NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
650119 |
6o6w   |
30584 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6o6w
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 261
_Distance_constraint_stats_list.Viol_count 5220
_Distance_constraint_stats_list.Viol_total 149329.766
_Distance_constraint_stats_list.Viol_max 3.417
_Distance_constraint_stats_list.Viol_rms 0.9123
_Distance_constraint_stats_list.Viol_average_all_restraints 1.4304
_Distance_constraint_stats_list.Viol_average_violations_only 1.4304
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LYS 5.650 0.314 8 0 "[ . 1 . 2]"
1 5 THR 52.554 2.693 13 20 [****-*******+*******]
1 6 VAL 111.775 3.417 5 20 [****+*-*************]
1 7 SER 59.221 3.417 5 20 [****+*-*************]
1 9 PRO 55.625 2.874 12 20 [***********+**-*****]
1 10 THR 163.840 2.874 12 20 [***********+**-*****]
1 11 THR 214.519 3.036 15 20 [*************-+*****]
1 12 VAL 134.734 3.259 4 20 [***+*************-**]
1 13 ALA 115.419 3.259 4 20 [*-*+****************]
1 14 PHE 168.520 2.682 5 20 [***-+***************]
1 15 ASP 98.408 2.586 12 20 [*******-***+********]
1 16 VAL 31.259 2.030 2 20 [*+****************-*]
1 17 ARG 154.905 2.363 8 20 [*******+-***********]
1 18 PRO 95.778 2.274 19 20 [**************-***+*]
1 19 GLY 85.866 2.274 19 20 [****************-*+*]
1 20 GLY 59.734 2.043 8 20 [*******+************]
1 21 VAL 134.564 2.856 5 20 [****+**-************]
1 22 VAL 161.011 2.935 17 20 [********-*******+***]
1 23 HIS 155.409 2.935 17 20 [*****-**********+***]
1 24 SER 98.028 2.667 11 20 [*****-****+*********]
1 25 PHE 139.810 2.667 11 20 [**********+********-]
1 26 SER 3.942 1.247 16 1 "[ . 1 .+ 2]"
1 27 HIS 19.866 0.604 10 14 "[ **** *-+* *** ** *]"
1 28 ASN 93.990 2.440 13 20 [*********-**+*******]
1 29 VAL 40.849 2.548 8 19 [**-****+*1**********]
1 30 GLY 6.533 0.394 6 0 "[ . 1 . 2]"
1 31 PRO 82.562 2.219 5 20 [-***+***************]
1 32 GLY 44.034 2.219 5 20 [****+********-******]
1 33 ASP 60.153 2.440 13 20 [************+*****-*]
1 34 LYS 26.252 1.510 17 9 "[- ** 1 ***+**2]"
1 35 TYR 77.208 2.658 16 20 [***************+***-]
1 36 THR 169.381 2.705 16 20 [*********-*****+****]
1 37 CYS 147.886 2.806 7 20 [******+*-***********]
1 38 MET 110.225 2.331 17 20 [*****-**********+***]
1 39 PHE 152.762 2.657 5 20 [****+***-***********]
1 40 THR 147.630 2.680 20 20 [*******************+]
1 41 TYR 178.335 3.049 8 20 [*******+-***********]
1 42 ALA 80.649 2.615 5 20 [****+-**************]
1 43 SER 110.895 2.693 8 20 [*******+-***********]
1 44 GLN 192.297 2.693 8 20 [*******+*-**********]
1 47 THR 51.564 2.619 8 20 [*******+*****-******]
1 48 ASN 127.593 2.619 8 20 [*******+-***********]
1 49 GLU 186.712 2.940 18 20 [************-****+**]
1 50 GLN 81.346 3.071 2 20 [*+***************-**]
1 51 TRP 576.265 3.186 3 20 [**+*********-*******]
1 52 GLN 227.720 3.036 15 20 [**************+-****]
1 53 MET 36.904 1.483 20 20 [*-*****************+]
1 54 SER 82.423 2.950 17 20 [****************+**-]
1 55 LEU 232.831 2.980 20 20 [*****************-*+]
1 56 GLY 131.812 2.231 2 20 [*+*****************-]
1 57 THR 99.540 2.898 2 20 [*+*********-********]
1 58 SER 122.714 2.580 11 20 [**********+*********]
1 59 GLU 155.584 3.006 11 20 [-*********+*********]
1 60 ASP 61.922 2.001 11 20 [**********+-********]
1 61 HIS 73.194 3.006 11 20 [******-***+*********]
1 62 GLN 97.155 1.837 3 20 [**+****************-]
1 63 HIS 56.545 1.816 12 20 [*********-*+********]
1 64 PHE 232.415 3.231 6 20 [*****+****-*********]
1 65 THR 101.552 3.113 2 20 [*+*****************-]
1 66 CYS 206.060 3.113 2 20 [*+***************-**]
1 67 THR 207.860 2.988 14 20 [**-**********+******]
1 68 ILE 194.969 2.988 14 20 [*************+*****-]
1 69 TRP 451.930 2.946 3 20 [**+**************-**]
1 70 ARG 224.843 2.827 9 20 [*-******+***********]
1 71 PRO 168.047 2.220 20 20 [************-******+]
1 72 GLN 129.811 2.546 12 20 [***********+-*******]
1 74 LYS 109.234 2.807 5 20 [****+***********-***]
1 75 SER 18.072 1.879 19 16 "[ *-** ****** ****+*]"
1 76 TYR 53.258 2.807 5 20 [****+********-******]
1 77 LEU 44.838 2.282 14 20 [******-******+******]
1 78 TYR 44.838 2.282 14 20 [******-******+******]
1 79 PHE 79.195 2.651 20 20 [********-**********+]
1 80 THR 52.256 2.651 20 20 [*****************-*+]
1 81 GLN 339.206 3.120 17 20 [********-*******+***]
1 82 PHE 114.848 3.120 17 20 [****************+***]
1 83 LYS 212.503 2.967 19 20 [******************+*]
1 84 ALA 121.688 2.791 16 20 [********-******+****]
1 85 GLU 109.113 2.662 9 20 [********+***********]
1 86 VAL 96.048 3.231 6 20 [*****+****-*********]
1 87 ARG 67.565 2.392 20 20 [*********-*********+]
1 88 GLY 19.624 1.418 18 20 [*****************+*-]
1 90 GLU 73.485 3.122 20 20 [***********-*******+]
1 91 ILE 125.392 3.122 20 20 [**-****************+]
1 92 GLU 63.647 2.640 20 20 [*-*****************+]
1 93 TYR 102.096 2.669 4 20 [***+***************-]
1 94 ALA 52.948 2.669 4 20 [***+*********-******]
1 95 MET 122.374 2.687 12 20 [*******-***+********]
1 96 ALA 105.611 2.687 12 20 [*******-***+********]
1 97 TYR 76.470 2.669 4 20 [***+************-***]
1 98 SER 32.982 2.316 20 18 "[*************** -* +]"
1 99 LYS 13.760 1.524 10 18 "[* *-*****+** *******]"
1 100 ALA 50.996 2.601 16 20 [********-******+****]
1 101 ALA 126.428 2.620 4 20 [**-+****************]
1 102 PHE 154.924 2.712 13 20 [**********-*+*******]
1 103 GLU 179.528 2.811 1 20 [+*-*****************]
1 104 ARG 72.561 2.811 1 20 [+*********-*********]
1 105 GLU 13.241 1.108 15 18 "[******** 1-***+*****]"
1 107 ASP 80.931 2.934 12 20 [**-********+********]
1 108 VAL 102.192 2.934 12 20 [******-****+********]
1 109 PRO 44.571 2.284 11 20 [******-***+*********]
1 111 LYS 124.470 3.248 11 20 [**********+********-]
1 112 THR 109.679 3.248 11 20 [**********+*********]
1 113 GLU 17.034 1.019 10 12 "[*-**.* **+ * ** *]"
1 114 GLU 114.363 3.193 7 20 [******+***-*********]
1 115 PHE 11.614 0.707 4 17 "[***+**- ******* ** *]"
1 116 GLU 88.966 2.649 7 20 [******+***-*********]
1 117 VAL 125.017 3.262 7 20 [**-***+*************]
1 118 THR 111.409 3.262 7 20 [**-***+*************]
1 119 LYS 122.272 2.519 15 20 [**************+****-]
1 120 THR 38.990 2.195 10 20 [*********+*********-]
1 121 ALA 2.061 0.345 6 0 "[ . 1 . 2]"
1 122 VAL 15.496 0.801 10 15 "[* -******+ ** .** **]"
1 123 ALA 15.671 0.968 20 20 [************-******+]
1 124 HIS 82.734 2.878 9 20 [******-*+***********]
1 125 ARG 152.759 2.397 11 20 [**********+****-****]
1 126 PRO 119.458 2.397 11 20 [****-*****+*********]
1 128 ALA 51.433 3.193 7 20 [******+*********-***]
1 129 PHE 56.972 2.303 1 20 [+*********-*********]
1 130 LYS 52.159 2.015 9 20 [********+********-**]
1 133 LEU 99.432 3.186 3 20 [**+**********-******]
1 134 SER 61.272 3.113 14 20 [*-***********+******]
1 135 LYS 36.983 1.494 8 20 [*******+********-***]
1 136 LEU 88.928 2.359 19 20 [*************-****+*]
1 137 VAL 110.871 2.359 19 20 [**-***************+*]
1 138 ILE 34.933 1.507 20 20 [******************-+]
1 139 VAL 101.372 2.643 11 20 [**********+********-]
1 140 ALA 95.546 2.643 11 20 [***-******+*********]
1 141 LYS 52.818 1.816 12 20 [*********-*+********]
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 3 LYS QB 1 3 LYS QG . . 1.800 2.082 2.043 2.114 0.314 8 0 "[ . 1 . 2]" 1
2 1 5 THR HA 1 6 VAL HA . . 1.800 4.428 4.316 4.493 2.693 13 20 [****-*******+*******] 1
3 1 6 VAL HB 1 7 SER HA . . 1.800 4.761 4.235 5.217 3.417 5 20 [****+*-*************] 1
4 1 9 PRO HA 1 10 THR HB . . 1.800 4.581 4.346 4.674 2.874 12 20 [***********+**-*****] 1
5 1 10 THR HA 1 11 THR HB . . 1.800 4.591 4.514 4.627 2.827 5 20 [****+*********-*****] 1
6 1 10 THR HA 1 11 THR HA . . 1.800 4.420 4.400 4.444 2.644 16 20 [*********-*****+****] 1
7 1 11 THR HA 1 12 VAL HA . . 1.800 4.412 4.385 4.423 2.623 7 20 [******+*******-*****] 1
8 1 11 THR HB 1 52 GLN QE . . 1.800 4.503 3.781 4.836 3.036 15 20 [*************-+*****] 1
9 1 12 VAL N 1 53 MET O . . 1.800 2.823 2.749 2.922 1.122 17 20 [****************+-**] 1
10 1 12 VAL HB 1 13 ALA HA . . 1.800 4.902 4.529 5.059 3.259 4 20 [***+****-***********] 1
11 1 13 ALA HA 1 14 PHE HA . . 1.800 4.469 4.451 4.482 2.682 5 20 [*-**+***************] 1
12 1 14 PHE N 1 51 TRP O . . 1.800 3.017 2.852 3.143 1.343 1 20 [+-******************] 1
13 1 14 PHE HZ 1 51 TRP QB . . 1.800 2.603 2.426 2.989 1.189 9 20 [***-****+***********] 1
14 1 14 PHE HA 1 15 ASP HA . . 1.800 4.365 4.312 4.386 2.586 12 20 [*-*********+********] 1
15 1 15 ASP QB 1 17 ARG QD . . 1.800 3.151 3.035 3.386 1.586 20 20 [****************-**+] 1
16 1 15 ASP HA 1 50 GLN HA . . 1.800 2.804 2.455 2.992 1.192 14 20 [*******-*****+******] 1
17 1 16 VAL HB 1 51 TRP HD1 . . 1.800 3.363 2.826 3.830 2.030 2 20 [*+****************-*] 1
18 1 17 ARG HA 1 18 PRO QD . . 1.800 2.107 2.072 2.135 0.335 17 0 "[ . 1 . 2]" 1
19 1 17 ARG HA 1 18 PRO QG . . 1.800 4.024 3.988 4.055 2.255 17 20 [**************-*+***] 1
20 1 17 ARG HA 1 17 ARG QD . . 1.800 3.904 2.338 4.163 2.363 8 20 [*******+**-*********] 1
21 1 17 ARG HA 1 17 ARG QG . . 1.800 2.394 2.325 2.712 0.912 11 20 [*********-+*********] 1
22 1 17 ARG QG 1 48 ASN QD . . 1.800 2.064 1.777 3.278 1.478 11 3 "[ . -1+ . *2]" 1
23 1 17 ARG QB 1 17 ARG QG . . 1.800 2.111 2.081 2.121 0.321 4 0 "[ . 1 . 2]" 1
24 1 17 ARG QB 1 17 ARG QD . . 1.800 2.388 2.308 2.631 0.831 11 20 [*********-+*********] 1
25 1 18 PRO HA 1 19 GLY QA . . 1.800 4.058 4.034 4.074 2.274 19 20 [**************-***+*] 1
26 1 19 GLY QA 1 20 GLY QA . . 1.800 3.836 3.815 3.843 2.043 8 20 [*******+********-***] 1
27 1 20 GLY QA 1 44 GLN QE . . 1.800 2.751 1.947 3.276 1.476 18 13 "[** ****- 1 ** ***+ 2]" 1
28 1 21 VAL HB 1 23 HIS HD2 . . 1.800 3.772 3.602 3.831 2.031 5 20 [****+****-**********] 1
29 1 21 VAL HA 1 22 VAL HB . . 1.800 4.628 4.583 4.656 2.856 5 20 [****+********-******] 1
30 1 21 VAL HB 1 23 HIS HE1 . . 1.800 3.729 3.469 3.974 2.174 6 20 [*****+*-************] 1
31 1 22 VAL HA 1 23 HIS HD2 . . 1.800 4.475 4.238 4.735 2.935 17 20 [**-*************+***] 1
32 1 22 VAL HB 1 81 GLN QE . . 1.800 4.347 3.894 4.487 2.687 20 20 [********-**********+] 1
33 1 23 HIS N 1 41 TYR O . . 1.800 2.994 2.866 3.157 1.357 5 20 [****+-**************] 1
34 1 24 SER HA 1 25 PHE QB . . 1.800 4.066 3.948 4.365 2.565 4 20 [***+*-**************] 1
35 1 24 SER HA 1 25 PHE HA . . 1.800 4.436 4.410 4.467 2.667 11 20 [*******-**+*********] 1
36 1 25 PHE N 1 39 PHE O . . 1.800 2.862 2.782 3.102 1.302 5 20 [****+**********-****] 1
37 1 26 SER QB 1 38 MET QG . . 1.800 1.997 1.808 3.047 1.247 16 1 "[ . 1 .+ 2]" 1
38 1 27 HIS N 1 37 CYS O . 2.700 2.700 3.175 3.087 3.233 0.533 2 6 "[ + * *-* * 2]" 1
39 1 28 ASN HA 1 28 ASN QD . . 1.800 2.359 2.155 3.200 1.400 4 6 "[ +. **1 .- **2]" 1
40 1 28 ASN QD 1 33 ASP QB . . 1.800 2.715 2.045 2.978 1.178 10 19 "[*** *****+********-*]" 1
