NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
393384 |
1qkf   |
4369 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qkf
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 926
_Distance_constraint_stats_list.Viol_count 83
_Distance_constraint_stats_list.Viol_total 5.239
_Distance_constraint_stats_list.Viol_max 0.225
_Distance_constraint_stats_list.Viol_rms 0.0247
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.0631
_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 0.000 0.000 . 0 "[ ]"
1 9 PHE 0.066 0.066 1 0 "[ ]"
1 10 VAL 0.059 0.059 1 0 "[ ]"
1 11 ASP 0.182 0.080 1 0 "[ ]"
1 12 ASP 0.309 0.155 1 0 "[ ]"
1 13 HIS 0.263 0.154 1 0 "[ ]"
1 14 LEU 0.101 0.068 1 0 "[ ]"
1 15 LEU 0.254 0.115 1 0 "[ ]"
1 16 GLU 0.105 0.062 1 0 "[ ]"
1 17 LYS 0.098 0.040 1 0 "[ ]"
1 18 VAL 0.157 0.125 1 0 "[ ]"
1 19 LEU 0.434 0.225 1 0 "[ ]"
1 20 GLU 0.268 0.225 1 0 "[ ]"
1 21 LEU 0.086 0.045 1 0 "[ ]"
1 22 ASN 0.041 0.026 1 0 "[ ]"
1 23 ALA 0.331 0.212 1 0 "[ ]"
1 24 LYS 0.219 0.105 1 0 "[ ]"
1 25 GLY 0.000 0.000 . 0 "[ ]"
1 26 GLU 0.129 0.105 1 0 "[ ]"
1 27 LYS 0.024 0.019 1 0 "[ ]"
1 28 ARG 0.069 0.045 1 0 "[ ]"
1 29 LEU 0.151 0.045 1 0 "[ ]"
1 30 ILE 0.035 0.035 1 0 "[ ]"
1 31 LYS 0.000 0.000 . 0 "[ ]"
1 32 THR 0.000 0.000 . 0 "[ ]"
1 33 TRP 0.034 0.034 1 0 "[ ]"
1 34 SER 0.050 0.034 1 0 "[ ]"
1 35 ARG 0.016 0.016 1 0 "[ ]"
1 36 ARG 0.000 0.000 . 0 "[ ]"
1 37 SER 0.140 0.070 1 0 "[ ]"
1 38 THR 0.015 0.015 1 0 "[ ]"
1 39 ILE 0.313 0.213 1 0 "[ ]"
1 40 VAL 0.216 0.100 1 0 "[ ]"
1 41 PRO 0.101 0.101 1 0 "[ ]"
1 42 GLU 0.090 0.090 1 0 "[ ]"
1 43 MET 0.128 0.101 1 0 "[ ]"
1 44 VAL 0.225 0.091 1 0 "[ ]"
1 45 GLY 0.010 0.010 1 0 "[ ]"
1 46 HIS 0.148 0.051 1 0 "[ ]"
1 47 THR 0.394 0.216 1 0 "[ ]"
1 48 ILE 0.104 0.049 1 0 "[ ]"
1 49 ALA 0.000 0.000 . 0 "[ ]"
1 50 VAL 0.244 0.157 1 0 "[ ]"
1 51 TYR 0.000 0.000 . 0 "[ ]"
1 52 ASN 0.099 0.056 1 0 "[ ]"
1 53 GLY 0.070 0.070 1 0 "[ ]"
1 54 LYS 0.174 0.088 1 0 "[ ]"
1 55 GLN 0.187 0.088 1 0 "[ ]"
1 56 HIS 0.000 0.000 . 0 "[ ]"
1 57 VAL 0.019 0.013 1 0 "[ ]"
1 58 PRO 0.373 0.216 1 0 "[ ]"
1 59 VAL 0.198 0.149 1 0 "[ ]"
1 60 TYR 0.103 0.048 1 0 "[ ]"
1 61 ILE 0.201 0.091 1 0 "[ ]"
1 62 THR 0.000 0.000 . 0 "[ ]"
1 63 GLU 0.090 0.090 1 0 "[ ]"
1 64 ASN 0.017 0.017 1 0 "[ ]"
1 65 MET 0.133 0.077 1 0 "[ ]"
1 66 VAL 0.039 0.039 1 0 "[ ]"
1 67 GLY 0.000 0.000 . 0 "[ ]"
1 68 HIS 0.308 0.182 1 0 "[ ]"
1 69 LYS 0.314 0.133 1 0 "[ ]"
1 70 LEU 0.213 0.213 1 0 "[ ]"
1 71 GLY 0.155 0.082 1 0 "[ ]"
1 72 GLU 0.388 0.190 1 0 "[ ]"
1 73 PHE 0.334 0.149 1 0 "[ ]"
1 74 ALA 0.300 0.190 1 0 "[ ]"
1 75 PRO 0.058 0.058 1 0 "[ ]"
1 76 THR 0.165 0.108 1 0 "[ ]"
1 77 ARG 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 VAL H 1 8 VAL HB 0.000 . 3.500 3.027 3.027 3.027 . 0 0 "[ ]" 1
2 1 8 VAL H 1 8 VAL QG 0.000 . 3.500 1.999 1.999 1.999 . 0 0 "[ ]" 1
3 1 8 VAL H 1 9 PHE H 0.000 . 5.000 4.399 4.399 4.399 . 0 0 "[ ]" 1
4 1 8 VAL HA 1 9 PHE H 0.000 . 3.500 2.229 2.229 2.229 . 0 0 "[ ]" 1
5 1 8 VAL HA 1 9 PHE HA 0.000 . 5.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
6 1 8 VAL HA 1 9 PHE HB3 5.000 . 5.000 3.975 3.975 3.975 . 0 0 "[ ]" 1
7 1 8 VAL HB 1 9 PHE H 5.000 . 5.000 4.299 4.299 4.299 . 0 0 "[ ]" 1
8 1 8 VAL QG 1 9 PHE H 0.000 . 5.000 2.597 2.597 2.597 . 0 0 "[ ]" 1
9 1 9 PHE H 1 9 PHE HB2 0.000 . 3.500 3.566 3.566 3.566 0.066 1 0 "[ ]" 1
10 1 9 PHE H 1 9 PHE HB3 3.500 . 3.500 2.401 2.401 2.401 . 0 0 "[ ]" 1
11 1 9 PHE H 1 9 PHE QD 0.000 . 5.000 3.325 3.325 3.325 . 0 0 "[ ]" 1
12 1 9 PHE H 1 10 VAL H 0.000 . 5.000 4.453 4.453 4.453 . 0 0 "[ ]" 1
13 1 9 PHE H 1 38 THR HB 5.000 . 5.000 4.176 4.176 4.176 . 0 0 "[ ]" 1
14 1 9 PHE H 1 38 THR MG 6.000 . 6.000 4.886 4.886 4.886 . 0 0 "[ ]" 1
15 1 9 PHE HA 1 9 PHE QE 6.000 . 6.000 5.185 5.185 5.185 . 0 0 "[ ]" 1
16 1 9 PHE HA 1 10 VAL H 0.000 . 2.700 2.285 2.285 2.285 . 0 0 "[ ]" 1
17 1 9 PHE HA 1 10 VAL HA 5.000 . 5.000 4.479 4.479 4.479 . 0 0 "[ ]" 1
18 1 9 PHE HA 1 10 VAL QG 0.000 . 5.000 3.713 3.713 3.713 . 0 0 "[ ]" 1
19 1 9 PHE HB2 1 9 PHE QE 5.000 . 5.000 4.457 4.457 4.457 . 0 0 "[ ]" 1
20 1 9 PHE HB2 1 10 VAL H 5.000 . 5.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
21 1 9 PHE HB3 1 9 PHE QE 5.000 . 5.000 4.445 4.445 4.445 . 0 0 "[ ]" 1
22 1 9 PHE HB3 1 10 VAL H 0.000 . 5.000 4.356 4.356 4.356 . 0 0 "[ ]" 1
23 1 9 PHE QD 1 10 VAL H 5.000 . 5.000 3.025 3.025 3.025 . 0 0 "[ ]" 1
24 1 9 PHE QD 1 11 ASP H 5.000 . 5.000 4.397 4.397 4.397 . 0 0 "[ ]" 1
25 1 9 PHE QD 1 12 ASP QB 6.000 . 6.000 4.798 4.798 4.798 . 0 0 "[ ]" 1
26 1 9 PHE QD 1 36 ARG QD 6.000 . 6.000 3.262 3.262 3.262 . 0 0 "[ ]" 1
27 1 9 PHE QD 1 37 SER HA 5.000 . 5.000 3.291 3.291 3.291 . 0 0 "[ ]" 1
28 1 9 PHE QD 1 38 THR H 5.000 . 5.000 4.417 4.417 4.417 . 0 0 "[ ]" 1
29 1 9 PHE QE 1 10 VAL H 6.000 . 6.000 4.303 4.303 4.303 . 0 0 "[ ]" 1
30 1 9 PHE QE 1 10 VAL HA 6.000 . 6.000 4.650 4.650 4.650 . 0 0 "[ ]" 1
31 1 9 PHE QE 1 11 ASP H 5.000 . 5.000 3.707 3.707 3.707 . 0 0 "[ ]" 1
32 1 9 PHE QE 1 11 ASP HA 6.000 . 6.000 2.722 2.722 2.722 . 0 0 "[ ]" 1
33 1 9 PHE QE 1 11 ASP QB 5.000 . 5.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
34 1 9 PHE QE 1 12 ASP H 6.000 . 6.000 2.604 2.604 2.604 . 0 0 "[ ]" 1
35 1 9 PHE QE 1 36 ARG QD 6.000 . 6.000 4.772 4.772 4.772 . 0 0 "[ ]" 1
36 1 9 PHE QE 1 37 SER HA 5.000 . 5.000 2.797 2.797 2.797 . 0 0 "[ ]" 1
37 1 9 PHE QE 1 37 SER HB2 5.000 . 5.000 4.479 4.479 4.479 . 0 0 "[ ]" 1
38 1 9 PHE QE 1 37 SER HB3 6.000 . 6.000 4.530 4.530 4.530 . 0 0 "[ ]" 1
39 1 9 PHE QE 1 38 THR H 6.000 . 6.000 4.636 4.636 4.636 . 0 0 "[ ]" 1
40 1 9 PHE HZ 1 11 ASP H 0.000 . 5.000 3.987 3.987 3.987 . 0 0 "[ ]" 1
41 1 9 PHE HZ 1 11 ASP HA 0.000 . 5.000 1.804 1.804 1.804 . 0 0 "[ ]" 1
42 1 9 PHE HZ 1 11 ASP QB 0.000 . 5.000 3.247 3.247 3.247 . 0 0 "[ ]" 1
43 1 9 PHE HZ 1 12 ASP H 0.000 . 5.000 3.272 3.272 3.272 . 0 0 "[ ]" 1
44 1 9 PHE HZ 1 13 HIS QB 5.000 . 5.000 4.551 4.551 4.551 . 0 0 "[ ]" 1
45 1 9 PHE HZ 1 37 SER HA 5.000 . 5.000 4.412 4.412 4.412 . 0 0 "[ ]" 1
46 1 10 VAL H 1 10 VAL HB 3.500 . 3.500 2.838 2.838 2.838 . 0 0 "[ ]" 1
47 1 10 VAL H 1 11 ASP H 0.000 . 5.000 4.365 4.365 4.365 . 0 0 "[ ]" 1
48 1 10 VAL H 1 11 ASP HA 5.000 . 5.000 5.059 5.059 5.059 0.059 1 0 "[ ]" 1
49 1 10 VAL HA 1 11 ASP H 0.000 . 3.500 2.210 2.210 2.210 . 0 0 "[ ]" 1
50 1 10 VAL HA 1 11 ASP QB 0.000 . 5.000 4.077 4.077 4.077 . 0 0 "[ ]" 1
51 1 10 VAL HA 1 37 SER HA 0.000 . 5.000 3.249 3.249 3.249 . 0 0 "[ ]" 1
52 1 10 VAL HA 1 38 THR H 0.000 . 3.500 1.879 1.879 1.879 . 0 0 "[ ]" 1
53 1 10 VAL HB 1 11 ASP H 0.000 . 5.000 4.454 4.454 4.454 . 0 0 "[ ]" 1
54 1 10 VAL HB 1 38 THR H 0.000 . 5.000 4.065 4.065 4.065 . 0 0 "[ ]" 1
55 1 10 VAL QG 1 11 ASP H 5.000 . 5.000 2.778 2.778 2.778 . 0 0 "[ ]" 1
56 1 10 VAL QG 1 14 LEU HG 5.000 . 5.000 3.768 3.768 3.768 . 0 0 "[ ]" 1
57 1 10 VAL QG 1 38 THR MG 5.000 . 5.000 3.105 3.105 3.105 . 0 0 "[ ]" 1
58 1 11 ASP H 1 11 ASP HA 0.000 . 2.700 2.780 2.780 2.780 0.080 1 0 "[ ]" 1
59 1 11 ASP H 1 11 ASP QB 0.000 . 3.500 2.161 2.161 2.161 . 0 0 "[ ]" 1
60 1 11 ASP H 1 12 ASP H 0.000 . 5.000 4.380 4.380 4.380 . 0 0 "[ ]" 1
61 1 11 ASP H 1 14 LEU QD 0.000 . 5.000 3.014 3.014 3.014 . 0 0 "[ ]" 1
62 1 11 ASP H 1 37 SER H 0.000 . 5.000 5.043 5.043 5.043 0.043 1 0 "[ ]" 1
63 1 11 ASP H 1 37 SER HA 0.000 . 5.000 2.410 2.410 2.410 . 0 0 "[ ]" 1
64 1 11 ASP H 1 37 SER HB3 5.000 . 5.000 3.840 3.840 3.840 . 0 0 "[ ]" 1
65 1 11 ASP H 1 38 THR H 0.000 . 5.000 2.442 2.442 2.442 . 0 0 "[ ]" 1
66 1 11 ASP QB 1 12 ASP H 0.000 . 5.000 3.979 3.979 3.979 . 0 0 "[ ]" 1
67 1 11 ASP QB 1 13 HIS QB 6.000 . 6.000 4.078 4.078 4.078 . 0 0 "[ ]" 1
68 1 11 ASP QB 1 14 LEU H 0.000 . 5.000 2.992 2.992 2.992 . 0 0 "[ ]" 1
69 1 11 ASP QB 1 14 LEU QB 0.000 . 5.000 2.041 2.041 2.041 . 0 0 "[ ]" 1
70 1 11 ASP QB 1 14 LEU QD 5.000 . 5.000 2.056 2.056 2.056 . 0 0 "[ ]" 1
71 1 11 ASP QB 1 15 LEU H 5.000 . 5.000 4.278 4.278 4.278 . 0 0 "[ ]" 1
72 1 11 ASP QB 1 34 SER H 5.000 . 5.000 4.095 4.095 4.095 . 0 0 "[ ]" 1
73 1 12 ASP H 1 12 ASP HA 0.000 . 2.700 2.855 2.855 2.855 0.155 1 0 "[ ]" 1
74 1 12 ASP H 1 12 ASP QB 0.000 . 3.500 2.111 2.111 2.111 . 0 0 "[ ]" 1
75 1 12 ASP H 1 13 HIS H 0.000 . 3.500 2.506 2.506 2.506 . 0 0 "[ ]" 1
76 1 12 ASP H 1 13 HIS HA 5.000 . 5.000 5.154 5.154 5.154 0.154 1 0 "[ ]" 1
77 1 12 ASP H 1 13 HIS QB 5.000 . 5.000 4.023 4.023 4.023 . 0 0 "[ ]" 1
78 1 12 ASP H 1 14 LEU H 5.000 . 5.000 4.140 4.140 4.140 . 0 0 "[ ]" 1
79 1 12 ASP HA 1 13 HIS H 3.500 . 3.500 3.480 3.480 3.480 . 0 0 "[ ]" 1
80 1 12 ASP HA 1 14 LEU H 5.000 . 5.000 3.891 3.891 3.891 . 0 0 "[ ]" 1
81 1 12 ASP HA 1 15 LEU H 5.000 . 5.000 3.142 3.142 3.142 . 0 0 "[ ]" 1
82 1 12 ASP HA 1 15 LEU HB2 0.000 . 5.000 2.310 2.310 2.310 . 0 0 "[ ]" 1
83 1 12 ASP HA 1 16 GLU H 5.000 . 5.000 4.110 4.110 4.110 . 0 0 "[ ]" 1
84 1 12 ASP QB 1 13 HIS H 3.500 . 3.500 2.799 2.799 2.799 . 0 0 "[ ]" 1
85 1 12 ASP QB 1 13 HIS HA 5.000 . 5.000 4.037 4.037 4.037 . 0 0 "[ ]" 1
86 1 12 ASP QB 1 13 HIS QB 5.000 . 5.000 3.990 3.990 3.990 . 0 0 "[ ]" 1
