840 1.240 10 4 "[ *- *+ . 2 ]" 2
449 1 61 ILE HA 1 61 ILE MD 3.400 2.200 4.000 3.627 1.884 4.153 0.316 9 0 "[ . 1 . 2 ]" 2
450 1 61 ILE HA 1 61 ILE HB 5.100 2.600 6.600 2.963 2.559 3.024 0.041 3 0 "[ . 1 . 2 ]" 2
451 1 61 ILE HB 1 61 ILE MD 3.400 2.200 4.000 2.434 2.225 3.191 . 0 0 "[ . 1 . 2 ]" 2
452 1 61 ILE HB 1 61 ILE MG 3.400 2.200 4.000 2.126 2.121 2.128 0.079 21 0 "[ . 1 . 2 ]" 2
453 1 61 ILE H 1 61 ILE HB 3.400 2.200 3.600 2.813 2.608 3.613 0.013 21 0 "[ . 1 . 2 ]" 2
454 1 61 ILE HB 1 62 MET H 4.200 2.200 5.400 2.275 1.914 3.362 0.286 18 0 "[ . 1 . 2 ]" 2
455 1 61 ILE HB 1 75 VAL QG 4.200 . 5.200 3.590 2.194 4.023 . 0 0 "[ . 1 . 2 ]" 2
456 1 60 TYR H 1 61 ILE MD 4.200 2.200 5.400 4.851 4.051 5.251 . 0 0 "[ . 1 . 2 ]" 2
457 1 61 ILE MD 1 62 MET ME 5.100 2.600 6.600 5.437 3.774 6.695 0.095 19 0 "[ . 1 . 2 ]" 2
458 1 61 ILE MD 1 82 LEU QD 4.200 2.200 5.400 3.211 2.146 5.159 0.054 23 0 "[ . 1 . 2 ]" 2
459 1 61 ILE MD 1 91 PHE QD 3.400 2.200 4.000 4.081 3.870 4.308 0.308 21 0 "[ . 1 . 2 ]" 2
460 1 61 ILE MD 1 91 PHE QE 3.400 2.200 4.000 2.044 1.821 2.574 0.379 17 0 "[ . 1 . 2 ]" 2
461 1 61 ILE MD 1 61 ILE QG 3.400 2.200 4.000 1.884 1.880 1.888 0.320 12 0 "[ . 1 . 2 ]" 2
462 1 61 ILE H 1 61 ILE MG 3.400 2.200 4.000 3.619 2.509 3.779 . 0 0 "[ . 1 . 2 ]" 2
463 1 61 ILE MG 1 62 MET ME 5.100 2.600 6.600 5.229 3.306 7.213 0.613 21 1 "[ . 1 . 2+ ]" 2
464 1 61 ILE MG 1 91 PHE QD 3.400 2.200 4.000 4.168 4.068 4.279 0.279 6 0 "[ . 1 . 2 ]" 2
465 1 61 ILE MG 1 67 TYR HB3 3.800 . 4.400 3.207 2.515 4.542 0.142 6 0 "[ . 1 . 2 ]" 2
466 1 61 ILE MG 1 67 TYR HB2 3.400 . 4.000 4.080 3.530 4.578 0.578 21 2 "[ . 1 . 2+ -]" 2
467 1 62 MET QB 1 63 THR HA 4.500 2.500 5.500 4.160 3.630 4.768 . 0 0 "[ . 1 . 2 ]" 2
468 1 62 MET ME 1 63 THR MG 5.100 2.600 6.600 5.895 3.726 7.221 0.621 18 2 "[ . 1- . + 2 ]" 2
469 1 62 MET QG 1 63 THR MG 5.100 2.600 6.600 5.034 2.177 6.580 0.423 21 0 "[ . 1 . 2 ]" 2
470 1 63 THR HA 1 63 THR MG 2.700 . 3.100 2.547 2.311 3.198 0.098 17 0 "[ . 1 . 2 ]" 2
471 1 63 THR HA 1 64 LYS QG 4.200 . 4.800 4.603 4.048 5.117 0.317 4 0 "[ . 1 . 2 ]" 2
472 1 63 THR HB 1 63 THR MG 2.700 . 3.100 2.134 2.133 2.136 . 0 0 "[ . 1 . 2 ]" 2
473 1 63 THR HB 1 64 LYS QG 4.200 . 4.800 3.256 2.590 4.598 . 0 0 "[ . 1 . 2 ]" 2
474 1 63 THR H 1 63 THR MG 3.400 2.200 4.000 3.100 2.069 3.977 0.131 20 0 "[ . 1 . 2 ]" 2
475 1 63 THR MG 1 64 LYS H 4.200 2.200 5.400 2.819 1.710 3.863 0.490 23 0 "[ . 1 . 2 ]" 2
476 1 63 THR MG 1 65 ARG H 5.100 2.600 6.600 4.503 3.868 5.885 . 0 0 "[ . 1 . 2 ]" 2
477 1 64 LYS HA 1 64 LYS HD3 3.400 2.200 4.000 2.734 2.018 3.740 0.182 4 0 "[ . 1 . 2 ]" 2
478 1 64 LYS HA 1 64 LYS HD2 3.400 2.200 4.000 2.949 1.988 4.009 0.212 18 0 "[ . 1 . 2 ]" 2
479 1 64 LYS HA 1 64 LYS HB3 3.400 2.200 4.000 2.469 2.402 2.581 . 0 0 "[ . 1 . 2 ]" 2
480 1 64 LYS HB3 1 64 LYS QE 3.400 2.200 4.000 3.324 1.926 4.138 0.274 20 0 "[ . 1 . 2 ]" 2
481 1 64 LYS HB3 1 64 LYS QG 3.400 2.200 4.000 2.378 2.352 2.439 . 0 0 "[ . 1 . 2 ]" 2
482 1 64 LYS H 1 64 LYS HB3 4.200 2.200 5.400 3.842 3.597 4.083 . 0 0 "[ . 1 . 2 ]" 2
483 1 64 LYS HB3 1 66 LEU MD2 3.400 2.200 4.000 3.098 2.313 4.645 0.645 14 2 "[ . -1 +. 2 ]" 2
484 1 64 LYS HA 1 64 LYS HB2 4.200 2.200 5.400 3.021 3.010 3.028 . 0 0 "[ . 1 . 2 ]" 2
485 1 64 LYS HB2 1 64 LYS QG 3.400 2.200 4.000 2.163 2.150 2.168 0.050 15 0 "[ . 1 . 2 ]" 2
486 1 64 LYS H 1 64 LYS HB2 4.200 2.200 5.400 3.025 2.408 3.684 . 0 0 "[ . 1 . 2 ]" 2
487 1 64 LYS HD3 1 64 LYS QE 3.400 2.200 4.000 2.309 2.169 2.351 0.031 10 0 "[ . 1 . 2 ]" 2
488 1 64 LYS HD2 1 64 LYS QE 3.400 2.200 4.000 2.298 2.172 2.382 0.028 1 0 "[ . 1 . 2 ]" 2
489 1 64 LYS HA 1 64 LYS HG3 3.400 2.200 4.000 3.777 3.703 3.844 . 0 0 "[ . 1 . 2 ]" 2
490 1 64 LYS HA 1 64 LYS HG2 2.700 . 3.100 2.993 2.623 3.129 0.029 2 0 "[ . 1 . 2 ]" 2
491 1 64 LYS H 1 64 LYS HG2 3.400 2.200 4.000 2.641 2.224 3.103 . 0 0 "[ . 1 . 2 ]" 2
492 1 64 LYS QD 1 66 LEU QD 3.800 . 4.600 4.279 3.559 4.710 0.110 16 0 "[ . 1 . 2 ]" 2
493 1 64 LYS H 1 64 LYS HD2 5.100 2.600 6.600 4.421 3.160 5.224 . 0 0 "[ . 1 . 2 ]" 2
494 1 65 ARG HA 1 66 LEU MD1 4.500 . 5.500 5.341 4.046 5.698 0.198 11 0 "[ . 1 . 2 ]" 2
495 1 65 ARG HA 1 66 LEU MD2 4.500 . 5.500 4.704 3.739 5.661 0.161 7 0 "[ . 1 . 2 ]" 2
496 1 66 LEU HA 1 66 LEU MD2 2.700 . 3.100 2.696 2.197 3.803 0.703 9 3 "[ . - +1 . 2 * ]" 2
497 1 66 LEU HB3 1 66 LEU MD2 2.700 . 3.100 2.802 2.200 3.199 0.099 12 0 "[ . 1 . 2 ]" 2
498 1 66 LEU H 1 66 LEU HB3 . 2.600 4.000 3.625 3.384 4.138 0.138 16 0 "[ . 1 . 2 ]" 2
499 1 66 LEU HB3 1 75 VAL QG 3.400 2.200 4.000 2.374 1.801 3.092 0.399 9 0 "[ . 1 . 2 ]" 2
500 1 66 LEU HA 1 66 LEU HB2 4.200 2.200 5.400 2.982 2.923 3.017 . 0 0 "[ . 1 . 2 ]" 2
501 1 66 LEU H 1 66 LEU HB2 . 2.200 4.000 2.536 2.198 3.515 0.002 19 0 "[ . 1 . 2 ]" 2
502 1 66 LEU H 1 66 LEU MD2 3.400 2.200 4.000 3.170 2.386 4.106 0.106 7 0 "[ . 1 . 2 ]" 2
503 1 66 LEU MD2 1 80 ASP QB 3.200 . 3.800 2.839 1.790 3.736 . 0 0 "[ . 1 . 2 ]" 2
504 1 66 LEU MD1 1 80 ASP QB 3.200 . 3.800 2.305 1.800 3.469 . 0 0 "[ . 1 . 2 ]" 2
505 1 66 LEU MD2 1 80 ASP HA 3.500 . 4.100 4.183 4.066 4.266 0.166 21 0 "[ . 1 . 2 ]" 2
506 1 66 LEU MD1 1 80 ASP HA 3.500 . 4.100 4.144 3.996 4.298 0.198 9 0 "[ . 1 . 2 ]" 2
507 1 66 LEU H 1 67 TYR QD 2.700 . 3.000 2.865 2.305 3.133 0.133 16 0 "[ . 1 . 2 ]" 2
508 1 66 LEU H 1 67 TYR QE 4.200 2.200 5.400 4.355 3.486 5.071 . 0 0 "[ . 1 . 2 ]" 2
509 1 67 TYR HA 1 67 TYR HB3 4.200 2.200 5.400 2.507 2.418 2.809 . 0 0 "[ . 1 . 2 ]" 2
510 1 67 TYR HA 1 67 TYR HB2 4.200 2.200 5.400 2.428 2.338 2.871 . 0 0 "[ . 1 . 2 ]" 2