41 1 28 ASN QD 1 33 ASP HA . . 1.800 3.893 3.346 4.240 2.440 13 20 [************+****-**] 1
42 1 28 ASN QD 1 36 THR HA . . 1.800 2.932 2.230 3.809 2.009 20 17 "[****** **- ** *****+]" 1
43 1 29 VAL HB 1 55 LEU QB . . 1.800 3.588 2.296 4.348 2.548 8 19 [**-****+*1**********] 1
44 1 29 VAL N 1 35 TYR O . 2.700 2.700 2.954 2.822 3.141 0.441 3 0 "[ . 1 . 2]" 1
45 1 30 GLY QA 1 31 PRO QD . . 1.800 2.127 2.002 2.194 0.394 6 0 "[ . 1 . 2]" 1
46 1 31 PRO HA 1 32 GLY QA . . 1.800 4.002 3.987 4.019 2.219 5 20 [****+********-******] 1
47 1 31 PRO HA 1 31 PRO QD . . 1.800 3.400 3.379 3.414 1.614 11 20 [-*********+*********] 1
48 1 34 LYS QB 1 34 LYS QG . . 1.800 2.099 2.042 2.114 0.314 6 0 "[ . 1 . 2]" 1
49 1 34 LYS QB 1 34 LYS QD . . 1.800 2.199 2.120 2.293 0.493 16 0 "[ . 1 . 2]" 1
50 1 34 LYS HA 1 34 LYS QG . . 1.800 2.415 2.246 3.310 1.510 17 9 "[- ** 1 ***+**2]" 1
51 1 35 TYR HA 1 36 THR HA . . 1.800 4.425 4.405 4.458 2.658 16 20 [-**************+****] 1
52 1 35 TYR HA 1 88 GLY QA . . 1.800 2.781 2.509 3.218 1.418 18 20 [*****************+*-] 1
53 1 36 THR HA 1 37 CYS HA . . 1.800 4.446 4.429 4.505 2.705 16 20 [*********-*****+****] 1
54 1 36 THR N 1 87 ARG O . . 1.800 3.195 3.057 3.324 1.524 7 20 [******+************-] 1
55 1 36 THR HB 1 87 ARG QB . . 1.800 2.471 2.023 4.192 2.392 20 6 "[ * . *- .* *+]" 1
56 1 27 HIS O 1 37 CYS N . 2.700 2.700 3.218 3.085 3.304 0.604 10 14 "[ **** **+* *-* ** *]" 1
57 1 37 CYS HA 1 86 VAL HA . . 1.800 2.570 2.385 2.636 0.836 14 20 [*************+****-*] 1
58 1 37 CYS QB 1 64 PHE HZ . . 1.800 2.896 1.891 4.606 2.806 7 9 "[-** . + ** . ** *]" 1
59 1 37 CYS HA 1 64 PHE HZ . . 1.800 3.689 2.876 4.320 2.520 2 20 [*+***********-******] 1
60 1 38 MET QB 1 38 MET QG . . 1.800 2.100 1.996 2.112 0.312 15 0 "[ . 1 . 2]" 1
61 1 38 MET HA 1 38 MET QG . . 1.800 2.441 2.324 3.296 1.496 16 20 [*****-*********+****] 1
62 1 38 MET N 1 85 GLU O . . 1.800 2.765 2.723 2.851 1.051 5 20 [****+***-***********] 1
63 1 38 MET QB 1 39 PHE HA . . 1.800 4.059 3.895 4.131 2.331 17 20 [****************+*-*] 1
64 1 39 PHE HA 1 40 THR HA . . 1.800 4.431 4.413 4.457 2.657 5 20 [****+*************-*] 1
65 1 25 PHE O 1 39 PHE N . . 1.800 2.827 2.736 2.955 1.155 5 20 [****+**************-] 1
66 1 39 PHE HA 1 84 ALA HA . . 1.800 2.459 2.282 2.623 0.823 1 18 "[+*******-**** ** ***]" 1
67 1 40 THR N 1 83 LYS O . . 1.800 2.913 2.805 3.129 1.329 11 20 [**********+****-****] 1
68 1 40 THR HA 1 41 TYR HA . . 1.800 4.457 4.430 4.480 2.680 20 20 [********-**********+] 1
69 1 41 TYR HA 1 82 PHE HA . . 1.800 2.250 2.080 3.142 1.342 9 2 "[ . +1 . - 2]" 1
70 1 41 TYR HA 1 81 GLN QE . . 1.800 3.921 2.136 4.849 3.049 8 19 [****.**+-***********] 1
71 1 41 TYR QB 1 42 ALA HA . . 1.800 4.294 4.187 4.415 2.615 5 20 [****+*************-*] 1
72 1 43 SER HA 1 79 PHE HA . . 1.800 2.375 2.097 2.612 0.812 19 15 "[* ******-1* **** +*]" 1
73 1 43 SER HA 1 44 GLN HA . . 1.800 4.440 4.399 4.493 2.693 8 20 [*****-*+************] 1
74 1 43 SER QB 1 44 GLN HA . . 1.800 4.131 3.982 4.227 2.427 19 20 [*******-**********+*] 1
75 1 44 GLN HA 1 44 GLN QG . . 1.800 2.709 2.167 2.832 1.032 11 18 "[******* **+** ***-**]" 1
76 1 44 GLN QB 1 44 GLN QE . . 1.800 3.150 2.190 3.640 1.840 1 15 "[+* ***** - ******* 2]" 1
77 1 44 GLN QB 1 44 GLN QG . . 1.800 2.039 2.032 2.092 0.292 8 0 "[ . 1 . 2]" 1
78 1 44 GLN HA 1 44 GLN QE . . 1.800 2.995 2.730 3.457 1.657 8 20 [*******+*********-**] 1
79 1 47 THR HA 1 48 ASN HA . . 1.800 4.378 4.329 4.419 2.619 8 20 [*******+*****-******] 1
80 1 48 ASN HA 1 48 ASN QD . . 1.800 2.979 2.210 4.228 2.428 19 16 "[***** **** * *-**+*]" 1
81 1 48 ASN HA 1 49 GLU QB . . 1.800 4.156 3.801 4.409 2.609 7 20 [******+*********-***] 1
82 1 49 GLU HA 1 49 GLU QG . . 1.800 2.432 2.104 2.937 1.137 19 9 "[ * **** - . * +*]" 1
83 1 49 GLU QB 1 49 GLU QG . . 1.800 2.042 2.014 2.101 0.301 2 0 "[ . 1 . 2]" 1
84 1 49 GLU QB 1 51 TRP HD1 . . 1.800 2.720 2.305 3.199 1.399 8 20 [*******+****-*******] 1
85 1 49 GLU HA 1 51 TRP HD1 . . 1.800 4.506 4.313 4.706 2.906 20 20 [****-**************+] 1
86 1 49 GLU QG 1 51 TRP HD1 . . 1.800 4.280 2.379 4.740 2.940 18 20 [*****-***********+**] 1
87 1 50 GLN HA 1 50 GLN QE . . 1.800 4.192 3.014 4.871 3.071 2 20 [*+*******-**********] 1
88 1 50 GLN HA 1 50 GLN QG . . 1.800 2.471 2.228 3.337 1.537 2 18 "[*+**.******* ****-**]" 1
89 1 14 PHE O 1 51 TRP N . . 1.800 2.971 2.810 3.111 1.311 4 20 [***+**************-*] 1
90 1 51 TRP HE3 1 69 TRP HA . . 1.800 3.909 3.325 4.202 2.402 15 20 [*******-******+*****] 1
91 1 51 TRP HZ2 1 70 ARG QB . . 1.800 3.775 3.327 4.627 2.827 9 20 [********+**********-] 1
92 1 51 TRP HA 1 70 ARG HA . . 1.800 2.837 2.437 3.345 1.545 1 20 [+********-**********] 1
93 1 51 TRP HA 1 71 PRO QD . . 1.800 2.712 2.276 3.406 1.606 9 18 "[********+****** **-2]" 1
94 1 51 TRP HZ2 1 75 SER QB . . 1.800 2.704 1.921 3.679 1.879 19 16 "[ *-** ****** ****+*]" 1
95 1 51 TRP HZ2 1 79 PHE HZ . . 1.800 2.572 2.054 3.458 1.658 2 15 "[*+*** ***1*-* .*** *]" 1
96 1 51 TRP HA 1 51 TRP HE3 . . 1.800 4.158 3.885 4.379 2.579 8 20 [*******+-***********] 1
97 1 51 TRP HH2 1 133 LEU HG . . 1.800 3.536 2.308 4.986 3.186 3 20 [**+**********-******] 1
98 1 51 TRP HH2 1 133 LEU QB . . 1.800 3.386 2.396 4.780 2.980 19 20 [**********-*******+*] 1
99 1 51 TRP HH2 1 134 SER HA . . 1.800 2.584 2.059 3.674 1.874 14 15 "[*-*** ******+.*** 2]" 1
100 1 51 TRP HZ2 1 134 SER HA . . 1.800 4.080 3.398 4.913 3.113 14 20 [*************+*-****] 1
101 1 51 TRP HA 1 51 TRP HD1 . . 1.800 3.301 3.140 3.523 1.723 9 20 [*******-+***********] 1
102 1 52 GLN QB 1 69 TRP HH2 . . 1.800 3.397 3.032 4.095 2.295 17 20 [****-***********+***] 1
103 1 52 GLN QE 1 69 TRP HH2 . . 1.800 4.116 3.732 4.427 2.627 11 20 [**********+**-******] 1
104 1 52 GLN QB 1 69 TRP HZ2 . . 1.800 2.785 2.472 3.359 1.559 17 20 [***************-+***] 1
105 1 52 GLN N 1 69 TRP O . . 1.800 2.913 2.741 3.165 1.365 1 20 [+-******************] 1
106 1 52 GLN QE 1 69 TRP HZ2 . . 1.800 2.848 2.356 3.524 1.724 11 20 [**********+******-**] 1
107 1 52 GLN QB 1 52 GLN QE . . 1.800 2.389 2.015 2.931 1.131 5 12 "[*** + * **** *- *2]" 1
108 1 53 MET QB 1 53 MET QG . . 1.800 2.063 2.045 2.095 0.295 18 0 "[ . 1 . 2]" 1
109 1 53 MET HA 1 53 MET QG . . 1.800 2.360 2.258 3.283 1.483 20 15 "[*- *.******* ** **+]" 1
110 1 54 SER HA 1 55 LEU HG . . 1.800 3.767 3.442 4.750 2.950 17 20 [*********-******+***] 1
111 1 54 SER N 1 67 THR O . . 1.800 2.802 2.739 2.893 1.093 6 20 [*****+*************-] 1
112 1 55 LEU HA 1 56 GLY QA . . 1.800 3.926 3.905 3.969 2.169 17 20 [****************+*-*] 1
113 1 55 LEU QB 1 56 GLY QA . . 1.800 3.906 3.846 4.031 2.231 2 20 [*+*****-************] 1
114 1 55 LEU HA 1 66 CYS HA . . 1.800 2.760 2.426 2.972 1.172 20 20 [*****************-*+] 1
115 1 55 LEU HA 1 66 CYS QB . . 1.800 4.494 4.184 4.780 2.980 20 20 [*********-*********+] 1
116 1 56 GLY N 1 65 THR O . . 1.800 3.114 2.845 3.255 1.455 19 20 [*********-********+*] 1
117 1 57 THR HA 1 58 SER HA . . 1.800 4.340 4.318 4.380 2.580 11 20 [***-******+*********] 1
118 1 57 THR HB 1 64 PHE HA . . 1.800 4.237 3.750 4.698 2.898 2 20 [*+*********-********] 1
119 1 58 SER N 1 63 HIS O . . 1.800 2.874 2.621 3.201 1.401 6 20 [*****+****-*********] 1
120 1 58 SER HA 1 59 GLU HA . . 1.800 4.322 4.296 4.342 2.542 8 20 [*******+*****-******] 1
121 1 59 GLU HA 1 61 HIS HD2 . . 1.800 4.116 3.323 4.806 3.006 11 20 [**********+*****-***] 1
122 1 59 GLU HA 1 59 GLU QG . . 1.800 2.890 2.287 3.327 1.527 12 16 "[-********* +**.* **2]" 1
123 1 59 GLU QG 1 60 ASP HA . . 1.800 3.651 3.551 3.801 2.001 11 20 [**********+*-*******] 1
124 1 60 ASP QB 1 62 GLN QE . . 1.800 3.045 1.845 3.637 1.837 3 19 [**+********-*******2] 1
125 1 61 HIS QB 1 62 GLN QE . . 1.800 3.143 2.931 3.561 1.761 20 20 [******-************+] 1
126 1 62 GLN HA 1 62 GLN QG . . 1.800 2.776 2.225 2.972 1.172 6 16 "[** *+**** *******-]" 1
127 1 62 GLN HA 1 62 GLN QE . . 1.800 2.877 2.122 3.337 1.537 20 17 "[**- ****** *******+]" 1
128 1 62 GLN QB 1 62 GLN QG . . 1.800 2.017 1.979 2.029 0.229 17 0 "[ . 1 . 2]" 1
129 1 63 HIS HD2 1 141 LYS HA . . 1.800 2.786 1.964 3.616 1.816 12 16 "[* **** **1*+**** -**]" 1
130 1 63 HIS HA 1 141 LYS HA . . 1.800 2.567 2.172 3.052 1.252 17 18 "[ ********-* ****+***]" 1
131 1 64 PHE HZ 1 86 VAL HB . . 1.800 3.039 1.957 3.989 2.189 6 15 "[ * **+ ***-***** **2]" 1
132 1 64 PHE HZ 1 86 VAL HA . . 1.800 4.593 4.055 5.031 3.231 6 20 [*****+*************-] 1
133 1 64 PHE N 1 140 ALA O . . 1.800 2.942 2.742 3.306 1.506 17 20 [********-*******+***] 1
134 1 56 GLY O 1 65 THR N . . 1.800 2.844 2.765 2.976 1.176 2 20 [*+*****************-] 1
135 1 65 THR HB 1 66 CYS HA . . 1.800 4.519 4.454 4.913 3.113 2 20 [*+**********-*******] 1
136 1 66 CYS N 1 138 ILE O . . 1.800 2.857 2.786 3.034 1.234 20 20 [*-*****************+] 1
137 1 66 CYS HA 1 67 THR HB . . 1.800 4.673 4.516 4.766 2.966 7 20 [****-*+*************] 1
138 1 67 THR HA 1 68 ILE HB . . 1.800 4.627 4.557 4.788 2.988 14 20 [*-***********+******] 1
139 1 67 THR HB 1 69 TRP HE3 . . 1.800 3.503 3.294 3.734 1.934 5 20 [****+-**************] 1
140 1 54 SER O 1 67 THR N . . 1.800 2.952 2.778 3.073 1.273 20 20 [*************-*****+] 1
141 1 67 THR HA 1 137 VAL HA . . 1.800 2.636 2.388 3.049 1.249 5 20 [**-*+***************] 1
142 1 68 ILE HA 1 68 ILE QG . . 1.800 2.478 2.456 2.522 0.722 14 20 [*************+*****-] 1
143 1 68 ILE HB 1 69 TRP HA . . 1.800 4.666 4.520 4.746 2.946 3 20 [**+***-*************] 1
144 1 68 ILE N 1 136 LEU O . . 1.800 2.954 2.834 3.210 1.410 5 20 [****+************-**] 1
145 1 68 ILE HA 1 69 TRP HE3 . . 1.800 3.025 2.732 3.291 1.491 8 20 [*******+-***********] 1
146 1 52 GLN O 1 69 TRP N . . 1.800 2.836 2.728 2.915 1.115 11 20 [********-*+*********] 1
147 1 69 TRP HA 1 70 ARG HA . . 1.800 4.395 4.332 4.438 2.638 6 20 [-****+**************] 1
148 1 69 TRP HA 1 69 TRP HE3 . . 1.800 4.360 4.281 4.435 2.635 20 20 [********-**********+] 1
149 1 69 TRP HD1 1 71 PRO HA . . 1.800 3.243 2.928 3.601 1.801 5 20 [****+********-******] 1
150 1 70 ARG HA 1 70 ARG QG . . 1.800 2.413 2.280 3.326 1.526 10 17 "[*-* ** **+****.*****]" 1
151 1 70 ARG HA 1 71 PRO QG . . 1.800 3.962 3.881 4.020 2.220 20 20 [*********-*********+] 1
152 1 70 ARG QD 1 70 ARG QG . . 1.800 2.060 2.019 2.105 0.305 4 0 "[ . 1 . 2]" 1
153 1 70 ARG QB 1 70 ARG QD . . 1.800 2.177 2.078 2.268 0.468 10 0 "[ . 1 . 2]" 1
154 1 70 ARG HA 1 70 ARG QD . . 1.800 4.023 2.880 4.439 2.639 10 20 [-********+**********] 1
155 1 71 PRO HA 1 71 PRO QD . . 1.800 3.378 3.250 3.418 1.618 10 20 [*********+****-*****] 1
156 1 71 PRO QB 1 72 GLN QE . . 1.800 2.583 1.962 3.944 2.144 15 12 "[* * * * *-*+** **]" 1
157 1 71 PRO QG 1 72 GLN QE . . 1.800 3.139 1.885 3.579 1.779 20 18 "[**********-** .****+]" 1