87 1 13 HIS H 1 13 HIS QB 0.000 . 3.500 1.933 1.933 1.933 . 0 0 "[ ]" 1
88 1 13 HIS H 1 14 LEU QB 5.000 . 5.000 4.219 4.219 4.219 . 0 0 "[ ]" 1
89 1 13 HIS H 1 16 GLU QB 6.000 . 6.000 4.843 4.843 4.843 . 0 0 "[ ]" 1
90 1 13 HIS HA 1 14 LEU H 3.500 . 3.500 3.507 3.507 3.507 0.007 1 0 "[ ]" 1
91 1 13 HIS HA 1 16 GLU H 3.500 . 3.500 3.562 3.562 3.562 0.062 1 0 "[ ]" 1
92 1 13 HIS HA 1 17 LYS H 0.000 . 5.000 5.040 5.040 5.040 0.040 1 0 "[ ]" 1
93 1 13 HIS QB 1 14 LEU H 3.500 . 3.500 2.872 2.872 2.872 . 0 0 "[ ]" 1
94 1 13 HIS QB 1 14 LEU QB 5.000 . 5.000 3.783 3.783 3.783 . 0 0 "[ ]" 1
95 1 13 HIS QB 1 32 THR MG 6.000 . 6.000 3.950 3.950 3.950 . 0 0 "[ ]" 1
96 1 14 LEU H 1 14 LEU QB 0.000 . 3.500 2.023 2.023 2.023 . 0 0 "[ ]" 1
97 1 14 LEU H 1 14 LEU QD 0.000 . 5.000 3.352 3.352 3.352 . 0 0 "[ ]" 1
98 1 14 LEU H 1 14 LEU HG 0.000 . 3.500 3.134 3.134 3.134 . 0 0 "[ ]" 1
99 1 14 LEU H 1 15 LEU HA 5.000 . 5.000 5.068 5.068 5.068 0.068 1 0 "[ ]" 1
100 1 14 LEU H 1 15 LEU QD 5.000 . 5.000 3.413 3.413 3.413 . 0 0 "[ ]" 1
101 1 14 LEU H 1 17 LYS H 5.000 . 5.000 5.027 5.027 5.027 0.027 1 0 "[ ]" 1
102 1 14 LEU HA 1 15 LEU H 5.000 . 5.000 3.540 3.540 3.540 . 0 0 "[ ]" 1
103 1 14 LEU HA 1 16 GLU H 5.000 . 5.000 4.406 4.406 4.406 . 0 0 "[ ]" 1
104 1 14 LEU HA 1 18 VAL H 0.000 . 5.000 4.398 4.398 4.398 . 0 0 "[ ]" 1
105 1 14 LEU QB 1 15 LEU H 3.500 . 3.500 3.176 3.176 3.176 . 0 0 "[ ]" 1
106 1 14 LEU QD 1 15 LEU H 5.000 . 5.000 3.114 3.114 3.114 . 0 0 "[ ]" 1
107 1 14 LEU HG 1 15 LEU H 3.500 . 3.500 2.112 2.112 2.112 . 0 0 "[ ]" 1
108 1 14 LEU HG 1 18 VAL H 5.000 . 5.000 4.951 4.951 4.951 . 0 0 "[ ]" 1
109 1 15 LEU H 1 15 LEU HB2 0.000 . 3.500 2.078 2.078 2.078 . 0 0 "[ ]" 1
110 1 15 LEU H 1 15 LEU HB3 3.500 . 3.500 3.440 3.440 3.440 . 0 0 "[ ]" 1
111 1 15 LEU H 1 15 LEU QD 0.000 . 5.000 2.090 2.090 2.090 . 0 0 "[ ]" 1
112 1 15 LEU H 1 15 LEU HG 0.000 . 3.500 3.615 3.615 3.615 0.115 1 0 "[ ]" 1
113 1 15 LEU H 1 17 LYS H 5.000 . 5.000 4.045 4.045 4.045 . 0 0 "[ ]" 1
114 1 15 LEU H 1 18 VAL H 0.000 . 5.000 4.594 4.594 4.594 . 0 0 "[ ]" 1
115 1 15 LEU H 1 30 ILE MG 5.000 . 5.000 4.226 4.226 4.226 . 0 0 "[ ]" 1
116 1 15 LEU HA 1 15 LEU QD 0.000 . 3.500 2.686 2.686 2.686 . 0 0 "[ ]" 1
117 1 15 LEU HA 1 16 GLU H 5.000 . 5.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
118 1 15 LEU HA 1 17 LYS H 5.000 . 5.000 3.807 3.807 3.807 . 0 0 "[ ]" 1
119 1 15 LEU HA 1 18 VAL H 0.000 . 5.000 3.022 3.022 3.022 . 0 0 "[ ]" 1
120 1 15 LEU HA 1 18 VAL HB 5.000 . 5.000 2.830 2.830 2.830 . 0 0 "[ ]" 1
121 1 15 LEU HA 1 18 VAL QG 0.000 . 5.000 1.809 1.809 1.809 . 0 0 "[ ]" 1
122 1 15 LEU HA 1 19 LEU H 0.000 . 5.000 3.588 3.588 3.588 . 0 0 "[ ]" 1
123 1 15 LEU HB3 1 16 GLU H 0.000 . 3.500 3.217 3.217 3.217 . 0 0 "[ ]" 1
124 1 15 LEU QD 1 16 GLU H 5.000 . 5.000 3.795 3.795 3.795 . 0 0 "[ ]" 1
125 1 15 LEU QD 1 18 VAL QG 6.000 . 6.000 3.108 3.108 3.108 . 0 0 "[ ]" 1
126 1 15 LEU QD 1 42 GLU H 0.000 . 6.000 4.388 4.388 4.388 . 0 0 "[ ]" 1
127 1 15 LEU HG 1 16 GLU H 5.000 . 5.000 4.865 4.865 4.865 . 0 0 "[ ]" 1
128 1 15 LEU HG 1 18 VAL H 5.000 . 5.000 5.032 5.032 5.032 0.032 1 0 "[ ]" 1
129 1 15 LEU HG 1 19 LEU H 5.000 . 5.000 5.039 5.039 5.039 0.039 1 0 "[ ]" 1
130 1 16 GLU H 1 16 GLU QB 0.000 . 3.500 1.973 1.973 1.973 . 0 0 "[ ]" 1
131 1 16 GLU H 1 16 GLU QG 0.000 . 3.500 3.081 3.081 3.081 . 0 0 "[ ]" 1
132 1 16 GLU H 1 17 LYS H 0.000 . 3.500 2.766 2.766 2.766 . 0 0 "[ ]" 1
133 1 16 GLU H 1 18 VAL H 0.000 . 5.000 4.145 4.145 4.145 . 0 0 "[ ]" 1
134 1 16 GLU H 1 19 LEU H 0.000 . 5.000 4.993 4.993 4.993 . 0 0 "[ ]" 1
135 1 16 GLU HA 1 16 GLU QG 0.000 . 3.500 3.162 3.162 3.162 . 0 0 "[ ]" 1
136 1 16 GLU HA 1 17 LYS H 0.000 . 3.500 3.494 3.494 3.494 . 0 0 "[ ]" 1
137 1 16 GLU HA 1 18 VAL H 0.000 . 5.000 4.594 4.594 4.594 . 0 0 "[ ]" 1
138 1 16 GLU HA 1 19 LEU H 0.000 . 5.000 4.196 4.196 4.196 . 0 0 "[ ]" 1
139 1 16 GLU HA 1 19 LEU QB 5.000 . 5.000 4.161 4.161 4.161 . 0 0 "[ ]" 1
140 1 16 GLU HA 1 19 LEU HG 5.000 . 5.000 3.368 3.368 3.368 . 0 0 "[ ]" 1
141 1 16 GLU HA 1 20 GLU H 5.000 . 5.000 5.043 5.043 5.043 0.043 1 0 "[ ]" 1
142 1 16 GLU QB 1 17 LYS H 5.000 . 5.000 3.461 3.461 3.461 . 0 0 "[ ]" 1
143 1 16 GLU QG 1 17 LYS H 0.000 . 5.000 2.495 2.495 2.495 . 0 0 "[ ]" 1
144 1 16 GLU QG 1 18 VAL H 5.000 . 5.000 4.419 4.419 4.419 . 0 0 "[ ]" 1
145 1 17 LYS H 1 17 LYS HB2 0.000 . 3.500 2.214 2.214 2.214 . 0 0 "[ ]" 1
146 1 17 LYS H 1 17 LYS HB3 3.500 . 3.500 3.531 3.531 3.531 0.031 1 0 "[ ]" 1
147 1 17 LYS H 1 18 VAL H 0.000 . 3.500 2.147 2.147 2.147 . 0 0 "[ ]" 1
148 1 17 LYS H 1 18 VAL HB 5.000 . 5.000 4.045 4.045 4.045 . 0 0 "[ ]" 1
149 1 17 LYS H 1 18 VAL QG 0.000 . 5.000 3.776 3.776 3.776 . 0 0 "[ ]" 1
150 1 17 LYS H 1 19 LEU H 0.000 . 5.000 3.893 3.893 3.893 . 0 0 "[ ]" 1
151 1 17 LYS H 1 20 GLU H 0.000 . 5.000 4.828 4.828 4.828 . 0 0 "[ ]" 1
152 1 17 LYS H 1 30 ILE MG 5.000 . 5.000 3.401 3.401 3.401 . 0 0 "[ ]" 1
153 1 17 LYS HA 1 18 VAL H 0.000 . 5.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
154 1 17 LYS HA 1 20 GLU H 5.000 . 5.000 3.627 3.627 3.627 . 0 0 "[ ]" 1
155 1 17 LYS HB2 1 18 VAL H 0.000 . 3.500 2.887 2.887 2.887 . 0 0 "[ ]" 1
156 1 18 VAL H 1 18 VAL HB 0.000 . 3.500 2.181 2.181 2.181 . 0 0 "[ ]" 1
157 1 18 VAL H 1 18 VAL QG 0.000 . 3.500 2.406 2.406 2.406 . 0 0 "[ ]" 1
158 1 18 VAL H 1 19 LEU H 0.000 . 3.500 2.577 2.577 2.577 . 0 0 "[ ]" 1
159 1 18 VAL H 1 20 GLU H 0.000 . 5.000 3.908 3.908 3.908 . 0 0 "[ ]" 1
160 1 18 VAL H 1 30 ILE MG 5.000 . 5.000 3.298 3.298 3.298 . 0 0 "[ ]" 1
161 1 18 VAL HA 1 19 LEU H 0.000 . 5.000 3.563 3.563 3.563 . 0 0 "[ ]" 1
162 1 18 VAL HA 1 20 GLU H 0.000 . 5.000 3.943 3.943 3.943 . 0 0 "[ ]" 1
163 1 18 VAL HA 1 21 LEU H 0.000 . 5.000 3.024 3.024 3.024 . 0 0 "[ ]" 1
164 1 18 VAL HA 1 21 LEU QD 5.000 . 5.000 3.232 3.232 3.232 . 0 0 "[ ]" 1
165 1 18 VAL HA 1 22 ASN H 0.000 . 5.000 4.238 4.238 4.238 . 0 0 "[ ]" 1
166 1 18 VAL HB 1 19 LEU H 0.000 . 3.500 3.625 3.625 3.625 0.125 1 0 "[ ]" 1
167 1 18 VAL QG 1 19 LEU H 0.000 . 5.000 1.912 1.912 1.912 . 0 0 "[ ]" 1
168 1 18 VAL QG 1 19 LEU HA 5.000 . 5.000 2.856 2.856 2.856 . 0 0 "[ ]" 1
169 1 18 VAL QG 1 19 LEU QD 6.000 . 6.000 3.327 3.327 3.327 . 0 0 "[ ]" 1
170 1 18 VAL QG 1 19 LEU HG 0.000 . 5.000 3.719 3.719 3.719 . 0 0 "[ ]" 1
171 1 18 VAL QG 1 20 GLU H 0.000 . 6.000 3.831 3.831 3.831 . 0 0 "[ ]" 1
172 1 18 VAL QG 1 21 LEU H 0.000 . 5.000 3.831 3.831 3.831 . 0 0 "[ ]" 1
173 1 18 VAL QG 1 22 ASN H 0.000 . 6.000 3.809 3.809 3.809 . 0 0 "[ ]" 1
174 1 18 VAL QG 1 22 ASN HD21 6.000 . 6.000 2.226 2.226 2.226 . 0 0 "[ ]" 1
175 1 18 VAL QG 1 22 ASN HD22 0.000 . 5.000 2.375 2.375 2.375 . 0 0 "[ ]" 1
176 1 18 VAL QG 1 30 ILE HB 5.000 . 5.000 3.750 3.750 3.750 . 0 0 "[ ]" 1
177 1 18 VAL QG 1 42 GLU H 0.000 . 6.000 4.157 4.157 4.157 . 0 0 "[ ]" 1
178 1 18 VAL QG 1 42 GLU QG 5.000 . 5.000 3.317 3.317 3.317 . 0 0 "[ ]" 1
179 1 18 VAL QG 1 43 MET H 0.000 . 5.000 3.749 3.749 3.749 . 0 0 "[ ]" 1
180 1 18 VAL QG 1 43 MET HA 0.000 . 5.000 2.576 2.576 2.576 . 0 0 "[ ]" 1
181 1 18 VAL QG 1 46 HIS HB2 6.000 . 6.000 2.835 2.835 2.835 . 0 0 "[ ]" 1
182 1 18 VAL QG 1 46 HIS HD2 5.000 . 5.000 2.940 2.940 2.940 . 0 0 "[ ]" 1
183 1 19 LEU H 1 19 LEU QD 0.000 . 5.000 2.799 2.799 2.799 . 0 0 "[ ]" 1
184 1 19 LEU H 1 19 LEU HG 0.000 . 2.700 2.203 2.203 2.203 . 0 0 "[ ]" 1
185 1 19 LEU H 1 20 GLU H 0.000 . 3.500 2.547 2.547 2.547 . 0 0 "[ ]" 1
186 1 19 LEU H 1 20 GLU HA 0.000 . 5.000 5.225 5.225 5.225 0.225 1 0 "[ ]" 1
187 1 19 LEU H 1 20 GLU QB 0.000 . 5.000 4.126 4.126 4.126 . 0 0 "[ ]" 1
188 1 19 LEU H 1 21 LEU H 5.000 . 5.000 4.020 4.020 4.020 . 0 0 "[ ]" 1
189 1 19 LEU H 1 21 LEU HB2 5.000 . 5.000 5.045 5.045 5.045 0.045 1 0 "[ ]" 1
190 1 19 LEU H 1 22 ASN H 5.000 . 5.000 4.634 4.634 4.634 . 0 0 "[ ]" 1
191 1 19 LEU HA 1 20 GLU H 0.000 . 3.500 3.498 3.498 3.498 . 0 0 "[ ]" 1
192 1 19 LEU HA 1 22 ASN H 0.000 . 5.000 3.173 3.173 3.173 . 0 0 "[ ]" 1
193 1 19 LEU HA 1 22 ASN QB 5.000 . 5.000 2.235 2.235 2.235 . 0 0 "[ ]" 1
194 1 19 LEU HA 1 22 ASN HD22 5.000 . 5.000 4.296 4.296 4.296 . 0 0 "[ ]" 1
195 1 19 LEU QB 1 20 GLU H 0.000 . 5.000 3.520 3.520 3.520 . 0 0 "[ ]" 1
196 1 19 LEU QD 1 20 GLU H 0.000 . 5.000 2.610 2.610 2.610 . 0 0 "[ ]" 1
197 1 19 LEU HG 1 20 GLU H 0.000 . 3.500 1.972 1.972 1.972 . 0 0 "[ ]" 1
198 1 20 GLU H 1 20 GLU QB 0.000 . 3.500 1.950 1.950 1.950 . 0 0 "[ ]" 1
199 1 20 GLU H 1 20 GLU QG 0.000 . 5.000 3.519 3.519 3.519 . 0 0 "[ ]" 1
200 1 20 GLU H 1 22 ASN H 5.000 . 5.000 3.804 3.804 3.804 . 0 0 "[ ]" 1
201 1 20 GLU HA 1 22 ASN H 5.000 . 5.000 4.171 4.171 4.171 . 0 0 "[ ]" 1
202 1 20 GLU HA 1 23 ALA H 3.500 . 3.500 3.449 3.449 3.449 . 0 0 "[ ]" 1
203 1 20 GLU HA 1 23 ALA MB 5.000 . 5.000 2.578 2.578 2.578 . 0 0 "[ ]" 1
204 1 20 GLU QB 1 21 LEU H 3.500 . 3.500 2.723 2.723 2.723 . 0 0 "[ ]" 1
205 1 20 GLU QB 1 22 ASN H 0.000 . 5.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
206 1 20 GLU QG 1 21 LEU H 0.000 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
207 1 20 GLU QG 1 23 ALA MB 5.000 . 5.000 3.712 3.712 3.712 . 0 0 "[ ]" 1