511 1 67 TYR HA 1 67 TYR QD 4.200 2.200 5.400 3.684 2.747 3.742 . 0 0 "[ . 1 . 2 ]" 2
512 1 67 TYR HA 1 68 ASP QB 4.500 2.300 5.500 4.278 4.101 4.435 . 0 0 "[ . 1 . 2 ]" 2
513 1 67 TYR HA 1 72 GLN HA 3.500 . 4.500 4.577 4.516 4.702 0.202 16 0 "[ . 1 . 2 ]" 2
514 1 67 TYR HA 1 75 VAL HA 2.500 . 3.300 1.757 1.413 2.501 . 0 0 "[ . 1 . 2 ]" 2
515 1 67 TYR HA 1 75 VAL QG 3.500 . 4.300 2.211 1.842 2.981 . 0 0 "[ . 1 . 2 ]" 2
516 1 67 TYR HB3 1 67 TYR QD 3.400 2.200 4.000 2.493 2.262 2.657 . 0 0 "[ . 1 . 2 ]" 2
517 1 67 TYR H 1 67 TYR HB3 5.100 2.600 6.600 2.734 2.375 4.026 0.225 16 0 "[ . 1 . 2 ]" 2
518 1 67 TYR QB 1 69 GLU HA 4.500 2.500 5.700 5.051 3.517 5.648 . 0 0 "[ . 1 . 2 ]" 2
519 1 67 TYR QB 1 72 GLN HA 3.500 . 4.300 2.520 2.170 4.386 0.086 6 0 "[ . 1 . 2 ]" 2
520 1 67 TYR HB3 1 75 VAL QG 4.200 2.200 5.200 3.109 2.300 4.450 . 0 0 "[ . 1 . 2 ]" 2
521 1 67 TYR HB2 1 75 VAL QG 4.200 2.600 5.200 3.450 2.990 4.118 . 0 0 "[ . 1 . 2 ]" 2
522 1 67 TYR HB3 1 75 VAL HA 3.800 . 5.900 4.053 3.278 4.604 . 0 0 "[ . 1 . 2 ]" 2
523 1 67 TYR HB2 1 75 VAL HA 3.800 . 4.600 3.747 3.267 4.753 0.153 6 0 "[ . 1 . 2 ]" 2
524 1 67 TYR HB2 1 67 TYR QD 3.400 2.200 4.000 2.335 2.262 2.605 . 0 0 "[ . 1 . 2 ]" 2
525 1 67 TYR H 1 67 TYR HB2 5.100 2.600 6.600 3.659 3.117 4.122 . 0 0 "[ . 1 . 2 ]" 2
526 1 67 TYR QD 1 69 GLU HA 3.500 . 4.300 3.251 2.548 3.970 . 0 0 "[ . 1 . 2 ]" 2
527 1 67 TYR QD 1 72 GLN HA 3.200 . 3.800 1.911 1.670 2.932 . 0 0 "[ . 1 . 2 ]" 2
528 1 67 TYR QD 1 72 GLN QB 4.200 2.200 5.400 3.060 2.578 3.700 . 0 0 "[ . 1 . 2 ]" 2
529 1 67 TYR QD 1 72 GLN HB3 4.200 2.200 5.400 3.149 2.619 3.805 . 0 0 "[ . 1 . 2 ]" 2
530 1 67 TYR QD 1 72 GLN QG 4.200 2.200 5.400 2.277 1.881 2.768 0.319 16 0 "[ . 1 . 2 ]" 2
531 1 67 TYR QD 1 75 VAL HA 4.200 . 5.400 4.963 4.714 5.378 . 0 0 "[ . 1 . 2 ]" 2
532 1 67 TYR QE 1 69 GLU HA 3.500 . 4.100 2.373 1.643 4.184 0.084 6 0 "[ . 1 . 2 ]" 2
533 1 67 TYR QE 1 72 GLN HA 3.200 . 3.800 3.827 3.038 3.917 0.117 16 0 "[ . 1 . 2 ]" 2
534 1 67 TYR H 1 67 TYR QD 4.200 2.200 5.400 2.133 1.489 3.705 0.711 4 2 "[ +. 1 . 2 - ]" 2
535 1 68 ASP HA 1 69 GLU HA 4.500 . 5.100 4.884 4.333 5.331 0.231 12 0 "[ . 1 . 2 ]" 2
536 1 68 ASP HA 1 76 TYR QD 2.700 . 3.000 3.070 2.863 3.130 0.130 10 0 "[ . 1 . 2 ]" 2
537 1 68 ASP HA 1 76 TYR QE 3.400 2.200 4.000 2.718 2.011 3.829 0.189 1 0 "[ . 1 . 2 ]" 2
538 1 68 ASP HA 1 68 ASP QB 3.400 2.200 4.000 2.330 2.192 2.519 0.008 1 0 "[ . 1 . 2 ]" 2
539 1 68 ASP H 1 68 ASP QB 3.400 2.200 4.000 2.274 2.081 2.853 0.119 12 0 "[ . 1 . 2 ]" 2
540 1 68 ASP QB 1 72 GLN HA 3.800 . 4.800 3.356 2.642 4.308 . 0 0 "[ . 1 . 2 ]" 2
541 1 68 ASP QB 1 74 ILE HB 4.200 2.200 5.400 1.842 1.394 2.774 0.806 20 9 "[ **.* * * .* -*+ ]" 2
542 1 68 ASP QB 1 74 ILE MG 5.100 2.600 6.600 3.147 2.602 4.026 . 0 0 "[ . 1 . 2 ]" 2
543 1 69 GLU HA 1 72 GLN QG 3.200 . 3.800 3.791 3.135 3.981 0.181 16 0 "[ . 1 . 2 ]" 2
544 1 70 LYS HA 1 70 LYS HG3 3.400 2.200 4.000 3.425 3.079 4.225 0.225 7 0 "[ . 1 . 2 ]" 2
545 1 70 LYS HA 1 70 LYS HG2 3.400 2.200 4.000 2.944 2.516 3.744 . 0 0 "[ . 1 . 2 ]" 2
546 1 72 GLN HA 1 72 GLN HB3 3.400 2.200 4.000 2.440 2.381 2.548 . 0 0 "[ . 1 . 2 ]" 2
547 1 72 GLN H 1 72 GLN HB3 4.200 2.200 5.400 3.836 3.577 4.100 . 0 0 "[ . 1 . 2 ]" 2
548 1 72 GLN HB3 1 73 HIS H 5.100 2.600 6.600 4.181 2.504 4.514 0.096 12 0 "[ . 1 . 2 ]" 2
549 1 73 HIS HA 1 93 VAL QG 3.400 2.200 4.000 1.801 1.608 2.067 0.592 4 4 "[ +. 1 -*. 2 * ]" 2
550 1 73 HIS QB 1 94 LYS QE 4.500 2.400 5.500 3.963 2.380 5.492 0.020 17 0 "[ . 1 . 2 ]" 2
551 1 73 HIS QB 1 74 ILE MD 5.100 2.600 6.600 3.354 2.746 3.667 . 0 0 "[ . 1 . 2 ]" 2
552 1 73 HIS QB 1 74 ILE MG 4.200 2.200 5.400 5.356 4.786 5.680 0.280 20 0 "[ . 1 . 2 ]" 2
553 1 73 HIS QB 1 93 VAL HB 5.100 2.600 6.600 4.994 4.316 5.793 . 0 0 "[ . 1 . 2 ]" 2
554 1 73 HIS QB 1 94 LYS QG 4.100 . 4.300 3.269 1.673 4.119 0.327 17 0 "[ . 1 . 2 ]" 2
555 1 73 HIS H 1 73 HIS QB 5.100 2.600 6.000 2.651 2.334 3.415 0.266 2 0 "[ . 1 . 2 ]" 2
556 1 73 HIS H 1 93 VAL QG 3.400 . 4.200 4.128 3.832 4.276 0.076 1 0 "[ . 1 . 2 ]" 2
557 1 73 HIS H 1 74 ILE MD 5.100 2.600 6.600 4.625 4.014 5.032 . 0 0 "[ . 1 . 2 ]" 2
558 1 74 ILE HB 1 74 ILE MD 3.400 2.200 4.000 3.234 3.227 3.237 . 0 0 "[ . 1 . 2 ]" 2
559 1 74 ILE HB 1 74 ILE QG 4.200 2.200 5.400 2.186 2.183 2.188 0.017 12 0 "[ . 1 . 2 ]" 2
560 1 74 ILE H 1 74 ILE HB . 2.200 3.000 2.739 2.600 2.866 . 0 0 "[ . 1 . 2 ]" 2
561 1 74 ILE MD 1 74 ILE MG 2.700 . 3.100 2.000 1.961 2.046 0.039 9 0 "[ . 1 . 2 ]" 2
562 1 74 ILE MD 1 75 VAL H . 2.200 4.000 3.934 3.710 4.114 0.114 12 0 "[ . 1 . 2 ]" 2
563 1 74 ILE MD 1 76 TYR QD 4.200 2.200 5.400 5.708 5.364 5.997 0.597 12 1 "[ . 1 + . 2 ]" 2
564 1 74 ILE MD 1 76 TYR QE 5.100 2.600 5.400 4.606 4.440 4.992 . 0 0 "[ . 1 . 2 ]" 2
565 1 74 ILE MD 1 93 VAL QG 5.100 2.600 6.600 4.537 3.980 5.050 . 0 0 "[ . 1 . 2 ]" 2
566 1 74 ILE MD 1 93 VAL H 5.100 2.600 6.600 4.517 3.878 5.609 . 0 0 "[ . 1 . 2 ]" 2
567 1 74 ILE MD 1 74 ILE QG 3.400 2.200 4.000 1.888 1.887 1.889 0.313 24 0 "[ . 1 . 2 ]" 2
568 1 74 ILE HB 1 74 ILE MG 3.400 2.200 4.000 2.127 2.125 2.130 0.075 24 0 "[ . 1 . 2 ]" 2
569 1 74 ILE QG 1 74 ILE MG 3.400 2.200 4.000 2.280 2.258 2.304 . 0 0 "[ . 1 . 2 ]" 2
570 1 74 ILE MG 1 75 VAL H 3.400 2.200 4.000 2.647 1.596 3.653 0.604 16 2 "[ .- 1 .+ 2 ]" 2
571 1 74 ILE MG 1 76 TYR QD 4.200 2.200 5.400 2.956 2.312 3.563 . 0 0 "[ . 1 . 2 ]" 2
572 1 74 ILE H 1 74 ILE MD 3.800 . 4.000 3.145 2.749 3.537 . 0 0 "[ . 1 . 2 ]" 2
573 1 74 ILE H 1 74 ILE MG 4.200 2.200 5.400 3.848 3.776 3.926 . 0 0 "[ . 1 . 2 ]" 2
574 1 75 VAL HA 1 75 VAL HB 5.100 2.600 6.600 2.738 2.271 3.016 0.329 20 0 "[ . 1 . 2 ]" 2