158 1 71 PRO QD 1 71 PRO QG . . 1.800 1.985 1.971 1.991 0.191 7 0 "[ . 1 . 2]" 1
159 1 72 GLN QB 1 72 GLN QG . . 1.800 2.047 2.021 2.095 0.295 17 0 "[ . 1 . 2]" 1
160 1 72 GLN HA 1 72 GLN QE . . 1.800 3.595 3.021 4.346 2.546 12 20 [******-****+********] 1
161 1 72 GLN QB 1 72 GLN QE . . 1.800 3.368 2.109 3.679 1.879 13 19 [************+*.*-***] 1
162 1 72 GLN HA 1 72 GLN QG . . 1.800 2.559 2.159 3.400 1.600 1 13 "[+ * * *- ** ******]" 1
163 1 74 LYS QB 1 74 LYS QE . . 1.800 2.218 2.036 3.597 1.797 14 2 "[ . 1 +. -2]" 1
164 1 74 LYS QB 1 74 LYS QG . . 1.800 2.112 2.094 2.117 0.317 7 0 "[ . 1 . 2]" 1
165 1 74 LYS HA 1 74 LYS QG . . 1.800 3.334 3.320 3.369 1.569 2 20 [*+***********-******] 1
166 1 74 LYS QE 1 74 LYS QG . . 1.800 2.334 2.192 2.797 0.997 2 4 "[ + * 1 * . - 2]" 1
167 1 74 LYS QE 1 76 TYR HA . . 1.800 4.463 4.113 4.607 2.807 5 20 [****+********-******] 1
168 1 77 LEU HA 1 78 TYR QB . . 1.800 4.042 3.980 4.082 2.282 14 20 [******-******+******] 1
169 1 79 PHE HA 1 80 THR HA . . 1.800 4.413 4.384 4.451 2.651 20 20 [*****************-*+] 1
170 1 42 ALA O 1 81 GLN N . . 1.800 3.338 3.308 3.362 1.562 1 20 [+****-**************] 1
171 1 81 GLN QB 1 82 PHE HA . . 1.800 4.117 4.025 4.254 2.454 9 20 [********+******-****] 1
172 1 81 GLN QE 1 82 PHE HA . . 1.800 4.776 3.622 4.920 3.120 17 20 [****-***********+***] 1
173 1 81 GLN HA 1 124 HIS HD2 . . 1.800 4.302 3.964 4.678 2.878 9 20 [********+**********-] 1
174 1 81 GLN QB 1 81 GLN QE . . 1.800 3.230 3.075 3.685 1.885 5 20 [****+*********-*****] 1
175 1 81 GLN HA 1 81 GLN QG . . 1.800 3.329 3.319 3.421 1.621 5 20 [****+***********-***] 1
176 1 83 LYS QB 1 84 ALA HA . . 1.800 4.459 4.271 4.591 2.791 16 20 [**********-****+****] 1
177 1 83 LYS QB 1 83 LYS QE . . 1.800 2.625 2.046 3.656 1.856 19 7 "[ -* ** . *+*]" 1
178 1 83 LYS QB 1 83 LYS QG . . 1.800 2.107 2.037 2.125 0.325 3 0 "[ . 1 . 2]" 1
179 1 83 LYS HA 1 123 ALA HA . . 1.800 2.545 2.381 2.768 0.968 20 20 [************-******+] 1
180 1 83 LYS QE 1 83 LYS QG . . 1.800 2.294 2.081 2.686 0.886 14 3 "[ .* 1 +. -2]" 1
181 1 83 LYS HA 1 83 LYS QG . . 1.800 2.680 2.378 3.328 1.528 11 20 [***-******+*********] 1
182 1 40 THR O 1 83 LYS N . . 1.800 2.780 2.691 3.001 1.201 16 20 [***************+***-] 1
183 1 83 LYS HA 1 83 LYS QE . . 1.800 4.423 3.839 4.767 2.967 19 20 [*******-**********+*] 1
184 1 84 ALA HA 1 85 GLU HA . . 1.800 4.411 4.382 4.462 2.662 9 20 [****-***+***********] 1
185 1 84 ALA N 1 122 VAL O . 2.700 2.700 2.857 2.784 3.193 0.493 20 0 "[ . 1 . 2]" 1
186 1 38 MET O 1 85 GLU N . . 1.800 2.950 2.779 3.089 1.289 8 20 [*******+**********-*] 1
187 1 85 GLU HA 1 85 GLU QG . . 1.800 2.530 2.214 3.433 1.633 5 17 "[****+***-** *** * **]" 1
188 1 87 ARG QB 1 87 ARG QD . . 1.800 2.300 2.091 2.766 0.966 13 4 "[ * .- 1 + .* 2]" 1
189 1 87 ARG HA 1 87 ARG QD . . 1.800 2.612 2.014 3.842 2.042 7 7 "[ * * + 1* *- * 2]" 1
190 1 90 GLU HA 1 91 ILE HB . . 1.800 4.719 4.648 4.922 3.122 20 20 [*****************-*+] 1
191 1 90 GLU HA 1 90 GLU QG . . 1.800 2.555 2.108 3.329 1.529 11 15 "[** *.** *+-*******2]" 1
192 1 91 ILE HA 1 91 ILE QG . . 1.800 2.535 2.420 3.017 1.217 16 20 [**-************+****] 1
193 1 91 ILE HA 1 92 GLU HA . . 1.800 4.415 4.401 4.440 2.640 20 20 [*************-*****+] 1
194 1 92 GLU HA 1 92 GLU QG . . 1.800 2.367 2.281 2.443 0.643 9 19 "[*-******+******* ***]" 1
195 1 93 TYR HA 1 94 ALA HA . . 1.800 4.447 4.431 4.469 2.669 4 20 [***+*********-******] 1
196 1 93 TYR N 1 139 VAL O . . 1.800 3.214 3.124 3.317 1.517 17 20 [****-***********+***] 1
197 1 95 MET N 1 137 VAL O . . 1.800 3.040 2.879 3.223 1.423 13 20 [************+**-****] 1
198 1 95 MET HA 1 96 ALA HA . . 1.800 4.450 4.420 4.487 2.687 12 20 [***********+****-***] 1
199 1 95 MET HA 1 95 MET QG . . 1.800 2.586 2.144 3.318 1.518 3 17 "[* + ***-*** ********]" 1
200 1 95 MET QB 1 95 MET QG . . 1.800 2.070 2.026 2.119 0.319 20 0 "[ . 1 . 2]" 1
201 1 96 ALA HA 1 97 TYR HA . . 1.800 4.431 4.389 4.469 2.669 4 20 [***+***-************] 1
202 1 97 TYR N 1 135 LYS O . . 1.800 2.993 2.703 3.294 1.494 8 20 [*******+********-***] 1
203 1 98 SER HA 1 133 LEU HA . . 1.800 3.449 2.107 4.116 2.316 20 18 "[*************** -* +]" 1
204 1 99 LYS HA 1 99 LYS QG . . 1.800 2.488 2.178 3.324 1.524 10 18 "[* *-*****+** *******]" 1
205 1 100 ALA HA 1 101 ALA HA . . 1.800 4.350 4.314 4.401 2.601 16 20 [********-******+****] 1
206 1 101 ALA HA 1 102 PHE HA . . 1.800 4.406 4.391 4.420 2.620 4 20 [***+***********-****] 1
207 1 101 ALA HA 1 107 ASP HA . . 1.800 2.966 2.692 3.335 1.535 1 20 [+*-*****************] 1
208 1 102 PHE HA 1 103 GLU QB . . 1.800 4.373 4.078 4.512 2.712 13 20 [**********-*+*******] 1
209 1 102 PHE HA 1 103 GLU HA . . 1.800 4.367 4.330 4.394 2.594 17 20 [*************-**+***] 1
210 1 103 GLU HA 1 104 ARG HA . . 1.800 4.547 4.517 4.611 2.811 1 20 [+***********-*******] 1
211 1 103 GLU QB 1 103 GLU QG . . 1.800 2.056 2.015 2.111 0.311 9 0 "[ . 1 . 2]" 1
212 1 103 GLU HA 1 103 GLU QG . . 1.800 2.634 2.148 2.917 1.117 2 17 "[*+-***** **** ** ***]" 1
213 1 104 ARG HA 1 104 ARG QG . . 1.800 2.681 2.214 3.331 1.531 3 16 "[**+ ** *1-*********]" 1
214 1 105 GLU HA 1 105 GLU QG . . 1.800 2.462 2.261 2.908 1.108 15 18 "[******** 1-***+*****]" 1
215 1 107 ASP HA 1 108 VAL HB . . 1.800 4.681 4.618 4.734 2.934 12 20 [**********-+********] 1
216 1 108 VAL HA 1 109 PRO QG . . 1.800 4.029 4.001 4.084 2.284 11 20 [******-***+*********] 1
217 1 111 LYS HA 1 111 LYS QG . . 1.800 2.540 2.208 3.327 1.527 19 12 "[** *** * 1* ** *+-]" 1
218 1 111 LYS HA 1 112 THR HA . . 1.800 4.320 4.208 4.376 2.576 8 20 [*******+**-*********] 1
219 1 111 LYS HA 1 112 THR HB . . 1.800 4.764 4.559 5.048 3.248 11 20 [**********+-********] 1
220 1 113 GLU HA 1 113 GLU QG . . 1.800 2.378 2.247 2.819 1.019 10 12 "[*-**.* **+ * ** *]" 1
221 1 113 GLU QB 1 113 GLU QG . . 1.800 2.074 2.018 2.116 0.316 16 0 "[ . 1 . 2]" 1
222 1 114 GLU HA 1 129 PHE HA . . 1.800 3.461 2.571 4.103 2.303 1 20 [+***********-*******] 1
223 1 114 GLU QB 1 114 GLU QG . . 1.800 2.098 2.050 2.112 0.312 8 0 "[ . 1 . 2]" 1
224 1 114 GLU HA 1 128 ALA HA . . 1.800 4.372 3.514 4.993 3.193 7 20 [******+*********-***] 1
225 1 114 GLU QG 1 129 PHE HA . . 1.800 2.987 2.440 3.651 1.851 9 20 [********+*-*********] 1
226 1 115 PHE HA 1 124 HIS HA . . 1.800 2.381 2.130 2.507 0.707 4 17 "[***+**- ******* ** *]" 1
227 1 116 GLU N 1 123 ALA O . 2.700 2.700 2.736 2.681 2.787 0.087 16 0 "[ . 1 . 2]" 1
228 1 116 GLU HA 1 116 GLU QG . . 1.800 2.709 2.376 2.923 1.123 18 20 [**********-******+**] 1
229 1 116 GLU QB 1 116 GLU QG . . 1.800 2.063 2.030 2.117 0.317 1 0 "[ . 1 . 2]" 1
230 1 116 GLU QB 1 125 ARG QG . . 1.800 2.409 1.970 2.838 1.038 4 13 "[***+*** ***- . **]" 1
231 1 116 GLU HA 1 117 VAL HA . . 1.800 4.428 4.397 4.449 2.649 7 20 [******+*****-*******] 1
232 1 117 VAL HA 1 122 VAL HA . . 1.800 2.418 2.233 2.601 0.801 10 15 "[* -******+ ** .** **]" 1
233 1 117 VAL HB 1 118 THR HA . . 1.800 4.805 4.238 5.062 3.262 7 20 [******+******-******] 1
234 1 118 THR HA 1 119 LYS HA . . 1.800 4.263 4.197 4.319 2.519 15 20 [**-***********+*****] 1
235 1 118 THR N 1 121 ALA O . 2.700 2.700 2.803 2.715 3.045 0.345 6 0 "[ . 1 . 2]" 1
236 1 119 LYS HA 1 119 LYS QG . . 1.800 3.192 2.420 3.417 1.617 16 20 [***************+***-] 1
237 1 119 LYS QB 1 119 LYS QG . . 1.800 2.109 2.066 2.116 0.316 19 0 "[ . 1 . 2]" 1
238 1 119 LYS QG 1 120 THR HA . . 1.800 3.750 3.546 3.995 2.195 10 20 [*********+*********-] 1
239 1 124 HIS HD2 1 126 PRO HA . . 1.800 2.854 2.693 3.343 1.543 9 20 [****-***+***********] 1
240 1 125 ARG QD 1 125 ARG QG . . 1.800 2.050 2.021 2.112 0.312 20 0 "[ . 1 . 2]" 1
241 1 125 ARG HA 1 125 ARG QG . . 1.800 2.503 2.201 2.633 0.833 11 16 "[**********+* -* **]" 1
242 1 125 ARG QB 1 125 ARG QD . . 1.800 2.461 2.065 2.706 0.906 12 14 "[***********+ .-* 2]" 1
243 1 125 ARG HA 1 125 ARG QD . . 1.800 2.483 2.046 4.125 2.325 16 7 "[* .* - 1 * .+** 2]" 1
244 1 125 ARG HA 1 126 PRO QG . . 1.800 4.031 3.986 4.090 2.290 9 20 [********+***-*******] 1
245 1 125 ARG HA 1 126 PRO QD . . 1.800 2.116 2.072 2.167 0.367 9 0 "[ . 1 . 2]" 1
246 1 125 ARG QG 1 126 PRO QD . . 1.800 3.985 3.397 4.197 2.397 11 20 [**********+*****-***] 1
247 1 126 PRO QD 1 126 PRO QG . . 1.800 1.987 1.982 1.991 0.191 11 0 "[ . 1 . 2]" 1
248 1 130 LYS QB 1 130 LYS QE . . 1.800 3.321 2.057 3.815 2.015 9 16 "[** *.*- +1**********]" 1
249 1 130 LYS HA 1 130 LYS QG . . 1.800 2.422 2.187 3.321 1.521 2 12 "[ +*** * 1*** * *-*2]" 1
250 1 130 LYS QE 1 130 LYS QG . . 1.800 2.265 2.127 2.665 0.865 10 8 "[*- *.* + * * *2]" 1
251 1 135 LYS QD 1 135 LYS QE . . 1.800 2.080 2.030 2.113 0.313 8 0 "[ . 1 . 2]" 1
252 1 135 LYS QB 1 135 LYS QD . . 1.800 2.177 2.097 2.290 0.490 13 0 "[ . 1 . 2]" 1
253 1 68 ILE O 1 136 LEU N . . 1.800 2.798 2.712 2.914 1.114 17 20 [*************-**+***] 1
254 1 136 LEU QB 1 137 VAL HA . . 1.800 4.094 3.999 4.159 2.359 19 20 [**-***************+*] 1
255 1 95 MET O 1 137 VAL N . . 1.800 2.974 2.795 3.198 1.398 3 20 [**+*****-***********] 1
256 1 138 ILE HA 1 138 ILE QG . . 1.800 2.490 2.399 3.307 1.507 20 20 [******************-+] 1
257 1 93 TYR O 1 139 VAL N . . 1.800 2.843 2.757 2.891 1.091 7 20 [******+************-] 1
258 1 139 VAL HA 1 140 ALA HA . . 1.800 4.411 4.390 4.443 2.643 11 20 [*****-****+*********] 1
259 1 64 PHE O 1 140 ALA N . . 1.800 2.824 2.724 3.027 1.227 18 20 [***-*************+**] 1
260 1 141 LYS QB 1 141 LYS QG . . 1.800 2.105 2.050 2.118 0.318 19 0 "[ . 1 . 2]" 1
261 1 141 LYS HA 1 141 LYS QG . . 1.800 2.383 2.239 2.524 0.724 2 18 "[*+********* **-****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 1506
_Distance_constraint_stats_list.Viol_count 1392
_Distance_constraint_stats_list.Viol_total 1680.392
_Distance_constraint_stats_list.Viol_max 0.365
_Distance_constraint_stats_list.Viol_rms 0.0175
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0604
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 1.042 0.314 9 0 "[ . 1 . 2]"
1 8 GLU 1.042 0.314 9 0 "[ . 1 . 2]"
1 9 PRO 0.226 0.059 18 0 "[ . 1 . 2]"
1 10 THR 1.259 0.293 15 0 "[ . 1 . 2]"
1 11 THR 0.615 0.108 15 0 "[ . 1 . 2]"
1 12 VAL 0.727 0.080 14 0 "[ . 1 . 2]"
1 13 ALA 0.206 0.063 14 0 "[ . 1 . 2]"
1 14 PHE 1.147 0.155 20 0 "[ . 1 . 2]"
1 15 ASP 1.628 0.166 15 0 "[ . 1 . 2]"
1 16 VAL 0.067 0.059 19 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.396 0.050 12 0 "[ . 1 . 2]"
1 20 GLY 0.396 0.050 12 0 "[ . 1 . 2]"
1 21 VAL 0.016 0.016 14 0 "[ . 1 . 2]"
1 22 VAL 0.293 0.071 16 0 "[ . 1 . 2]"
1 23 HIS 0.648 0.090 1 0 "[ . 1 . 2]"
1 24 SER 0.006 0.006 10 0 "[ . 1 . 2]"
1 25 PHE 0.663 0.254 19 0 "[ . 1 . 2]"
1 26 SER 0.051 0.038 4 0 "[ . 1 . 2]"
1 27 HIS 3.752 0.131 19 0 "[ . 1 . 2]"
1 28 ASN 3.621 0.329 4 0 "[ . 1 . 2]"