208 1 21 LEU H 1 21 LEU HB2 0.000 . 3.500 2.270 2.270 2.270 . 0 0 "[ ]" 1
209 1 21 LEU H 1 21 LEU QD 0.000 . 3.500 2.636 2.636 2.636 . 0 0 "[ ]" 1
210 1 21 LEU H 1 22 ASN H 0.000 . 3.500 2.465 2.465 2.465 . 0 0 "[ ]" 1
211 1 21 LEU H 1 22 ASN QB 5.000 . 5.000 4.227 4.227 4.227 . 0 0 "[ ]" 1
212 1 21 LEU H 1 22 ASN HD21 5.000 . 5.000 4.314 4.314 4.314 . 0 0 "[ ]" 1
213 1 21 LEU HA 1 22 ASN H 0.000 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 1
214 1 21 LEU HA 1 22 ASN HD21 6.000 . 6.000 6.009 6.009 6.009 0.009 1 0 "[ ]" 1
215 1 21 LEU HA 1 24 LYS H 0.000 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
216 1 21 LEU HA 1 24 LYS QB 5.000 . 5.000 3.177 3.177 3.177 . 0 0 "[ ]" 1
217 1 21 LEU HA 1 26 GLU HA 6.000 . 6.000 4.969 4.969 4.969 . 0 0 "[ ]" 1
218 1 21 LEU HB2 1 22 ASN H 0.000 . 3.500 2.885 2.885 2.885 . 0 0 "[ ]" 1
219 1 21 LEU HB2 1 23 ALA H 5.000 . 5.000 4.922 4.922 4.922 . 0 0 "[ ]" 1
220 1 21 LEU HB3 1 28 ARG H 5.000 . 5.000 3.406 3.406 3.406 . 0 0 "[ ]" 1
221 1 21 LEU QD 1 25 GLY H 0.000 . 6.000 4.498 4.498 4.498 . 0 0 "[ ]" 1
222 1 21 LEU QD 1 26 GLU H 0.000 . 5.000 3.393 3.393 3.393 . 0 0 "[ ]" 1
223 1 21 LEU QD 1 27 LYS H 6.000 . 6.000 4.276 4.276 4.276 . 0 0 "[ ]" 1
224 1 21 LEU QD 1 28 ARG H 0.000 . 5.000 1.903 1.903 1.903 . 0 0 "[ ]" 1
225 1 21 LEU QD 1 29 LEU H 0.000 . 6.000 3.618 3.618 3.618 . 0 0 "[ ]" 1
226 1 22 ASN H 1 22 ASN QB 0.000 . 3.500 2.117 2.117 2.117 . 0 0 "[ ]" 1
227 1 22 ASN H 1 22 ASN HD21 0.000 . 5.000 2.945 2.945 2.945 . 0 0 "[ ]" 1
228 1 22 ASN H 1 22 ASN HD22 0.000 . 5.000 4.157 4.157 4.157 . 0 0 "[ ]" 1
229 1 22 ASN H 1 23 ALA H 0.000 . 3.500 2.357 2.357 2.357 . 0 0 "[ ]" 1
230 1 22 ASN H 1 23 ALA HA 5.000 . 5.000 5.026 5.026 5.026 0.026 1 0 "[ ]" 1
231 1 22 ASN H 1 23 ALA MB 0.000 . 5.000 3.921 3.921 3.921 . 0 0 "[ ]" 1
232 1 22 ASN H 1 24 LYS H 0.000 . 5.000 4.080 4.080 4.080 . 0 0 "[ ]" 1
233 1 22 ASN H 1 25 GLY H 0.000 . 5.000 4.423 4.423 4.423 . 0 0 "[ ]" 1
234 1 22 ASN HA 1 22 ASN HD22 5.000 . 5.000 4.261 4.261 4.261 . 0 0 "[ ]" 1
235 1 22 ASN HA 1 23 ALA H 0.000 . 5.000 3.469 3.469 3.469 . 0 0 "[ ]" 1
236 1 22 ASN HA 1 23 ALA HA 6.000 . 6.000 4.757 4.757 4.757 . 0 0 "[ ]" 1
237 1 22 ASN HA 1 24 LYS H 5.000 . 5.000 4.549 4.549 4.549 . 0 0 "[ ]" 1
238 1 22 ASN HA 1 25 GLY H 0.000 . 5.000 3.582 3.582 3.582 . 0 0 "[ ]" 1
239 1 22 ASN HA 1 25 GLY QA 5.000 . 5.000 3.483 3.483 3.483 . 0 0 "[ ]" 1
240 1 22 ASN HA 1 26 GLU H 0.000 . 5.000 4.783 4.783 4.783 . 0 0 "[ ]" 1
241 1 22 ASN QB 1 23 ALA H 0.000 . 3.500 2.994 2.994 2.994 . 0 0 "[ ]" 1
242 1 22 ASN QB 1 25 GLY H 6.000 . 6.000 4.995 4.995 4.995 . 0 0 "[ ]" 1
243 1 22 ASN HD21 1 42 GLU QB 5.000 . 5.000 3.009 3.009 3.009 . 0 0 "[ ]" 1
244 1 22 ASN HD21 1 42 GLU QG 5.000 . 5.000 3.954 3.954 3.954 . 0 0 "[ ]" 1
245 1 22 ASN HD22 1 42 GLU QB 5.000 . 5.000 2.891 2.891 2.891 . 0 0 "[ ]" 1
246 1 23 ALA H 1 23 ALA HA 0.000 . 2.700 2.912 2.912 2.912 0.212 1 0 "[ ]" 1
247 1 23 ALA H 1 23 ALA MB 0.000 . 3.500 2.149 2.149 2.149 . 0 0 "[ ]" 1
248 1 23 ALA H 1 24 LYS H 0.000 . 3.500 2.353 2.353 2.353 . 0 0 "[ ]" 1
249 1 23 ALA H 1 24 LYS HA 0.000 . 5.000 5.088 5.088 5.088 0.088 1 0 "[ ]" 1
250 1 23 ALA H 1 24 LYS QB 5.000 . 5.000 4.457 4.457 4.457 . 0 0 "[ ]" 1
251 1 23 ALA H 1 26 GLU H 0.000 . 5.000 5.005 5.005 5.005 0.005 1 0 "[ ]" 1
252 1 23 ALA HA 1 24 LYS H 0.000 . 5.000 3.560 3.560 3.560 . 0 0 "[ ]" 1
253 1 23 ALA HA 1 25 GLY H 0.000 . 5.000 4.448 4.448 4.448 . 0 0 "[ ]" 1
254 1 23 ALA MB 1 24 LYS H 0.000 . 5.000 2.469 2.469 2.469 . 0 0 "[ ]" 1
255 1 23 ALA MB 1 25 GLY H 0.000 . 5.000 4.229 4.229 4.229 . 0 0 "[ ]" 1
256 1 24 LYS H 1 24 LYS QD 0.000 . 5.000 3.420 3.420 3.420 . 0 0 "[ ]" 1
257 1 24 LYS H 1 24 LYS QE 0.000 . 6.000 3.588 3.588 3.588 . 0 0 "[ ]" 1
258 1 24 LYS H 1 24 LYS QG 3.500 . 3.500 2.096 2.096 2.096 . 0 0 "[ ]" 1
259 1 24 LYS H 1 25 GLY H 0.000 . 3.500 2.217 2.217 2.217 . 0 0 "[ ]" 1
260 1 24 LYS H 1 25 GLY QA 0.000 . 5.000 4.234 4.234 4.234 . 0 0 "[ ]" 1
261 1 24 LYS H 1 26 GLU H 0.000 . 3.500 3.605 3.605 3.605 0.105 1 0 "[ ]" 1
262 1 24 LYS H 1 26 GLU QG 6.000 . 6.000 5.183 5.183 5.183 . 0 0 "[ ]" 1
263 1 24 LYS HA 1 24 LYS QD 0.000 . 5.000 4.111 4.111 4.111 . 0 0 "[ ]" 1
264 1 24 LYS HA 1 25 GLY H 0.000 . 3.500 3.495 3.495 3.495 . 0 0 "[ ]" 1
265 1 24 LYS HA 1 26 GLU H 5.000 . 5.000 4.618 4.618 4.618 . 0 0 "[ ]" 1
266 1 24 LYS QB 1 25 GLY H 0.000 . 5.000 2.754 2.754 2.754 . 0 0 "[ ]" 1
267 1 24 LYS QD 1 25 GLY H 0.000 . 5.000 4.467 4.467 4.467 . 0 0 "[ ]" 1
268 1 24 LYS QE 1 25 GLY H 6.000 . 6.000 5.349 5.349 5.349 . 0 0 "[ ]" 1
269 1 24 LYS QG 1 25 GLY H 5.000 . 5.000 3.897 3.897 3.897 . 0 0 "[ ]" 1
270 1 24 LYS QG 1 26 GLU H 5.000 . 5.000 4.526 4.526 4.526 . 0 0 "[ ]" 1
271 1 25 GLY H 1 26 GLU H 5.000 . 5.000 2.202 2.202 2.202 . 0 0 "[ ]" 1
272 1 25 GLY H 1 26 GLU HA 0.000 . 5.000 4.960 4.960 4.960 . 0 0 "[ ]" 1
273 1 25 GLY H 1 26 GLU QG 5.000 . 5.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
274 1 25 GLY QA 1 26 GLU H 0.000 . 3.500 2.928 2.928 2.928 . 0 0 "[ ]" 1
275 1 25 GLY QA 1 26 GLU HA 0.000 . 5.000 4.154 4.154 4.154 . 0 0 "[ ]" 1
276 1 26 GLU H 1 26 GLU HB2 0.000 . 3.500 2.093 2.093 2.093 . 0 0 "[ ]" 1
277 1 26 GLU H 1 26 GLU QG 5.000 . 5.000 2.788 2.788 2.788 . 0 0 "[ ]" 1
278 1 26 GLU H 1 27 LYS H 0.000 . 5.000 4.571 4.571 4.571 . 0 0 "[ ]" 1
279 1 26 GLU HA 1 27 LYS H 0.000 . 3.500 2.206 2.206 2.206 . 0 0 "[ ]" 1
280 1 26 GLU HB2 1 27 LYS H 5.000 . 5.000 4.455 4.455 4.455 . 0 0 "[ ]" 1
281 1 26 GLU HB2 1 28 ARG H 5.000 . 5.000 4.646 4.646 4.646 . 0 0 "[ ]" 1
282 1 26 GLU HB3 1 27 LYS H 0.000 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 1
283 1 26 GLU QG 1 27 LYS H 0.000 . 5.000 3.826 3.826 3.826 . 0 0 "[ ]" 1
284 1 27 LYS H 1 27 LYS HB2 0.000 . 3.500 2.190 2.190 2.190 . 0 0 "[ ]" 1
285 1 27 LYS H 1 27 LYS HB3 3.500 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
286 1 27 LYS H 1 27 LYS QG 0.000 . 3.500 2.989 2.989 2.989 . 0 0 "[ ]" 1
287 1 27 LYS H 1 28 ARG H 0.000 . 5.000 3.731 3.731 3.731 . 0 0 "[ ]" 1
288 1 27 LYS HA 1 27 LYS QG 0.000 . 3.500 2.211 2.211 2.211 . 0 0 "[ ]" 1
289 1 27 LYS HA 1 28 ARG H 0.000 . 3.500 2.470 2.470 2.470 . 0 0 "[ ]" 1
290 1 27 LYS HB2 1 28 ARG H 5.000 . 5.000 4.553 4.553 4.553 . 0 0 "[ ]" 1
291 1 27 LYS QG 1 28 ARG H 0.000 . 5.000 4.371 4.371 4.371 . 0 0 "[ ]" 1
292 1 28 ARG H 1 28 ARG HB2 0.000 . 3.500 2.359 2.359 2.359 . 0 0 "[ ]" 1
293 1 28 ARG H 1 28 ARG QG 0.000 . 5.000 4.011 4.011 4.011 . 0 0 "[ ]" 1
294 1 28 ARG H 1 29 LEU H 5.000 . 5.000 4.248 4.248 4.248 . 0 0 "[ ]" 1
295 1 28 ARG H 1 29 LEU HA 5.000 . 5.000 5.024 5.024 5.024 0.024 1 0 "[ ]" 1
296 1 28 ARG H 1 30 ILE MD 6.000 . 6.000 4.398 4.398 4.398 . 0 0 "[ ]" 1
297 1 28 ARG HA 1 28 ARG QD 0.000 . 5.000 3.342 3.342 3.342 . 0 0 "[ ]" 1
298 1 28 ARG HA 1 29 LEU H 0.000 . 3.500 2.929 2.929 2.929 . 0 0 "[ ]" 1
299 1 28 ARG HA 1 29 LEU HA 5.000 . 5.000 4.522 4.522 4.522 . 0 0 "[ ]" 1
300 1 28 ARG HA 1 29 LEU QB 0.000 . 5.000 4.038 4.038 4.038 . 0 0 "[ ]" 1
301 1 28 ARG HA 1 29 LEU QD 6.000 . 6.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
302 1 28 ARG HB2 1 29 LEU H 3.500 . 3.500 3.545 3.545 3.545 0.045 1 0 "[ ]" 1
303 1 28 ARG HB3 1 29 LEU H 0.000 . 3.500 2.122 2.122 2.122 . 0 0 "[ ]" 1
304 1 28 ARG QD 1 29 LEU H 0.000 . 5.000 4.200 4.200 4.200 . 0 0 "[ ]" 1
305 1 29 LEU H 1 29 LEU QB 0.000 . 3.500 2.597 2.597 2.597 . 0 0 "[ ]" 1
306 1 29 LEU H 1 29 LEU QD 0.000 . 5.000 2.085 2.085 2.085 . 0 0 "[ ]" 1
307 1 29 LEU H 1 30 ILE H 0.000 . 5.000 4.528 4.528 4.528 . 0 0 "[ ]" 1
308 1 29 LEU H 1 47 THR HB 0.000 . 5.000 5.045 5.045 5.045 0.045 1 0 "[ ]" 1
309 1 29 LEU HA 1 30 ILE H 3.500 . 3.500 2.315 2.315 2.315 . 0 0 "[ ]" 1
310 1 29 LEU HA 1 47 THR HB 5.000 . 5.000 3.102 3.102 3.102 . 0 0 "[ ]" 1
311 1 29 LEU QB 1 30 ILE H 0.000 . 5.000 2.974 2.974 2.974 . 0 0 "[ ]" 1
312 1 29 LEU QD 1 30 ILE H 5.000 . 5.000 3.533 3.533 3.533 . 0 0 "[ ]" 1
313 1 29 LEU QD 1 31 LYS HA 5.000 . 5.000 3.719 3.719 3.719 . 0 0 "[ ]" 1
314 1 29 LEU QD 1 49 ALA H 0.000 . 5.000 3.494 3.494 3.494 . 0 0 "[ ]" 1
315 1 29 LEU HG 1 30 ILE H 0.000 . 3.500 3.535 3.535 3.535 0.035 1 0 "[ ]" 1
316 1 29 LEU HG 1 31 LYS H 5.000 . 5.000 4.053 4.053 4.053 . 0 0 "[ ]" 1
317 1 29 LEU HG 1 47 THR HB 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
318 1 29 LEU HG 1 49 ALA H 6.000 . 6.000 5.083 5.083 5.083 . 0 0 "[ ]" 1
319 1 30 ILE H 1 30 ILE HB 0.000 . 3.500 2.550 2.550 2.550 . 0 0 "[ ]" 1
320 1 30 ILE H 1 30 ILE MD 0.000 . 5.000 2.744 2.744 2.744 . 0 0 "[ ]" 1
321 1 30 ILE H 1 30 ILE QG 0.000 . 3.500 3.156 3.156 3.156 . 0 0 "[ ]" 1
322 1 30 ILE H 1 31 LYS H 0.000 . 5.000 4.209 4.209 4.209 . 0 0 "[ ]" 1
323 1 30 ILE H 1 31 LYS QD 5.000 . 5.000 4.456 4.456 4.456 . 0 0 "[ ]" 1
324 1 30 ILE H 1 46 HIS HB3 5.000 . 5.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
325 1 30 ILE H 1 47 THR H 0.000 . 5.000 4.051 4.051 4.051 . 0 0 "[ ]" 1
326 1 30 ILE H 1 47 THR HB 0.000 . 5.000 4.339 4.339 4.339 . 0 0 "[ ]" 1
327 1 30 ILE H 1 48 ILE H 0.000 . 5.000 4.052 4.052 4.052 . 0 0 "[ ]" 1