575 1 75 VAL HA 1 75 VAL QG 3.400 2.200 4.000 2.245 2.099 2.524 0.101 18 0 "[ . 1 . 2 ]" 2
576 1 74 ILE HA 1 75 VAL HB 5.100 2.600 6.600 4.857 4.553 5.178 . 0 0 "[ . 1 . 2 ]" 2
577 1 75 VAL H 1 75 VAL HB . 2.200 4.000 3.055 2.658 3.746 . 0 0 "[ . 1 . 2 ]" 2
578 1 75 VAL HB 1 91 PHE QD 5.100 2.600 6.600 3.789 2.376 5.668 0.224 6 0 "[ . 1 . 2 ]" 2
579 1 75 VAL MG1 1 75 VAL MG2 2.700 . 3.100 2.095 2.089 2.098 . 0 0 "[ . 1 . 2 ]" 2
580 1 75 VAL H 1 75 VAL QG 3.400 2.200 4.000 2.196 1.681 2.756 0.519 1 1 "[+ . 1 . 2 ]" 2
581 1 75 VAL QG 1 91 PHE QD 3.400 2.200 4.000 2.866 2.651 3.036 . 0 0 "[ . 1 . 2 ]" 2
582 1 76 TYR HB3 1 76 TYR QD 3.400 2.200 4.000 2.633 2.326 2.772 . 0 0 "[ . 1 . 2 ]" 2
583 1 76 TYR H 1 76 TYR HB3 3.400 2.200 4.000 3.584 3.562 3.624 . 0 0 "[ . 1 . 2 ]" 2
584 1 76 TYR HB2 1 76 TYR QD 3.400 2.200 4.000 2.366 2.260 2.767 . 0 0 "[ . 1 . 2 ]" 2
585 1 76 TYR H 1 76 TYR HB2 3.400 2.200 4.000 2.648 2.386 2.761 . 0 0 "[ . 1 . 2 ]" 2
586 1 76 TYR QB 1 90 SER HA 4.200 . 4.800 4.264 3.589 4.577 . 0 0 "[ . 1 . 2 ]" 2
587 1 76 TYR H 1 76 TYR QD 3.400 2.200 4.000 2.695 1.790 2.992 0.410 10 0 "[ . 1 . 2 ]" 2
588 1 74 ILE QG 1 76 TYR QE 3.400 2.200 4.000 4.094 3.615 4.224 0.224 12 0 "[ . 1 . 2 ]" 2
589 1 74 ILE MG 1 76 TYR QE 4.200 2.200 5.400 2.056 1.695 2.711 0.505 17 1 "[ . 1 . + 2 ]" 2
590 1 76 TYR HB3 1 76 TYR QE 3.400 . 5.000 4.478 4.396 4.515 . 0 0 "[ . 1 . 2 ]" 2
591 1 76 TYR HB2 1 76 TYR QE 3.400 . 5.000 4.406 4.367 4.508 . 0 0 "[ . 1 . 2 ]" 2
592 1 76 TYR H 1 76 TYR QE 2.700 . 4.000 4.127 4.082 4.187 0.187 4 0 "[ . 1 . 2 ]" 2
593 1 77 CYS HB3 1 82 LEU QB 3.200 . 3.800 3.219 2.552 4.486 0.686 9 2 "[ .- +1 . 2 ]" 2
594 1 8 VAL MG1 1 9 PRO HD3 4.200 2.200 5.400 4.117 3.231 4.721 . 0 0 "[ . 1 . 2 ]" 2
595 1 8 VAL MG1 1 9 PRO HD2 3.400 2.200 4.000 3.525 2.105 4.905 0.905 3 2 "[ -+ . 1 . 2 ]" 2
596 1 80 ASP H 1 80 ASP QB 3.400 2.200 4.000 2.729 2.282 3.374 . 0 0 "[ . 1 . 2 ]" 2
597 1 80 ASP QB 1 82 LEU QB 4.200 . 5.200 2.945 2.271 4.330 . 0 0 "[ . 1 . 2 ]" 2
598 1 82 LEU HA 1 85 LEU QB 5.100 2.600 5.400 3.191 2.348 5.446 0.252 10 0 "[ . 1 . 2 ]" 2
599 1 82 LEU HA 1 85 LEU QD . 2.600 4.000 2.710 2.072 4.200 0.528 9 2 "[ . +1 . - 2 ]" 2
600 1 82 LEU HA 1 85 LEU HG 4.200 2.200 5.400 2.631 1.389 6.039 0.811 11 5 "[ * -1+ * . * ]" 2
601 1 82 LEU QB 1 82 LEU QD 3.400 2.200 4.000 2.022 1.927 2.062 0.273 7 0 "[ . 1 . 2 ]" 2
602 1 82 LEU H 1 82 LEU QB . 2.200 4.000 2.163 2.044 2.781 0.156 7 0 "[ . 1 . 2 ]" 2
603 1 82 LEU QB 1 83 GLY H . 2.600 4.000 2.899 2.499 3.872 0.101 3 0 "[ . 1 . 2 ]" 2
604 1 82 LEU QB 1 91 PHE QE 2.700 2.600 3.000 2.737 1.847 3.098 0.753 20 1 "[ . 1 . + ]" 2
605 1 82 LEU HA 1 82 LEU QD 4.200 2.200 5.400 1.944 1.710 3.099 0.490 21 0 "[ . 1 . 2 ]" 2
606 1 82 LEU QD 1 91 PHE QE . 2.600 3.000 2.387 1.696 3.002 0.904 9 6 "[ - * +1 **. *2 ]" 2
607 1 82 LEU MD1 1 82 LEU MD2 2.700 . 3.100 2.088 2.074 2.101 . 0 0 "[ . 1 . 2 ]" 2
608 1 82 LEU H 1 82 LEU QD 5.100 2.600 6.600 3.245 2.275 3.758 0.325 11 0 "[ . 1 . 2 ]" 2
609 1 82 LEU QD 1 85 LEU HA 4.000 . 4.900 4.660 4.113 5.040 0.140 14 0 "[ . 1 . 2 ]" 2
610 1 82 LEU QD 1 85 LEU QB 3.400 2.200 4.000 2.444 1.640 3.418 0.560 24 1 "[ . 1 . 2 +]" 2
611 1 82 LEU QD 1 85 LEU QD 3.400 2.200 4.000 1.894 1.395 2.786 0.805 14 9 "[* *. * 1 * +.** *2 - ]" 2
612 1 82 LEU QD 1 85 LEU HG 5.100 2.600 6.600 2.473 1.541 3.388 1.059 21 8 "[ ** * ** * . - 2+ ]" 2
613 1 83 GLY H 1 83 GLY QA . 2.200 3.000 2.205 2.190 2.309 0.010 3 0 "[ . 1 . 2 ]" 2
614 1 83 GLY QA 1 86 PHE QB 4.200 . 5.000 4.180 3.468 5.182 0.182 18 0 "[ . 1 . 2 ]" 2
615 1 83 GLY QA 1 88 VAL QG 5.000 . 6.000 4.314 3.469 6.140 0.140 18 0 "[ . 1 . 2 ]" 2
616 1 84 ASP HA 1 84 ASP HB3 3.400 2.200 4.000 2.441 2.350 2.506 . 0 0 "[ . 1 . 2 ]" 2
617 1 84 ASP H 1 84 ASP HB3 3.400 2.200 4.000 3.645 3.587 4.129 0.129 18 0 "[ . 1 . 2 ]" 2
618 1 84 ASP HB3 1 85 LEU QD 5.100 2.600 6.600 4.294 3.223 6.059 . 0 0 "[ . 1 . 2 ]" 2
619 1 84 ASP HB3 1 85 LEU H 4.200 2.200 5.400 3.937 3.788 4.428 . 0 0 "[ . 1 . 2 ]" 2
620 1 84 ASP H 1 84 ASP HB2 3.400 2.200 4.000 2.716 2.459 3.640 . 0 0 "[ . 1 . 2 ]" 2
621 1 84 ASP HB2 1 85 LEU HA 4.500 . 6.300 4.310 3.918 4.564 . 0 0 "[ . 1 . 2 ]" 2
622 1 84 ASP HB2 1 85 LEU QD 4.200 2.200 5.400 3.488 2.273 5.274 . 0 0 "[ . 1 . 2 ]" 2
623 1 84 ASP HB2 1 85 LEU H . 2.200 3.500 2.910 2.580 3.889 0.389 20 0 "[ . 1 . 2 ]" 2
624 1 84 ASP H 1 85 LEU QB 5.100 2.600 6.600 4.654 3.831 4.845 . 0 0 "[ . 1 . 2 ]" 2
625 1 85 LEU HA 1 85 LEU HG 3.400 2.200 4.000 3.391 2.962 3.757 . 0 0 "[ . 1 . 2 ]" 2
626 1 85 LEU QB 1 86 PHE H 4.200 2.200 5.400 2.086 1.823 3.523 0.377 22 0 "[ . 1 . 2 ]" 2
627 1 85 LEU QB 1 86 PHE QE 5.100 2.600 6.600 3.300 2.646 6.635 0.035 3 0 "[ . 1 . 2 ]" 2
628 1 85 LEU QD 1 86 PHE H 5.100 2.600 6.600 3.631 2.979 3.808 . 0 0 "[ . 1 . 2 ]" 2
629 1 85 LEU QD 1 86 PHE HA 4.200 2.200 5.200 4.760 3.247 5.234 0.034 9 0 "[ . 1 . 2 ]" 2
630 1 85 LEU H 1 85 LEU HG 2.700 2.200 3.100 2.698 2.101 3.187 0.099 9 0 "[ . 1 . 2 ]" 2
631 1 85 LEU HG 1 86 PHE H 3.400 2.200 4.000 3.891 2.002 4.206 0.206 7 0 "[ . 1 . 2 ]" 2
632 1 85 LEU H 1 85 LEU QB 3.400 2.200 4.000 2.400 2.198 2.570 0.002 18 0 "[ . 1 . 2 ]" 2
633 1 85 LEU H 1 85 LEU QD 4.200 2.200 5.400 2.698 1.736 3.342 0.464 11 0 "[ . 1 . 2 ]" 2
634 1 86 PHE QB 1 88 VAL QG 3.000 . 3.600 1.801 1.449 2.693 . 0 0 "[ . 1 . 2 ]" 2
635 1 86 PHE QB 1 102 MET ME 5.100 2.100 7.200 4.294 3.702 5.190 . 0 0 "[ . 1 . 2 ]" 2
636 1 86 PHE QD 1 103 ILE QG 5.100 2.600 6.600 3.989 2.969 4.781 . 0 0 "[ . 1 . 2 ]" 2
637 1 86 PHE QE 1 102 MET ME 2.700 . 3.000 1.825 1.397 2.563 0.603 4 4 "[ +. * 1 .- 2* ]" 2