1 29 VAL 2.394 0.329 4 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 0.412 0.205 18 0 "[ . 1 . 2]"
1 35 TYR 0.838 0.205 18 0 "[ . 1 . 2]"
1 36 THR 1.625 0.115 8 0 "[ . 1 . 2]"
1 37 CYS 4.191 0.144 15 0 "[ . 1 . 2]"
1 38 MET 2.658 0.127 9 0 "[ . 1 . 2]"
1 39 PHE 2.222 0.254 19 0 "[ . 1 . 2]"
1 40 THR 0.821 0.245 16 0 "[ . 1 . 2]"
1 41 TYR 0.994 0.245 16 0 "[ . 1 . 2]"
1 42 ALA 1.215 0.090 1 0 "[ . 1 . 2]"
1 43 SER 0.823 0.103 18 0 "[ . 1 . 2]"
1 44 GLN 1.572 0.325 6 0 "[ . 1 . 2]"
1 45 GLY 0.112 0.037 17 0 "[ . 1 . 2]"
1 46 GLY 0.177 0.072 14 0 "[ . 1 . 2]"
1 47 THR 0.853 0.112 8 0 "[ . 1 . 2]"
1 48 ASN 1.032 0.085 10 0 "[ . 1 . 2]"
1 49 GLU 1.598 0.104 15 0 "[ . 1 . 2]"
1 50 GLN 1.400 0.166 15 0 "[ . 1 . 2]"
1 51 TRP 3.650 0.245 18 0 "[ . 1 . 2]"
1 52 GLN 0.440 0.063 14 0 "[ . 1 . 2]"
1 53 MET 0.673 0.155 20 0 "[ . 1 . 2]"
1 54 SER 1.355 0.128 5 0 "[ . 1 . 2]"
1 55 LEU 3.353 0.293 15 0 "[ . 1 . 2]"
1 56 GLY 3.249 0.236 2 0 "[ . 1 . 2]"
1 57 THR 0.749 0.180 11 0 "[ . 1 . 2]"
1 58 SER 1.311 0.164 8 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 0.202 0.077 14 0 "[ . 1 . 2]"
1 61 HIS 1.638 0.180 11 0 "[ . 1 . 2]"
1 62 GLN 0.766 0.243 20 0 "[ . 1 . 2]"
1 63 HIS 2.015 0.243 20 0 "[ . 1 . 2]"
1 64 PHE 4.794 0.331 2 0 "[ . 1 . 2]"
1 65 THR 3.742 0.331 2 0 "[ . 1 . 2]"
1 66 CYS 4.055 0.236 2 0 "[ . 1 . 2]"
1 67 THR 2.310 0.129 9 0 "[ . 1 . 2]"
1 68 ILE 1.192 0.149 20 0 "[ . 1 . 2]"
1 69 TRP 4.517 0.245 18 0 "[ . 1 . 2]"
1 70 ARG 0.152 0.035 9 0 "[ . 1 . 2]"
1 71 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLN 0.118 0.045 14 0 "[ . 1 . 2]"
1 73 GLY 0.073 0.042 14 0 "[ . 1 . 2]"
1 74 LYS 0.045 0.045 14 0 "[ . 1 . 2]"
1 75 SER 2.204 0.260 10 0 "[ . 1 . 2]"
1 76 TYR 0.238 0.180 7 0 "[ . 1 . 2]"
1 77 LEU 3.149 0.260 10 0 "[ . 1 . 2]"
1 78 TYR 0.470 0.103 18 0 "[ . 1 . 2]"
1 79 PHE 0.434 0.087 19 0 "[ . 1 . 2]"
1 80 THR 0.597 0.325 6 0 "[ . 1 . 2]"
1 81 GLN 4.084 0.329 9 0 "[ . 1 . 2]"
1 82 PHE 3.543 0.200 7 0 "[ . 1 . 2]"
1 83 LYS 0.684 0.064 17 0 "[ . 1 . 2]"
1 84 ALA 1.121 0.127 9 0 "[ . 1 . 2]"
1 85 GLU 0.727 0.121 5 0 "[ . 1 . 2]"
1 86 VAL 3.704 0.216 9 0 "[ . 1 . 2]"
1 87 ARG 1.067 0.274 14 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ALA 0.845 0.134 11 0 "[ . 1 . 2]"
1 90 GLU 0.028 0.028 4 0 "[ . 1 . 2]"
1 91 ILE 0.617 0.178 17 0 "[ . 1 . 2]"
1 92 GLU 0.047 0.032 17 0 "[ . 1 . 2]"
1 93 TYR 1.155 0.151 17 0 "[ . 1 . 2]"
1 94 ALA 0.850 0.071 1 0 "[ . 1 . 2]"
1 95 MET 0.411 0.079 3 0 "[ . 1 . 2]"
1 96 ALA 3.848 0.150 18 0 "[ . 1 . 2]"
1 97 TYR 0.046 0.046 19 0 "[ . 1 . 2]"
1 98 SER 0.343 0.113 17 0 "[ . 1 . 2]"
1 99 LYS 0.513 0.097 20 0 "[ . 1 . 2]"
1 100 ALA 1.446 0.122 12 0 "[ . 1 . 2]"
1 101 ALA 2.452 0.328 16 0 "[ . 1 . 2]"
1 102 PHE 0.538 0.106 10 0 "[ . 1 . 2]"
1 103 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ARG 0.110 0.068 1 0 "[ . 1 . 2]"
1 105 GLU 2.312 0.328 16 0 "[ . 1 . 2]"
1 106 SER 0.538 0.106 10 0 "[ . 1 . 2]"
1 107 ASP 0.217 0.087 4 0 "[ . 1 . 2]"
1 108 VAL 1.429 0.122 12 0 "[ . 1 . 2]"
1 109 PRO 0.118 0.051 10 0 "[ . 1 . 2]"
1 110 LEU 2.357 0.150 18 0 "[ . 1 . 2]"
1 111 LYS 0.699 0.109 11 0 "[ . 1 . 2]"
1 112 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLU 0.589 0.106 7 0 "[ . 1 . 2]"
1 114 GLU 0.166 0.109 11 0 "[ . 1 . 2]"
1 115 PHE 1.458 0.189 14 0 "[ . 1 . 2]"
1 116 GLU 0.337 0.190 13 0 "[ . 1 . 2]"
1 117 VAL 1.633 0.189 10 0 "[ . 1 . 2]"
1 118 THR 0.610 0.178 17 0 "[ . 1 . 2]"
1 119 LYS 0.173 0.062 20 0 "[ . 1 . 2]"
1 120 THR 0.476 0.124 20 0 "[ . 1 . 2]"
1 121 ALA 0.520 0.090 20 0 "[ . 1 . 2]"
1 122 VAL 4.368 0.365 20 0 "[ . 1 . 2]"
1 123 ALA 0.670 0.365 20 0 "[ . 1 . 2]"
1 124 HIS 8.039 0.329 9 0 "[ . 1 . 2]"
1 125 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 PRO 0.346 0.034 16 0 "[ . 1 . 2]"
1 127 GLY 0.346 0.034 16 0 "[ . 1 . 2]"
1 128 ALA 1.248 0.122 13 0 "[ . 1 . 2]"
1 129 PHE 0.009 0.009 18 0 "[ . 1 . 2]"
1 130 LYS 0.397 0.220 17 0 "[ . 1 . 2]"
1 131 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 GLU 0.397 0.220 17 0 "[ . 1 . 2]"
1 133 LEU 0.439 0.098 16 0 "[ . 1 . 2]"
1 134 SER 0.091 0.035 9 0 "[ . 1 . 2]"
1 135 LYS 0.461 0.234 17 0 "[ . 1 . 2]"
1 136 LEU 2.656 0.347 3 0 "[ . 1 . 2]"
1 137 VAL 2.246 0.347 3 0 "[ . 1 . 2]"
1 138 ILE 2.286 0.276 2 0 "[ . 1 . 2]"
1 139 VAL 3.905 0.151 17 0 "[ . 1 . 2]"
1 140 ALA 4.310 0.259 2 0 "[ . 1 . 2]"
1 141 LYS 0.369 0.116 12 0 "[ . 1 . 2]"
1 142 ALA 0.649 0.135 15 0 "[ . 1 . 2]"
1 143 SER 0.803 0.134 11 0 "[ . 1 . 2]"
1 144 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 LEU 0.060 0.060 13 0 "[ . 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 1 GLY QA 1 2 SER HA 5.000 . 5.000 4.103 3.979 4.423 . 0 0 "[ . 1 . 2]" 2
2 1 2 SER QB 1 3 LYS H 5.000 . 5.000 3.182 2.056 4.037 . 0 0 "[ . 1 . 2]" 2
3 1 2 SER HA 1 3 LYS H 4.910 . 4.910 2.819 2.198 3.585 . 0 0 "[ . 1 . 2]" 2
4 1 3 LYS HA 1 4 GLY H 4.560 . 4.560 2.725 2.143 3.582 . 0 0 "[ . 1 . 2]" 2
5 1 3 LYS QG 1 4 GLY H 5.000 . 5.000 3.681 2.363 4.678 . 0 0 "[ . 1 . 2]" 2
6 1 4 GLY QA 1 5 THR H 4.330 . 4.330 2.260 2.113 2.683 . 0 0 "[ . 1 . 2]" 2
7 1 4 GLY H 1 5 THR H 4.730 . 4.730 4.203 2.046 4.633 . 0 0 "[ . 1 . 2]" 2
8 1 4 GLY QA 1 5 THR HA 4.960 . 4.960 4.020 3.941 4.433 . 0 0 "[ . 1 . 2]" 2
9 1 5 THR H 1 5 THR MG . . 4.750 2.961 2.214 3.909 . 0 0 "[ . 1 . 2]" 2
10 1 5 THR H 1 6 VAL H 4.760 . 4.760 4.357 3.590 4.631 . 0 0 "[ . 1 . 2]" 2
11 1 5 THR HA 1 6 VAL H 3.760 . 3.760 2.277 2.137 2.548 . 0 0 "[ . 1 . 2]" 2
12 1 5 THR HB 1 6 VAL H 4.370 . 4.370 3.326 2.426 4.364 . 0 0 "[ . 1 . 2]" 2
13 1 5 THR HA 1 6 VAL MG2 5.000 . 5.000 3.588 3.321 3.988 . 0 0 "[ . 1 . 2]" 2
14 1 5 THR MG 1 6 VAL H 5.000 . 5.000 3.458 2.453 4.177 . 0 0 "[ . 1 . 2]" 2
15 1 6 VAL H 1 6 VAL MG1 4.780 . 4.780 3.306 2.226 3.903 . 0 0 "[ . 1 . 2]" 2
16 1 6 VAL H 1 6 VAL QG 4.070 . 4.070 2.355 1.822 2.777 . 0 0 "[ . 1 . 2]" 2
17 1 6 VAL H 1 6 VAL MG2 4.200 . 4.200 2.415 1.933 2.843 . 0 0 "[ . 1 . 2]" 2
18 1 6 VAL H 1 6 VAL HB . . 4.260 3.294 2.542 3.905 . 0 0 "[ . 1 . 2]" 2
19 1 6 VAL HB 1 7 SER H 4.910 . 4.910 3.413 2.415 4.279 . 0 0 "[ . 1 . 2]" 2
20 1 6 VAL QG 1 7 SER HA 6.050 . 6.050 3.758 3.329 4.301 . 0 0 "[ . 1 . 2]" 2
21 1 6 VAL HA 1 7 SER H 3.960 . 3.960 2.379 2.127 3.492 . 0 0 "[ . 1 . 2]" 2
22 1 6 VAL H 1 7 SER H 5.000 . 5.000 4.228 2.543 4.482 . 0 0 "[ . 1 . 2]" 2
23 1 6 VAL QG 1 7 SER H 4.750 . 4.750 2.870 2.105 3.294 . 0 0 "[ . 1 . 2]" 2
24 1 7 SER H 1 8 GLU HA 5.000 . 5.000 4.875 4.243 5.314 0.314 9 0 "[ . 1 . 2]" 2
25 1 7 SER QB 1 8 GLU H 4.690 . 4.690 3.293 2.293 4.071 . 0 0 "[ . 1 . 2]" 2
26 1 7 SER HA 1 8 GLU H 3.820 . 3.820 2.459 2.125 3.506 . 0 0 "[ . 1 . 2]" 2
27 1 8 GLU H 1 8 GLU QG . . 4.600 2.692 2.087 4.215 . 0 0 "[ . 1 . 2]" 2
28 1 8 GLU H 1 9 PRO QD 5.000 . 5.000 4.261 2.989 4.524 . 0 0 "[ . 1 . 2]" 2
29 1 9 PRO HA 1 10 THR H 3.580 . 3.580 2.282 2.205 2.360 . 0 0 "[ . 1 . 2]" 2
30 1 9 PRO QB 1 10 THR H . . 4.160 2.918 2.719 3.184 . 0 0 "[ . 1 . 2]" 2
31 1 9 PRO QG 1 10 THR H 5.150 . 5.150 4.440 4.234 4.611 . 0 0 "[ . 1 . 2]" 2
32 1 9 PRO HA 1 10 THR MG 6.410 . 6.410 4.925 3.582 5.497 . 0 0 "[ . 1 . 2]" 2
33 1 9 PRO QD 1 10 THR H 5.600 . 5.600 5.012 4.986 5.027 . 0 0 "[ . 1 . 2]" 2
34 1 9 PRO QB 1 55 LEU H 5.000 . 5.000 4.117 3.700 4.385 . 0 0 "[ . 1 . 2]" 2
35 1 9 PRO HA 1 55 LEU H 5.000 . 5.000 4.793 4.445 5.059 0.059 18 0 "[ . 1 . 2]" 2
36 1 10 THR HA 1 10 THR MG 3.270 . 3.270 2.635 2.322 3.225 . 0 0 "[ . 1 . 2]" 2
37 1 10 THR H 1 10 THR HB 3.850 . 3.850 2.736 2.531 3.185 . 0 0 "[ . 1 . 2]" 2
38 1 10 THR H 1 10 THR MG 4.450 . 4.450 3.307 1.977 3.878 . 0 0 "[ . 1 . 2]" 2
39 1 10 THR H 1 11 THR HA 5.000 . 5.000 4.987 4.860 5.092 0.092 12 0 "[ . 1 . 2]" 2
40 1 10 THR HB 1 11 THR H 4.490 . 4.490 4.180 4.004 4.265 . 0 0 "[ . 1 . 2]" 2
41 1 10 THR HA 1 11 THR H 3.150 . 3.150 2.180 2.140 2.296 . 0 0 "[ . 1 . 2]" 2
42 1 10 THR MG 1 11 THR H 5.000 . 5.000 3.052 2.641 3.973 . 0 0 "[ . 1 . 2]" 2
43 1 10 THR MG 1 12 VAL MG2 6.500 . 6.500 3.069 2.178 4.189 . 0 0 "[ . 1 . 2]" 2
44 1 10 THR MG 1 12 VAL H 5.580 . 5.580 4.443 4.162 4.860 . 0 0 "[ . 1 . 2]" 2
45 1 10 THR H 1 29 VAL MG2 6.200 . 6.200 4.763 3.698 6.176 . 0 0 "[ . 1 . 2]" 2
46 1 10 THR H 1 54 SER HA 5.000 . 5.000 4.591 4.342 4.905 . 0 0 "[ . 1 . 2]" 2
47 1 10 THR H 1 55 LEU H 4.230 . 4.230 3.031 2.817 3.264 . 0 0 "[ . 1 . 2]" 2
48 1 10 THR HB 1 55 LEU H 4.900 . 4.900 4.023 3.266 5.193 0.293 15 0 "[ . 1 . 2]" 2
49 1 10 THR MG 1 55 LEU H 5.500 . 5.500 3.840 2.324 4.632 . 0 0 "[ . 1 . 2]" 2
50 1 10 THR H 1 56 GLY QA 5.000 . 5.000 3.751 3.568 3.912 . 0 0 "[ . 1 . 2]" 2
51 1 11 THR HA 1 11 THR MG 3.650 . 3.650 2.397 2.311 3.200 . 0 0 "[ . 1 . 2]" 2
52 1 11 THR H 1 11 THR MG 4.500 . 4.500 3.786 2.363 3.893 . 0 0 "[ . 1 . 2]" 2
53 1 11 THR H 1 12 VAL MG2 5.210 . 5.210 4.342 3.754 5.235 0.025 20 0 "[ . 1 . 2]" 2
54 1 11 THR HB 1 12 VAL H 4.550 . 4.550 4.198 3.998 4.240 . 0 0 "[ . 1 . 2]" 2
55 1 11 THR H 1 12 VAL H 5.000 . 5.000 4.382 4.315 4.429 . 0 0 "[ . 1 . 2]" 2
56 1 11 THR MG 1 12 VAL HA 5.000 . 5.000 3.691 3.538 3.963 . 0 0 "[ . 1 . 2]" 2
57 1 11 THR HA 1 12 VAL H 3.310 . 3.310 2.134 2.099 2.175 . 0 0 "[ . 1 . 2]" 2
58 1 11 THR HA 1 12 VAL MG1 6.570 . 6.570 4.934 3.645 5.484 . 0 0 "[ . 1 . 2]" 2
59 1 11 THR MG 1 12 VAL H 3.750 . 3.750 2.739 2.582 3.809 0.059 15 0 "[ . 1 . 2]" 2
60 1 11 THR MG 1 52 GLN QB 4.000 . 4.000 2.814 2.164 3.915 . 0 0 "[ . 1 . 2]" 2
61 1 11 THR MG 1 52 GLN QE 5.400 . 5.400 2.412 1.805 3.045 . 0 0 "[ . 1 . 2]" 2
62 1 11 THR MG 1 52 GLN QG 5.600 . 5.600 3.662 3.201 4.580 . 0 0 "[ . 1 . 2]" 2
63 1 11 THR HA 1 53 MET H 4.840 . 4.840 4.433 4.223 4.884 0.044 6 0 "[ . 1 . 2]" 2
64 1 11 THR H 1 54 SER HA 5.000 . 5.000 4.680 4.478 4.916 . 0 0 "[ . 1 . 2]" 2
65 1 11 THR MG 1 54 SER H 6.000 . 6.000 4.457 3.988 5.829 . 0 0 "[ . 1 . 2]" 2
66 1 11 THR HA 1 55 LEU H 4.270 . 4.270 3.693 3.442 4.011 . 0 0 "[ . 1 . 2]" 2
67 1 11 THR H 1 11 THR HB 3.690 . 3.690 2.656 2.557 3.293 . 0 0 "[ . 1 . 2]" 2
68 1 11 THR MG 1 69 TRP HZ2 5.000 . 5.000 3.105 2.291 4.224 . 0 0 "[ . 1 . 2]" 2
69 1 11 THR MG 1 69 TRP HH2 5.000 . 5.000 2.425 1.859 3.271 . 0 0 "[ . 1 . 2]" 2
70 1 11 THR MG 1 69 TRP HZ3 5.000 . 5.000 3.971 3.385 5.108 0.108 15 0 "[ . 1 . 2]" 2
71 1 12 VAL MG1 1 13 ALA H 5.000 . 5.000 3.009 2.661 3.754 . 0 0 "[ . 1 . 2]" 2
72 1 12 VAL H 1 13 ALA HA 5.000 . 5.000 4.804 4.718 4.866 . 0 0 "[ . 1 . 2]" 2
73 1 12 VAL HA 1 13 ALA H 3.180 . 3.180 2.227 2.157 2.377 . 0 0 "[ . 1 . 2]" 2
74 1 12 VAL H 1 13 ALA H 5.000 . 5.000 4.357 4.250 4.464 . 0 0 "[ . 1 . 2]" 2
75 1 12 VAL MG1 1 27 HIS QB . . 5.000 3.896 3.504 4.660 . 0 0 "[ . 1 . 2]" 2
76 1 12 VAL MG2 1 27 HIS HD2 4.630 . 4.630 3.129 2.327 4.642 0.012 2 0 "[ . 1 . 2]" 2
77 1 12 VAL MG2 1 27 HIS HE1 5.000 . 5.000 4.165 2.587 5.078 0.078 12 0 "[ . 1 . 2]" 2
78 1 12 VAL MG2 1 27 HIS QB 5.000 . 5.000 3.394 2.762 3.997 . 0 0 "[ . 1 . 2]" 2