328 1 30 ILE H 1 48 ILE HA 0.000 . 5.000 1.893 1.893 1.893 . 0 0 "[ ]" 1
329 1 30 ILE H 1 48 ILE QG 0.000 . 3.500 2.542 2.542 2.542 . 0 0 "[ ]" 1
330 1 30 ILE H 1 49 ALA H 0.000 . 5.000 3.270 3.270 3.270 . 0 0 "[ ]" 1
331 1 30 ILE H 1 49 ALA MB 6.000 . 6.000 4.613 4.613 4.613 . 0 0 "[ ]" 1
332 1 30 ILE HA 1 31 LYS H 0.000 . 2.700 2.214 2.214 2.214 . 0 0 "[ ]" 1
333 1 30 ILE HB 1 49 ALA H 0.000 . 5.000 4.277 4.277 4.277 . 0 0 "[ ]" 1
334 1 30 ILE MD 1 46 HIS HB2 0.000 . 5.000 2.738 2.738 2.738 . 0 0 "[ ]" 1
335 1 30 ILE MD 1 47 THR H 0.000 . 6.000 3.693 3.693 3.693 . 0 0 "[ ]" 1
336 1 30 ILE MD 1 48 ILE HA 6.000 . 6.000 3.554 3.554 3.554 . 0 0 "[ ]" 1
337 1 30 ILE QG 1 31 LYS H 5.000 . 5.000 4.273 4.273 4.273 . 0 0 "[ ]" 1
338 1 30 ILE MG 1 31 LYS H 3.500 . 3.500 2.944 2.944 2.944 . 0 0 "[ ]" 1
339 1 31 LYS H 1 31 LYS QB 0.000 . 3.500 2.183 2.183 2.183 . 0 0 "[ ]" 1
340 1 31 LYS H 1 31 LYS QD 0.000 . 3.500 2.206 2.206 2.206 . 0 0 "[ ]" 1
341 1 31 LYS H 1 31 LYS QG 3.500 . 3.500 3.119 3.119 3.119 . 0 0 "[ ]" 1
342 1 31 LYS H 1 49 ALA H 5.000 . 5.000 4.329 4.329 4.329 . 0 0 "[ ]" 1
343 1 31 LYS HA 1 32 THR H 0.000 . 3.500 2.341 2.341 2.341 . 0 0 "[ ]" 1
344 1 31 LYS HA 1 49 ALA H 0.000 . 5.000 2.594 2.594 2.594 . 0 0 "[ ]" 1
345 1 31 LYS HA 1 49 ALA HA 0.000 . 6.000 4.472 4.472 4.472 . 0 0 "[ ]" 1
346 1 31 LYS HA 1 49 ALA MB 0.000 . 5.000 1.762 1.762 1.762 . 0 0 "[ ]" 1
347 1 31 LYS HA 1 50 VAL HA 6.000 . 6.000 5.558 5.558 5.558 . 0 0 "[ ]" 1
348 1 31 LYS QB 1 32 THR H 0.000 . 5.000 2.730 2.730 2.730 . 0 0 "[ ]" 1
349 1 32 THR H 1 33 TRP H 0.000 . 5.000 4.430 4.430 4.430 . 0 0 "[ ]" 1
350 1 32 THR H 1 49 ALA H 0.000 . 5.000 4.200 4.200 4.200 . 0 0 "[ ]" 1
351 1 32 THR H 1 49 ALA MB 0.000 . 5.000 2.778 2.778 2.778 . 0 0 "[ ]" 1
352 1 32 THR H 1 50 VAL HA 0.000 . 5.000 4.475 4.475 4.475 . 0 0 "[ ]" 1
353 1 32 THR H 1 51 TYR H 0.000 . 5.000 4.490 4.490 4.490 . 0 0 "[ ]" 1
354 1 32 THR H 1 56 HIS HB3 5.000 . 5.000 2.865 2.865 2.865 . 0 0 "[ ]" 1
355 1 32 THR HA 1 33 TRP H 0.000 . 3.500 2.330 2.330 2.330 . 0 0 "[ ]" 1
356 1 32 THR HA 1 33 TRP HE3 0.000 . 5.000 3.379 3.379 3.379 . 0 0 "[ ]" 1
357 1 32 THR HA 1 34 SER H 0.000 . 5.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
358 1 32 THR HB 1 33 TRP H 0.000 . 5.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
359 1 32 THR HB 1 34 SER H 0.000 . 5.000 4.733 4.733 4.733 . 0 0 "[ ]" 1
360 1 32 THR MG 1 33 TRP H 6.000 . 6.000 2.227 2.227 2.227 . 0 0 "[ ]" 1
361 1 32 THR MG 1 34 SER H 0.000 . 5.000 2.332 2.332 2.332 . 0 0 "[ ]" 1
362 1 32 THR MG 1 35 ARG H 6.000 . 6.000 4.204 4.204 4.204 . 0 0 "[ ]" 1
363 1 32 THR MG 1 51 TYR H 5.000 . 5.000 1.870 1.870 1.870 . 0 0 "[ ]" 1
364 1 33 TRP H 1 33 TRP HD1 6.000 . 6.000 4.916 4.916 4.916 . 0 0 "[ ]" 1
365 1 33 TRP H 1 33 TRP HE3 0.000 . 5.000 2.543 2.543 2.543 . 0 0 "[ ]" 1
366 1 33 TRP HA 1 33 TRP HD1 0.000 . 5.000 3.328 3.328 3.328 . 0 0 "[ ]" 1
367 1 33 TRP HA 1 33 TRP HE3 5.000 . 5.000 4.581 4.581 4.581 . 0 0 "[ ]" 1
368 1 33 TRP HA 1 51 TYR H 5.000 . 5.000 4.482 4.482 4.482 . 0 0 "[ ]" 1
369 1 33 TRP HA 1 51 TYR QB 0.000 . 5.000 2.042 2.042 2.042 . 0 0 "[ ]" 1
370 1 33 TRP HB2 1 34 SER H 0.000 . 5.000 4.276 4.276 4.276 . 0 0 "[ ]" 1
371 1 33 TRP HB3 1 33 TRP HE1 5.000 . 5.000 4.765 4.765 4.765 . 0 0 "[ ]" 1
372 1 33 TRP HD1 1 51 TYR QB 0.000 . 5.000 4.530 4.530 4.530 . 0 0 "[ ]" 1
373 1 33 TRP HD1 1 51 TYR QD 5.000 . 5.000 3.427 3.427 3.427 . 0 0 "[ ]" 1
374 1 33 TRP HD1 1 51 TYR QE 0.000 . 6.000 3.835 3.835 3.835 . 0 0 "[ ]" 1
375 1 33 TRP HE1 1 51 TYR QD 6.000 . 6.000 5.355 5.355 5.355 . 0 0 "[ ]" 1
376 1 33 TRP HE3 1 34 SER H 0.000 . 5.000 5.034 5.034 5.034 0.034 1 0 "[ ]" 1
377 1 33 TRP HE3 1 51 TYR QB 6.000 . 6.000 5.409 5.409 5.409 . 0 0 "[ ]" 1
378 1 34 SER H 1 35 ARG H 0.000 . 5.000 3.245 3.245 3.245 . 0 0 "[ ]" 1
379 1 34 SER HA 1 35 ARG H 3.500 . 3.500 3.516 3.516 3.516 0.016 1 0 "[ ]" 1
380 1 35 ARG H 1 36 ARG H 0.000 . 5.000 2.560 2.560 2.560 . 0 0 "[ ]" 1
381 1 35 ARG H 1 37 SER H 0.000 . 5.000 2.561 2.561 2.561 . 0 0 "[ ]" 1
382 1 35 ARG H 1 37 SER HA 0.000 . 5.000 4.203 4.203 4.203 . 0 0 "[ ]" 1
383 1 35 ARG HA 1 37 SER H 5.000 . 5.000 4.036 4.036 4.036 . 0 0 "[ ]" 1
384 1 35 ARG HA 1 51 TYR QE 5.000 . 5.000 3.178 3.178 3.178 . 0 0 "[ ]" 1
385 1 35 ARG QB 1 37 SER H 5.000 . 5.000 4.163 4.163 4.163 . 0 0 "[ ]" 1
386 1 36 ARG H 1 37 SER H 0.000 . 5.000 2.808 2.808 2.808 . 0 0 "[ ]" 1
387 1 36 ARG HA 1 37 SER H 5.000 . 5.000 3.012 3.012 3.012 . 0 0 "[ ]" 1
388 1 36 ARG QD 1 37 SER H 6.000 . 6.000 4.956 4.956 4.956 . 0 0 "[ ]" 1
389 1 36 ARG QG 1 37 SER H 5.000 . 5.000 4.423 4.423 4.423 . 0 0 "[ ]" 1
390 1 37 SER H 1 37 SER HB2 0.000 . 3.500 2.407 2.407 2.407 . 0 0 "[ ]" 1
391 1 37 SER H 1 37 SER HB3 0.000 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
392 1 37 SER H 1 38 THR H 0.000 . 5.000 4.523 4.523 4.523 . 0 0 "[ ]" 1
393 1 37 SER HA 1 38 THR H 0.000 . 3.500 2.172 2.172 2.172 . 0 0 "[ ]" 1
394 1 37 SER HB2 1 38 THR H 5.000 . 5.000 4.399 4.399 4.399 . 0 0 "[ ]" 1
395 1 37 SER HB2 1 51 TYR H 3.500 . 3.500 2.598 2.598 2.598 . 0 0 "[ ]" 1
396 1 37 SER HB2 1 52 ASN H 5.000 . 5.000 4.907 4.907 4.907 . 0 0 "[ ]" 1
397 1 37 SER HB2 1 53 GLY H 5.000 . 5.000 5.070 5.070 5.070 0.070 1 0 "[ ]" 1
398 1 38 THR H 1 38 THR HB 0.000 . 3.500 2.440 2.440 2.440 . 0 0 "[ ]" 1
399 1 38 THR H 1 50 VAL HB 5.000 . 5.000 5.015 5.015 5.015 0.015 1 0 "[ ]" 1
400 1 38 THR H 1 69 LYS HA 5.000 . 5.000 4.932 4.932 4.932 . 0 0 "[ ]" 1
401 1 38 THR HA 1 38 THR MG 0.000 . 3.500 2.461 2.461 2.461 . 0 0 "[ ]" 1
402 1 38 THR HA 1 69 LYS HA 0.000 . 3.500 1.937 1.937 1.937 . 0 0 "[ ]" 1
403 1 38 THR HB 1 39 ILE H 5.000 . 5.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
404 1 38 THR HB 1 69 LYS HA 0.000 . 5.000 4.653 4.653 4.653 . 0 0 "[ ]" 1
405 1 38 THR MG 1 39 ILE H 5.000 . 5.000 1.893 1.893 1.893 . 0 0 "[ ]" 1
406 1 38 THR MG 1 40 VAL H 0.000 . 6.000 4.809 4.809 4.809 . 0 0 "[ ]" 1
407 1 38 THR MG 1 67 GLY H 0.000 . 5.000 3.386 3.386 3.386 . 0 0 "[ ]" 1
408 1 38 THR MG 1 67 GLY QA 5.000 . 5.000 3.731 3.731 3.731 . 0 0 "[ ]" 1
409 1 38 THR MG 1 68 HIS H 0.000 . 5.000 3.362 3.362 3.362 . 0 0 "[ ]" 1
410 1 38 THR MG 1 69 LYS H 0.000 . 6.000 3.762 3.762 3.762 . 0 0 "[ ]" 1
411 1 38 THR MG 1 69 LYS HA 5.000 . 5.000 2.724 2.724 2.724 . 0 0 "[ ]" 1
412 1 38 THR MG 1 70 LEU H 6.000 . 6.000 5.073 5.073 5.073 . 0 0 "[ ]" 1
413 1 39 ILE H 1 39 ILE HB 0.000 . 3.500 2.404 2.404 2.404 . 0 0 "[ ]" 1
414 1 39 ILE H 1 39 ILE MD 0.000 . 5.000 1.895 1.895 1.895 . 0 0 "[ ]" 1
415 1 39 ILE H 1 39 ILE QG 0.000 . 3.500 2.795 2.795 2.795 . 0 0 "[ ]" 1
416 1 39 ILE H 1 40 VAL H 0.000 . 5.000 4.633 4.633 4.633 . 0 0 "[ ]" 1
417 1 39 ILE H 1 66 VAL HA 0.000 . 5.000 4.368 4.368 4.368 . 0 0 "[ ]" 1
418 1 39 ILE H 1 67 GLY H 0.000 . 5.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
419 1 39 ILE H 1 68 HIS H 0.000 . 5.000 3.935 3.935 3.935 . 0 0 "[ ]" 1
420 1 39 ILE H 1 69 LYS H 0.000 . 5.000 3.994 3.994 3.994 . 0 0 "[ ]" 1
421 1 39 ILE H 1 69 LYS HA 0.000 . 3.500 2.442 2.442 2.442 . 0 0 "[ ]" 1
422 1 39 ILE H 1 70 LEU H 0.000 . 5.000 5.213 5.213 5.213 0.213 1 0 "[ ]" 1
423 1 39 ILE HA 1 40 VAL H 0.000 . 2.700 2.416 2.416 2.416 . 0 0 "[ ]" 1
424 1 39 ILE HB 1 40 VAL H 3.500 . 3.500 3.600 3.600 3.600 0.100 1 0 "[ ]" 1
425 1 39 ILE HB 1 67 GLY H 0.000 . 3.500 2.528 2.528 2.528 . 0 0 "[ ]" 1
426 1 39 ILE HB 1 68 HIS H 3.500 . 3.500 3.500 3.500 3.500 0.000 1 0 "[ ]" 1
427 1 39 ILE HB 1 73 PHE HZ 5.000 . 5.000 2.872 2.872 2.872 . 0 0 "[ ]" 1
428 1 39 ILE MD 1 66 VAL HA 5.000 . 5.000 2.931 2.931 2.931 . 0 0 "[ ]" 1
429 1 39 ILE MD 1 67 GLY H 0.000 . 5.000 3.464 3.464 3.464 . 0 0 "[ ]" 1
430 1 39 ILE MD 1 68 HIS H 0.000 . 3.500 2.955 2.955 2.955 . 0 0 "[ ]" 1
431 1 39 ILE MD 1 69 LYS H 6.000 . 6.000 2.537 2.537 2.537 . 0 0 "[ ]" 1
432 1 39 ILE MD 1 70 LEU HA 5.000 . 5.000 2.778 2.778 2.778 . 0 0 "[ ]" 1
433 1 39 ILE MD 1 73 PHE QD 0.000 . 6.000 3.268 3.268 3.268 . 0 0 "[ ]" 1
434 1 39 ILE MD 1 73 PHE QE 5.000 . 5.000 1.787 1.787 1.787 . 0 0 "[ ]" 1
435 1 39 ILE MG 1 40 VAL H 0.000 . 3.500 1.852 1.852 1.852 . 0 0 "[ ]" 1
436 1 39 ILE MG 1 43 MET H 5.000 . 5.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
437 1 39 ILE MG 1 61 ILE MD 3.500 . 3.500 2.024 2.024 2.024 . 0 0 "[ ]" 1
438 1 39 ILE MG 1 66 VAL H 0.000 . 5.000 3.699 3.699 3.699 . 0 0 "[ ]" 1
439 1 39 ILE MG 1 66 VAL HA 0.000 . 5.000 2.347 2.347 2.347 . 0 0 "[ ]" 1
440 1 39 ILE MG 1 67 GLY H 0.000 . 5.000 3.455 3.455 3.455 . 0 0 "[ ]" 1
441 1 40 VAL H 1 40 VAL QG 0.000 . 3.500 2.049 2.049 2.049 . 0 0 "[ ]" 1
442 1 40 VAL H 1 41 PRO QD 0.000 . 5.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
443 1 40 VAL H 1 43 MET H 5.000 . 5.000 3.560 3.560 3.560 . 0 0 "[ ]" 1
444 1 40 VAL H 1 43 MET HA 5.000 . 5.000 5.027 5.027 5.027 0.027 1 0 "[ ]" 1
445 1 40 VAL H 1 43 MET QB 5.000 . 5.000 2.640 2.640 2.640 . 0 0 "[ ]" 1
446 1 40 VAL H 1 43 MET QG 5.000 . 5.000 1.898 1.898 1.898 . 0 0 "[ ]" 1