638 1 86 PHE QE 1 99 ILE HA 2.700 . 3.000 3.118 2.731 3.236 0.236 1 0 "[ . 1 . 2 ]" 2
639 1 86 PHE QE 1 99 ILE QG 2.700 . 3.000 3.011 2.480 3.238 0.238 6 0 "[ . 1 . 2 ]" 2
640 1 86 PHE HZ 1 103 ILE MD 4.200 2.200 5.400 2.953 2.133 4.144 0.067 14 0 "[ . 1 . 2 ]" 2
641 1 86 PHE HZ 1 99 ILE QG 4.200 2.600 5.400 3.968 2.882 4.918 . 0 0 "[ . 1 . 2 ]" 2
642 1 87 GLY H 1 87 GLY QA 3.400 2.200 4.000 2.301 2.190 2.435 0.010 18 0 "[ . 1 . 2 ]" 2
643 1 88 VAL HB 1 89 PRO QD 3.400 2.200 4.000 2.685 2.062 3.742 0.138 8 0 "[ . 1 . 2 ]" 2
644 1 88 VAL HB 1 89 PRO QG 4.000 . 4.600 4.036 3.548 5.359 0.759 6 1 "[ .+ 1 . 2 ]" 2
645 1 88 VAL QG 1 89 PRO QG 3.800 . 4.600 3.546 2.077 4.230 . 0 0 "[ . 1 . 2 ]" 2
646 1 88 VAL QG 1 89 PRO QD 3.600 . 4.400 2.551 1.589 3.038 0.011 19 0 "[ . 1 . 2 ]" 2
647 1 86 PHE H 1 88 VAL QG 5.100 2.600 6.600 4.091 3.363 4.648 . 0 0 "[ . 1 . 2 ]" 2
648 1 87 GLY HA3 1 88 VAL QG 4.200 2.200 5.400 4.157 3.893 4.966 . 0 0 "[ . 1 . 2 ]" 2
649 1 87 GLY H 1 88 VAL QG 5.100 2.600 6.000 3.202 2.744 4.081 . 0 0 "[ . 1 . 2 ]" 2
650 1 88 VAL HB 1 88 VAL QG 3.400 2.200 4.000 1.893 1.881 1.896 0.319 6 0 "[ . 1 . 2 ]" 2
651 1 88 VAL H 1 88 VAL QG 3.400 2.200 3.400 1.823 1.599 2.492 0.601 22 6 "[ . * 1 * . * *2-+ ]" 2
652 1 88 VAL QG 1 90 SER H 3.400 2.200 4.000 2.302 1.405 3.073 0.795 6 4 "[ .+* 1 . -* 2 ]" 2
653 1 88 VAL QG 1 91 PHE HB2 3.400 2.200 4.000 3.259 2.935 3.865 . 0 0 "[ . 1 . 2 ]" 2
654 1 88 VAL QG 1 91 PHE HB3 3.400 2.200 4.000 1.974 1.453 2.936 0.747 1 10 "[+ ** * ** -.* 2 **]" 2
655 1 88 VAL QG 1 91 PHE QD 3.400 2.200 4.000 2.534 1.568 3.956 0.632 20 1 "[ . 1 . + ]" 2
656 1 89 PRO QG 1 90 SER HA 4.500 . 5.300 4.792 4.502 5.083 . 0 0 "[ . 1 . 2 ]" 2
657 1 91 PHE HB2 1 102 MET ME 5.100 2.600 6.600 2.799 2.029 3.468 0.571 2 1 "[ + . 1 . 2 ]" 2
658 1 91 PHE HB2 1 91 PHE QD . 2.200 4.000 2.415 2.330 2.490 . 0 0 "[ . 1 . 2 ]" 2
659 1 91 PHE HB2 1 92 SER H . 2.600 3.000 2.631 2.279 2.881 0.321 16 0 "[ . 1 . 2 ]" 2
660 1 91 PHE HB3 1 102 MET ME 3.400 2.600 4.000 3.675 3.014 4.086 0.086 20 0 "[ . 1 . 2 ]" 2
661 1 91 PHE HB3 1 91 PHE QD 3.400 2.200 4.000 2.365 2.304 2.442 . 0 0 "[ . 1 . 2 ]" 2
662 1 91 PHE HB3 1 92 SER H . 2.200 4.000 3.928 3.729 4.056 0.056 6 0 "[ . 1 . 2 ]" 2
663 1 91 PHE H 1 91 PHE QD 2.700 . 3.000 2.960 2.710 3.083 0.083 10 0 "[ . 1 . 2 ]" 2
664 1 91 PHE QD 1 93 VAL HB 5.100 2.600 6.600 4.657 2.995 5.984 . 0 0 "[ . 1 . 2 ]" 2
665 1 91 PHE QD 1 99 ILE MD 3.400 2.200 4.000 2.503 1.747 3.605 0.453 22 0 "[ . 1 . 2 ]" 2
666 1 91 PHE QD 1 99 ILE QG 2.700 2.600 3.000 2.083 1.687 2.983 0.913 20 16 "[*** *** *** **.* -*+* ]" 2
667 1 91 PHE QD 1 99 ILE MG 3.400 2.200 4.000 3.872 2.578 4.152 0.152 19 0 "[ . 1 . 2 ]" 2
668 1 91 PHE QE 1 93 VAL QG 4.200 2.200 5.400 2.361 1.426 3.647 0.774 3 6 "[ +*.* 1 - 2 **]" 2
669 1 91 PHE QE 1 99 ILE MD 3.400 2.200 4.000 2.861 2.153 3.996 0.047 19 0 "[ . 1 . 2 ]" 2
670 1 91 PHE QE 1 99 ILE MG 3.400 2.200 4.000 4.013 2.436 4.221 0.221 4 0 "[ . 1 . 2 ]" 2
671 1 92 SER QB 1 95 GLU QG 5.100 3.000 6.100 2.405 1.917 2.719 1.083 22 15 "[***** **1* *.****2 +- ]" 2
672 1 93 VAL HA 1 93 VAL QG 2.700 2.200 3.100 2.196 2.100 2.329 0.100 17 0 "[ . 1 . 2 ]" 2
673 1 93 VAL HA 1 96 HIS QB 4.500 . 5.500 5.437 4.835 5.632 0.132 7 0 "[ . 1 . 2 ]" 2
674 1 93 VAL H 1 93 VAL HB 5.100 2.600 6.600 3.130 2.397 3.792 0.203 12 0 "[ . 1 . 2 ]" 2
675 1 93 VAL HB 1 99 ILE MD 4.200 2.200 5.400 4.765 3.608 5.862 0.462 20 0 "[ . 1 . 2 ]" 2
676 1 93 VAL QG 1 94 LYS H 4.200 2.600 5.400 2.460 1.610 3.217 0.990 20 2 "[ - . 1 . + ]" 2
677 1 93 VAL QG 1 95 GLU H 5.100 2.600 6.600 4.242 3.703 4.851 . 0 0 "[ . 1 . 2 ]" 2
678 1 93 VAL QG 1 99 ILE MG 3.500 . 4.700 3.024 2.612 3.621 . 0 0 "[ . 1 . 2 ]" 2
679 1 93 VAL H 1 93 VAL QG 3.400 2.200 4.000 1.968 1.606 3.276 0.594 20 10 "[ * .* 1 * *- *+* **]" 2
680 1 94 LYS HA 1 95 GLU H 2.700 . 3.700 3.476 3.143 3.569 . 0 0 "[ . 1 . 2 ]" 2
681 1 94 LYS QG 1 95 GLU H 3.300 . 4.300 3.859 2.089 4.334 0.034 17 0 "[ . 1 . 2 ]" 2
682 1 95 GLU H 1 99 ILE HB 5.100 2.600 6.600 4.358 3.780 6.454 . 0 0 "[ . 1 . 2 ]" 2
683 1 98 LYS HA 1 98 LYS HG3 4.200 2.200 5.400 3.009 2.411 3.779 . 0 0 "[ . 1 . 2 ]" 2
684 1 98 LYS HA 1 98 LYS HG2 3.400 2.200 4.000 3.003 2.497 3.786 . 0 0 "[ . 1 . 2 ]" 2
685 1 98 LYS HB2 1 102 MET ME 4.200 2.200 5.400 4.360 3.337 5.342 . 0 0 "[ . 1 . 2 ]" 2
686 1 98 LYS HB3 1 102 MET ME 3.400 2.200 4.000 3.764 2.984 4.110 0.110 9 0 "[ . 1 . 2 ]" 2
687 1 98 LYS H 1 98 LYS HG3 4.200 2.200 5.400 3.417 2.182 4.488 0.018 3 0 "[ . 1 . 2 ]" 2
688 1 98 LYS H 1 98 LYS HG2 5.100 2.600 6.600 3.777 2.221 4.630 0.379 22 0 "[ . 1 . 2 ]" 2
689 1 98 LYS H 1 98 LYS HB2 3.400 2.200 4.000 2.511 2.380 2.616 . 0 0 "[ . 1 . 2 ]" 2
690 1 98 LYS H 1 98 LYS HB3 3.400 2.200 4.000 3.149 2.465 3.609 . 0 0 "[ . 1 . 2 ]" 2
691 1 99 ILE HA 1 103 ILE QG 4.200 2.200 5.400 4.201 3.741 4.417 . 0 0 "[ . 1 . 2 ]" 2
692 1 99 ILE HA 1 99 ILE MD 4.200 2.200 5.400 2.804 2.329 3.980 . 0 0 "[ . 1 . 2 ]" 2
693 1 99 ILE HA 1 99 ILE QG 4.200 2.200 5.400 2.190 2.086 2.714 0.114 4 0 "[ . 1 . 2 ]" 2
694 1 99 ILE HB 1 100 TYR H 4.200 2.200 5.400 3.611 2.206 3.848 . 0 0 "[ . 1 . 2 ]" 2
695 1 99 ILE HA 1 99 ILE HB 5.100 2.600 6.600 2.686 2.562 3.012 0.038 19 0 "[ . 1 . 2 ]" 2
696 1 99 ILE HB 1 99 ILE MD 3.400 2.200 4.000 3.115 2.015 3.228 0.185 17 0 "[ . 1 . 2 ]" 2
697 1 99 ILE HB 1 99 ILE QG 5.100 2.600 6.600 2.202 2.169 2.481 0.431 11 0 "[ . 1 . 2 ]" 2
698 1 99 ILE HB 1 99 ILE MG 2.700 . 3.100 2.118 2.114 2.126 . 0 0 "[ . 1 . 2 ]" 2
699 1 99 ILE H 1 99 ILE HB 3.400 2.200 4.000 2.313 2.146 2.979 0.054 22 0 "[ . 1 . 2 ]" 2