79 1 12 VAL MG1 1 27 HIS HD2 5.000 . 5.000 3.664 2.313 5.080 0.080 14 0 "[ . 1 . 2]" 2
80 1 12 VAL H 1 12 VAL MG1 4.650 . 4.650 3.608 2.923 3.901 . 0 0 "[ . 1 . 2]" 2
81 1 12 VAL HA 1 12 VAL MG1 3.660 . 3.660 2.368 2.283 2.428 . 0 0 "[ . 1 . 2]" 2
82 1 12 VAL H 1 12 VAL MG2 . . 3.670 2.622 2.062 2.884 . 0 0 "[ . 1 . 2]" 2
83 1 12 VAL H 1 52 GLN HA 5.000 . 5.000 4.893 4.603 5.057 0.057 18 0 "[ . 1 . 2]" 2
84 1 12 VAL H 1 12 VAL HB 4.320 . 4.320 3.039 2.661 3.857 . 0 0 "[ . 1 . 2]" 2
85 1 12 VAL MG1 1 53 MET H 6.000 . 6.000 5.094 4.748 5.436 . 0 0 "[ . 1 . 2]" 2
86 1 12 VAL H 1 53 MET O 2.200 . 2.200 1.878 1.818 2.004 . 0 0 "[ . 1 . 2]" 2
87 1 12 VAL H 1 53 MET QB 5.000 . 5.000 3.638 3.076 4.571 . 0 0 "[ . 1 . 2]" 2
88 1 12 VAL H 1 54 SER HA 4.180 . 4.180 3.406 3.052 3.711 . 0 0 "[ . 1 . 2]" 2
89 1 12 VAL H 1 54 SER QB 5.500 . 5.500 4.512 3.438 5.206 . 0 0 "[ . 1 . 2]" 2
90 1 12 VAL HA 1 13 ALA MB 5.000 . 5.000 3.941 3.821 4.007 . 0 0 "[ . 1 . 2]" 2
91 1 12 VAL H 1 55 LEU H 5.000 . 5.000 4.971 4.817 5.080 0.080 15 0 "[ . 1 . 2]" 2
92 1 12 VAL HB 1 13 ALA H 4.360 . 4.360 3.720 2.509 4.272 . 0 0 "[ . 1 . 2]" 2
93 1 12 VAL MG2 1 13 ALA H 5.000 . 5.000 3.902 3.546 4.099 . 0 0 "[ . 1 . 2]" 2
94 1 13 ALA MB 1 50 GLN QE 5.000 . 5.000 3.422 1.874 4.236 . 0 0 "[ . 1 . 2]" 2
95 1 13 ALA MB 1 50 GLN QG 5.000 . 5.000 3.026 2.429 3.806 . 0 0 "[ . 1 . 2]" 2
96 1 13 ALA HA 1 51 TRP H 5.000 . 5.000 4.786 4.335 5.015 0.015 4 0 "[ . 1 . 2]" 2
97 1 13 ALA MB 1 52 GLN QE 5.800 . 5.800 3.956 2.872 4.775 . 0 0 "[ . 1 . 2]" 2
98 1 13 ALA H 1 52 GLN HA 5.000 . 5.000 4.924 4.681 5.063 0.063 14 0 "[ . 1 . 2]" 2
99 1 13 ALA H 1 13 ALA MB . . 3.130 2.357 2.191 2.555 . 0 0 "[ . 1 . 2]" 2
100 1 13 ALA HA 1 14 PHE H 3.310 . 3.310 2.254 2.208 2.281 . 0 0 "[ . 1 . 2]" 2
101 1 13 ALA MB 1 14 PHE H 3.660 . 3.660 2.729 2.649 2.831 . 0 0 "[ . 1 . 2]" 2
102 1 13 ALA HA 1 53 MET H 3.710 . 3.710 3.334 3.128 3.486 . 0 0 "[ . 1 . 2]" 2
103 1 14 PHE H 1 50 GLN HA 4.790 . 4.790 4.473 4.037 4.829 0.039 17 0 "[ . 1 . 2]" 2
104 1 14 PHE QE 1 51 TRP QB 4.170 . 4.170 2.695 2.506 2.943 . 0 0 "[ . 1 . 2]" 2
105 1 14 PHE H 1 51 TRP O 2.200 . 2.200 2.070 1.901 2.227 0.027 8 0 "[ . 1 . 2]" 2
106 1 14 PHE H 1 51 TRP H 4.160 . 4.160 3.109 2.702 3.290 . 0 0 "[ . 1 . 2]" 2
107 1 14 PHE QD 1 51 TRP H 5.000 . 5.000 4.349 4.060 4.528 . 0 0 "[ . 1 . 2]" 2
108 1 14 PHE H 1 51 TRP HA 5.000 . 5.000 4.952 4.729 5.100 0.100 4 0 "[ . 1 . 2]" 2
109 1 14 PHE QD 1 52 GLN HA 5.500 . 5.500 4.314 3.927 4.848 . 0 0 "[ . 1 . 2]" 2
110 1 14 PHE H 1 15 ASP H 4.400 . 4.400 4.416 4.397 4.441 0.041 11 0 "[ . 1 . 2]" 2
111 1 14 PHE QB 1 15 ASP H 3.480 . 3.480 2.508 2.449 2.564 . 0 0 "[ . 1 . 2]" 2
112 1 14 PHE HA 1 15 ASP H 2.940 . 2.940 2.378 2.348 2.437 . 0 0 "[ . 1 . 2]" 2
113 1 14 PHE H 1 52 GLN QG 5.800 . 5.800 4.643 4.245 5.522 . 0 0 "[ . 1 . 2]" 2
114 1 14 PHE QE 1 52 GLN H 5.500 . 5.500 4.787 4.499 5.321 . 0 0 "[ . 1 . 2]" 2
115 1 14 PHE QE 1 52 GLN HA 6.500 . 6.500 4.280 3.789 4.793 . 0 0 "[ . 1 . 2]" 2
116 1 14 PHE QD 1 15 ASP H 5.000 . 5.000 3.359 3.290 3.435 . 0 0 "[ . 1 . 2]" 2
117 1 14 PHE QD 1 16 VAL MG2 5.500 . 5.500 3.031 2.760 3.435 . 0 0 "[ . 1 . 2]" 2
118 1 14 PHE HZ 1 16 VAL MG2 5.000 . 5.000 3.796 3.371 4.149 . 0 0 "[ . 1 . 2]" 2
119 1 14 PHE QE 1 53 MET HA 6.800 . 6.800 4.148 3.711 5.071 . 0 0 "[ . 1 . 2]" 2
120 1 14 PHE QE 1 16 VAL MG2 5.000 . 5.000 2.115 1.842 2.519 . 0 0 "[ . 1 . 2]" 2
121 1 14 PHE QE 1 53 MET QB . . 5.000 1.977 1.851 3.003 . 0 0 "[ . 1 . 2]" 2
122 1 14 PHE H 1 53 MET H 5.000 . 5.000 4.969 4.676 5.155 0.155 20 0 "[ . 1 . 2]" 2
123 1 14 PHE QD 1 16 VAL HA 6.000 . 6.000 3.777 3.513 3.983 . 0 0 "[ . 1 . 2]" 2
124 1 14 PHE QE 1 16 VAL MG1 7.000 . 7.000 4.145 3.851 4.462 . 0 0 "[ . 1 . 2]" 2
125 1 14 PHE QE 1 25 PHE QB 5.290 . 5.290 4.282 3.540 4.913 . 0 0 "[ . 1 . 2]" 2
126 1 14 PHE QD 1 25 PHE QB 5.450 . 5.450 3.982 3.500 4.419 . 0 0 "[ . 1 . 2]" 2
127 1 14 PHE H 1 14 PHE QD 4.000 . 4.000 2.898 2.703 2.983 . 0 0 "[ . 1 . 2]" 2
128 1 14 PHE QE 1 39 PHE QD 7.360 . 7.360 4.473 3.630 5.538 . 0 0 "[ . 1 . 2]" 2
129 1 14 PHE QE 1 39 PHE QB 7.000 . 7.000 5.087 4.538 5.906 . 0 0 "[ . 1 . 2]" 2
130 1 14 PHE HZ 1 39 PHE QD 6.200 . 6.200 4.447 3.675 5.649 . 0 0 "[ . 1 . 2]" 2
131 1 14 PHE HZ 1 68 ILE MG 5.000 . 5.000 2.381 2.036 2.678 . 0 0 "[ . 1 . 2]" 2
132 1 14 PHE QE 1 68 ILE MG 5.000 . 5.000 2.782 2.072 3.261 . 0 0 "[ . 1 . 2]" 2
133 1 14 PHE O 1 51 TRP H 2.200 . 2.200 2.013 1.888 2.159 . 0 0 "[ . 1 . 2]" 2
134 1 15 ASP H 1 15 ASP QB . . 3.550 2.478 2.343 3.012 . 0 0 "[ . 1 . 2]" 2
135 1 15 ASP HA 1 51 TRP H 4.530 . 4.530 3.520 3.118 3.896 . 0 0 "[ . 1 . 2]" 2
136 1 15 ASP QB 1 16 VAL H . . 4.410 3.048 2.882 3.275 . 0 0 "[ . 1 . 2]" 2
137 1 15 ASP H 1 16 VAL H 5.000 . 5.000 4.498 4.356 4.596 . 0 0 "[ . 1 . 2]" 2
138 1 15 ASP HA 1 16 VAL H 3.370 . 3.370 2.156 2.122 2.207 . 0 0 "[ . 1 . 2]" 2
139 1 15 ASP QB 1 48 ASN QD 5.000 . 5.000 3.402 2.200 4.017 . 0 0 "[ . 1 . 2]" 2
140 1 15 ASP HA 1 49 GLU H 5.000 . 5.000 4.304 3.996 4.666 . 0 0 "[ . 1 . 2]" 2
141 1 15 ASP H 1 17 ARG QG 5.280 . 5.280 5.034 4.534 5.259 . 0 0 "[ . 1 . 2]" 2
142 1 15 ASP HA 1 50 GLN H 5.000 . 5.000 5.022 4.555 5.166 0.166 15 0 "[ . 1 . 2]" 2
143 1 16 VAL MG2 1 51 TRP HA 5.800 . 5.800 4.485 4.245 4.636 . 0 0 "[ . 1 . 2]" 2
144 1 16 VAL HB 1 49 GLU H 4.390 . 4.390 2.877 2.224 3.364 . 0 0 "[ . 1 . 2]" 2
145 1 16 VAL MG1 1 51 TRP HE1 5.000 . 5.000 3.729 3.524 4.040 . 0 0 "[ . 1 . 2]" 2
146 1 16 VAL HA 1 49 GLU H 5.000 . 5.000 4.735 4.438 5.059 0.059 19 0 "[ . 1 . 2]" 2
147 1 16 VAL H 1 49 GLU QB 5.000 . 5.000 3.763 3.352 4.357 . 0 0 "[ . 1 . 2]" 2
148 1 16 VAL H 1 49 GLU H 4.250 . 4.250 2.799 2.507 3.137 . 0 0 "[ . 1 . 2]" 2
149 1 16 VAL H 1 16 VAL HB 3.800 . 3.800 2.513 2.419 2.574 . 0 0 "[ . 1 . 2]" 2
150 1 16 VAL HA 1 17 ARG H 3.450 . 3.450 2.127 2.098 2.177 . 0 0 "[ . 1 . 2]" 2
151 1 16 VAL H 1 50 GLN HA 4.670 . 4.670 3.727 3.325 4.090 . 0 0 "[ . 1 . 2]" 2
152 1 16 VAL H 1 17 ARG H 5.000 . 5.000 4.309 4.240 4.461 . 0 0 "[ . 1 . 2]" 2
153 1 16 VAL MG2 1 49 GLU QB 5.000 . 5.000 3.395 2.712 4.347 . 0 0 "[ . 1 . 2]" 2
154 1 16 VAL MG2 1 51 TRP HE1 5.000 . 5.000 2.954 2.584 3.391 . 0 0 "[ . 1 . 2]" 2
155 1 16 VAL MG1 1 51 TRP HD1 5.800 . 5.800 4.447 4.069 4.782 . 0 0 "[ . 1 . 2]" 2
156 1 16 VAL MG2 1 51 TRP HD1 5.000 . 5.000 2.396 2.221 2.688 . 0 0 "[ . 1 . 2]" 2
157 1 16 VAL MG1 1 51 TRP HZ2 5.400 . 5.400 4.432 3.864 4.722 . 0 0 "[ . 1 . 2]" 2
158 1 16 VAL MG2 1 49 GLU H 5.000 . 5.000 4.181 3.647 4.617 . 0 0 "[ . 1 . 2]" 2
159 1 16 VAL MG1 1 49 GLU H 5.000 . 5.000 4.017 3.649 4.300 . 0 0 "[ . 1 . 2]" 2
160 1 16 VAL HB 1 77 LEU MD2 7.500 . 7.500 5.057 3.562 6.186 . 0 0 "[ . 1 . 2]" 2
161 1 16 VAL MG1 1 77 LEU MD2 6.500 . 6.500 3.817 2.442 5.121 . 0 0 "[ . 1 . 2]" 2
162 1 16 VAL MG1 1 79 PHE QE 5.800 . 5.800 3.454 2.857 3.863 . 0 0 "[ . 1 . 2]" 2
163 1 16 VAL MG1 1 79 PHE HZ 5.400 . 5.400 3.920 2.752 4.548 . 0 0 "[ . 1 . 2]" 2
164 1 16 VAL MG2 1 39 PHE QD 8.500 . 8.500 5.658 5.019 7.336 . 0 0 "[ . 1 . 2]" 2
165 1 17 ARG H 1 17 ARG QB . . 3.710 2.473 2.404 2.592 . 0 0 "[ . 1 . 2]" 2
166 1 17 ARG H 1 17 ARG QG . . 3.790 2.629 2.403 3.140 . 0 0 "[ . 1 . 2]" 2
167 1 17 ARG H 1 17 ARG QD . . 4.760 3.870 1.999 4.423 . 0 0 "[ . 1 . 2]" 2
168 1 17 ARG QB 1 23 HIS HD2 5.000 . 5.000 3.404 2.747 3.720 . 0 0 "[ . 1 . 2]" 2
169 1 17 ARG QB 1 48 ASN QD 5.000 . 5.000 3.068 2.485 3.587 . 0 0 "[ . 1 . 2]" 2
170 1 17 ARG QD 1 48 ASN QD 5.000 . 5.000 3.250 1.850 3.743 . 0 0 "[ . 1 . 2]" 2
171 1 18 PRO HA 1 43 SER H 4.720 . 4.720 3.785 3.131 4.372 . 0 0 "[ . 1 . 2]" 2
172 1 18 PRO QB 1 44 GLN HA 5.000 . 5.000 3.296 2.186 3.554 . 0 0 "[ . 1 . 2]" 2
173 1 18 PRO QG 1 45 GLY H 5.000 . 5.000 3.878 3.127 4.243 . 0 0 "[ . 1 . 2]" 2
174 1 18 PRO QB 1 45 GLY H 4.210 . 4.210 2.293 1.919 2.579 . 0 0 "[ . 1 . 2]" 2
175 1 18 PRO QG 1 46 GLY H 5.000 . 5.000 3.483 3.104 4.257 . 0 0 "[ . 1 . 2]" 2
176 1 18 PRO QG 1 47 THR H . . 3.430 2.270 1.838 2.958 . 0 0 "[ . 1 . 2]" 2
177 1 18 PRO QD 1 47 THR H 5.000 . 5.000 3.793 3.308 4.371 . 0 0 "[ . 1 . 2]" 2
178 1 18 PRO QB 1 47 THR H 5.000 . 5.000 3.805 3.405 4.532 . 0 0 "[ . 1 . 2]" 2
179 1 18 PRO QD 1 48 ASN H 4.870 . 4.870 4.044 3.572 4.404 . 0 0 "[ . 1 . 2]" 2
180 1 18 PRO QB 1 19 GLY H 3.940 . 3.940 2.443 2.335 2.552 . 0 0 "[ . 1 . 2]" 2
181 1 18 PRO HA 1 19 GLY H 3.650 . 3.650 2.432 2.386 2.466 . 0 0 "[ . 1 . 2]" 2
182 1 18 PRO QG 1 19 GLY H 5.000 . 5.000 4.012 3.903 4.105 . 0 0 "[ . 1 . 2]" 2
183 1 18 PRO QB 1 20 GLY H 4.980 . 4.980 4.012 3.831 4.215 . 0 0 "[ . 1 . 2]" 2
184 1 18 PRO HA 1 20 GLY H 4.350 . 4.350 3.572 3.342 3.762 . 0 0 "[ . 1 . 2]" 2
185 1 18 PRO QD 1 49 GLU H 5.000 . 5.000 3.806 3.393 4.117 . 0 0 "[ . 1 . 2]" 2
186 1 19 GLY H 1 20 GLY QA 5.000 . 5.000 3.781 3.736 3.872 . 0 0 "[ . 1 . 2]" 2
187 1 19 GLY H 1 45 GLY H 4.350 . 4.350 2.636 2.290 3.309 . 0 0 "[ . 1 . 2]" 2
188 1 19 GLY H 1 20 GLY H 3.600 . 3.600 1.805 1.750 1.976 0.050 12 0 "[ . 1 . 2]" 2
189 1 19 GLY QA 1 20 GLY H . . 4.280 2.915 2.871 2.946 . 0 0 "[ . 1 . 2]" 2
190 1 19 GLY H 1 21 VAL H 4.880 . 4.880 3.658 3.371 4.006 . 0 0 "[ . 1 . 2]" 2
191 1 19 GLY H 1 43 SER QB 5.000 . 5.000 4.201 3.957 4.472 . 0 0 "[ . 1 . 2]" 2
192 1 19 GLY H 1 43 SER H 5.000 . 5.000 4.510 4.014 4.955 . 0 0 "[ . 1 . 2]" 2
193 1 19 GLY H 1 44 GLN HA 5.000 . 5.000 2.359 1.941 2.570 . 0 0 "[ . 1 . 2]" 2
194 1 19 GLY H 1 44 GLN QE 5.000 . 5.000 3.685 2.795 4.252 . 0 0 "[ . 1 . 2]" 2
195 1 19 GLY H 1 44 GLN H 5.000 . 5.000 4.577 4.286 4.783 . 0 0 "[ . 1 . 2]" 2
196 1 20 GLY H 1 44 GLN QE 5.000 . 5.000 3.236 2.906 3.440 . 0 0 "[ . 1 . 2]" 2
197 1 20 GLY H 1 44 GLN QG 5.000 . 5.000 4.536 3.764 4.720 . 0 0 "[ . 1 . 2]" 2
198 1 20 GLY H 1 42 ALA MB 6.000 . 6.000 4.935 4.404 5.368 . 0 0 "[ . 1 . 2]" 2
199 1 20 GLY H 1 21 VAL HB 5.000 . 5.000 4.877 4.822 4.925 . 0 0 "[ . 1 . 2]" 2
200 1 20 GLY H 1 21 VAL MG2 5.230 . 5.230 4.104 4.027 4.190 . 0 0 "[ . 1 . 2]" 2
201 1 20 GLY H 1 21 VAL H 3.770 . 3.770 2.560 2.530 2.582 . 0 0 "[ . 1 . 2]" 2
202 1 20 GLY QA 1 43 SER H 5.670 . 5.670 4.048 3.855 4.129 . 0 0 "[ . 1 . 2]" 2
203 1 20 GLY H 1 43 SER H 5.000 . 5.000 3.954 3.714 4.123 . 0 0 "[ . 1 . 2]" 2
204 1 20 GLY QA 1 21 VAL H 4.240 . 4.240 2.848 2.834 2.956 . 0 0 "[ . 1 . 2]" 2
205 1 21 VAL MG2 1 23 HIS HE1 5.200 . 5.200 4.308 4.129 4.549 . 0 0 "[ . 1 . 2]" 2
206 1 21 VAL H 1 21 VAL MG2 . . 3.400 2.628 2.274 2.755 . 0 0 "[ . 1 . 2]" 2
207 1 21 VAL H 1 21 VAL MG1 4.640 . 4.640 3.849 3.786 3.876 . 0 0 "[ . 1 . 2]" 2
208 1 21 VAL H 1 21 VAL HB . . 3.360 2.590 2.490 2.644 . 0 0 "[ . 1 . 2]" 2
209 1 21 VAL HA 1 21 VAL MG1 3.390 . 3.390 2.406 2.363 2.434 . 0 0 "[ . 1 . 2]" 2
210 1 21 VAL HA 1 21 VAL MG2 3.240 . 3.240 2.388 2.350 2.432 . 0 0 "[ . 1 . 2]" 2
211 1 21 VAL HA 1 22 VAL H 3.120 . 3.120 2.152 2.138 2.165 . 0 0 "[ . 1 . 2]" 2