447 1 40 VAL HA 1 41 PRO HA 0.000 . 5.000 4.342 4.342 4.342 . 0 0 "[ ]" 1
448 1 40 VAL HA 1 41 PRO QB 5.000 . 5.000 4.657 4.657 4.657 . 0 0 "[ ]" 1
449 1 40 VAL HA 1 41 PRO QD 0.000 . 3.500 2.329 2.329 2.329 . 0 0 "[ ]" 1
450 1 40 VAL HA 1 41 PRO QG 0.000 . 5.000 4.231 4.231 4.231 . 0 0 "[ ]" 1
451 1 40 VAL HA 1 42 GLU H 0.000 . 5.000 4.416 4.416 4.416 . 0 0 "[ ]" 1
452 1 40 VAL HA 1 43 MET H 0.000 . 5.000 4.783 4.783 4.783 . 0 0 "[ ]" 1
453 1 40 VAL HA 1 67 GLY H 5.000 . 5.000 4.200 4.200 4.200 . 0 0 "[ ]" 1
454 1 40 VAL HB 1 41 PRO HA 5.000 . 5.000 4.593 4.593 4.593 . 0 0 "[ ]" 1
455 1 40 VAL HB 1 41 PRO QB 5.000 . 5.000 4.534 4.534 4.534 . 0 0 "[ ]" 1
456 1 40 VAL HB 1 41 PRO QD 0.000 . 3.500 1.880 1.880 1.880 . 0 0 "[ ]" 1
457 1 40 VAL HB 1 41 PRO QG 0.000 . 5.000 3.332 3.332 3.332 . 0 0 "[ ]" 1
458 1 40 VAL HB 1 42 GLU H 0.000 . 5.000 2.379 2.379 2.379 . 0 0 "[ ]" 1
459 1 40 VAL HB 1 42 GLU HA 5.000 . 5.000 5.090 5.090 5.090 0.090 1 0 "[ ]" 1
460 1 40 VAL HB 1 43 MET H 0.000 . 5.000 3.587 3.587 3.587 . 0 0 "[ ]" 1
461 1 40 VAL QG 1 41 PRO QD 5.000 . 5.000 1.784 1.784 1.784 . 0 0 "[ ]" 1
462 1 40 VAL QG 1 42 GLU H 0.000 . 5.000 3.367 3.367 3.367 . 0 0 "[ ]" 1
463 1 40 VAL QG 1 43 MET H 5.000 . 5.000 3.445 3.445 3.445 . 0 0 "[ ]" 1
464 1 41 PRO HA 1 42 GLU H 0.000 . 5.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
465 1 41 PRO HA 1 43 MET H 3.500 . 3.500 3.601 3.601 3.601 0.101 1 0 "[ ]" 1
466 1 41 PRO HA 1 44 VAL H 5.000 . 5.000 3.847 3.847 3.847 . 0 0 "[ ]" 1
467 1 41 PRO QB 1 41 PRO QD 0.000 . 3.500 2.716 2.716 2.716 . 0 0 "[ ]" 1
468 1 41 PRO QB 1 42 GLU H 0.000 . 3.500 3.190 3.190 3.190 . 0 0 "[ ]" 1
469 1 41 PRO QD 1 42 GLU H 0.000 . 5.000 2.714 2.714 2.714 . 0 0 "[ ]" 1
470 1 41 PRO QG 1 42 GLU H 0.000 . 5.000 2.364 2.364 2.364 . 0 0 "[ ]" 1
471 1 42 GLU H 1 42 GLU QB 0.000 . 3.500 2.043 2.043 2.043 . 0 0 "[ ]" 1
472 1 42 GLU H 1 42 GLU QG 0.000 . 3.500 2.861 2.861 2.861 . 0 0 "[ ]" 1
473 1 42 GLU H 1 43 MET H 0.000 . 3.500 2.676 2.676 2.676 . 0 0 "[ ]" 1
474 1 42 GLU H 1 44 VAL H 0.000 . 5.000 4.407 4.407 4.407 . 0 0 "[ ]" 1
475 1 42 GLU H 1 44 VAL QG 6.000 . 6.000 4.543 4.543 4.543 . 0 0 "[ ]" 1
476 1 42 GLU HA 1 43 MET H 0.000 . 3.500 3.426 3.426 3.426 . 0 0 "[ ]" 1
477 1 42 GLU HA 1 44 VAL H 0.000 . 5.000 3.713 3.713 3.713 . 0 0 "[ ]" 1
478 1 42 GLU QB 1 43 MET H 5.000 . 5.000 3.178 3.178 3.178 . 0 0 "[ ]" 1
479 1 42 GLU QB 1 44 VAL H 6.000 . 6.000 4.676 4.676 4.676 . 0 0 "[ ]" 1
480 1 43 MET H 1 43 MET QB 3.500 . 3.500 2.467 2.467 2.467 . 0 0 "[ ]" 1
481 1 43 MET H 1 43 MET QG 0.000 . 5.000 2.114 2.114 2.114 . 0 0 "[ ]" 1
482 1 43 MET H 1 44 VAL H 0.000 . 3.500 2.494 2.494 2.494 . 0 0 "[ ]" 1
483 1 43 MET H 1 44 VAL HA 0.000 . 5.000 4.823 4.823 4.823 . 0 0 "[ ]" 1
484 1 43 MET H 1 44 VAL QG 5.000 . 5.000 3.687 3.687 3.687 . 0 0 "[ ]" 1
485 1 43 MET H 1 46 HIS HD2 0.000 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
486 1 43 MET HA 1 44 VAL H 0.000 . 3.500 3.343 3.343 3.343 . 0 0 "[ ]" 1
487 1 43 MET HA 1 45 GLY H 6.000 . 6.000 3.232 3.232 3.232 . 0 0 "[ ]" 1
488 1 43 MET HA 1 46 HIS H 5.000 . 5.000 3.643 3.643 3.643 . 0 0 "[ ]" 1
489 1 43 MET QB 1 44 VAL H 0.000 . 5.000 3.345 3.345 3.345 . 0 0 "[ ]" 1
490 1 43 MET QG 1 44 VAL H 5.000 . 5.000 4.259 4.259 4.259 . 0 0 "[ ]" 1
491 1 44 VAL H 1 44 VAL HB 0.000 . 2.700 2.429 2.429 2.429 . 0 0 "[ ]" 1
492 1 44 VAL H 1 44 VAL QG 0.000 . 3.500 1.893 1.893 1.893 . 0 0 "[ ]" 1
493 1 44 VAL H 1 45 GLY H 0.000 . 5.000 3.045 3.045 3.045 . 0 0 "[ ]" 1
494 1 44 VAL H 1 46 HIS HD2 5.000 . 5.000 3.654 3.654 3.654 . 0 0 "[ ]" 1
495 1 44 VAL H 1 63 GLU HA 0.000 . 5.000 5.090 5.090 5.090 0.090 1 0 "[ ]" 1
496 1 44 VAL HA 1 45 GLY H 0.000 . 3.500 3.388 3.388 3.388 . 0 0 "[ ]" 1
497 1 44 VAL HA 1 45 GLY QA 5.000 . 5.000 4.215 4.215 4.215 . 0 0 "[ ]" 1
498 1 44 VAL HA 1 46 HIS H 0.000 . 5.000 4.379 4.379 4.379 . 0 0 "[ ]" 1
499 1 44 VAL HA 1 46 HIS HD2 0.000 . 5.000 5.037 5.037 5.037 0.037 1 0 "[ ]" 1
500 1 44 VAL HA 1 61 ILE H 5.000 . 5.000 5.091 5.091 5.091 0.091 1 0 "[ ]" 1
501 1 44 VAL HA 1 61 ILE HA 5.000 . 5.000 4.760 4.760 4.760 . 0 0 "[ ]" 1
502 1 44 VAL HA 1 61 ILE HB 0.000 . 3.500 3.507 3.507 3.507 0.007 1 0 "[ ]" 1
503 1 44 VAL HA 1 61 ILE MG 3.500 . 3.500 2.731 2.731 2.731 . 0 0 "[ ]" 1
504 1 44 VAL HA 1 62 THR H 5.000 . 5.000 3.912 3.912 3.912 . 0 0 "[ ]" 1
505 1 44 VAL HA 1 62 THR HA 6.000 . 6.000 2.823 2.823 2.823 . 0 0 "[ ]" 1
506 1 44 VAL HA 1 63 GLU HA 0.000 . 5.000 3.655 3.655 3.655 . 0 0 "[ ]" 1
507 1 44 VAL HB 1 45 GLY H 0.000 . 5.000 4.442 4.442 4.442 . 0 0 "[ ]" 1
508 1 44 VAL QG 1 45 GLY H 0.000 . 5.000 2.749 2.749 2.749 . 0 0 "[ ]" 1
509 1 44 VAL QG 1 46 HIS HD2 0.000 . 6.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
510 1 44 VAL QG 1 62 THR HA 5.000 . 5.000 2.558 2.558 2.558 . 0 0 "[ ]" 1
511 1 44 VAL QG 1 63 GLU H 0.000 . 3.500 2.603 2.603 2.603 . 0 0 "[ ]" 1
512 1 44 VAL QG 1 64 ASN H 6.000 . 6.000 4.257 4.257 4.257 . 0 0 "[ ]" 1
513 1 45 GLY H 1 46 HIS H 0.000 . 3.500 2.270 2.270 2.270 . 0 0 "[ ]" 1
514 1 45 GLY H 1 46 HIS HD2 6.000 . 6.000 1.983 1.983 1.983 . 0 0 "[ ]" 1
515 1 45 GLY H 1 60 TYR QD 6.000 . 6.000 5.427 5.427 5.427 . 0 0 "[ ]" 1
516 1 45 GLY H 1 60 TYR QE 0.000 . 6.000 4.377 4.377 4.377 . 0 0 "[ ]" 1
517 1 45 GLY H 1 61 ILE H 0.000 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
518 1 45 GLY H 1 61 ILE HB 0.000 . 5.000 4.219 4.219 4.219 . 0 0 "[ ]" 1
519 1 45 GLY H 1 62 THR HA 0.000 . 5.000 4.970 4.970 4.970 . 0 0 "[ ]" 1
520 1 45 GLY QA 1 46 HIS H 0.000 . 3.500 2.820 2.820 2.820 . 0 0 "[ ]" 1
521 1 45 GLY QA 1 60 TYR QE 5.000 . 5.000 1.938 1.938 1.938 . 0 0 "[ ]" 1
522 1 45 GLY QA 1 62 THR HA 5.000 . 5.000 4.066 4.066 4.066 . 0 0 "[ ]" 1
523 1 46 HIS H 1 46 HIS HB2 0.000 . 3.500 2.835 2.835 2.835 . 0 0 "[ ]" 1
524 1 46 HIS H 1 46 HIS HD2 0.000 . 3.500 3.002 3.002 3.002 . 0 0 "[ ]" 1
525 1 46 HIS H 1 47 THR H 0.000 . 5.000 4.441 4.441 4.441 . 0 0 "[ ]" 1
526 1 46 HIS H 1 60 TYR QE 0.000 . 6.000 3.614 3.614 3.614 . 0 0 "[ ]" 1
527 1 46 HIS H 1 61 ILE H 0.000 . 3.500 3.257 3.257 3.257 . 0 0 "[ ]" 1
528 1 46 HIS H 1 61 ILE HB 0.000 . 3.500 3.551 3.551 3.551 0.051 1 0 "[ ]" 1
529 1 46 HIS H 1 61 ILE MD 5.000 . 5.000 3.627 3.627 3.627 . 0 0 "[ ]" 1
530 1 46 HIS HA 1 46 HIS HD2 5.000 . 5.000 4.322 4.322 4.322 . 0 0 "[ ]" 1
531 1 46 HIS HA 1 47 THR H 0.000 . 3.500 2.308 2.308 2.308 . 0 0 "[ ]" 1
532 1 46 HIS HA 1 47 THR HA 5.000 . 5.000 4.461 4.461 4.461 . 0 0 "[ ]" 1
533 1 46 HIS HA 1 60 TYR HA 5.000 . 5.000 4.431 4.431 4.431 . 0 0 "[ ]" 1
534 1 46 HIS HA 1 60 TYR QE 6.000 . 6.000 3.820 3.820 3.820 . 0 0 "[ ]" 1
535 1 46 HIS HA 1 61 ILE MD 6.000 . 6.000 5.071 5.071 5.071 . 0 0 "[ ]" 1
536 1 46 HIS HB2 1 47 THR H 5.000 . 5.000 3.749 3.749 3.749 . 0 0 "[ ]" 1
537 1 46 HIS HB2 1 47 THR HA 6.000 . 6.000 4.822 4.822 4.822 . 0 0 "[ ]" 1
538 1 46 HIS HB2 1 61 ILE H 5.000 . 5.000 4.478 4.478 4.478 . 0 0 "[ ]" 1
539 1 46 HIS HB2 1 61 ILE MD 5.000 . 5.000 3.506 3.506 3.506 . 0 0 "[ ]" 1
540 1 46 HIS HB3 1 47 THR H 0.000 . 3.500 2.863 2.863 2.863 . 0 0 "[ ]" 1
541 1 46 HIS HB3 1 48 ILE H 5.000 . 5.000 4.480 4.480 4.480 . 0 0 "[ ]" 1
542 1 46 HIS HD2 1 47 THR H 6.000 . 6.000 6.051 6.051 6.051 0.051 1 0 "[ ]" 1
543 1 46 HIS HD2 1 61 ILE HB 0.000 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
544 1 46 HIS HD2 1 61 ILE MD 6.000 . 6.000 4.886 4.886 4.886 . 0 0 "[ ]" 1
545 1 47 THR H 1 47 THR HB 0.000 . 3.500 3.023 3.023 3.023 . 0 0 "[ ]" 1
546 1 47 THR H 1 48 ILE QG 0.000 . 5.000 4.041 4.041 4.041 . 0 0 "[ ]" 1
547 1 47 THR H 1 58 PRO HA 6.000 . 6.000 6.216 6.216 6.216 0.216 1 0 "[ ]" 1
548 1 47 THR H 1 60 TYR HA 0.000 . 5.000 3.803 3.803 3.803 . 0 0 "[ ]" 1
549 1 47 THR H 1 61 ILE H 5.000 . 5.000 5.032 5.032 5.032 0.032 1 0 "[ ]" 1
550 1 47 THR HA 1 48 ILE H 0.000 . 3.500 2.379 2.379 2.379 . 0 0 "[ ]" 1
551 1 47 THR HA 1 48 ILE HB 5.000 . 5.000 4.655 4.655 4.655 . 0 0 "[ ]" 1
552 1 47 THR HA 1 48 ILE QG 5.000 . 5.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
553 1 47 THR HA 1 58 PRO HA 0.000 . 5.000 4.576 4.576 4.576 . 0 0 "[ ]" 1
554 1 47 THR HA 1 58 PRO QB 6.000 . 6.000 4.395 4.395 4.395 . 0 0 "[ ]" 1
555 1 47 THR HA 1 59 VAL H 0.000 . 5.000 4.041 4.041 4.041 . 0 0 "[ ]" 1
556 1 47 THR HA 1 59 VAL HA 5.000 . 5.000 4.217 4.217 4.217 . 0 0 "[ ]" 1
557 1 47 THR HA 1 59 VAL HB 0.000 . 5.000 4.724 4.724 4.724 . 0 0 "[ ]" 1
558 1 47 THR HA 1 59 VAL QG 0.000 . 6.000 4.323 4.323 4.323 . 0 0 "[ ]" 1
559 1 47 THR HA 1 60 TYR H 0.000 . 5.000 3.335 3.335 3.335 . 0 0 "[ ]" 1
560 1 47 THR HA 1 60 TYR HA 0.000 . 3.500 1.790 1.790 1.790 . 0 0 "[ ]" 1
561 1 47 THR HA 1 60 TYR HB3 0.000 . 5.000 4.416 4.416 4.416 . 0 0 "[ ]" 1
562 1 47 THR HA 1 60 TYR QD 0.000 . 6.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
563 1 47 THR HA 1 60 TYR QE 6.000 . 6.000 5.418 5.418 5.418 . 0 0 "[ ]" 1
564 1 47 THR HA 1 61 ILE H 0.000 . 3.500 3.311 3.311 3.311 . 0 0 "[ ]" 1
565 1 47 THR HB 1 48 ILE H 0.000 . 5.000 4.298 4.298 4.298 . 0 0 "[ ]" 1
566 1 47 THR HB 1 60 TYR H 5.000 . 5.000 5.048 5.048 5.048 0.048 1 0 "[ ]" 1