700 1 99 ILE MD 1 100 TYR H 5.100 2.600 6.600 3.937 2.981 4.278 . 0 0 "[ . 1 . 2 ]" 2
701 1 99 ILE H 1 99 ILE MD 5.100 2.600 6.600 4.208 1.792 4.409 0.808 6 1 "[ .+ 1 . 2 ]" 2
702 1 99 ILE QG 1 99 ILE MG 2.700 . 3.100 2.368 2.058 2.463 . 0 0 "[ . 1 . 2 ]" 2
703 1 99 ILE H 1 99 ILE QG 4.200 2.200 5.400 3.633 1.441 3.965 0.759 17 1 "[ . 1 . + 2 ]" 2
704 1 99 ILE MG 1 100 TYR HA 4.200 2.200 5.400 3.143 2.955 3.588 . 0 0 "[ . 1 . 2 ]" 2
705 1 99 ILE MG 1 103 ILE H 4.200 2.200 5.400 4.727 4.437 4.974 . 0 0 "[ . 1 . 2 ]" 2
706 1 99 ILE H 1 102 MET ME 5.100 2.600 6.600 3.546 2.832 3.747 . 0 0 "[ . 1 . 2 ]" 2
707 1 99 ILE H 1 103 ILE QG 5.100 2.600 6.600 5.988 5.708 6.248 . 0 0 "[ . 1 . 2 ]" 2
708 1 99 ILE H 1 99 ILE MG 4.200 2.200 5.400 2.799 2.376 3.726 . 0 0 "[ . 1 . 2 ]" 2
709 1 47 THR H 1 47 THR MG 2.700 . 3.000 2.977 2.680 3.106 0.106 19 0 "[ . 1 . 2 ]" 2
710 1 34 LEU H 1 35 LEU H 4.200 . 6.000 1.976 1.406 3.368 . 0 0 "[ . 1 . 2 ]" 2
711 1 33 LEU H 1 34 LEU H 3.400 . 4.000 1.871 1.465 3.360 . 0 0 "[ . 1 . 2 ]" 2
712 1 44 GLN H 1 45 LYS H 2.700 . 3.000 2.384 1.504 3.165 0.165 23 0 "[ . 1 . 2 ]" 2
713 1 45 LYS H 1 45 LYS HA 2.700 . 3.000 2.871 2.638 2.939 . 0 0 "[ . 1 . 2 ]" 2
714 1 45 LYS H 1 45 LYS QG 2.700 . 3.000 2.524 1.762 3.029 0.029 4 0 "[ . 1 . 2 ]" 2
715 1 34 LEU H 1 34 LEU HB2 2.700 . 3.000 2.862 2.296 3.915 0.915 7 5 "[ * . + 1 * * 2 -]" 2
716 1 79 ASN H 1 80 ASP H 2.700 . 3.000 2.843 1.691 3.085 0.085 15 0 "[ . 1 . 2 ]" 2
717 1 43 ALA MB 1 44 GLN H 4.200 . 6.000 2.307 1.783 2.815 . 0 0 "[ . 1 . 2 ]" 2
718 1 43 ALA HA 1 44 GLN H 2.700 . 4.000 2.487 2.232 3.549 . 0 0 "[ . 1 . 2 ]" 2
719 1 39 LYS HA 1 44 GLN H 4.200 . 6.000 4.064 1.869 4.817 . 0 0 "[ . 1 . 2 ]" 2
720 1 39 LYS H 1 39 LYS HA 2.700 . 3.000 2.787 2.713 2.943 . 0 0 "[ . 1 . 2 ]" 2
721 1 38 LEU H 1 39 LYS H . . 3.000 2.318 1.861 3.008 0.008 13 0 "[ . 1 . 2 ]" 2
722 1 39 LYS H 1 40 SER H 4.200 . 6.000 2.676 1.889 2.947 . 0 0 "[ . 1 . 2 ]" 2
723 1 37 LEU H 1 38 LEU H 4.200 . 6.000 2.238 1.938 2.521 . 0 0 "[ . 1 . 2 ]" 2
724 1 37 LEU QB 1 38 LEU H 4.200 . 6.000 2.786 2.057 3.309 . 0 0 "[ . 1 . 2 ]" 2
725 1 36 LYS H 1 37 LEU H 4.200 . 6.000 2.584 2.264 3.286 . 0 0 "[ . 1 . 2 ]" 2
726 1 37 LEU H 1 37 LEU QD 2.900 . 3.800 3.576 2.823 3.757 . 0 0 "[ . 1 . 2 ]" 2
727 1 35 LEU H 1 36 LYS H . . 4.000 2.483 1.746 4.421 0.421 6 0 "[ . 1 . 2 ]" 2
728 1 35 LEU HA 1 36 LYS H 4.200 . 6.000 3.394 2.329 3.585 . 0 0 "[ . 1 . 2 ]" 2
729 1 36 LYS H 1 36 LYS QG 4.200 . 6.000 3.246 2.241 4.502 . 0 0 "[ . 1 . 2 ]" 2
730 1 36 LYS HA 1 39 LYS H 4.200 . 6.000 4.027 2.571 4.790 . 0 0 "[ . 1 . 2 ]" 2
731 1 35 LEU H 1 35 LEU HB3 4.200 . 6.000 3.736 3.240 4.084 . 0 0 "[ . 1 . 2 ]" 2
732 1 35 LEU H 1 35 LEU HB2 4.200 . 6.000 2.936 2.553 3.568 . 0 0 "[ . 1 . 2 ]" 2
733 1 34 LEU HA 1 35 LEU H 3.400 . 4.000 3.238 2.138 3.555 . 0 0 "[ . 1 . 2 ]" 2
734 1 65 ARG H 1 65 ARG HA 2.700 . 3.000 2.339 2.267 2.848 . 0 0 "[ . 1 . 2 ]" 2
735 1 65 ARG H 1 65 ARG QG 4.200 . 6.000 3.100 2.034 4.483 . 0 0 "[ . 1 . 2 ]" 2
736 1 64 LYS HA 1 65 ARG H 2.700 . 3.000 2.984 2.300 3.426 0.426 14 0 "[ . 1 . 2 ]" 2
737 1 64 LYS H 1 65 ARG H 2.700 . 3.000 2.763 2.451 3.165 0.165 14 0 "[ . 1 . 2 ]" 2
738 1 63 THR H 1 64 LYS H 4.200 . 6.000 3.516 1.631 4.660 . 0 0 "[ . 1 . 2 ]" 2
739 1 64 LYS H 1 64 LYS QG 2.700 . 3.000 2.607 2.206 3.017 0.017 16 0 "[ . 1 . 2 ]" 2
740 1 63 THR H 1 63 THR HB 3.400 . 4.000 2.917 2.370 3.741 . 0 0 "[ . 1 . 2 ]" 2
741 1 62 MET QG 1 63 THR H 3.400 . 4.000 3.717 2.694 4.103 0.103 24 0 "[ . 1 . 2 ]" 2
742 1 62 MET QB 1 63 THR H 3.400 . 4.000 3.153 1.817 4.052 0.052 16 0 "[ . 1 . 2 ]" 2
743 1 61 ILE MD 1 62 MET H 2.700 . 3.600 3.845 3.647 4.160 0.560 9 3 "[ . +1 - . 2 * ]" 2
744 1 62 MET H 1 62 MET QB 2.700 . 3.000 2.549 2.411 2.797 . 0 0 "[ . 1 . 2 ]" 2
745 1 62 MET H 1 62 MET QG 2.700 . 3.000 2.085 1.902 2.442 . 0 0 "[ . 1 . 2 ]" 2
746 1 61 ILE H 1 62 MET H 2.700 . 3.000 2.901 2.560 3.056 0.056 18 0 "[ . 1 . 2 ]" 2
747 1 60 TYR QD 1 61 ILE H 2.700 . 3.600 3.605 3.204 3.693 0.093 2 0 "[ . 1 . 2 ]" 2
748 1 60 TYR H 1 61 ILE H 2.700 . 3.000 2.791 2.672 2.938 . 0 0 "[ . 1 . 2 ]" 2
749 1 60 TYR HB2 1 61 ILE H 3.400 . 4.000 3.904 3.746 4.137 0.137 15 0 "[ . 1 . 2 ]" 2
750 1 60 TYR HB3 1 61 ILE H 4.200 . 6.000 2.668 2.392 2.983 . 0 0 "[ . 1 . 2 ]" 2
751 1 60 TYR H 1 60 TYR QD 4.200 . 6.000 4.184 4.148 4.207 . 0 0 "[ . 1 . 2 ]" 2
752 1 59 GLN H 1 60 TYR H 3.400 . 4.000 2.868 2.607 3.090 . 0 0 "[ . 1 . 2 ]" 2
753 1 60 TYR H 1 60 TYR HB3 4.200 . 6.000 2.618 2.508 2.756 . 0 0 "[ . 1 . 2 ]" 2
754 1 58 GLY H 1 59 GLN H 2.700 . 3.000 2.841 2.732 2.925 . 0 0 "[ . 1 . 2 ]" 2
755 1 101 THR H 1 102 MET H 3.400 . 4.000 2.542 2.191 2.688 . 0 0 "[ . 1 . 2 ]" 2
756 1 100 TYR H 1 101 THR H 3.400 . 4.000 2.339 2.218 2.524 . 0 0 "[ . 1 . 2 ]" 2
757 1 99 ILE MG 1 100 TYR H 4.200 . 6.000 2.428 2.127 3.901 . 0 0 "[ . 1 . 2 ]" 2
758 1 100 TYR H 1 100 TYR HB2 4.200 . 6.000 2.290 2.237 2.366 . 0 0 "[ . 1 . 2 ]" 2
759 1 99 ILE H 1 100 TYR H 4.200 . 6.000 2.673 2.491 2.958 . 0 0 "[ . 1 . 2 ]" 2
760 1 98 LYS H 1 99 ILE H 2.700 . 3.000 2.554 2.419 2.932 . 0 0 "[ . 1 . 2 ]" 2
761 1 13 ALA H 1 13 ALA HA . . 3.000 2.773 2.271 2.944 . 0 0 "[ . 1 . 2 ]" 2
762 1 57 LEU HB3 1 58 GLY H 2.700 . 3.000 2.615 2.346 2.923 . 0 0 "[ . 1 . 2 ]" 2
763 1 57 LEU H 1 58 GLY H . . 3.000 2.690 2.402 2.860 . 0 0 "[ . 1 . 2 ]" 2
764 1 56 TYR H 1 57 LEU H 4.200 . 6.000 2.718 2.393 2.961 . 0 0 "[ . 1 . 2 ]" 2
765 1 56 TYR QB 1 57 LEU H . . 4.000 2.531 2.242 3.002 . 0 0 "[ . 1 . 2 ]" 2