212 1 21 VAL MG1 1 22 VAL H 3.760 . 3.760 2.728 2.667 2.772 . 0 0 "[ . 1 . 2]" 2
213 1 21 VAL H 1 42 ALA MB 5.600 . 5.600 4.144 3.556 4.540 . 0 0 "[ . 1 . 2]" 2
214 1 21 VAL HA 1 22 VAL MG1 6.570 . 6.570 5.484 5.473 5.498 . 0 0 "[ . 1 . 2]" 2
215 1 21 VAL H 1 22 VAL H 4.480 . 4.480 4.397 4.369 4.496 0.016 14 0 "[ . 1 . 2]" 2
216 1 21 VAL MG2 1 22 VAL H 4.870 . 4.870 4.036 3.995 4.059 . 0 0 "[ . 1 . 2]" 2
217 1 21 VAL H 1 43 SER H 4.940 . 4.940 3.899 3.725 4.389 . 0 0 "[ . 1 . 2]" 2
218 1 21 VAL MG1 1 23 HIS HE1 5.000 . 5.000 2.534 2.203 2.898 . 0 0 "[ . 1 . 2]" 2
219 1 22 VAL MG1 1 40 THR MG 3.410 . 3.410 2.169 1.937 3.481 0.071 16 0 "[ . 1 . 2]" 2
220 1 22 VAL MG1 1 41 TYR H 5.000 . 5.000 3.487 3.138 3.831 . 0 0 "[ . 1 . 2]" 2
221 1 22 VAL HA 1 41 TYR H 4.730 . 4.730 4.538 4.255 4.772 0.042 10 0 "[ . 1 . 2]" 2
222 1 22 VAL MG2 1 42 ALA MB 4.580 . 4.580 1.953 1.880 2.146 . 0 0 "[ . 1 . 2]" 2
223 1 22 VAL MG2 1 42 ALA H 6.000 . 6.000 4.444 3.937 4.823 . 0 0 "[ . 1 . 2]" 2
224 1 22 VAL HA 1 42 ALA MB 5.000 . 5.000 2.466 2.056 2.793 . 0 0 "[ . 1 . 2]" 2
225 1 22 VAL HA 1 42 ALA H 5.000 . 5.000 4.606 4.327 4.865 . 0 0 "[ . 1 . 2]" 2
226 1 22 VAL H 1 42 ALA MB 5.680 . 5.680 3.631 3.260 3.871 . 0 0 "[ . 1 . 2]" 2
227 1 22 VAL MG1 1 42 ALA H 6.000 . 6.000 4.486 4.137 4.863 . 0 0 "[ . 1 . 2]" 2
228 1 22 VAL HA 1 23 HIS H 3.210 . 3.210 2.148 2.135 2.161 . 0 0 "[ . 1 . 2]" 2
229 1 22 VAL H 1 23 HIS H 4.530 . 4.530 4.536 4.525 4.546 0.016 11 0 "[ . 1 . 2]" 2
230 1 22 VAL MG2 1 23 HIS H 5.000 . 5.000 4.025 3.970 4.066 . 0 0 "[ . 1 . 2]" 2
231 1 22 VAL HB 1 23 HIS H 5.000 . 5.000 4.224 4.208 4.244 . 0 0 "[ . 1 . 2]" 2
232 1 22 VAL MG1 1 24 SER H 6.300 . 6.300 4.667 4.486 4.823 . 0 0 "[ . 1 . 2]" 2
233 1 22 VAL HA 1 22 VAL MG1 3.530 . 3.530 2.405 2.371 2.449 . 0 0 "[ . 1 . 2]" 2
234 1 22 VAL H 1 22 VAL MG2 3.100 . 3.100 2.176 2.112 2.286 . 0 0 "[ . 1 . 2]" 2
235 1 22 VAL H 1 22 VAL MG1 4.520 . 4.520 3.779 3.774 3.789 . 0 0 "[ . 1 . 2]" 2
236 1 22 VAL H 1 22 VAL HB 3.380 . 3.380 2.494 2.469 2.508 . 0 0 "[ . 1 . 2]" 2
237 1 22 VAL MG1 1 23 HIS H 4.000 . 4.000 2.705 2.667 2.740 . 0 0 "[ . 1 . 2]" 2
238 1 22 VAL HA 1 22 VAL MG2 3.520 . 3.520 2.410 2.320 2.448 . 0 0 "[ . 1 . 2]" 2
239 1 22 VAL MG1 1 23 HIS HA 5.430 . 5.430 3.686 3.596 3.742 . 0 0 "[ . 1 . 2]" 2
240 1 22 VAL H 1 81 GLN QE 6.500 . 6.500 5.411 5.063 5.685 . 0 0 "[ . 1 . 2]" 2
241 1 22 VAL MG1 1 81 GLN QE 5.000 . 5.000 2.530 1.880 2.830 . 0 0 "[ . 1 . 2]" 2
242 1 22 VAL MG2 1 81 GLN QE 5.000 . 5.000 2.195 1.981 2.422 . 0 0 "[ . 1 . 2]" 2
243 1 23 HIS QB 1 25 PHE H 5.500 . 5.500 5.163 4.976 5.269 . 0 0 "[ . 1 . 2]" 2
244 1 23 HIS H 1 42 ALA H 5.000 . 5.000 5.007 4.868 5.090 0.090 1 0 "[ . 1 . 2]" 2
245 1 23 HIS H 1 42 ALA MB 5.380 . 5.380 3.949 3.551 4.278 . 0 0 "[ . 1 . 2]" 2
246 1 23 HIS H 1 23 HIS HD2 4.130 . 4.130 3.769 3.584 3.979 . 0 0 "[ . 1 . 2]" 2
247 1 23 HIS HD2 1 43 SER H 4.940 . 4.940 4.515 4.335 4.818 . 0 0 "[ . 1 . 2]" 2
248 1 23 HIS HD2 1 24 SER H 6.280 . 6.280 6.145 5.992 6.269 . 0 0 "[ . 1 . 2]" 2
249 1 23 HIS H 1 24 SER H 5.000 . 5.000 4.453 4.422 4.475 . 0 0 "[ . 1 . 2]" 2
250 1 23 HIS QB 1 24 SER H . . 4.030 2.706 2.467 2.910 . 0 0 "[ . 1 . 2]" 2
251 1 23 HIS QB 1 41 TYR H 5.170 . 5.170 3.913 3.609 4.079 . 0 0 "[ . 1 . 2]" 2
252 1 23 HIS HA 1 24 SER H 3.540 . 3.540 2.255 2.178 2.333 . 0 0 "[ . 1 . 2]" 2
253 1 23 HIS H 1 41 TYR O 2.200 . 2.200 2.019 1.889 2.177 . 0 0 "[ . 1 . 2]" 2
254 1 23 HIS H 1 41 TYR H 3.990 . 3.990 3.099 2.926 3.284 . 0 0 "[ . 1 . 2]" 2
255 1 23 HIS H 1 42 ALA HA 4.870 . 4.870 3.559 3.326 3.849 . 0 0 "[ . 1 . 2]" 2
256 1 24 SER HA 1 25 PHE H 3.410 . 3.410 2.156 2.114 2.204 . 0 0 "[ . 1 . 2]" 2
257 1 24 SER HA 1 41 TYR H 4.180 . 4.180 3.694 3.301 3.962 . 0 0 "[ . 1 . 2]" 2
258 1 24 SER H 1 25 PHE H 5.000 . 5.000 4.377 4.347 4.431 . 0 0 "[ . 1 . 2]" 2
259 1 24 SER HA 1 39 PHE H 5.000 . 5.000 4.695 4.534 5.006 0.006 10 0 "[ . 1 . 2]" 2
260 1 24 SER QB 1 25 PHE H 4.200 . 4.200 3.061 2.729 3.766 . 0 0 "[ . 1 . 2]" 2
261 1 24 SER HA 1 40 THR H 5.000 . 5.000 4.717 4.603 4.923 . 0 0 "[ . 1 . 2]" 2
262 1 24 SER H 1 40 THR HA 5.000 . 5.000 4.766 4.609 4.953 . 0 0 "[ . 1 . 2]" 2
263 1 24 SER H 1 40 THR MG 6.030 . 6.030 4.174 3.730 4.650 . 0 0 "[ . 1 . 2]" 2
264 1 25 PHE H 1 41 TYR H 5.360 . 5.360 5.146 4.796 5.373 0.013 16 0 "[ . 1 . 2]" 2
265 1 25 PHE H 1 39 PHE H 4.140 . 4.140 3.105 2.943 3.422 . 0 0 "[ . 1 . 2]" 2
266 1 25 PHE QB 1 39 PHE QB 4.000 . 4.000 3.166 2.540 4.254 0.254 19 0 "[ . 1 . 2]" 2
267 1 25 PHE QB 1 26 SER H 5.000 . 5.000 3.573 2.696 3.841 . 0 0 "[ . 1 . 2]" 2
268 1 25 PHE HA 1 26 SER H 3.400 . 3.400 2.202 2.151 2.318 . 0 0 "[ . 1 . 2]" 2
269 1 25 PHE H 1 39 PHE QB 5.000 . 5.000 3.692 3.056 4.951 . 0 0 "[ . 1 . 2]" 2
270 1 25 PHE H 1 39 PHE HA 5.000 . 5.000 4.850 4.710 5.024 0.024 5 0 "[ . 1 . 2]" 2
271 1 25 PHE H 1 39 PHE O 2.200 . 2.200 1.924 1.845 2.175 . 0 0 "[ . 1 . 2]" 2
272 1 25 PHE H 1 26 SER H 5.000 . 5.000 4.299 4.116 4.443 . 0 0 "[ . 1 . 2]" 2
273 1 25 PHE H 1 26 SER HA 5.000 . 5.000 4.878 4.709 5.038 0.038 4 0 "[ . 1 . 2]" 2
274 1 25 PHE H 1 40 THR HA 4.010 . 4.010 3.462 3.011 3.683 . 0 0 "[ . 1 . 2]" 2
275 1 25 PHE H 1 40 THR H 4.890 . 4.890 4.872 4.626 4.972 0.082 12 0 "[ . 1 . 2]" 2
276 1 25 PHE O 1 39 PHE H 2.200 . 2.200 1.920 1.796 2.055 0.004 20 0 "[ . 1 . 2]" 2
277 1 26 SER HA 1 27 HIS QB 5.000 . 5.000 3.908 3.877 3.974 . 0 0 "[ . 1 . 2]" 2
278 1 26 SER QB 1 27 HIS H 3.780 . 3.780 2.647 2.416 3.429 . 0 0 "[ . 1 . 2]" 2
279 1 26 SER QB 1 39 PHE H . . 4.690 3.439 3.060 3.958 . 0 0 "[ . 1 . 2]" 2
280 1 26 SER QB 1 36 THR MG 5.000 . 5.000 3.287 2.453 4.813 . 0 0 "[ . 1 . 2]" 2
281 1 26 SER QB 1 38 MET H 5.000 . 5.000 4.568 4.289 5.013 0.013 16 0 "[ . 1 . 2]" 2
282 1 26 SER HA 1 27 HIS H 3.300 . 3.300 2.325 2.247 2.363 . 0 0 "[ . 1 . 2]" 2
283 1 26 SER H 1 27 HIS H 5.000 . 5.000 4.414 4.354 4.453 . 0 0 "[ . 1 . 2]" 2
284 1 27 HIS H 1 39 PHE H 5.500 . 5.500 5.492 5.230 5.623 0.123 7 0 "[ . 1 . 2]" 2
285 1 27 HIS HD2 1 55 LEU MD1 5.000 . 5.000 3.621 1.863 5.074 0.074 8 0 "[ . 1 . 2]" 2
286 1 27 HIS HA 1 28 ASN H 4.000 . 4.000 2.204 2.169 2.244 . 0 0 "[ . 1 . 2]" 2
287 1 27 HIS H 1 28 ASN H 5.000 . 5.000 4.292 4.247 4.333 . 0 0 "[ . 1 . 2]" 2
288 1 27 HIS QB 1 28 ASN H 5.000 . 5.000 3.589 3.477 3.655 . 0 0 "[ . 1 . 2]" 2
289 1 27 HIS H 1 36 THR MG 5.000 . 5.000 3.624 2.857 4.871 . 0 0 "[ . 1 . 2]" 2
290 1 27 HIS H 1 37 CYS O 2.200 . 2.200 2.268 2.191 2.331 0.131 19 0 "[ . 1 . 2]" 2
291 1 27 HIS H 1 37 CYS H 4.060 . 4.060 3.109 2.851 3.361 . 0 0 "[ . 1 . 2]" 2
292 1 27 HIS H 1 38 MET QG 5.000 . 5.000 3.977 3.222 4.525 . 0 0 "[ . 1 . 2]" 2
293 1 27 HIS QB 1 55 LEU MD2 5.390 . 5.390 3.749 2.446 4.195 . 0 0 "[ . 1 . 2]" 2
294 1 27 HIS HD2 1 55 LEU MD2 7.290 . 7.290 5.939 4.537 7.209 . 0 0 "[ . 1 . 2]" 2
295 1 27 HIS O 1 37 CYS H 2.200 . 2.200 2.252 2.105 2.323 0.123 10 0 "[ . 1 . 2]" 2
296 1 28 ASN HA 1 29 VAL H 3.620 . 3.620 2.211 2.154 2.326 . 0 0 "[ . 1 . 2]" 2
297 1 28 ASN QB 1 29 VAL H 4.280 . 4.280 2.869 2.626 3.257 . 0 0 "[ . 1 . 2]" 2
298 1 28 ASN HA 1 29 VAL MG2 5.000 . 5.000 4.150 3.322 5.329 0.329 4 0 "[ . 1 . 2]" 2
299 1 28 ASN QD 1 29 VAL H 5.000 . 5.000 3.828 3.641 4.248 . 0 0 "[ . 1 . 2]" 2
300 1 28 ASN H 1 29 VAL H 5.000 . 5.000 4.523 4.427 4.589 . 0 0 "[ . 1 . 2]" 2
301 1 28 ASN QD 1 36 THR MG 5.540 . 5.540 2.138 1.815 3.024 . 0 0 "[ . 1 . 2]" 2
302 1 28 ASN H 1 28 ASN QD 5.000 . 5.000 3.917 3.596 4.407 . 0 0 "[ . 1 . 2]" 2
303 1 28 ASN HA 1 36 THR H 5.000 . 5.000 5.063 4.913 5.115 0.115 8 0 "[ . 1 . 2]" 2
304 1 28 ASN HA 1 36 THR MG 5.000 . 5.000 3.385 2.594 4.434 . 0 0 "[ . 1 . 2]" 2
305 1 28 ASN HA 1 37 CYS H 5.000 . 5.000 3.756 3.455 4.014 . 0 0 "[ . 1 . 2]" 2
306 1 29 VAL MG1 1 55 LEU QB . . 4.500 2.901 2.029 3.485 . 0 0 "[ . 1 . 2]" 2
307 1 29 VAL H 1 29 VAL MG2 . . 4.700 3.085 2.060 3.923 . 0 0 "[ . 1 . 2]" 2
308 1 29 VAL H 1 55 LEU MD2 7.200 . 7.200 5.558 3.628 6.577 . 0 0 "[ . 1 . 2]" 2
309 1 29 VAL H 1 55 LEU MD1 5.000 . 5.000 4.275 3.849 5.071 0.071 18 0 "[ . 1 . 2]" 2
310 1 29 VAL MG1 1 57 THR MG 6.500 . 6.500 2.724 1.820 4.938 . 0 0 "[ . 1 . 2]" 2
311 1 29 VAL MG1 1 30 GLY H 5.000 . 5.000 3.257 2.549 3.941 . 0 0 "[ . 1 . 2]" 2
312 1 29 VAL HB 1 30 GLY H 4.350 . 4.350 3.982 2.657 4.255 . 0 0 "[ . 1 . 2]" 2
313 1 29 VAL MG2 1 30 GLY H 5.000 . 5.000 3.433 2.401 4.109 . 0 0 "[ . 1 . 2]" 2
314 1 29 VAL HA 1 30 GLY H 3.540 . 3.540 2.182 2.138 2.305 . 0 0 "[ . 1 . 2]" 2
315 1 29 VAL H 1 30 GLY H 4.850 . 4.850 4.350 4.298 4.444 . 0 0 "[ . 1 . 2]" 2
316 1 29 VAL H 1 35 TYR O 2.200 . 2.200 2.002 1.878 2.194 . 0 0 "[ . 1 . 2]" 2
317 1 29 VAL H 1 35 TYR H 5.000 . 5.000 3.705 2.912 3.997 . 0 0 "[ . 1 . 2]" 2
318 1 29 VAL H 1 29 VAL HB . . 4.270 3.048 2.657 3.868 . 0 0 "[ . 1 . 2]" 2
319 1 30 GLY H 1 31 PRO QD 5.000 . 5.000 4.154 3.925 4.315 . 0 0 "[ . 1 . 2]" 2
320 1 30 GLY QA 1 35 TYR QD 7.000 . 7.000 3.588 3.013 4.523 . 0 0 "[ . 1 . 2]" 2
321 1 31 PRO QB 1 32 GLY H 3.830 . 3.830 3.114 3.020 3.227 . 0 0 "[ . 1 . 2]" 2
322 1 31 PRO HA 1 32 GLY H 3.810 . 3.810 2.224 2.205 2.253 . 0 0 "[ . 1 . 2]" 2
323 1 32 GLY QA 1 33 ASP H 3.870 . 3.870 2.948 2.898 2.967 . 0 0 "[ . 1 . 2]" 2
324 1 32 GLY H 1 33 ASP H 3.940 . 3.940 2.615 2.578 2.640 . 0 0 "[ . 1 . 2]" 2
325 1 33 ASP HA 1 34 LYS H 5.000 . 5.000 2.787 2.598 2.894 . 0 0 "[ . 1 . 2]" 2
326 1 33 ASP H 1 34 LYS H 5.000 . 5.000 2.795 2.745 2.931 . 0 0 "[ . 1 . 2]" 2
327 1 33 ASP HA 1 35 TYR H 4.200 . 4.200 3.524 3.318 3.577 . 0 0 "[ . 1 . 2]" 2
328 1 33 ASP QB 1 35 TYR H 5.000 . 5.000 4.674 4.386 4.737 . 0 0 "[ . 1 . 2]" 2
329 1 34 LYS QG 1 35 TYR QE 6.400 . 6.400 4.314 2.233 5.211 . 0 0 "[ . 1 . 2]" 2
330 1 34 LYS QB 1 35 TYR H . . 4.480 2.672 2.522 3.617 . 0 0 "[ . 1 . 2]" 2
331 1 34 LYS H 1 35 TYR H 4.330 . 4.330 2.694 2.638 2.738 . 0 0 "[ . 1 . 2]" 2
332 1 34 LYS QG 1 35 TYR QD 6.000 . 6.000 4.230 2.343 5.157 . 0 0 "[ . 1 . 2]" 2
333 1 34 LYS QE 1 35 TYR QE 5.200 . 5.200 4.107 2.187 5.405 0.205 18 0 "[ . 1 . 2]" 2
334 1 34 LYS HA 1 35 TYR H 5.000 . 5.000 3.539 3.500 3.554 . 0 0 "[ . 1 . 2]" 2
335 1 34 LYS QG 1 35 TYR H 5.600 . 5.600 3.974 2.291 4.182 . 0 0 "[ . 1 . 2]" 2
336 1 35 TYR QE 1 57 THR MG 6.000 . 6.000 4.454 3.406 5.569 . 0 0 "[ . 1 . 2]" 2
337 1 35 TYR QD 1 57 THR MG 5.000 . 5.000 3.763 3.115 4.674 . 0 0 "[ . 1 . 2]" 2
338 1 35 TYR QE 1 61 HIS HA 5.000 . 5.000 4.583 3.581 5.065 0.065 18 0 "[ . 1 . 2]" 2
339 1 35 TYR HA 1 64 PHE QD 5.500 . 5.500 5.218 4.711 5.532 0.032 20 0 "[ . 1 . 2]" 2
340 1 35 TYR HA 1 64 PHE QE 5.000 . 5.000 4.728 3.814 5.068 0.068 12 0 "[ . 1 . 2]" 2
341 1 35 TYR QB 1 64 PHE QE 5.000 . 5.000 3.174 2.395 3.851 . 0 0 "[ . 1 . 2]" 2
342 1 35 TYR QB 1 64 PHE HZ 5.000 . 5.000 4.049 3.531 4.447 . 0 0 "[ . 1 . 2]" 2
343 1 35 TYR QD 1 36 THR H 5.600 . 5.600 4.093 3.740 4.443 . 0 0 "[ . 1 . 2]" 2