567 1 47 THR HB 1 60 TYR QD 6.000 . 6.000 4.476 4.476 4.476 . 0 0 "[ ]" 1
568 1 47 THR MG 1 59 VAL H 0.000 . 5.000 3.716 3.716 3.716 . 0 0 "[ ]" 1
569 1 47 THR MG 1 60 TYR H 0.000 . 5.000 2.282 2.282 2.282 . 0 0 "[ ]" 1
570 1 47 THR MG 1 60 TYR HA 0.000 . 5.000 2.679 2.679 2.679 . 0 0 "[ ]" 1
571 1 47 THR MG 1 60 TYR HB2 5.000 . 5.000 1.722 1.722 1.722 . 0 0 "[ ]" 1
572 1 47 THR MG 1 60 TYR HB3 5.000 . 5.000 3.273 3.273 3.273 . 0 0 "[ ]" 1
573 1 47 THR MG 1 60 TYR QD 0.000 . 5.000 2.460 2.460 2.460 . 0 0 "[ ]" 1
574 1 47 THR MG 1 60 TYR QE 0.000 . 6.000 4.477 4.477 4.477 . 0 0 "[ ]" 1
575 1 48 ILE H 1 48 ILE HB 0.000 . 3.500 2.300 2.300 2.300 . 0 0 "[ ]" 1
576 1 48 ILE H 1 49 ALA H 0.000 . 5.000 4.521 4.521 4.521 . 0 0 "[ ]" 1
577 1 48 ILE H 1 59 VAL H 0.000 . 3.500 3.549 3.549 3.549 0.049 1 0 "[ ]" 1
578 1 48 ILE H 1 59 VAL HB 0.000 . 5.000 4.129 4.129 4.129 . 0 0 "[ ]" 1
579 1 48 ILE H 1 60 TYR H 0.000 . 5.000 5.039 5.039 5.039 0.039 1 0 "[ ]" 1
580 1 48 ILE H 1 60 TYR HA 0.000 . 3.500 3.516 3.516 3.516 0.016 1 0 "[ ]" 1
581 1 48 ILE H 1 61 ILE H 0.000 . 5.000 3.570 3.570 3.570 . 0 0 "[ ]" 1
582 1 48 ILE H 1 61 ILE MD 0.000 . 5.000 2.287 2.287 2.287 . 0 0 "[ ]" 1
583 1 48 ILE HA 1 49 ALA H 0.000 . 3.500 2.183 2.183 2.183 . 0 0 "[ ]" 1
584 1 48 ILE HA 1 49 ALA MB 6.000 . 6.000 3.982 3.982 3.982 . 0 0 "[ ]" 1
585 1 48 ILE HB 1 50 VAL H 5.000 . 5.000 4.302 4.302 4.302 . 0 0 "[ ]" 1
586 1 48 ILE HB 1 59 VAL H 0.000 . 5.000 4.163 4.163 4.163 . 0 0 "[ ]" 1
587 1 48 ILE HB 1 61 ILE MD 5.000 . 5.000 2.199 2.199 2.199 . 0 0 "[ ]" 1
588 1 48 ILE QG 1 49 ALA H 5.000 . 5.000 4.137 4.137 4.137 . 0 0 "[ ]" 1
589 1 48 ILE QG 1 61 ILE MD 5.000 . 5.000 3.354 3.354 3.354 . 0 0 "[ ]" 1
590 1 49 ALA H 1 50 VAL H 0.000 . 5.000 3.941 3.941 3.941 . 0 0 "[ ]" 1
591 1 49 ALA H 1 58 PRO HA 0.000 . 5.000 2.891 2.891 2.891 . 0 0 "[ ]" 1
592 1 49 ALA HA 1 50 VAL H 0.000 . 3.500 2.333 2.333 2.333 . 0 0 "[ ]" 1
593 1 49 ALA HA 1 50 VAL HA 5.000 . 5.000 4.618 4.618 4.618 . 0 0 "[ ]" 1
594 1 49 ALA HA 1 50 VAL QG 0.000 . 5.000 3.276 3.276 3.276 . 0 0 "[ ]" 1
595 1 49 ALA HA 1 56 HIS HB3 0.000 . 5.000 4.253 4.253 4.253 . 0 0 "[ ]" 1
596 1 49 ALA HA 1 57 VAL H 0.000 . 5.000 3.399 3.399 3.399 . 0 0 "[ ]" 1
597 1 49 ALA HA 1 57 VAL HA 0.000 . 5.000 3.795 3.795 3.795 . 0 0 "[ ]" 1
598 1 49 ALA HA 1 57 VAL HB 5.000 . 5.000 4.037 4.037 4.037 . 0 0 "[ ]" 1
599 1 49 ALA HA 1 58 PRO HA 0.000 . 3.500 1.892 1.892 1.892 . 0 0 "[ ]" 1
600 1 49 ALA HA 1 58 PRO QB 0.000 . 5.000 3.375 3.375 3.375 . 0 0 "[ ]" 1
601 1 49 ALA HA 1 58 PRO QD 5.000 . 5.000 3.180 3.180 3.180 . 0 0 "[ ]" 1
602 1 49 ALA HA 1 59 VAL H 0.000 . 3.500 2.928 2.928 2.928 . 0 0 "[ ]" 1
603 1 49 ALA HA 1 59 VAL QG 0.000 . 5.000 3.753 3.753 3.753 . 0 0 "[ ]" 1
604 1 49 ALA MB 1 50 VAL H 0.000 . 5.000 3.667 3.667 3.667 . 0 0 "[ ]" 1
605 1 49 ALA MB 1 56 HIS H 5.000 . 5.000 4.275 4.275 4.275 . 0 0 "[ ]" 1
606 1 49 ALA MB 1 56 HIS HA 5.000 . 5.000 3.023 3.023 3.023 . 0 0 "[ ]" 1
607 1 49 ALA MB 1 56 HIS HB3 0.000 . 5.000 1.953 1.953 1.953 . 0 0 "[ ]" 1
608 1 49 ALA MB 1 57 VAL H 0.000 . 5.000 3.353 3.353 3.353 . 0 0 "[ ]" 1
609 1 49 ALA MB 1 57 VAL HA 0.000 . 5.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
610 1 49 ALA MB 1 58 PRO HA 0.000 . 5.000 2.551 2.551 2.551 . 0 0 "[ ]" 1
611 1 49 ALA MB 1 58 PRO QB 5.000 . 5.000 2.210 2.210 2.210 . 0 0 "[ ]" 1
612 1 49 ALA MB 1 58 PRO QD 0.000 . 5.000 2.355 2.355 2.355 . 0 0 "[ ]" 1
613 1 49 ALA MB 1 59 VAL H 0.000 . 5.000 4.296 4.296 4.296 . 0 0 "[ ]" 1
614 1 50 VAL H 1 50 VAL HB 3.500 . 3.500 3.554 3.554 3.554 0.054 1 0 "[ ]" 1
615 1 50 VAL H 1 51 TYR H 0.000 . 5.000 4.625 4.625 4.625 . 0 0 "[ ]" 1
616 1 50 VAL H 1 56 HIS HA 0.000 . 5.000 4.700 4.700 4.700 . 0 0 "[ ]" 1
617 1 50 VAL H 1 57 VAL H 0.000 . 3.500 3.506 3.506 3.506 0.006 1 0 "[ ]" 1
618 1 50 VAL H 1 57 VAL HB 5.000 . 5.000 3.673 3.673 3.673 . 0 0 "[ ]" 1
619 1 50 VAL H 1 58 PRO HA 0.000 . 3.500 3.657 3.657 3.657 0.157 1 0 "[ ]" 1
620 1 50 VAL H 1 59 VAL H 0.000 . 5.000 3.226 3.226 3.226 . 0 0 "[ ]" 1
621 1 50 VAL H 1 59 VAL QG 5.000 . 5.000 3.267 3.267 3.267 . 0 0 "[ ]" 1
622 1 50 VAL HA 1 51 TYR H 0.000 . 3.500 2.213 2.213 2.213 . 0 0 "[ ]" 1
623 1 50 VAL HA 1 57 VAL H 5.000 . 5.000 4.669 4.669 4.669 . 0 0 "[ ]" 1
624 1 50 VAL HB 1 57 VAL H 5.000 . 5.000 5.013 5.013 5.013 0.013 1 0 "[ ]" 1
625 1 50 VAL QG 1 52 ASN H 0.000 . 5.000 3.738 3.738 3.738 . 0 0 "[ ]" 1
626 1 50 VAL QG 1 57 VAL H 6.000 . 6.000 2.784 2.784 2.784 . 0 0 "[ ]" 1
627 1 50 VAL QG 1 59 VAL H 0.000 . 5.000 3.248 3.248 3.248 . 0 0 "[ ]" 1
628 1 51 TYR H 1 52 ASN H 0.000 . 5.000 4.355 4.355 4.355 . 0 0 "[ ]" 1
629 1 51 TYR H 1 56 HIS HA 5.000 . 5.000 4.316 4.316 4.316 . 0 0 "[ ]" 1
630 1 51 TYR H 1 57 VAL H 0.000 . 5.000 4.947 4.947 4.947 . 0 0 "[ ]" 1
631 1 51 TYR HA 1 51 TYR QE 0.000 . 5.000 4.327 4.327 4.327 . 0 0 "[ ]" 1
632 1 51 TYR HA 1 53 GLY H 0.000 . 5.000 3.323 3.323 3.323 . 0 0 "[ ]" 1
633 1 51 TYR HA 1 54 LYS H 0.000 . 5.000 4.709 4.709 4.709 . 0 0 "[ ]" 1
634 1 51 TYR HA 1 56 HIS H 5.000 . 5.000 4.660 4.660 4.660 . 0 0 "[ ]" 1
635 1 51 TYR HA 1 56 HIS HA 0.000 . 5.000 2.522 2.522 2.522 . 0 0 "[ ]" 1
636 1 51 TYR HA 1 56 HIS HB3 5.000 . 5.000 4.266 4.266 4.266 . 0 0 "[ ]" 1
637 1 51 TYR HA 1 57 VAL H 5.000 . 5.000 3.831 3.831 3.831 . 0 0 "[ ]" 1
638 1 51 TYR QB 1 52 ASN H 5.000 . 5.000 4.001 4.001 4.001 . 0 0 "[ ]" 1
639 1 51 TYR QB 1 53 GLY H 6.000 . 6.000 3.588 3.588 3.588 . 0 0 "[ ]" 1
640 1 51 TYR QD 1 52 ASN H 0.000 . 5.000 3.858 3.858 3.858 . 0 0 "[ ]" 1
641 1 51 TYR QD 1 53 GLY H 0.000 . 5.000 3.106 3.106 3.106 . 0 0 "[ ]" 1
642 1 51 TYR QD 1 54 LYS H 6.000 . 6.000 4.452 4.452 4.452 . 0 0 "[ ]" 1
643 1 51 TYR QD 1 55 GLN H 6.000 . 6.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
644 1 51 TYR QD 1 56 HIS H 6.000 . 6.000 4.311 4.311 4.311 . 0 0 "[ ]" 1
645 1 51 TYR QD 1 57 VAL H 6.000 . 6.000 5.363 5.363 5.363 . 0 0 "[ ]" 1
646 1 51 TYR QE 1 52 ASN H 6.000 . 6.000 5.103 5.103 5.103 . 0 0 "[ ]" 1
647 1 51 TYR QE 1 53 GLY H 0.000 . 5.000 3.676 3.676 3.676 . 0 0 "[ ]" 1
648 1 51 TYR QE 1 53 GLY QA 5.000 . 5.000 2.527 2.527 2.527 . 0 0 "[ ]" 1
649 1 51 TYR QE 1 54 LYS H 0.000 . 6.000 4.103 4.103 4.103 . 0 0 "[ ]" 1
650 1 51 TYR QE 1 55 GLN H 0.000 . 6.000 4.218 4.218 4.218 . 0 0 "[ ]" 1
651 1 51 TYR QE 1 55 GLN HA 6.000 . 6.000 3.918 3.918 3.918 . 0 0 "[ ]" 1
652 1 51 TYR QE 1 56 HIS H 6.000 . 6.000 4.953 4.953 4.953 . 0 0 "[ ]" 1
653 1 52 ASN H 1 52 ASN QD 0.000 . 5.000 4.273 4.273 4.273 . 0 0 "[ ]" 1
654 1 52 ASN H 1 53 GLY H 0.000 . 3.500 2.681 2.681 2.681 . 0 0 "[ ]" 1
655 1 52 ASN H 1 54 LYS H 0.000 . 3.500 3.543 3.543 3.543 0.043 1 0 "[ ]" 1
656 1 52 ASN H 1 55 GLN H 0.000 . 3.500 3.171 3.171 3.171 . 0 0 "[ ]" 1
657 1 52 ASN H 1 55 GLN QB 5.000 . 5.000 4.532 4.532 4.532 . 0 0 "[ ]" 1
658 1 52 ASN H 1 55 GLN QE 6.000 . 6.000 5.367 5.367 5.367 . 0 0 "[ ]" 1
659 1 52 ASN H 1 57 VAL H 0.000 . 5.000 3.741 3.741 3.741 . 0 0 "[ ]" 1
660 1 52 ASN HA 1 53 GLY H 0.000 . 5.000 3.345 3.345 3.345 . 0 0 "[ ]" 1
661 1 52 ASN HA 1 54 LYS H 0.000 . 5.000 4.533 4.533 4.533 . 0 0 "[ ]" 1
662 1 52 ASN HA 1 55 GLN H 5.000 . 5.000 5.056 5.056 5.056 0.056 1 0 "[ ]" 1
663 1 52 ASN QB 1 53 GLY H 0.000 . 5.000 3.311 3.311 3.311 . 0 0 "[ ]" 1
664 1 52 ASN QD 1 53 GLY QA 5.000 . 5.000 3.838 3.838 3.838 . 0 0 "[ ]" 1
665 1 52 ASN QD 1 54 LYS H 0.000 . 5.000 3.034 3.034 3.034 . 0 0 "[ ]" 1
666 1 52 ASN QD 1 54 LYS HA 6.000 . 6.000 5.371 5.371 5.371 . 0 0 "[ ]" 1
667 1 52 ASN QD 1 55 GLN H 0.000 . 5.000 3.385 3.385 3.385 . 0 0 "[ ]" 1
668 1 52 ASN QD 1 55 GLN QB 6.000 . 6.000 4.014 4.014 4.014 . 0 0 "[ ]" 1
669 1 53 GLY H 1 54 LYS H 0.000 . 3.500 2.316 2.316 2.316 . 0 0 "[ ]" 1
670 1 53 GLY H 1 55 GLN H 0.000 . 5.000 3.353 3.353 3.353 . 0 0 "[ ]" 1
671 1 53 GLY H 1 55 GLN QB 6.000 . 6.000 5.425 5.425 5.425 . 0 0 "[ ]" 1
672 1 53 GLY QA 1 54 LYS H 0.000 . 5.000 2.848 2.848 2.848 . 0 0 "[ ]" 1
673 1 53 GLY QA 1 55 GLN H 0.000 . 5.000 4.417 4.417 4.417 . 0 0 "[ ]" 1
674 1 54 LYS H 1 54 LYS HB3 0.000 . 3.500 3.446 3.446 3.446 . 0 0 "[ ]" 1
675 1 54 LYS H 1 54 LYS QG 0.000 . 5.000 2.100 2.100 2.100 . 0 0 "[ ]" 1
676 1 54 LYS H 1 55 GLN H 0.000 . 2.700 1.820 1.820 1.820 . 0 0 "[ ]" 1
677 1 54 LYS H 1 55 GLN QB 0.000 . 5.000 3.906 3.906 3.906 . 0 0 "[ ]" 1
678 1 54 LYS H 1 55 GLN QG 0.000 . 5.000 4.499 4.499 4.499 . 0 0 "[ ]" 1
679 1 54 LYS HA 1 55 GLN H 3.500 . 3.500 3.543 3.543 3.543 0.043 1 0 "[ ]" 1
680 1 54 LYS HB2 1 55 GLN H 0.000 . 3.500 3.588 3.588 3.588 0.088 1 0 "[ ]" 1
681 1 54 LYS QG 1 55 GLN H 0.000 . 5.000 2.031 2.031 2.031 . 0 0 "[ ]" 1
682 1 55 GLN H 1 55 GLN QG 0.000 . 5.000 3.081 3.081 3.081 . 0 0 "[ ]" 1
683 1 55 GLN H 1 56 HIS H 0.000 . 5.000 4.511 4.511 4.511 . 0 0 "[ ]" 1
684 1 55 GLN H 1 57 VAL QG 0.000 . 6.000 4.463 4.463 4.463 . 0 0 "[ ]" 1
685 1 55 GLN HA 1 55 GLN QE 0.000 . 3.500 3.200 3.200 3.200 . 0 0 "[ ]" 1
686 1 55 GLN HA 1 55 GLN QG 0.000 . 3.500 3.214 3.214 3.214 . 0 0 "[ ]" 1
687 1 55 GLN HA 1 56 HIS H 0.000 . 3.500 2.300 2.300 2.300 . 0 0 "[ ]" 1