766 1 57 LEU H 1 57 LEU MD1 4.200 . 6.000 4.163 4.064 4.306 . 0 0 "[ . 1 . 2 ]" 2
767 1 38 LEU QD 1 57 LEU H 4.200 . 6.000 2.712 2.384 3.284 . 0 0 "[ . 1 . 2 ]" 2
768 1 55 PHE H 1 56 TYR H . . 3.000 2.524 2.419 2.607 . 0 0 "[ . 1 . 2 ]" 2
769 1 56 TYR H 1 56 TYR QD 3.400 . 4.000 3.835 3.670 4.027 0.027 16 0 "[ . 1 . 2 ]" 2
770 1 55 PHE HA 1 56 TYR H 4.200 . 6.000 3.466 3.376 3.522 . 0 0 "[ . 1 . 2 ]" 2
771 1 55 PHE H 1 55 PHE QB 2.700 . 3.000 2.562 2.094 2.765 . 0 0 "[ . 1 . 2 ]" 2
772 1 54 LEU H 1 55 PHE H 3.400 . 4.000 3.157 3.017 3.270 . 0 0 "[ . 1 . 2 ]" 2
773 1 71 GLN HA 1 72 GLN H 2.700 . 3.000 2.754 2.172 3.188 0.188 14 0 "[ . 1 . 2 ]" 2
774 1 72 GLN H 1 72 GLN QB 3.400 . 4.000 3.009 2.448 3.420 . 0 0 "[ . 1 . 2 ]" 2
775 1 15 THR H 1 15 THR HB 2.700 . 3.000 2.795 2.543 3.045 0.045 20 0 "[ . 1 . 2 ]" 2
776 1 14 VAL HB 1 15 THR H 2.700 . 3.000 2.561 1.932 3.412 0.412 20 0 "[ . 1 . 2 ]" 2
777 1 53 VAL H 1 53 VAL HB 2.700 . 3.000 2.731 2.541 3.562 0.562 23 2 "[ . 1 . - + ]" 2
778 1 53 VAL H 1 54 LEU H 2.700 . 3.000 2.656 2.259 2.909 . 0 0 "[ . 1 . 2 ]" 2
779 1 51 LYS H 1 52 GLU H 4.200 . 6.000 2.339 2.246 2.496 . 0 0 "[ . 1 . 2 ]" 2
780 1 52 GLU H 1 52 GLU HA 2.700 . 3.000 2.768 2.724 2.812 . 0 0 "[ . 1 . 2 ]" 2
781 1 52 GLU H 1 52 GLU QG 4.200 . 6.000 3.837 2.838 4.030 . 0 0 "[ . 1 . 2 ]" 2
782 1 49 THR HB 1 50 MET H 5.000 . 7.000 2.461 1.704 3.954 . 0 0 "[ . 1 . 2 ]" 2
783 1 50 MET H 1 51 LYS H 4.200 . 6.000 2.706 2.307 4.015 . 0 0 "[ . 1 . 2 ]" 2
784 1 51 LYS H 1 51 LYS HA 2.700 . 3.000 2.904 2.861 2.926 . 0 0 "[ . 1 . 2 ]" 2
785 1 51 LYS H 1 51 LYS QG 4.200 . 6.000 3.143 1.879 4.090 . 0 0 "[ . 1 . 2 ]" 2
786 1 51 LYS H 1 51 LYS QB 3.400 . 4.000 2.449 2.271 2.839 . 0 0 "[ . 1 . 2 ]" 2
787 1 82 LEU HA 1 85 LEU H 4.200 . 6.000 3.336 2.893 4.891 . 0 0 "[ . 1 . 2 ]" 2
788 1 84 ASP H 1 85 LEU H 2.700 . 3.000 2.691 2.498 2.764 . 0 0 "[ . 1 . 2 ]" 2
789 1 85 LEU H 1 86 PHE H 2.700 . 3.000 2.919 2.203 3.107 0.107 2 0 "[ . 1 . 2 ]" 2
790 1 26 THR H 1 27 LEU H 4.200 . 6.000 4.065 3.024 4.639 . 0 0 "[ . 1 . 2 ]" 2
791 1 27 LEU H 1 27 LEU QD 3.400 . 4.000 3.341 2.293 3.888 . 0 0 "[ . 1 . 2 ]" 2
792 1 34 LEU H 1 34 LEU HB3 4.200 . 6.000 3.478 2.533 3.897 . 0 0 "[ . 1 . 2 ]" 2
793 1 65 ARG HA 1 66 LEU H 3.400 . 4.000 2.668 2.157 3.258 . 0 0 "[ . 1 . 2 ]" 2
794 1 25 GLU HA 1 26 THR H 4.200 . 6.000 3.459 2.122 3.593 . 0 0 "[ . 1 . 2 ]" 2
795 1 26 THR H 1 26 THR HB 3.400 . 4.000 3.247 2.562 3.889 . 0 0 "[ . 1 . 2 ]" 2
796 1 25 GLU QG 1 26 THR H 2.700 . 3.000 2.435 1.371 3.207 0.207 12 0 "[ . 1 . 2 ]" 2
797 1 25 GLU QB 1 26 THR H 3.400 . 4.000 2.642 1.663 3.916 . 0 0 "[ . 1 . 2 ]" 2
798 1 26 THR H 1 27 LEU QD 4.200 . 6.000 4.803 4.007 5.934 . 0 0 "[ . 1 . 2 ]" 2
799 1 27 LEU HA 1 28 VAL H 4.200 . 6.000 2.292 2.154 2.507 . 0 0 "[ . 1 . 2 ]" 2
800 1 47 THR HA 1 48 TYR H 4.200 . 6.000 2.477 2.189 2.726 . 0 0 "[ . 1 . 2 ]" 2
801 1 29 ARG HA 1 48 TYR H 4.200 . 6.000 3.244 2.507 4.036 . 0 0 "[ . 1 . 2 ]" 2
802 1 41 VAL QG 1 43 ALA H 2.700 . 3.000 3.040 2.567 3.222 0.222 23 0 "[ . 1 . 2 ]" 2
803 1 41 VAL HA 1 42 GLY H 4.200 . 6.000 3.465 2.598 3.561 . 0 0 "[ . 1 . 2 ]" 2
804 1 43 ALA H 1 43 ALA HA 2.700 . 3.000 2.821 2.765 2.938 . 0 0 "[ . 1 . 2 ]" 2
805 1 42 GLY H 1 43 ALA H 4.200 . 6.000 1.885 1.523 3.744 . 0 0 "[ . 1 . 2 ]" 2
806 1 42 GLY HA2 1 43 ALA H 2.700 . 3.000 3.323 2.546 3.573 0.573 11 6 "[ . * *+ *. *2- ]" 2
807 1 42 GLY HA3 1 43 ALA H 4.200 . 6.000 3.131 2.744 3.578 . 0 0 "[ . 1 . 2 ]" 2
808 1 25 GLU H 1 26 THR H 2.700 . 3.000 2.617 1.494 3.348 0.348 12 0 "[ . 1 . 2 ]" 2
809 1 24 GLN H 1 25 GLU H 4.200 . 6.000 3.903 2.816 4.579 . 0 0 "[ . 1 . 2 ]" 2
810 1 25 GLU H 1 25 GLU HA 2.700 . 3.000 2.836 2.264 2.946 . 0 0 "[ . 1 . 2 ]" 2
811 1 25 GLU H 1 25 GLU QB 3.400 . 4.000 2.818 2.250 3.383 . 0 0 "[ . 1 . 2 ]" 2
812 1 25 GLU H 1 25 GLU QG 4.200 . 6.000 3.470 2.209 4.238 . 0 0 "[ . 1 . 2 ]" 2
813 1 21 ALA H 1 22 SER H 4.200 . 6.000 3.933 1.517 4.662 . 0 0 "[ . 1 . 2 ]" 2
814 1 22 SER H 1 23 GLU H 3.400 . 4.000 2.735 1.463 3.901 . 0 0 "[ . 1 . 2 ]" 2
815 1 22 SER H 1 22 SER HA 2.700 . 3.000 2.582 2.270 2.948 . 0 0 "[ . 1 . 2 ]" 2
816 1 22 SER H 1 23 GLU QB 4.200 . 6.000 4.698 3.479 5.417 . 0 0 "[ . 1 . 2 ]" 2
817 1 22 SER H 1 25 GLU QG 4.200 . 6.000 4.428 4.317 6.066 0.066 6 0 "[ . 1 . 2 ]" 2
818 1 24 GLN H 1 24 GLN HA 2.700 . 3.000 2.707 2.271 2.951 . 0 0 "[ . 1 . 2 ]" 2
819 1 24 GLN H 1 24 GLN QG 4.200 . 6.000 3.378 1.947 4.302 . 0 0 "[ . 1 . 2 ]" 2
820 1 24 GLN H 1 24 GLN QB 2.700 . 3.000 2.788 2.449 3.228 0.228 14 0 "[ . 1 . 2 ]" 2
821 1 84 ASP H 1 84 ASP HA 2.700 . 3.000 2.751 2.303 2.834 . 0 0 "[ . 1 . 2 ]" 2
822 1 83 GLY H 1 84 ASP H 4.200 . 6.000 2.686 2.181 2.862 . 0 0 "[ . 1 . 2 ]" 2
823 1 23 GLU H 1 24 GLN H 3.400 . 4.000 2.927 1.756 3.970 . 0 0 "[ . 1 . 2 ]" 2
824 1 23 GLU H 1 23 GLU HB3 4.200 . 6.000 3.203 2.471 4.054 . 0 0 "[ . 1 . 2 ]" 2
825 1 23 GLU H 1 23 GLU HB2 2.700 . 3.000 2.882 2.311 3.619 0.619 8 2 "[ . + 1- . 2 ]" 2
826 1 80 ASP QB 1 84 ASP H 5.000 . 7.000 4.781 4.447 5.231 . 0 0 "[ . 1 . 2 ]" 2
827 1 83 GLY QA 1 84 ASP H 4.200 . 6.000 2.728 2.647 2.954 . 0 0 "[ . 1 . 2 ]" 2
828 1 19 ILE H 1 19 ILE MG 2.700 . 3.000 2.166 1.621 2.687 . 0 0 "[ . 1 . 2 ]" 2
829 1 102 MET H 1 103 ILE H 2.700 . 3.000 2.356 2.047 2.612 . 0 0 "[ . 1 . 2 ]" 2
830 1 103 ILE H 1 104 TYR H . . 4.000 2.782 2.436 2.925 . 0 0 "[ . 1 . 2 ]" 2
831 1 80 ASP QB 1 82 LEU H 5.000 . 7.000 2.885 2.367 3.529 . 0 0 "[ . 1 . 2 ]" 2
832 1 80 ASP QB 1 83 GLY H 4.200 . 6.000 2.570 2.103 3.604 . 0 0 "[ . 1 . 2 ]" 2
833 1 82 LEU H 1 83 GLY H 4.200 . 6.000 2.733 2.515 4.210 . 0 0 "[ . 1 . 2 ]" 2