344 1 35 TYR H 1 36 THR H 5.000 . 5.000 4.373 4.152 4.496 . 0 0 "[ . 1 . 2]" 2
345 1 35 TYR QB 1 36 THR H 5.000 . 5.000 3.221 2.862 3.484 . 0 0 "[ . 1 . 2]" 2
346 1 35 TYR HA 1 36 THR H 3.450 . 3.450 2.156 2.124 2.240 . 0 0 "[ . 1 . 2]" 2
347 1 35 TYR H 1 35 TYR QD 4.130 . 4.130 2.752 2.412 3.257 . 0 0 "[ . 1 . 2]" 2
348 1 35 TYR HA 1 35 TYR QD 4.000 . 4.000 2.799 2.439 2.951 . 0 0 "[ . 1 . 2]" 2
349 1 35 TYR HA 1 87 ARG H 5.000 . 5.000 4.728 4.297 5.007 0.007 4 0 "[ . 1 . 2]" 2
350 1 35 TYR QD 1 88 GLY QA 6.000 . 6.000 3.345 2.107 4.495 . 0 0 "[ . 1 . 2]" 2
351 1 35 TYR QE 1 89 ALA MB 7.500 . 7.500 2.575 1.969 3.410 . 0 0 "[ . 1 . 2]" 2
352 1 35 TYR QD 1 89 ALA MB 7.500 . 7.500 2.854 2.365 3.297 . 0 0 "[ . 1 . 2]" 2
353 1 35 TYR QE 1 142 ALA HA 7.500 . 7.500 3.078 2.034 3.804 . 0 0 "[ . 1 . 2]" 2
354 1 35 TYR QE 1 143 SER H 7.000 . 7.000 4.545 3.100 5.621 . 0 0 "[ . 1 . 2]" 2
355 1 36 THR H 1 37 CYS H 4.530 . 4.530 4.375 4.314 4.443 . 0 0 "[ . 1 . 2]" 2
356 1 36 THR HB 1 37 CYS H 5.000 . 5.000 4.086 3.918 4.179 . 0 0 "[ . 1 . 2]" 2
357 1 36 THR MG 1 37 CYS H 5.000 . 5.000 2.710 2.397 3.484 . 0 0 "[ . 1 . 2]" 2
358 1 36 THR HA 1 37 CYS H 3.570 . 3.570 2.212 2.153 2.399 . 0 0 "[ . 1 . 2]" 2
359 1 36 THR MG 1 37 CYS HA 5.000 . 5.000 3.730 3.544 3.810 . 0 0 "[ . 1 . 2]" 2
360 1 36 THR H 1 37 CYS HA 5.000 . 5.000 4.885 4.815 4.964 . 0 0 "[ . 1 . 2]" 2
361 1 36 THR H 1 36 THR MG 4.630 . 4.630 3.662 2.548 3.943 . 0 0 "[ . 1 . 2]" 2
362 1 36 THR H 1 36 THR HB 3.940 . 3.940 2.844 2.687 3.305 . 0 0 "[ . 1 . 2]" 2
363 1 36 THR H 1 86 VAL HB 4.990 . 4.990 4.523 4.254 4.796 . 0 0 "[ . 1 . 2]" 2
364 1 36 THR H 1 86 VAL HA 5.000 . 5.000 4.893 4.686 5.054 0.054 4 0 "[ . 1 . 2]" 2
365 1 36 THR H 1 87 ARG QB 5.000 . 5.000 3.230 2.556 3.702 . 0 0 "[ . 1 . 2]" 2
366 1 36 THR MG 1 87 ARG QG 6.500 . 6.500 3.631 2.217 4.614 . 0 0 "[ . 1 . 2]" 2
367 1 36 THR H 1 87 ARG H 5.000 . 5.000 2.998 2.718 3.199 . 0 0 "[ . 1 . 2]" 2
368 1 36 THR MG 1 87 ARG H 5.600 . 5.600 3.746 2.156 4.424 . 0 0 "[ . 1 . 2]" 2
369 1 36 THR HB 1 87 ARG H 5.000 . 5.000 3.534 2.704 5.085 0.085 20 0 "[ . 1 . 2]" 2
370 1 36 THR H 1 88 GLY QA . . 5.300 3.798 3.674 3.958 . 0 0 "[ . 1 . 2]" 2
371 1 36 THR H 1 64 PHE QE 5.000 . 5.000 4.433 4.137 4.768 . 0 0 "[ . 1 . 2]" 2
372 1 36 THR MG 1 38 MET QG 5.000 . 5.000 2.317 2.053 2.722 . 0 0 "[ . 1 . 2]" 2
373 1 36 THR MG 1 38 MET H 5.500 . 5.500 4.068 3.963 4.352 . 0 0 "[ . 1 . 2]" 2
374 1 37 CYS H 1 55 LEU MD2 5.000 . 5.000 3.903 2.765 4.486 . 0 0 "[ . 1 . 2]" 2
375 1 37 CYS QB 1 55 LEU MD1 5.000 . 5.000 2.863 2.447 3.765 . 0 0 "[ . 1 . 2]" 2
376 1 37 CYS HA 1 86 VAL MG2 5.800 . 5.800 4.620 4.524 4.768 . 0 0 "[ . 1 . 2]" 2
377 1 37 CYS HA 1 86 VAL H 5.100 . 5.100 5.174 5.038 5.244 0.144 15 0 "[ . 1 . 2]" 2
378 1 37 CYS HA 1 86 VAL MG1 5.000 . 5.000 2.117 2.044 2.351 . 0 0 "[ . 1 . 2]" 2
379 1 37 CYS H 1 86 VAL MG1 6.210 . 6.210 4.697 4.546 4.936 . 0 0 "[ . 1 . 2]" 2
380 1 37 CYS HA 1 87 ARG H 4.780 . 4.780 3.743 3.637 3.865 . 0 0 "[ . 1 . 2]" 2
381 1 37 CYS H 1 87 ARG H 5.000 . 5.000 4.989 4.914 5.052 0.052 2 0 "[ . 1 . 2]" 2
382 1 37 CYS QB 1 64 PHE QE . . 5.000 3.082 2.129 3.829 . 0 0 "[ . 1 . 2]" 2
383 1 37 CYS HA 1 64 PHE QE 6.000 . 6.000 4.158 3.755 4.516 . 0 0 "[ . 1 . 2]" 2
384 1 37 CYS HA 1 38 MET H 3.230 . 3.230 2.146 2.112 2.189 . 0 0 "[ . 1 . 2]" 2
385 1 37 CYS QB 1 38 MET H 5.000 . 5.000 3.723 3.211 3.866 . 0 0 "[ . 1 . 2]" 2
386 1 37 CYS QB 1 64 PHE QD 6.500 . 6.500 4.930 3.988 5.532 . 0 0 "[ . 1 . 2]" 2
387 1 37 CYS QB 1 55 LEU MD2 5.000 . 5.000 2.025 1.789 2.322 0.011 6 0 "[ . 1 . 2]" 2
388 1 37 CYS H 1 55 LEU MD1 5.500 . 5.500 3.721 3.134 4.873 . 0 0 "[ . 1 . 2]" 2
389 1 37 CYS H 1 38 MET QG 5.000 . 5.000 4.014 3.458 4.454 . 0 0 "[ . 1 . 2]" 2
390 1 37 CYS QB 1 38 MET HA 5.000 . 5.000 4.571 4.155 4.751 . 0 0 "[ . 1 . 2]" 2
391 1 38 MET HA 1 39 PHE H 3.410 . 3.410 2.191 2.148 2.226 . 0 0 "[ . 1 . 2]" 2
392 1 38 MET H 1 84 ALA HA 5.000 . 5.000 5.022 4.868 5.127 0.127 9 0 "[ . 1 . 2]" 2
393 1 38 MET QB 1 85 GLU H 4.840 . 4.840 3.069 2.812 3.551 . 0 0 "[ . 1 . 2]" 2
394 1 38 MET HA 1 85 GLU H 4.890 . 4.890 4.893 4.756 5.011 0.121 5 0 "[ . 1 . 2]" 2
395 1 38 MET H 1 85 GLU O 2.200 . 2.200 1.886 1.816 1.977 . 0 0 "[ . 1 . 2]" 2
396 1 38 MET HA 1 39 PHE QB 4.500 . 4.500 4.069 3.892 4.432 . 0 0 "[ . 1 . 2]" 2
397 1 38 MET QG 1 39 PHE H 5.000 . 5.000 4.062 3.908 4.588 . 0 0 "[ . 1 . 2]" 2
398 1 38 MET QB 1 39 PHE H 5.000 . 5.000 2.937 2.719 3.107 . 0 0 "[ . 1 . 2]" 2
399 1 38 MET H 1 39 PHE H 5.000 . 5.000 4.448 4.353 4.482 . 0 0 "[ . 1 . 2]" 2
400 1 38 MET H 1 39 PHE HA 5.000 . 5.000 5.036 4.949 5.078 0.078 4 0 "[ . 1 . 2]" 2
401 1 38 MET H 1 86 VAL HA 4.590 . 4.590 2.909 2.788 3.059 . 0 0 "[ . 1 . 2]" 2
402 1 38 MET H 1 86 VAL MG1 4.840 . 4.840 2.888 2.631 3.301 . 0 0 "[ . 1 . 2]" 2
403 1 38 MET H 1 38 MET QB . . 3.840 2.562 2.474 2.852 . 0 0 "[ . 1 . 2]" 2
404 1 38 MET H 1 86 VAL MG2 6.330 . 6.330 5.094 5.002 5.282 . 0 0 "[ . 1 . 2]" 2
405 1 38 MET H 1 38 MET QG 4.530 . 4.530 2.756 2.570 3.060 . 0 0 "[ . 1 . 2]" 2
406 1 38 MET H 1 87 ARG H 4.830 . 4.830 4.801 4.527 4.946 0.116 14 0 "[ . 1 . 2]" 2
407 1 38 MET O 1 85 GLU H 2.200 . 2.200 2.055 1.827 2.255 0.055 8 0 "[ . 1 . 2]" 2
408 1 39 PHE H 1 40 THR H 5.000 . 5.000 4.185 4.029 4.361 . 0 0 "[ . 1 . 2]" 2
409 1 39 PHE H 1 68 ILE MD 6.200 . 6.200 5.218 4.562 6.337 0.137 12 0 "[ . 1 . 2]" 2
410 1 39 PHE QD 1 68 ILE MG 5.300 . 5.300 4.045 3.326 5.066 . 0 0 "[ . 1 . 2]" 2
411 1 39 PHE HA 1 83 LYS H 5.000 . 5.000 4.835 4.631 5.063 0.063 9 0 "[ . 1 . 2]" 2
412 1 39 PHE QD 1 83 LYS H 5.200 . 5.200 4.608 4.335 5.125 . 0 0 "[ . 1 . 2]" 2
413 1 39 PHE QB 1 84 ALA MB 6.000 . 6.000 3.777 2.786 4.235 . 0 0 "[ . 1 . 2]" 2
414 1 39 PHE HA 1 84 ALA MB 5.000 . 5.000 3.512 3.285 3.880 . 0 0 "[ . 1 . 2]" 2
415 1 39 PHE QD 1 84 ALA MB 5.400 . 5.400 2.241 1.871 4.295 . 0 0 "[ . 1 . 2]" 2
416 1 39 PHE QD 1 84 ALA H 6.800 . 6.800 4.783 4.101 6.771 . 0 0 "[ . 1 . 2]" 2
417 1 39 PHE HA 1 39 PHE QD 4.000 . 4.000 2.581 2.386 3.721 . 0 0 "[ . 1 . 2]" 2
418 1 39 PHE H 1 39 PHE QD 5.500 . 5.500 4.148 3.005 4.434 . 0 0 "[ . 1 . 2]" 2
419 1 39 PHE QD 1 40 THR H 4.500 . 4.500 3.677 3.411 4.136 . 0 0 "[ . 1 . 2]" 2
420 1 39 PHE QB 1 40 THR H 5.000 . 5.000 3.677 2.706 3.912 . 0 0 "[ . 1 . 2]" 2
421 1 39 PHE HA 1 40 THR H 3.540 . 3.540 2.144 2.115 2.182 . 0 0 "[ . 1 . 2]" 2
422 1 40 THR H 1 83 LYS O 2.200 . 2.200 1.983 1.836 2.224 0.024 15 0 "[ . 1 . 2]" 2
423 1 40 THR HB 1 83 LYS H 4.780 . 4.780 4.252 3.613 4.668 . 0 0 "[ . 1 . 2]" 2
424 1 40 THR H 1 83 LYS QG 5.000 . 5.000 3.717 2.739 4.372 . 0 0 "[ . 1 . 2]" 2
425 1 40 THR MG 1 83 LYS H 5.800 . 5.800 4.706 4.281 4.968 . 0 0 "[ . 1 . 2]" 2
426 1 40 THR MG 1 83 LYS QB 5.000 . 5.000 3.921 3.174 4.687 . 0 0 "[ . 1 . 2]" 2
427 1 40 THR HA 1 40 THR MG 3.580 . 3.580 2.361 2.285 2.423 . 0 0 "[ . 1 . 2]" 2
428 1 40 THR H 1 84 ALA MB 5.630 . 5.630 4.457 4.201 4.776 . 0 0 "[ . 1 . 2]" 2
429 1 40 THR H 1 84 ALA HA 4.400 . 4.400 3.412 3.137 3.757 . 0 0 "[ . 1 . 2]" 2
430 1 40 THR H 1 40 THR MG 4.550 . 4.550 3.840 3.033 3.933 . 0 0 "[ . 1 . 2]" 2
431 1 40 THR H 1 40 THR HB 3.900 . 3.900 2.729 2.600 3.735 . 0 0 "[ . 1 . 2]" 2
432 1 40 THR MG 1 41 TYR H 3.580 . 3.580 2.680 2.520 3.582 0.002 16 0 "[ . 1 . 2]" 2
433 1 40 THR HA 1 41 TYR H 3.310 . 3.310 2.197 2.161 2.251 . 0 0 "[ . 1 . 2]" 2
434 1 40 THR MG 1 41 TYR HA 5.000 . 5.000 3.633 3.421 5.245 0.245 16 0 "[ . 1 . 2]" 2
435 1 40 THR H 1 85 GLU H 4.890 . 4.890 4.587 4.363 4.959 0.069 19 0 "[ . 1 . 2]" 2
436 1 40 THR H 1 41 TYR QB 5.000 . 5.000 4.518 4.180 4.631 . 0 0 "[ . 1 . 2]" 2
437 1 40 THR MG 1 81 GLN QE 5.000 . 5.000 3.566 2.577 4.758 . 0 0 "[ . 1 . 2]" 2
438 1 40 THR HB 1 41 TYR H 5.000 . 5.000 4.122 2.758 4.277 . 0 0 "[ . 1 . 2]" 2
439 1 40 THR O 1 83 LYS H 2.200 . 2.200 2.048 1.857 2.260 0.060 17 0 "[ . 1 . 2]" 2
440 1 41 TYR HA 1 81 GLN H 5.000 . 5.000 4.923 4.662 5.060 0.060 20 0 "[ . 1 . 2]" 2
441 1 41 TYR HA 1 42 ALA H 3.620 . 3.620 2.343 2.303 2.388 . 0 0 "[ . 1 . 2]" 2
442 1 41 TYR QB 1 42 ALA H 3.950 . 3.950 2.463 2.382 2.504 . 0 0 "[ . 1 . 2]" 2
443 1 41 TYR H 1 42 ALA H 5.000 . 5.000 4.418 4.349 4.437 . 0 0 "[ . 1 . 2]" 2
444 1 41 TYR HA 1 82 PHE H 5.000 . 5.000 4.619 4.482 4.764 . 0 0 "[ . 1 . 2]" 2
445 1 41 TYR QB 1 82 PHE QD 6.000 . 6.000 4.194 2.212 4.783 . 0 0 "[ . 1 . 2]" 2
446 1 41 TYR HA 1 83 LYS H 4.350 . 4.350 3.553 3.428 3.741 . 0 0 "[ . 1 . 2]" 2
447 1 41 TYR QB 1 83 LYS H 4.910 . 4.910 3.281 2.542 3.927 . 0 0 "[ . 1 . 2]" 2
448 1 41 TYR H 1 83 LYS H 5.000 . 5.000 4.993 4.879 5.044 0.044 19 0 "[ . 1 . 2]" 2
449 1 41 TYR QB 1 79 PHE QD 7.000 . 7.000 3.156 2.344 3.541 . 0 0 "[ . 1 . 2]" 2
450 1 41 TYR QB 1 79 PHE QE 6.400 . 6.400 3.858 2.722 4.537 . 0 0 "[ . 1 . 2]" 2
451 1 42 ALA MB 1 81 GLN QE 5.000 . 5.000 2.679 1.861 3.197 . 0 0 "[ . 1 . 2]" 2
452 1 42 ALA H 1 82 PHE HA 4.440 . 4.440 3.566 3.380 4.174 . 0 0 "[ . 1 . 2]" 2
453 1 42 ALA MB 1 81 GLN H 5.000 . 5.000 3.166 2.756 3.564 . 0 0 "[ . 1 . 2]" 2
454 1 42 ALA H 1 81 GLN QG 4.080 . 4.080 2.638 1.847 3.200 . 0 0 "[ . 1 . 2]" 2
455 1 42 ALA HA 1 43 SER H 3.590 . 3.590 2.163 2.125 2.200 . 0 0 "[ . 1 . 2]" 2
456 1 42 ALA H 1 80 THR H 5.000 . 5.000 4.428 4.071 4.741 . 0 0 "[ . 1 . 2]" 2
457 1 42 ALA MB 1 80 THR H 5.000 . 5.000 3.710 3.464 3.910 . 0 0 "[ . 1 . 2]" 2
458 1 42 ALA MB 1 43 SER H 3.880 . 3.880 3.103 2.886 3.252 . 0 0 "[ . 1 . 2]" 2
459 1 42 ALA O 1 81 GLN H 2.350 . 2.350 2.385 2.348 2.422 0.072 1 0 "[ . 1 . 2]" 2
460 1 43 SER QB 1 77 LEU MD2 . . 5.200 3.266 2.557 3.710 . 0 0 "[ . 1 . 2]" 2
461 1 43 SER HA 1 78 TYR H 5.000 . 5.000 4.985 4.788 5.103 0.103 18 0 "[ . 1 . 2]" 2
462 1 43 SER HA 1 78 TYR QD 6.500 . 6.500 4.473 4.151 4.978 . 0 0 "[ . 1 . 2]" 2
463 1 43 SER QB 1 79 PHE QD 5.000 . 5.000 4.039 3.570 4.367 . 0 0 "[ . 1 . 2]" 2
464 1 43 SER H 1 79 PHE HA 5.000 . 5.000 4.954 4.695 5.087 0.087 19 0 "[ . 1 . 2]" 2
465 1 43 SER H 1 80 THR H 4.900 . 4.900 4.651 4.397 4.881 . 0 0 "[ . 1 . 2]" 2
466 1 43 SER HA 1 80 THR H 3.960 . 3.960 2.505 2.210 2.740 . 0 0 "[ . 1 . 2]" 2
467 1 43 SER QB 1 44 GLN H 3.710 . 3.710 2.461 2.227 2.650 . 0 0 "[ . 1 . 2]" 2
468 1 43 SER QB 1 80 THR H 5.000 . 5.000 4.467 4.168 4.684 . 0 0 "[ . 1 . 2]" 2
469 1 43 SER HA 1 80 THR MG 5.000 . 5.000 3.385 2.954 4.826 . 0 0 "[ . 1 . 2]" 2
470 1 43 SER HA 1 44 GLN QB 5.000 . 5.000 3.973 3.868 4.080 . 0 0 "[ . 1 . 2]" 2
471 1 43 SER HA 1 44 GLN H 3.710 . 3.710 2.357 2.248 2.463 . 0 0 "[ . 1 . 2]" 2
472 1 43 SER QB 1 45 GLY H 5.460 . 5.460 4.952 4.882 5.034 . 0 0 "[ . 1 . 2]" 2
473 1 43 SER H 1 44 GLN H 5.000 . 5.000 4.461 4.432 4.482 . 0 0 "[ . 1 . 2]" 2
474 1 43 SER QB 1 77 LEU QB 4.490 . 4.490 2.530 2.224 2.862 . 0 0 "[ . 1 . 2]" 2
475 1 43 SER HA 1 81 GLN H 4.660 . 4.660 4.325 4.204 4.429 . 0 0 "[ . 1 . 2]" 2