688 1 55 GLN QB 1 56 HIS H 0.000 . 3.500 3.158 3.158 3.158 . 0 0 "[ ]" 1
689 1 55 GLN QE 1 56 HIS H 0.000 . 5.000 1.856 1.856 1.856 . 0 0 "[ ]" 1
690 1 55 GLN QE 1 56 HIS HA 5.000 . 5.000 3.811 3.811 3.811 . 0 0 "[ ]" 1
691 1 55 GLN QE 1 56 HIS HB3 5.000 . 5.000 4.569 4.569 4.569 . 0 0 "[ ]" 1
692 1 55 GLN QE 1 57 VAL H 0.000 . 6.000 3.954 3.954 3.954 . 0 0 "[ ]" 1
693 1 55 GLN QE 1 57 VAL QG 6.000 . 6.000 2.924 2.924 2.924 . 0 0 "[ ]" 1
694 1 55 GLN QG 1 56 HIS H 0.000 . 5.000 3.000 3.000 3.000 . 0 0 "[ ]" 1
695 1 56 HIS H 1 56 HIS HB2 0.000 . 3.500 2.775 2.775 2.775 . 0 0 "[ ]" 1
696 1 56 HIS H 1 57 VAL H 0.000 . 5.000 4.235 4.235 4.235 . 0 0 "[ ]" 1
697 1 56 HIS HA 1 57 VAL H 0.000 . 3.500 2.281 2.281 2.281 . 0 0 "[ ]" 1
698 1 56 HIS HB3 1 57 VAL H 0.000 . 5.000 3.984 3.984 3.984 . 0 0 "[ ]" 1
699 1 57 VAL H 1 57 VAL HB 0.000 . 3.500 2.462 2.462 2.462 . 0 0 "[ ]" 1
700 1 57 VAL H 1 58 PRO QD 0.000 . 5.000 3.970 3.970 3.970 . 0 0 "[ ]" 1
701 1 57 VAL HA 1 58 PRO QD 0.000 . 3.500 1.910 1.910 1.910 . 0 0 "[ ]" 1
702 1 57 VAL HA 1 58 PRO QG 5.000 . 5.000 3.822 3.822 3.822 . 0 0 "[ ]" 1
703 1 58 PRO HA 1 59 VAL H 0.000 . 2.700 2.264 2.264 2.264 . 0 0 "[ ]" 1
704 1 58 PRO QB 1 59 VAL H 0.000 . 5.000 3.821 3.821 3.821 . 0 0 "[ ]" 1
705 1 58 PRO QB 1 60 TYR H 6.000 . 6.000 5.130 5.130 5.130 . 0 0 "[ ]" 1
706 1 58 PRO QD 1 59 VAL H 5.000 . 5.000 4.557 4.557 4.557 . 0 0 "[ ]" 1
707 1 59 VAL H 1 59 VAL HB 0.000 . 3.500 2.461 2.461 2.461 . 0 0 "[ ]" 1
708 1 59 VAL H 1 60 TYR H 0.000 . 5.000 4.461 4.461 4.461 . 0 0 "[ ]" 1
709 1 59 VAL HA 1 60 TYR H 0.000 . 2.700 2.227 2.227 2.227 . 0 0 "[ ]" 1
710 1 59 VAL HA 1 60 TYR HA 5.000 . 5.000 4.497 4.497 4.497 . 0 0 "[ ]" 1
711 1 59 VAL HA 1 60 TYR HB2 5.000 . 5.000 4.520 4.520 4.520 . 0 0 "[ ]" 1
712 1 59 VAL HB 1 60 TYR H 0.000 . 5.000 4.330 4.330 4.330 . 0 0 "[ ]" 1
713 1 59 VAL HB 1 73 PHE QE 0.000 . 5.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
714 1 59 VAL HB 1 73 PHE HZ 5.000 . 5.000 5.149 5.149 5.149 0.149 1 0 "[ ]" 1
715 1 59 VAL QG 1 60 TYR H 0.000 . 5.000 2.925 2.925 2.925 . 0 0 "[ ]" 1
716 1 59 VAL QG 1 61 ILE H 0.000 . 5.000 3.784 3.784 3.784 . 0 0 "[ ]" 1
717 1 59 VAL QG 1 73 PHE HA 0.000 . 6.000 4.173 4.173 4.173 . 0 0 "[ ]" 1
718 1 59 VAL QG 1 73 PHE HB2 5.000 . 5.000 2.696 2.696 2.696 . 0 0 "[ ]" 1
719 1 59 VAL QG 1 73 PHE QE 6.000 . 6.000 2.765 2.765 2.765 . 0 0 "[ ]" 1
720 1 60 TYR H 1 60 TYR HB2 0.000 . 3.500 2.412 2.412 2.412 . 0 0 "[ ]" 1
721 1 60 TYR H 1 60 TYR QD 0.000 . 5.000 4.174 4.174 4.174 . 0 0 "[ ]" 1
722 1 60 TYR H 1 61 ILE H 0.000 . 5.000 4.291 4.291 4.291 . 0 0 "[ ]" 1
723 1 60 TYR HA 1 60 TYR QE 0.000 . 6.000 4.472 4.472 4.472 . 0 0 "[ ]" 1
724 1 60 TYR HA 1 61 ILE H 0.000 . 3.500 2.212 2.212 2.212 . 0 0 "[ ]" 1
725 1 60 TYR HA 1 61 ILE HA 5.000 . 5.000 4.496 4.496 4.496 . 0 0 "[ ]" 1
726 1 60 TYR HA 1 61 ILE MD 5.000 . 5.000 3.409 3.409 3.409 . 0 0 "[ ]" 1
727 1 60 TYR HB2 1 60 TYR QE 0.000 . 5.000 4.418 4.418 4.418 . 0 0 "[ ]" 1
728 1 60 TYR HB3 1 61 ILE H 0.000 . 5.000 4.317 4.317 4.317 . 0 0 "[ ]" 1
729 1 60 TYR QD 1 61 ILE H 0.000 . 5.000 3.304 3.304 3.304 . 0 0 "[ ]" 1
730 1 60 TYR QD 1 61 ILE HA 6.000 . 6.000 3.852 3.852 3.852 . 0 0 "[ ]" 1
731 1 60 TYR QD 1 62 THR HA 6.000 . 6.000 3.960 3.960 3.960 . 0 0 "[ ]" 1
732 1 60 TYR QD 1 62 THR HB 6.000 . 6.000 5.367 5.367 5.367 . 0 0 "[ ]" 1
733 1 60 TYR QD 1 62 THR MG 6.000 . 6.000 2.867 2.867 2.867 . 0 0 "[ ]" 1
734 1 60 TYR QE 1 61 ILE H 6.000 . 6.000 4.726 4.726 4.726 . 0 0 "[ ]" 1
735 1 60 TYR QE 1 62 THR H 6.000 . 6.000 5.444 5.444 5.444 . 0 0 "[ ]" 1
736 1 60 TYR QE 1 62 THR HA 0.000 . 6.000 3.609 3.609 3.609 . 0 0 "[ ]" 1
737 1 60 TYR QE 1 62 THR HB 0.000 . 6.000 5.303 5.303 5.303 . 0 0 "[ ]" 1
738 1 60 TYR QE 1 62 THR MG 5.000 . 5.000 3.404 3.404 3.404 . 0 0 "[ ]" 1
739 1 61 ILE H 1 61 ILE HB 0.000 . 3.500 2.368 2.368 2.368 . 0 0 "[ ]" 1
740 1 61 ILE HA 1 62 THR H 5.000 . 5.000 2.187 2.187 2.187 . 0 0 "[ ]" 1
741 1 61 ILE HA 1 65 MET H 5.000 . 5.000 4.668 4.668 4.668 . 0 0 "[ ]" 1
742 1 61 ILE HB 1 73 PHE QE 5.000 . 5.000 3.657 3.657 3.657 . 0 0 "[ ]" 1
743 1 61 ILE MD 1 73 PHE QE 6.000 . 6.000 3.628 3.628 3.628 . 0 0 "[ ]" 1
744 1 61 ILE MG 1 62 THR H 5.000 . 5.000 2.344 2.344 2.344 . 0 0 "[ ]" 1
745 1 61 ILE MG 1 63 GLU H 0.000 . 6.000 4.827 4.827 4.827 . 0 0 "[ ]" 1
746 1 61 ILE MG 1 63 GLU HA 5.000 . 5.000 4.195 4.195 4.195 . 0 0 "[ ]" 1
747 1 61 ILE MG 1 65 MET H 6.000 . 6.000 3.427 3.427 3.427 . 0 0 "[ ]" 1
748 1 61 ILE MG 1 65 MET HB2 5.000 . 5.000 2.630 2.630 2.630 . 0 0 "[ ]" 1
749 1 61 ILE MG 1 66 VAL H 0.000 . 6.000 2.631 2.631 2.631 . 0 0 "[ ]" 1
750 1 62 THR H 1 63 GLU H 0.000 . 5.000 4.303 4.303 4.303 . 0 0 "[ ]" 1
751 1 62 THR H 1 65 MET H 0.000 . 5.000 3.061 3.061 3.061 . 0 0 "[ ]" 1
752 1 62 THR HA 1 62 THR MG 0.000 . 3.500 2.394 2.394 2.394 . 0 0 "[ ]" 1
753 1 62 THR HA 1 63 GLU H 0.000 . 3.500 2.893 2.893 2.893 . 0 0 "[ ]" 1
754 1 62 THR HB 1 63 GLU H 0.000 . 3.500 2.110 2.110 2.110 . 0 0 "[ ]" 1
755 1 62 THR HB 1 63 GLU HA 5.000 . 5.000 4.855 4.855 4.855 . 0 0 "[ ]" 1
756 1 62 THR MG 1 63 GLU H 0.000 . 5.000 3.749 3.749 3.749 . 0 0 "[ ]" 1
757 1 62 THR MG 1 64 ASN H 5.000 . 5.000 4.207 4.207 4.207 . 0 0 "[ ]" 1
758 1 62 THR MG 1 65 MET H 0.000 . 6.000 4.205 4.205 4.205 . 0 0 "[ ]" 1
759 1 63 GLU H 1 63 GLU QB 0.000 . 3.500 2.235 2.235 2.235 . 0 0 "[ ]" 1
760 1 63 GLU H 1 63 GLU QG 0.000 . 5.000 3.946 3.946 3.946 . 0 0 "[ ]" 1
761 1 63 GLU H 1 64 ASN H 0.000 . 5.000 2.790 2.790 2.790 . 0 0 "[ ]" 1
762 1 63 GLU H 1 64 ASN QB 0.000 . 6.000 3.858 3.858 3.858 . 0 0 "[ ]" 1
763 1 63 GLU H 1 65 MET H 0.000 . 5.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
764 1 63 GLU HA 1 64 ASN H 0.000 . 5.000 3.168 3.168 3.168 . 0 0 "[ ]" 1
765 1 63 GLU HA 1 64 ASN QB 0.000 . 6.000 4.721 4.721 4.721 . 0 0 "[ ]" 1
766 1 63 GLU HA 1 65 MET H 0.000 . 5.000 4.596 4.596 4.596 . 0 0 "[ ]" 1
767 1 63 GLU HA 1 66 VAL H 5.000 . 5.000 4.648 4.648 4.648 . 0 0 "[ ]" 1
768 1 63 GLU QB 1 64 ASN H 5.000 . 5.000 3.653 3.653 3.653 . 0 0 "[ ]" 1
769 1 63 GLU QB 1 64 ASN QB 5.000 . 5.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
770 1 63 GLU QG 1 64 ASN H 0.000 . 5.000 4.482 4.482 4.482 . 0 0 "[ ]" 1
771 1 64 ASN H 1 65 MET H 0.000 . 3.500 1.884 1.884 1.884 . 0 0 "[ ]" 1
772 1 64 ASN H 1 66 VAL H 0.000 . 5.000 3.440 3.440 3.440 . 0 0 "[ ]" 1
773 1 64 ASN HA 1 65 MET H 0.000 . 3.500 3.517 3.517 3.517 0.017 1 0 "[ ]" 1
774 1 64 ASN HA 1 65 MET HA 5.000 . 5.000 4.766 4.766 4.766 . 0 0 "[ ]" 1
775 1 64 ASN HA 1 66 VAL H 5.000 . 5.000 4.180 4.180 4.180 . 0 0 "[ ]" 1
776 1 64 ASN QB 1 65 MET H 0.000 . 5.000 3.021 3.021 3.021 . 0 0 "[ ]" 1
777 1 64 ASN QB 1 65 MET HA 0.000 . 6.000 4.082 4.082 4.082 . 0 0 "[ ]" 1
778 1 64 ASN QB 1 66 VAL H 0.000 . 6.000 4.795 4.795 4.795 . 0 0 "[ ]" 1
779 1 64 ASN QD 1 65 MET H 0.000 . 5.000 4.457 4.457 4.457 . 0 0 "[ ]" 1
780 1 65 MET H 1 65 MET HB2 0.000 . 3.500 2.321 2.321 2.321 . 0 0 "[ ]" 1
781 1 65 MET H 1 65 MET QG 0.000 . 3.500 2.272 2.272 2.272 . 0 0 "[ ]" 1
782 1 65 MET H 1 66 VAL H 0.000 . 3.500 2.379 2.379 2.379 . 0 0 "[ ]" 1
783 1 65 MET H 1 66 VAL HA 0.000 . 5.000 5.039 5.039 5.039 0.039 1 0 "[ ]" 1
784 1 65 MET H 1 73 PHE QD 0.000 . 6.000 5.364 5.364 5.364 . 0 0 "[ ]" 1
785 1 65 MET H 1 73 PHE QE 5.000 . 5.000 4.457 4.457 4.457 . 0 0 "[ ]" 1
786 1 65 MET H 1 73 PHE HZ 5.000 . 5.000 5.077 5.077 5.077 0.077 1 0 "[ ]" 1
787 1 65 MET HA 1 66 VAL H 0.000 . 3.500 3.500 3.500 3.500 . 1 0 "[ ]" 1
788 1 65 MET HA 1 73 PHE QD 0.000 . 5.000 4.620 4.620 4.620 . 0 0 "[ ]" 1
789 1 65 MET HA 1 73 PHE QE 5.000 . 5.000 4.411 4.411 4.411 . 0 0 "[ ]" 1
790 1 65 MET HB2 1 66 VAL H 0.000 . 5.000 2.944 2.944 2.944 . 0 0 "[ ]" 1
791 1 65 MET HB2 1 73 PHE QD 5.000 . 5.000 3.290 3.290 3.290 . 0 0 "[ ]" 1
792 1 65 MET HB2 1 73 PHE QE 0.000 . 5.000 2.389 2.389 2.389 . 0 0 "[ ]" 1
793 1 65 MET HB3 1 73 PHE QD 5.000 . 5.000 2.741 2.741 2.741 . 0 0 "[ ]" 1
794 1 65 MET QG 1 66 VAL H 5.000 . 5.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
795 1 65 MET QG 1 73 PHE QD 0.000 . 5.000 3.672 3.672 3.672 . 0 0 "[ ]" 1
796 1 66 VAL H 1 66 VAL HB 0.000 . 2.700 2.583 2.583 2.583 . 0 0 "[ ]" 1
797 1 66 VAL H 1 66 VAL QG 0.000 . 3.500 1.946 1.946 1.946 . 0 0 "[ ]" 1
798 1 66 VAL H 1 67 GLY H 0.000 . 5.000 4.688 4.688 4.688 . 0 0 "[ ]" 1
799 1 66 VAL HA 1 67 GLY H 0.000 . 3.500 2.401 2.401 2.401 . 0 0 "[ ]" 1
800 1 66 VAL HA 1 67 GLY QA 5.000 . 5.000 4.089 4.089 4.089 . 0 0 "[ ]" 1
801 1 66 VAL HA 1 68 HIS H 0.000 . 5.000 3.369 3.369 3.369 . 0 0 "[ ]" 1
802 1 66 VAL HA 1 68 HIS HD2 5.000 . 5.000 4.992 4.992 4.992 . 0 0 "[ ]" 1
803 1 66 VAL QG 1 67 GLY H 0.000 . 5.000 1.925 1.925 1.925 . 0 0 "[ ]" 1
804 1 66 VAL QG 1 68 HIS H 0.000 . 5.000 3.793 3.793 3.793 . 0 0 "[ ]" 1
805 1 66 VAL QG 1 68 HIS HD2 0.000 . 6.000 4.512 4.512 4.512 . 0 0 "[ ]" 1
806 1 67 GLY H 1 68 HIS H 0.000 . 3.500 2.427 2.427 2.427 . 0 0 "[ ]" 1
807 1 67 GLY H 1 68 HIS HA 0.000 . 5.000 4.844 4.844 4.844 . 0 0 "[ ]" 1