834 1 86 PHE H 1 87 GLY H 2.700 . 3.000 2.434 1.845 2.767 . 0 0 "[ . 1 . 2 ]" 2
835 1 47 THR HB 1 48 TYR H 2.700 . 3.000 2.203 1.802 2.874 . 0 0 "[ . 1 . 2 ]" 2
836 1 48 TYR HA 1 49 THR H 3.400 . 4.000 2.495 2.206 2.626 . 0 0 "[ . 1 . 2 ]" 2
837 1 89 PRO QG 1 90 SER H 2.700 . 3.000 2.573 2.047 3.014 0.014 19 0 "[ . 1 . 2 ]" 2
838 1 88 VAL HB 1 90 SER H 2.700 . 3.000 2.308 1.761 3.594 0.594 6 1 "[ .+ 1 . 2 ]" 2
839 1 89 PRO HD2 1 90 SER H 4.200 . 6.000 2.586 2.218 3.349 . 0 0 "[ . 1 . 2 ]" 2
840 1 89 PRO HD3 1 90 SER H 4.200 . 6.000 3.787 3.561 4.219 . 0 0 "[ . 1 . 2 ]" 2
841 1 90 SER H 1 90 SER HA 2.700 . 3.000 2.858 2.768 2.926 . 0 0 "[ . 1 . 2 ]" 2
842 1 110 VAL H 1 110 VAL HB 2.700 . 3.000 2.658 2.490 3.334 0.334 15 0 "[ . 1 . 2 ]" 2
843 1 26 THR HA 1 110 VAL H 3.400 . 4.000 4.025 3.755 4.341 0.341 12 0 "[ . 1 . 2 ]" 2
844 1 28 VAL HA 1 110 VAL H 4.200 . 6.000 4.252 3.294 5.779 . 0 0 "[ . 1 . 2 ]" 2
845 1 110 VAL H 1 110 VAL HA 2.700 . 3.000 2.794 2.266 2.949 . 0 0 "[ . 1 . 2 ]" 2
846 1 107 LEU H 1 107 LEU QB 3.400 . 4.000 2.660 2.147 3.386 . 0 0 "[ . 1 . 2 ]" 2
847 1 107 LEU H 1 107 LEU MD1 4.200 . 6.000 3.837 2.013 4.840 . 0 0 "[ . 1 . 2 ]" 2
848 1 104 TYR H 1 104 TYR QD 2.700 . 3.000 2.547 2.243 2.914 . 0 0 "[ . 1 . 2 ]" 2
849 1 104 TYR H 1 104 TYR QB 3.400 . 4.000 2.462 2.311 2.811 . 0 0 "[ . 1 . 2 ]" 2
850 1 101 THR HA 1 104 TYR H 2.700 . 3.600 3.562 2.992 3.662 0.062 15 0 "[ . 1 . 2 ]" 2
851 1 104 TYR H 1 104 TYR HA 2.700 . 3.000 2.926 2.882 2.948 . 0 0 "[ . 1 . 2 ]" 2
852 1 99 ILE MG 1 102 MET H 4.200 . 6.000 4.923 4.712 5.054 . 0 0 "[ . 1 . 2 ]" 2
853 1 102 MET H 1 102 MET HG2 3.400 . 4.000 2.831 1.894 3.478 . 0 0 "[ . 1 . 2 ]" 2
854 1 102 MET H 1 102 MET HG3 2.700 . 3.000 2.442 2.000 3.106 0.106 21 0 "[ . 1 . 2 ]" 2
855 1 101 THR HB 1 102 MET H 4.200 . 6.000 3.485 2.699 4.194 . 0 0 "[ . 1 . 2 ]" 2
856 1 99 ILE HA 1 102 MET H 2.700 . 4.000 3.773 3.498 3.996 . 0 0 "[ . 1 . 2 ]" 2
857 1 72 GLN H 1 73 HIS H 3.400 . 4.000 2.901 2.652 4.336 0.336 12 0 "[ . 1 . 2 ]" 2
858 1 72 GLN HA 1 73 HIS H 4.200 . 6.000 3.132 2.305 3.579 . 0 0 "[ . 1 . 2 ]" 2
859 1 72 GLN QB 1 73 HIS H 4.200 . 6.000 3.363 2.139 3.909 . 0 0 "[ . 1 . 2 ]" 2
860 1 97 ARG H 1 98 LYS H 4.200 . 6.000 2.930 2.778 3.061 . 0 0 "[ . 1 . 2 ]" 2
861 1 96 HIS QB 1 97 ARG H 2.700 . 3.600 2.812 1.888 3.639 0.039 10 0 "[ . 1 . 2 ]" 2
862 1 97 ARG H 1 97 ARG QB 3.400 . 4.000 2.336 2.188 2.713 . 0 0 "[ . 1 . 2 ]" 2
863 1 94 LYS H 1 95 GLU H 2.700 . 3.000 2.682 2.197 3.001 0.001 24 0 "[ . 1 . 2 ]" 2
864 1 58 GLY HA2 1 61 ILE H 3.400 . 4.000 3.918 3.630 4.071 0.071 16 0 "[ . 1 . 2 ]" 2
865 1 56 TYR H 1 58 GLY H 3.400 . 5.000 3.844 3.355 4.129 . 0 0 "[ . 1 . 2 ]" 2
866 1 57 LEU HB2 1 58 GLY H 4.200 . 6.000 3.570 3.196 4.078 . 0 0 "[ . 1 . 2 ]" 2
867 1 79 ASN HA 1 80 ASP H 4.200 . 6.000 2.628 2.344 3.567 . 0 0 "[ . 1 . 2 ]" 2
868 1 78 SER HA 1 79 ASN H 2.700 . 3.300 2.892 2.141 3.523 0.223 15 0 "[ . 1 . 2 ]" 2
869 1 79 ASN H 1 79 ASN HA . . 3.000 2.655 2.269 2.945 . 0 0 "[ . 1 . 2 ]" 2
870 1 20 PRO HA 1 21 ALA H 2.700 . 3.000 2.512 2.146 3.341 0.341 6 0 "[ . 1 . 2 ]" 2
871 1 21 ALA HA 1 22 SER H 2.700 . 3.000 2.634 2.147 3.334 0.334 14 0 "[ . 1 . 2 ]" 2
872 1 58 GLY HA2 1 59 GLN H 2.700 . 3.600 3.548 3.516 3.578 . 0 0 "[ . 1 . 2 ]" 2
873 1 53 VAL H 1 56 TYR H 4.200 . 6.000 4.790 4.557 4.963 . 0 0 "[ . 1 . 2 ]" 2
874 1 87 GLY QA 1 88 VAL H 4.200 . 6.000 2.880 2.751 2.919 . 0 0 "[ . 1 . 2 ]" 2
875 1 86 PHE QB 1 88 VAL H 3.400 . 4.000 2.262 1.714 3.418 . 0 0 "[ . 1 . 2 ]" 2
876 1 11 ASP HA 1 12 GLY H 2.700 . 3.000 2.408 2.142 2.984 . 0 0 "[ . 1 . 2 ]" 2
877 1 11 ASP QB 1 12 GLY H 4.200 . 6.000 3.284 2.049 3.967 . 0 0 "[ . 1 . 2 ]" 2
878 1 12 GLY QA 1 13 ALA H 2.700 . 3.000 2.411 2.108 2.918 . 0 0 "[ . 1 . 2 ]" 2
879 1 13 ALA MB 1 14 VAL H 2.700 . 3.000 2.642 1.937 3.151 0.151 5 0 "[ . 1 . 2 ]" 2
880 1 13 ALA HA 1 14 VAL H 2.700 . 3.000 2.379 2.157 3.276 0.276 5 0 "[ . 1 . 2 ]" 2
881 1 14 VAL H 1 14 VAL HB 2.700 . 3.000 2.681 2.401 3.066 0.066 11 0 "[ . 1 . 2 ]" 2
882 1 46 ASP H 1 47 THR H 3.400 . 4.000 2.352 2.019 2.845 . 0 0 "[ . 1 . 2 ]" 2
883 1 47 THR H 1 47 THR HB 4.200 . 6.000 3.840 3.601 4.059 . 0 0 "[ . 1 . 2 ]" 2
884 1 46 ASP H 1 46 ASP HA 2.700 . 3.000 2.846 2.277 2.943 . 0 0 "[ . 1 . 2 ]" 2
885 1 46 ASP H 1 46 ASP HB3 4.200 . 6.000 3.285 2.479 4.044 . 0 0 "[ . 1 . 2 ]" 2
886 1 45 LYS HB3 1 46 ASP H 4.200 . 6.000 2.470 1.803 3.459 . 0 0 "[ . 1 . 2 ]" 2
887 1 45 LYS HB2 1 46 ASP H 4.200 . 6.000 3.298 1.649 4.005 . 0 0 "[ . 1 . 2 ]" 2
888 1 40 SER H 1 41 VAL H 2.700 . 3.000 2.561 2.087 2.988 . 0 0 "[ . 1 . 2 ]" 2
889 1 41 VAL H 1 42 GLY H 4.200 . 6.000 2.822 2.337 4.616 . 0 0 "[ . 1 . 2 ]" 2
890 1 40 SER QB 1 41 VAL H 2.700 . 3.000 2.486 1.972 3.050 0.050 12 0 "[ . 1 . 2 ]" 2
891 1 35 LEU HA 1 37 LEU H 2.700 . 3.000 3.020 2.688 3.121 0.121 1 0 "[ . 1 . 2 ]" 2
892 1 35 LEU H 1 36 LYS QB 4.200 . 6.000 3.958 3.488 4.722 . 0 0 "[ . 1 . 2 ]" 2
893 1 11 ASP H 1 11 ASP QB 3.400 . 4.000 2.806 2.339 3.329 . 0 0 "[ . 1 . 2 ]" 2
894 1 10 THR HA 1 11 ASP H 5.000 . 7.000 2.713 2.144 3.572 . 0 0 "[ . 1 . 2 ]" 2
895 1 10 THR H 1 10 THR HB 3.400 . 4.000 3.309 2.534 4.009 0.009 19 0 "[ . 1 . 2 ]" 2
896 1 10 THR H 1 10 THR MG 4.200 . 6.000 2.986 1.887 4.038 . 0 0 "[ . 1 . 2 ]" 2
897 1 8 VAL H 1 8 VAL HA 2.700 . 3.000 2.899 2.275 2.949 . 0 0 "[ . 1 . 2 ]" 2
898 1 8 VAL H 1 8 VAL HB 4.200 . 6.000 3.094 2.534 3.845 . 0 0 "[ . 1 . 2 ]" 2
899 1 16 THR H 1 16 THR HA 2.700 . 3.000 2.804 2.270 2.949 . 0 0 "[ . 1 . 2 ]" 2
900 1 14 VAL QG 1 16 THR H 5.000 . 7.000 4.691 1.526 5.513 . 0 0 "[ . 1 . 2 ]" 2