808 1 67 GLY H 1 68 HIS HB2 5.000 . 5.000 4.870 4.870 4.870 . 0 0 "[ ]" 1
809 1 67 GLY H 1 68 HIS HD2 0.000 . 5.000 4.151 4.151 4.151 . 0 0 "[ ]" 1
810 1 67 GLY QA 1 68 HIS H 0.000 . 3.500 2.947 2.947 2.947 . 0 0 "[ ]" 1
811 1 67 GLY QA 1 68 HIS HD2 5.000 . 5.000 2.384 2.384 2.384 . 0 0 "[ ]" 1
812 1 68 HIS H 1 68 HIS HB2 3.500 . 3.500 2.474 2.474 2.474 . 0 0 "[ ]" 1
813 1 68 HIS H 1 68 HIS HB3 0.000 . 3.500 3.682 3.682 3.682 0.182 1 0 "[ ]" 1
814 1 68 HIS H 1 68 HIS HD2 0.000 . 3.500 2.703 2.703 2.703 . 0 0 "[ ]" 1
815 1 68 HIS H 1 69 LYS H 0.000 . 5.000 2.851 2.851 2.851 . 0 0 "[ ]" 1
816 1 68 HIS H 1 69 LYS HA 6.000 . 6.000 4.449 4.449 4.449 . 0 0 "[ ]" 1
817 1 68 HIS H 1 72 GLU H 5.000 . 5.000 5.053 5.053 5.053 0.053 1 0 "[ ]" 1
818 1 68 HIS H 1 73 PHE QE 0.000 . 5.000 3.632 3.632 3.632 . 0 0 "[ ]" 1
819 1 68 HIS HA 1 69 LYS H 0.000 . 5.000 3.536 3.536 3.536 . 0 0 "[ ]" 1
820 1 68 HIS HB2 1 69 LYS H 0.000 . 3.500 1.922 1.922 1.922 . 0 0 "[ ]" 1
821 1 68 HIS HB2 1 69 LYS HA 5.000 . 5.000 4.664 4.664 4.664 . 0 0 "[ ]" 1
822 1 68 HIS HB2 1 69 LYS QD 5.000 . 5.000 4.411 4.411 4.411 . 0 0 "[ ]" 1
823 1 68 HIS HB2 1 70 LEU H 0.000 . 5.000 3.048 3.048 3.048 . 0 0 "[ ]" 1
824 1 68 HIS HB2 1 71 GLY H 3.500 . 3.500 3.573 3.573 3.573 0.073 1 0 "[ ]" 1
825 1 68 HIS HB2 1 71 GLY QA 0.000 . 5.000 4.472 4.472 4.472 . 0 0 "[ ]" 1
826 1 68 HIS HB2 1 73 PHE QD 5.000 . 5.000 4.478 4.478 4.478 . 0 0 "[ ]" 1
827 1 68 HIS HB2 1 73 PHE QE 5.000 . 5.000 3.572 3.572 3.572 . 0 0 "[ ]" 1
828 1 68 HIS HB3 1 69 LYS H 3.500 . 3.500 2.615 2.615 2.615 . 0 0 "[ ]" 1
829 1 68 HIS HB3 1 72 GLU H 0.000 . 5.000 3.967 3.967 3.967 . 0 0 "[ ]" 1
830 1 68 HIS HB3 1 72 GLU HB2 5.000 . 5.000 4.561 4.561 4.561 . 0 0 "[ ]" 1
831 1 68 HIS HD2 1 69 LYS H 0.000 . 5.000 4.702 4.702 4.702 . 0 0 "[ ]" 1
832 1 69 LYS H 1 69 LYS QD 0.000 . 5.000 3.427 3.427 3.427 . 0 0 "[ ]" 1
833 1 69 LYS H 1 69 LYS QG 0.000 . 3.500 2.346 2.346 2.346 . 0 0 "[ ]" 1
834 1 69 LYS H 1 70 LEU H 0.000 . 5.000 1.823 1.823 1.823 . 0 0 "[ ]" 1
835 1 69 LYS H 1 72 GLU H 0.000 . 5.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
836 1 69 LYS H 1 72 GLU QG 0.000 . 5.000 3.978 3.978 3.978 . 0 0 "[ ]" 1
837 1 69 LYS H 1 73 PHE QD 0.000 . 5.000 4.094 4.094 4.094 . 0 0 "[ ]" 1
838 1 69 LYS H 1 73 PHE QE 0.000 . 5.000 2.935 2.935 2.935 . 0 0 "[ ]" 1
839 1 69 LYS H 1 73 PHE HZ 5.000 . 5.000 5.099 5.099 5.099 0.099 1 0 "[ ]" 1
840 1 69 LYS HA 1 69 LYS QD 0.000 . 5.000 3.855 3.855 3.855 . 0 0 "[ ]" 1
841 1 69 LYS HA 1 69 LYS QG 0.000 . 3.500 3.290 3.290 3.290 . 0 0 "[ ]" 1
842 1 69 LYS HA 1 70 LEU H 0.000 . 3.500 3.433 3.433 3.433 . 0 0 "[ ]" 1
843 1 69 LYS HA 1 70 LEU HA 5.000 . 5.000 4.778 4.778 4.778 . 0 0 "[ ]" 1
844 1 69 LYS HA 1 70 LEU QB 5.000 . 5.000 4.218 4.218 4.218 . 0 0 "[ ]" 1
845 1 69 LYS HA 1 71 GLY H 5.000 . 5.000 5.082 5.082 5.082 0.082 1 0 "[ ]" 1
846 1 69 LYS HA 1 72 GLU H 6.000 . 6.000 6.133 6.133 6.133 0.133 1 0 "[ ]" 1
847 1 69 LYS QD 1 70 LEU H 0.000 . 5.000 2.046 2.046 2.046 . 0 0 "[ ]" 1
848 1 69 LYS QD 1 70 LEU HA 5.000 . 5.000 3.831 3.831 3.831 . 0 0 "[ ]" 1
849 1 69 LYS QD 1 71 GLY H 5.000 . 5.000 1.839 1.839 1.839 . 0 0 "[ ]" 1
850 1 69 LYS QD 1 73 PHE H 6.000 . 6.000 5.426 5.426 5.426 . 0 0 "[ ]" 1
851 1 70 LEU H 1 70 LEU QD 0.000 . 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
852 1 70 LEU H 1 70 LEU HG 0.000 . 3.500 3.018 3.018 3.018 . 0 0 "[ ]" 1
853 1 70 LEU H 1 71 GLY H 0.000 . 3.500 1.734 1.734 1.734 . 0 0 "[ ]" 1
854 1 70 LEU H 1 71 GLY QA 0.000 . 5.000 3.743 3.743 3.743 . 0 0 "[ ]" 1
855 1 70 LEU H 1 72 GLU H 0.000 . 5.000 3.071 3.071 3.071 . 0 0 "[ ]" 1
856 1 70 LEU H 1 73 PHE H 0.000 . 5.000 4.427 4.427 4.427 . 0 0 "[ ]" 1
857 1 70 LEU H 1 73 PHE QE 5.000 . 5.000 3.382 3.382 3.382 . 0 0 "[ ]" 1
858 1 70 LEU HA 1 71 GLY H 0.000 . 5.000 3.487 3.487 3.487 . 0 0 "[ ]" 1
859 1 70 LEU HA 1 72 GLU H 0.000 . 5.000 3.670 3.670 3.670 . 0 0 "[ ]" 1
860 1 70 LEU HA 1 73 PHE H 0.000 . 3.500 3.326 3.326 3.326 . 0 0 "[ ]" 1
861 1 70 LEU HA 1 73 PHE QE 0.000 . 5.000 3.077 3.077 3.077 . 0 0 "[ ]" 1
862 1 70 LEU HA 1 74 ALA H 5.000 . 5.000 4.550 4.550 4.550 . 0 0 "[ ]" 1
863 1 70 LEU QB 1 71 GLY H 5.000 . 5.000 3.712 3.712 3.712 . 0 0 "[ ]" 1
864 1 70 LEU QD 1 71 GLY H 6.000 . 6.000 3.292 3.292 3.292 . 0 0 "[ ]" 1
865 1 70 LEU QD 1 73 PHE H 6.000 . 6.000 4.241 4.241 4.241 . 0 0 "[ ]" 1
866 1 70 LEU QD 1 74 ALA H 5.000 . 5.000 3.710 3.710 3.710 . 0 0 "[ ]" 1
867 1 70 LEU HG 1 71 GLY H 0.000 . 3.500 2.360 2.360 2.360 . 0 0 "[ ]" 1
868 1 71 GLY H 1 72 GLU H 0.000 . 3.500 2.602 2.602 2.602 . 0 0 "[ ]" 1
869 1 71 GLY H 1 72 GLU QG 5.000 . 5.000 4.486 4.486 4.486 . 0 0 "[ ]" 1
870 1 71 GLY H 1 73 PHE H 0.000 . 5.000 4.051 4.051 4.051 . 0 0 "[ ]" 1
871 1 71 GLY H 1 74 ALA H 0.000 . 5.000 4.782 4.782 4.782 . 0 0 "[ ]" 1
872 1 71 GLY H 1 74 ALA MB 6.000 . 6.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
873 1 71 GLY QA 1 72 GLU H 0.000 . 5.000 2.907 2.907 2.907 . 0 0 "[ ]" 1
874 1 71 GLY QA 1 73 PHE H 0.000 . 5.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
875 1 71 GLY QA 1 74 ALA H 0.000 . 3.500 3.108 3.108 3.108 . 0 0 "[ ]" 1
876 1 72 GLU H 1 72 GLU HB2 0.000 . 3.500 2.146 2.146 2.146 . 0 0 "[ ]" 1
877 1 72 GLU H 1 72 GLU HB3 3.500 . 3.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
878 1 72 GLU H 1 72 GLU QG 0.000 . 3.500 2.862 2.862 2.862 . 0 0 "[ ]" 1
879 1 72 GLU H 1 73 PHE H 0.000 . 3.500 2.269 2.269 2.269 . 0 0 "[ ]" 1
880 1 72 GLU H 1 73 PHE HA 0.000 . 5.000 5.010 5.010 5.010 0.010 1 0 "[ ]" 1
881 1 72 GLU H 1 73 PHE HB2 0.000 . 5.000 4.528 4.528 4.528 . 0 0 "[ ]" 1
882 1 72 GLU H 1 73 PHE QD 6.000 . 6.000 2.467 2.467 2.467 . 0 0 "[ ]" 1
883 1 72 GLU H 1 74 ALA H 0.000 . 3.500 3.690 3.690 3.690 0.190 1 0 "[ ]" 1
884 1 72 GLU H 1 74 ALA MB 0.000 . 6.000 5.033 5.033 5.033 . 0 0 "[ ]" 1
885 1 72 GLU HA 1 73 PHE H 0.000 . 3.500 3.425 3.425 3.425 . 0 0 "[ ]" 1
886 1 72 GLU HA 1 73 PHE HA 0.000 . 5.000 4.705 4.705 4.705 . 0 0 "[ ]" 1
887 1 72 GLU HA 1 74 ALA H 0.000 . 5.000 4.101 4.101 4.101 . 0 0 "[ ]" 1
888 1 72 GLU HB2 1 73 PHE H 0.000 . 3.500 3.117 3.117 3.117 . 0 0 "[ ]" 1
889 1 72 GLU HB2 1 73 PHE QD 5.000 . 5.000 2.971 2.971 2.971 . 0 0 "[ ]" 1
890 1 72 GLU HB2 1 73 PHE QE 5.000 . 5.000 2.886 2.886 2.886 . 0 0 "[ ]" 1
891 1 72 GLU HB2 1 74 ALA H 5.000 . 5.000 5.002 5.002 5.002 0.002 1 0 "[ ]" 1
892 1 72 GLU QG 1 73 PHE H 0.000 . 5.000 4.324 4.324 4.324 . 0 0 "[ ]" 1
893 1 73 PHE H 1 73 PHE HB2 0.000 . 2.700 2.527 2.527 2.527 . 0 0 "[ ]" 1
894 1 73 PHE H 1 73 PHE QD 5.000 . 5.000 1.747 1.747 1.747 . 0 0 "[ ]" 1
895 1 73 PHE H 1 74 ALA H 0.000 . 2.700 2.104 2.104 2.104 . 0 0 "[ ]" 1
896 1 73 PHE H 1 74 ALA HA 0.000 . 5.000 4.902 4.902 4.902 . 0 0 "[ ]" 1
897 1 73 PHE H 1 74 ALA MB 0.000 . 5.000 3.877 3.877 3.877 . 0 0 "[ ]" 1
898 1 73 PHE H 1 75 PRO QD 0.000 . 5.000 3.358 3.358 3.358 . 0 0 "[ ]" 1
899 1 73 PHE H 1 75 PRO QG 5.000 . 5.000 4.489 4.489 4.489 . 0 0 "[ ]" 1
900 1 73 PHE HA 1 74 ALA H 0.000 . 3.500 3.482 3.482 3.482 . 0 0 "[ ]" 1
901 1 73 PHE HA 1 75 PRO QD 0.000 . 5.000 3.145 3.145 3.145 . 0 0 "[ ]" 1
902 1 73 PHE HB2 1 74 ALA H 0.000 . 5.000 2.992 2.992 2.992 . 0 0 "[ ]" 1
903 1 73 PHE HB2 1 74 ALA MB 6.000 . 6.000 3.394 3.394 3.394 . 0 0 "[ ]" 1
904 1 73 PHE HB3 1 73 PHE QE 0.000 . 5.000 4.417 4.417 4.417 . 0 0 "[ ]" 1
905 1 74 ALA H 1 74 ALA MB 0.000 . 3.500 2.387 2.387 2.387 . 0 0 "[ ]" 1
906 1 74 ALA H 1 75 PRO QB 6.000 . 6.000 4.375 4.375 4.375 . 0 0 "[ ]" 1
907 1 74 ALA H 1 75 PRO QD 3.500 . 3.500 2.301 2.301 2.301 . 0 0 "[ ]" 1
908 1 74 ALA H 1 75 PRO QG 5.000 . 5.000 4.001 4.001 4.001 . 0 0 "[ ]" 1
909 1 74 ALA H 1 76 THR H 5.000 . 5.000 5.108 5.108 5.108 0.108 1 0 "[ ]" 1
910 1 74 ALA HA 1 75 PRO HA 5.000 . 5.000 4.694 4.694 4.694 . 0 0 "[ ]" 1
911 1 74 ALA HA 1 75 PRO QB 6.000 . 6.000 5.101 5.101 5.101 . 0 0 "[ ]" 1
912 1 74 ALA HA 1 75 PRO QD 0.000 . 3.500 2.569 2.569 2.569 . 0 0 "[ ]" 1
913 1 74 ALA HA 1 75 PRO QG 0.000 . 5.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
914 1 74 ALA MB 1 75 PRO QD 0.000 . 5.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
915 1 74 ALA MB 1 76 THR H 0.000 . 6.000 3.617 3.617 3.617 . 0 0 "[ ]" 1
916 1 75 PRO HA 1 76 THR H 0.000 . 2.700 2.758 2.758 2.758 0.058 1 0 "[ ]" 1
917 1 75 PRO HA 1 76 THR HA 6.000 . 6.000 4.647 4.647 4.647 . 0 0 "[ ]" 1
918 1 75 PRO QB 1 76 THR H 0.000 . 5.000 4.016 4.016 4.016 . 0 0 "[ ]" 1
919 1 75 PRO QD 1 76 THR H 0.000 . 5.000 3.657 3.657 3.657 . 0 0 "[ ]" 1
920 1 75 PRO QG 1 76 THR H 0.000 . 5.000 4.469 4.469 4.469 . 0 0 "[ ]" 1
921 1 76 THR H 1 76 THR HB 0.000 . 3.500 2.556 2.556 2.556 . 0 0 "[ ]" 1
922 1 76 THR H 1 77 ARG H 0.000 . 5.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
923 1 76 THR HA 1 77 ARG H 0.000 . 3.500 2.590 2.590 2.590 . 0 0 "[ ]" 1
924 1 76 THR HB 1 77 ARG H 5.000 . 5.000 4.393 4.393 4.393 . 0 0 "[ ]" 1
925 1 76 THR MG 1 77 ARG H 0.000 . 6.000 4.016 4.016 4.016 . 0 0 "[ ]" 1
926 1 76 THR MG 1 77 ARG QB 6.000 . 6.000 3.165 3.165 3.165 . 0 0 "[ ]" 1
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