901 1 28 VAL HB 1 29 ARG H 3.400 . 4.000 3.902 3.435 4.281 0.281 2 0 "[ . 1 . 2 ]" 2
902 1 28 VAL HA 1 29 ARG H 4.200 . 6.000 2.192 2.094 2.295 . 0 0 "[ . 1 . 2 ]" 2
903 1 69 GLU H 1 70 LYS H 4.200 . 6.000 2.348 1.792 3.064 . 0 0 "[ . 1 . 2 ]" 2
904 1 70 LYS H 1 71 GLN H 3.400 . 4.000 2.517 1.925 3.103 . 0 0 "[ . 1 . 2 ]" 2
905 1 69 GLU QB 1 70 LYS H 4.200 . 6.000 3.258 2.696 4.043 . 0 0 "[ . 1 . 2 ]" 2
906 1 69 GLU QG 1 70 LYS H 3.400 . 4.000 3.706 2.290 4.150 0.150 22 0 "[ . 1 . 2 ]" 2
907 1 70 LYS H 1 70 LYS HA 2.700 . 3.000 2.913 2.771 2.951 . 0 0 "[ . 1 . 2 ]" 2
908 1 70 LYS H 1 70 LYS QG 2.700 . 3.000 2.477 1.887 2.981 . 0 0 "[ . 1 . 2 ]" 2
909 1 71 GLN H 1 71 GLN QG 2.700 . 3.000 2.655 2.187 2.948 . 0 0 "[ . 1 . 2 ]" 2
910 1 68 ASP QB 1 71 GLN H 3.400 . 4.000 3.262 2.075 3.931 . 0 0 "[ . 1 . 2 ]" 2
911 1 68 ASP QB 1 70 LYS H 2.700 . 3.000 2.861 1.496 3.082 0.082 23 0 "[ . 1 . 2 ]" 2
912 1 74 ILE H 1 74 ILE QG 2.700 . 3.000 2.269 1.951 2.686 . 0 0 "[ . 1 . 2 ]" 2
913 1 68 ASP QB 1 74 ILE H 2.700 . 3.000 2.806 2.022 3.013 0.013 15 0 "[ . 1 . 2 ]" 2
914 1 74 ILE H 1 74 ILE HA 2.700 . 3.000 2.923 2.855 2.952 . 0 0 "[ . 1 . 2 ]" 2
915 1 73 HIS HA 1 74 ILE H 4.200 . 6.000 3.435 3.153 3.585 . 0 0 "[ . 1 . 2 ]" 2
916 1 74 ILE H 1 75 VAL H 4.200 . 6.000 4.304 3.728 4.627 . 0 0 "[ . 1 . 2 ]" 2
917 1 74 ILE HA 1 75 VAL H 4.200 . 6.000 2.276 2.153 2.475 . 0 0 "[ . 1 . 2 ]" 2
918 1 75 VAL QG 1 77 CYS H 5.000 . 6.200 4.243 3.549 4.842 . 0 0 "[ . 1 . 2 ]" 2
919 1 76 TYR QB 1 77 CYS H 4.200 . 5.400 3.270 2.476 3.727 . 0 0 "[ . 1 . 2 ]" 2
920 1 77 CYS H 1 90 SER HA 3.200 . 4.000 3.208 2.840 3.800 . 0 0 "[ . 1 . 2 ]" 2
921 1 77 CYS H 1 90 SER QB 3.400 . 4.400 4.247 3.905 4.465 0.065 13 0 "[ . 1 . 2 ]" 2
922 1 77 CYS H 1 78 SER H 2.700 . 3.300 3.110 2.118 3.375 0.075 15 0 "[ . 1 . 2 ]" 2
923 1 78 SER H 1 78 SER HB3 2.700 . 3.000 2.988 2.479 3.649 0.649 4 10 "[ -*+* *1****.* 2 ]" 2
924 1 87 GLY H 1 88 VAL H 4.200 . 6.000 2.319 1.700 2.758 . 0 0 "[ . 1 . 2 ]" 2
925 1 90 SER HA 1 91 PHE H 4.200 . 6.000 2.245 2.170 2.380 . 0 0 "[ . 1 . 2 ]" 2
926 1 91 PHE H 1 91 PHE HA 2.700 . 3.000 2.928 2.893 2.949 . 0 0 "[ . 1 . 2 ]" 2
927 1 90 SER QB 1 91 PHE H . . 3.000 2.956 2.703 3.135 0.135 6 0 "[ . 1 . 2 ]" 2
928 1 75 VAL QG 1 91 PHE H 2.700 . 3.000 2.875 2.262 3.115 0.115 13 0 "[ . 1 . 2 ]" 2
929 1 91 PHE H 1 91 PHE QB 2.700 . 3.000 3.045 2.870 3.127 0.127 13 0 "[ . 1 . 2 ]" 2
930 1 75 VAL H 1 91 PHE H 2.700 . 3.000 2.494 1.871 3.135 0.135 12 0 "[ . 1 . 2 ]" 2
931 1 92 SER H 1 92 SER QB . . 3.000 2.542 2.291 2.898 . 0 0 "[ . 1 . 2 ]" 2
932 1 91 PHE HA 1 92 SER H 4.200 . 6.000 2.324 2.213 2.534 . 0 0 "[ . 1 . 2 ]" 2
933 1 91 PHE HB2 1 93 VAL H 4.200 . 6.000 5.319 3.640 6.146 0.146 22 0 "[ . 1 . 2 ]" 2
934 1 92 SER HA 1 93 VAL H 4.200 . 6.000 2.288 2.126 3.470 . 0 0 "[ . 1 . 2 ]" 2
935 1 93 VAL H 1 94 LYS H 4.200 . 6.000 2.536 1.694 3.151 . 0 0 "[ . 1 . 2 ]" 2
936 1 94 LYS H 1 94 LYS HB3 2.700 . 3.000 2.852 2.462 3.624 0.624 22 6 "[ * . * 1 . * 2*+ -]" 2
937 1 94 LYS H 1 94 LYS QG 4.200 . 6.000 3.412 1.930 4.061 . 0 0 "[ . 1 . 2 ]" 2
938 1 93 VAL HB 1 94 LYS H 4.200 . 6.000 3.810 2.574 4.350 . 0 0 "[ . 1 . 2 ]" 2
939 1 95 GLU H 1 95 GLU HG2 4.200 . 6.000 2.323 1.730 3.904 . 0 0 "[ . 1 . 2 ]" 2
940 1 96 HIS H 1 97 ARG H 4.200 . 6.000 2.850 1.747 3.959 . 0 0 "[ . 1 . 2 ]" 2
941 1 96 HIS H 1 96 HIS HD1 4.200 . 6.000 3.654 2.208 5.135 . 0 0 "[ . 1 . 2 ]" 2
942 1 95 GLU HA 1 96 HIS H 5.000 . 7.000 2.710 2.249 3.563 . 0 0 "[ . 1 . 2 ]" 2
943 1 98 LYS HA 1 99 ILE H 2.700 . 3.400 3.510 3.473 3.554 0.154 17 0 "[ . 1 . 2 ]" 2
944 1 101 THR H 1 101 THR HB 4.200 . 6.000 2.701 2.451 3.627 . 0 0 "[ . 1 . 2 ]" 2
945 1 100 TYR HB3 1 101 THR H 4.200 . 6.000 3.706 3.498 4.037 . 0 0 "[ . 1 . 2 ]" 2
946 1 35 LEU HA 1 39 LYS H 2.700 . 3.000 2.832 2.586 3.342 0.342 21 0 "[ . 1 . 2 ]" 2
947 1 34 LEU H 1 34 LEU QD 4.200 . 6.000 3.032 2.214 3.898 . 0 0 "[ . 1 . 2 ]" 2
948 1 43 ALA H 1 44 GLN H 3.400 . 4.000 2.354 1.504 3.100 . 0 0 "[ . 1 . 2 ]" 2
949 1 62 MET H 1 63 THR H 4.200 . 6.000 2.518 1.625 3.243 . 0 0 "[ . 1 . 2 ]" 2
950 1 61 ILE H 1 62 MET H 3.400 . 4.000 2.516 2.043 2.753 . 0 0 "[ . 1 . 2 ]" 2
951 1 56 TYR HA 1 60 TYR H 2.700 . 3.000 3.151 2.944 3.286 0.286 13 0 "[ . 1 . 2 ]" 2
952 1 58 GLY HA3 1 59 GLN H 2.700 . 3.000 2.502 2.445 2.564 . 0 0 "[ . 1 . 2 ]" 2
953 1 66 LEU H 1 66 LEU QD 2.700 . 3.000 2.871 2.358 3.233 0.233 21 0 "[ . 1 . 2 ]" 2
954 1 23 GLU H 1 24 GLN H 3.400 . 4.000 2.823 1.753 3.585 . 0 0 "[ . 1 . 2 ]" 2
955 1 110 VAL H 1 110 VAL QG 3.400 . 4.000 2.174 1.905 2.806 . 0 0 "[ . 1 . 2 ]" 2
956 1 103 ILE MD 1 104 TYR H 3.400 . 4.000 3.102 2.639 3.470 . 0 0 "[ . 1 . 2 ]" 2
957 1 101 THR H 1 102 MET H 2.700 . 3.000 2.162 1.962 2.354 . 0 0 "[ . 1 . 2 ]" 2
958 1 66 LEU H 1 67 TYR QR 4.200 . 6.000 2.822 2.287 3.068 . 0 0 "[ . 1 . 2 ]" 2
959 1 34 LEU H 1 34 LEU QD 2.700 . 3.000 3.034 2.214 3.907 0.907 24 2 "[ . 1 . 2- +]" 2
960 1 20 PRO QB 1 21 ALA H 4.200 . 6.000 3.506 1.498 3.989 . 0 0 "[ . 1 . 2 ]" 2
961 1 41 VAL H 1 42 GLY H 4.200 . 6.000 1.836 1.519 3.591 . 0 0 "[ . 1 . 2 ]" 2
962 1 40 SER HA 1 41 VAL H 4.200 . 6.000 3.504 3.416 3.563 . 0 0 "[ . 1 . 2 ]" 2
963 1 8 VAL H 1 8 VAL QG 2.700 . 3.000 2.258 1.767 2.678 . 0 0 "[ . 1 . 2 ]" 2
964 1 15 THR HA 1 16 THR H 2.700 . 3.000 2.303 2.062 3.165 0.165 24 0 "[ . 1 . 2 ]" 2
965 1 70 LYS QB 1 71 GLN H 2.700 . 3.000 2.119 1.794 3.004 0.004 16 0 "[ . 1 . 2 ]" 2
966 1 92 SER H 1 95 GLU QB 3.400 . 4.000 3.992 3.701 4.118 0.118 2 0 "[ . 1 . 2 ]" 2
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