476 1 44 GLN QB 1 78 TYR H 5.000 . 5.000 3.816 3.552 4.201 . 0 0 "[ . 1 . 2]" 2
477 1 44 GLN QB 1 78 TYR QD 5.000 . 5.000 2.848 2.343 3.140 . 0 0 "[ . 1 . 2]" 2
478 1 44 GLN H 1 78 TYR QB 5.000 . 5.000 2.984 2.544 3.283 . 0 0 "[ . 1 . 2]" 2
479 1 44 GLN H 1 79 PHE HA 4.730 . 4.730 3.778 3.352 4.001 . 0 0 "[ . 1 . 2]" 2
480 1 44 GLN HA 1 45 GLY H 3.540 . 3.540 2.163 2.136 2.193 . 0 0 "[ . 1 . 2]" 2
481 1 44 GLN QB 1 45 GLY H 5.000 . 5.000 3.730 3.610 3.767 . 0 0 "[ . 1 . 2]" 2
482 1 44 GLN QG 1 45 GLY H 5.000 . 5.000 2.758 2.450 2.840 . 0 0 "[ . 1 . 2]" 2
483 1 44 GLN QG 1 45 GLY HA2 5.000 . 5.000 3.491 3.372 4.175 . 0 0 "[ . 1 . 2]" 2
484 1 44 GLN H 1 79 PHE H 5.000 . 5.000 4.926 4.627 5.038 0.038 16 0 "[ . 1 . 2]" 2
485 1 44 GLN H 1 44 GLN QG . . 5.000 4.158 4.113 4.230 . 0 0 "[ . 1 . 2]" 2
486 1 44 GLN H 1 45 GLY H 4.400 . 4.400 4.362 4.291 4.422 0.022 6 0 "[ . 1 . 2]" 2
487 1 44 GLN HA 1 45 GLY HA3 5.000 . 5.000 4.400 4.339 4.439 . 0 0 "[ . 1 . 2]" 2
488 1 44 GLN H 1 80 THR H 5.000 . 5.000 4.153 3.683 4.684 . 0 0 "[ . 1 . 2]" 2
489 1 44 GLN QG 1 80 THR MG 7.000 . 7.000 4.437 3.693 5.650 . 0 0 "[ . 1 . 2]" 2
490 1 44 GLN H 1 80 THR MG 5.000 . 5.000 3.753 3.191 5.325 0.325 6 0 "[ . 1 . 2]" 2
491 1 44 GLN H 1 77 LEU HA 5.000 . 5.000 5.004 4.726 5.174 0.174 6 0 "[ . 1 . 2]" 2
492 1 44 GLN H 1 77 LEU MD2 6.000 . 6.000 4.409 3.596 4.919 . 0 0 "[ . 1 . 2]" 2
493 1 44 GLN H 1 77 LEU QB 5.000 . 5.000 3.854 3.439 4.174 . 0 0 "[ . 1 . 2]" 2
494 1 44 GLN H 1 78 TYR QD 5.200 . 5.200 3.677 3.226 4.009 . 0 0 "[ . 1 . 2]" 2
495 1 44 GLN H 1 78 TYR H 4.000 . 4.000 3.230 2.974 3.448 . 0 0 "[ . 1 . 2]" 2
496 1 45 GLY HA3 1 77 LEU HA 5.000 . 5.000 4.355 3.799 5.033 0.033 14 0 "[ . 1 . 2]" 2
497 1 45 GLY H 1 46 GLY H 5.000 . 5.000 4.389 4.349 4.441 . 0 0 "[ . 1 . 2]" 2
498 1 45 GLY HA2 1 46 GLY H 3.000 . 3.000 2.611 2.436 2.736 . 0 0 "[ . 1 . 2]" 2
499 1 45 GLY HA3 1 46 GLY H 3.660 . 3.660 2.564 2.474 2.733 . 0 0 "[ . 1 . 2]" 2
500 1 45 GLY HA3 1 78 TYR H 5.000 . 5.000 4.528 4.122 5.037 0.037 17 0 "[ . 1 . 2]" 2
501 1 46 GLY HA2 1 47 THR H 3.330 . 3.330 3.181 2.944 3.395 0.065 17 0 "[ . 1 . 2]" 2
502 1 46 GLY HA3 1 47 THR H 3.600 . 3.600 3.369 2.184 3.523 . 0 0 "[ . 1 . 2]" 2
503 1 46 GLY H 1 47 THR H 4.450 . 4.450 2.371 2.024 4.522 0.072 14 0 "[ . 1 . 2]" 2
504 1 47 THR MG 1 48 ASN H 4.810 . 4.810 3.262 1.922 3.918 . 0 0 "[ . 1 . 2]" 2
505 1 47 THR H 1 47 THR HB . . 3.740 3.251 2.680 3.852 0.112 8 0 "[ . 1 . 2]" 2
506 1 47 THR H 1 47 THR MG 4.550 . 4.550 3.143 2.265 3.988 . 0 0 "[ . 1 . 2]" 2
507 1 47 THR H 1 77 LEU MD2 5.000 . 5.000 3.425 2.636 4.272 . 0 0 "[ . 1 . 2]" 2
508 1 47 THR H 1 77 LEU MD1 6.820 . 6.820 4.924 3.763 5.969 . 0 0 "[ . 1 . 2]" 2
509 1 47 THR H 1 48 ASN HA 5.000 . 5.000 4.922 4.823 5.009 0.009 17 0 "[ . 1 . 2]" 2
510 1 47 THR H 1 48 ASN H 5.000 . 5.000 4.412 4.361 4.481 . 0 0 "[ . 1 . 2]" 2
511 1 47 THR HA 1 48 ASN H 2.940 . 2.940 2.234 2.137 2.398 . 0 0 "[ . 1 . 2]" 2
512 1 47 THR HB 1 48 ASN H 4.120 . 4.120 3.632 2.493 4.178 0.058 19 0 "[ . 1 . 2]" 2
513 1 48 ASN QB 1 49 GLU H . . 4.220 2.794 2.132 3.412 . 0 0 "[ . 1 . 2]" 2
514 1 48 ASN H 1 49 GLU H 4.530 . 4.530 4.568 4.510 4.615 0.085 10 0 "[ . 1 . 2]" 2
515 1 48 ASN HA 1 49 GLU H 3.650 . 3.650 2.256 2.167 2.446 . 0 0 "[ . 1 . 2]" 2
516 1 48 ASN H 1 48 ASN QD 5.000 . 5.000 3.973 3.325 4.362 . 0 0 "[ . 1 . 2]" 2
517 1 48 ASN H 1 48 ASN QB . . 3.640 2.394 2.095 2.879 . 0 0 "[ . 1 . 2]" 2
518 1 48 ASN QD 1 49 GLU H 5.000 . 5.000 4.054 3.047 4.860 . 0 0 "[ . 1 . 2]" 2
519 1 49 GLU H 1 49 GLU QG . . 4.510 3.682 2.859 4.257 . 0 0 "[ . 1 . 2]" 2
520 1 49 GLU QB 1 50 GLN H 5.000 . 5.000 2.969 2.335 3.639 . 0 0 "[ . 1 . 2]" 2
521 1 49 GLU QG 1 50 GLN H 5.000 . 5.000 3.534 2.216 4.453 . 0 0 "[ . 1 . 2]" 2
522 1 49 GLU HA 1 50 GLN H 3.300 . 3.300 2.235 2.173 2.399 . 0 0 "[ . 1 . 2]" 2
523 1 49 GLU H 1 51 TRP HD1 4.680 . 4.680 4.521 3.947 4.739 0.059 8 0 "[ . 1 . 2]" 2
524 1 49 GLU H 1 51 TRP HE1 5.000 . 5.000 4.915 4.267 5.104 0.104 15 0 "[ . 1 . 2]" 2
525 1 49 GLU H 1 77 LEU MD1 5.000 . 5.000 4.233 3.523 5.077 0.077 4 0 "[ . 1 . 2]" 2
526 1 49 GLU QG 1 77 LEU MD2 5.500 . 5.500 4.180 2.663 5.292 . 0 0 "[ . 1 . 2]" 2
527 1 49 GLU QB 1 77 LEU MD2 6.000 . 6.000 4.251 3.343 5.415 . 0 0 "[ . 1 . 2]" 2
528 1 49 GLU H 1 77 LEU MD2 6.800 . 6.800 5.145 4.102 5.988 . 0 0 "[ . 1 . 2]" 2
529 1 50 GLN H 1 50 GLN QG 5.000 . 5.000 3.801 2.201 4.171 . 0 0 "[ . 1 . 2]" 2
530 1 50 GLN H 1 50 GLN QE 5.800 . 5.800 5.229 4.447 5.540 . 0 0 "[ . 1 . 2]" 2
531 1 50 GLN H 1 50 GLN QB 3.800 . 3.800 2.360 2.277 2.715 . 0 0 "[ . 1 . 2]" 2
532 1 50 GLN QG 1 51 TRP H 5.000 . 5.000 3.096 2.722 4.060 . 0 0 "[ . 1 . 2]" 2
533 1 50 GLN QB 1 51 TRP HA 5.300 . 5.300 4.567 4.183 4.781 . 0 0 "[ . 1 . 2]" 2
534 1 50 GLN H 1 51 TRP HD1 3.940 . 3.940 3.753 3.342 3.969 0.029 19 0 "[ . 1 . 2]" 2
535 1 50 GLN HA 1 51 TRP H 3.640 . 3.640 2.132 2.092 2.150 . 0 0 "[ . 1 . 2]" 2
536 1 50 GLN QB 1 51 TRP H 4.270 . 4.270 3.718 2.954 3.853 . 0 0 "[ . 1 . 2]" 2
537 1 50 GLN H 1 51 TRP H 4.590 . 4.590 4.413 4.287 4.529 . 0 0 "[ . 1 . 2]" 2
538 1 51 TRP HA 1 69 TRP H 5.000 . 5.000 5.122 4.996 5.245 0.245 18 0 "[ . 1 . 2]" 2
539 1 51 TRP HE3 1 70 ARG H 5.000 . 5.000 4.763 4.350 5.020 0.020 12 0 "[ . 1 . 2]" 2
540 1 51 TRP HZ2 1 79 PHE QD 6.680 . 6.680 5.728 5.305 6.106 . 0 0 "[ . 1 . 2]" 2
541 1 51 TRP HH2 1 79 PHE QE 5.000 . 5.000 3.848 3.413 4.178 . 0 0 "[ . 1 . 2]" 2
542 1 51 TRP HZ2 1 79 PHE QE 5.000 . 5.000 3.677 3.287 4.029 . 0 0 "[ . 1 . 2]" 2
543 1 51 TRP HE1 1 77 LEU MD2 7.500 . 7.500 5.479 4.043 6.507 . 0 0 "[ . 1 . 2]" 2
544 1 51 TRP H 1 52 GLN H 5.000 . 5.000 4.448 4.393 4.476 . 0 0 "[ . 1 . 2]" 2
545 1 51 TRP HA 1 52 GLN H 4.010 . 4.010 2.170 2.129 2.263 . 0 0 "[ . 1 . 2]" 2
546 1 51 TRP QB 1 52 GLN H . . 4.110 2.929 2.802 3.025 . 0 0 "[ . 1 . 2]" 2
547 1 51 TRP HE3 1 52 GLN H 4.580 . 4.580 4.344 3.990 4.630 0.050 2 0 "[ . 1 . 2]" 2
548 1 51 TRP HZ3 1 68 ILE MG 5.000 . 5.000 2.915 2.140 3.379 . 0 0 "[ . 1 . 2]" 2
549 1 51 TRP HE3 1 68 ILE MG 5.000 . 5.000 2.067 1.869 2.304 . 0 0 "[ . 1 . 2]" 2
550 1 51 TRP HH2 1 133 LEU MD1 5.600 . 5.600 4.074 2.056 5.121 . 0 0 "[ . 1 . 2]" 2
551 1 52 GLN H 1 68 ILE MG 5.500 . 5.500 4.318 3.744 4.966 . 0 0 "[ . 1 . 2]" 2
552 1 52 GLN HA 1 52 GLN QG 3.760 . 3.760 2.374 2.260 2.791 . 0 0 "[ . 1 . 2]" 2
553 1 52 GLN H 1 69 TRP O 2.200 . 2.200 2.023 1.874 2.249 0.049 1 0 "[ . 1 . 2]" 2
554 1 52 GLN H 1 69 TRP H 4.220 . 4.220 3.515 3.214 3.776 . 0 0 "[ . 1 . 2]" 2
555 1 52 GLN QB 1 69 TRP H . . 4.740 3.750 3.109 4.109 . 0 0 "[ . 1 . 2]" 2
556 1 52 GLN H 1 52 GLN QG 4.320 . 4.320 2.751 2.584 2.970 . 0 0 "[ . 1 . 2]" 2
557 1 52 GLN QG 1 53 MET H 5.000 . 5.000 3.963 3.742 4.522 . 0 0 "[ . 1 . 2]" 2
558 1 52 GLN HA 1 53 MET H 3.630 . 3.630 2.181 2.124 2.242 . 0 0 "[ . 1 . 2]" 2
559 1 52 GLN QG 1 69 TRP HZ2 5.000 . 5.000 4.318 3.516 4.948 . 0 0 "[ . 1 . 2]" 2
560 1 52 GLN H 1 70 ARG HA 4.680 . 4.680 3.188 2.679 3.765 . 0 0 "[ . 1 . 2]" 2
561 1 52 GLN QB 1 53 MET H 5.000 . 5.000 2.933 2.781 3.173 . 0 0 "[ . 1 . 2]" 2
562 1 52 GLN H 1 53 MET H 5.000 . 5.000 4.479 4.409 4.520 . 0 0 "[ . 1 . 2]" 2
563 1 52 GLN QE 1 53 MET H 5.000 . 5.000 4.654 3.905 4.906 . 0 0 "[ . 1 . 2]" 2
564 1 52 GLN QE 1 71 PRO QG 5.000 . 5.000 4.120 3.944 4.222 . 0 0 "[ . 1 . 2]" 2
565 1 52 GLN H 1 71 PRO QD 5.000 . 5.000 2.862 2.331 3.349 . 0 0 "[ . 1 . 2]" 2
566 1 52 GLN H 1 71 PRO QG 5.000 . 5.000 4.154 3.517 4.750 . 0 0 "[ . 1 . 2]" 2
567 1 52 GLN O 1 69 TRP H 2.200 . 2.200 1.869 1.774 1.934 0.026 9 0 "[ . 1 . 2]" 2
568 1 53 MET QG 1 69 TRP H 5.000 . 5.000 4.606 3.958 5.023 0.023 20 0 "[ . 1 . 2]" 2
569 1 53 MET H 1 53 MET QG . . 5.000 4.130 2.325 4.322 . 0 0 "[ . 1 . 2]" 2
570 1 53 MET HA 1 67 THR H 5.000 . 5.000 4.807 4.550 4.999 . 0 0 "[ . 1 . 2]" 2
571 1 53 MET QG 1 67 THR H 5.000 . 5.000 3.599 3.320 5.096 0.096 20 0 "[ . 1 . 2]" 2
572 1 53 MET QB 1 54 SER H 4.550 . 4.550 3.621 2.669 3.777 . 0 0 "[ . 1 . 2]" 2
573 1 53 MET H 1 54 SER QB 5.600 . 5.600 4.889 4.576 5.506 . 0 0 "[ . 1 . 2]" 2
574 1 53 MET H 1 54 SER H 4.360 . 4.360 4.330 4.277 4.427 0.067 20 0 "[ . 1 . 2]" 2
575 1 53 MET HA 1 54 SER H 3.680 . 3.680 2.210 2.165 2.307 . 0 0 "[ . 1 . 2]" 2
576 1 53 MET HA 1 54 SER QB 5.000 . 5.000 4.118 3.966 4.366 . 0 0 "[ . 1 . 2]" 2
577 1 53 MET QG 1 54 SER H 5.000 . 5.000 2.558 2.086 3.620 . 0 0 "[ . 1 . 2]" 2
578 1 53 MET H 1 54 SER HA 5.000 . 5.000 4.789 4.755 4.835 . 0 0 "[ . 1 . 2]" 2
579 1 53 MET HA 1 69 TRP H 4.670 . 4.670 3.326 3.014 3.502 . 0 0 "[ . 1 . 2]" 2
580 1 54 SER H 1 55 LEU H 5.000 . 5.000 4.396 4.327 4.478 . 0 0 "[ . 1 . 2]" 2
581 1 54 SER H 1 69 TRP H 5.000 . 5.000 5.011 4.907 5.088 0.088 17 0 "[ . 1 . 2]" 2
582 1 54 SER H 1 54 SER QB . . 3.800 2.650 2.430 3.146 . 0 0 "[ . 1 . 2]" 2
583 1 54 SER H 1 68 ILE HA 4.480 . 4.480 3.719 3.626 3.849 . 0 0 "[ . 1 . 2]" 2
584 1 54 SER H 1 66 CYS HA 5.000 . 5.000 4.967 4.489 5.128 0.128 5 0 "[ . 1 . 2]" 2
585 1 54 SER H 1 68 ILE QG 4.680 . 4.680 4.231 3.944 4.451 . 0 0 "[ . 1 . 2]" 2
586 1 54 SER QB 1 67 THR MG 5.600 . 5.600 4.049 2.878 5.328 . 0 0 "[ . 1 . 2]" 2
587 1 54 SER H 1 67 THR O 2.200 . 2.200 1.862 1.808 1.945 . 0 0 "[ . 1 . 2]" 2
588 1 54 SER H 1 67 THR H 4.110 . 4.110 3.154 2.805 3.256 . 0 0 "[ . 1 . 2]" 2
589 1 54 SER H 1 67 THR MG 5.420 . 5.420 3.991 3.363 4.325 . 0 0 "[ . 1 . 2]" 2
590 1 54 SER QB 1 69 TRP HZ3 5.000 . 5.000 2.180 1.870 2.894 . 0 0 "[ . 1 . 2]" 2
591 1 54 SER QB 1 69 TRP HE3 5.000 . 5.000 4.281 3.877 5.079 0.079 6 0 "[ . 1 . 2]" 2
592 1 54 SER QB 1 69 TRP HH2 3.800 . 3.800 2.160 1.868 3.356 . 0 0 "[ . 1 . 2]" 2
593 1 54 SER QB 1 55 LEU H 4.390 . 4.390 3.332 2.578 3.705 . 0 0 "[ . 1 . 2]" 2
594 1 54 SER HA 1 55 LEU H 3.680 . 3.680 2.174 2.115 2.282 . 0 0 "[ . 1 . 2]" 2
595 1 54 SER H 1 69 TRP HE3 5.000 . 5.000 3.700 3.479 4.288 . 0 0 "[ . 1 . 2]" 2
596 1 54 SER O 1 67 THR H 2.200 . 2.200 1.998 1.883 2.172 . 0 0 "[ . 1 . 2]" 2
597 1 55 LEU MD2 1 67 THR H 5.600 . 5.600 3.437 2.583 5.357 . 0 0 "[ . 1 . 2]" 2
598 1 55 LEU H 1 67 THR H 5.000 . 5.000 5.050 4.914 5.129 0.129 9 0 "[ . 1 . 2]" 2
599 1 55 LEU HA 1 67 THR H 4.510 . 4.510 3.554 3.279 4.027 . 0 0 "[ . 1 . 2]" 2
600 1 55 LEU HG 1 56 GLY H 5.000 . 5.000 4.936 4.448 5.121 0.121 2 0 "[ . 1 . 2]" 2
601 1 55 LEU QB 1 56 GLY H . . 4.500 3.084 2.936 3.544 . 0 0 "[ . 1 . 2]" 2
602 1 55 LEU HA 1 56 GLY H 3.420 . 3.420 2.191 2.145 2.263 . 0 0 "[ . 1 . 2]" 2
603 1 55 LEU MD2 1 57 THR MG 7.000 . 7.000 4.800 3.662 5.283 . 0 0 "[ . 1 . 2]" 2
604 1 55 LEU H 1 55 LEU HG 4.930 . 4.930 2.895 2.676 3.681 . 0 0 "[ . 1 . 2]" 2
605 1 55 LEU MD2 1 64 PHE QE 5.800 . 5.800 2.769 2.303 3.499 . 0 0 "[ . 1 . 2]" 2
606 1 55 LEU H 1 55 LEU MD2 5.000 . 5.000 3.900 3.673 4.497 . 0 0 "[ . 1 . 2]" 2
607 1 55 LEU QB 1 64 PHE QE 7.200 . 7.200 3.680 2.567 4.936 . 0 0 "[ . 1 . 2]" 2
608 1 55 LEU MD2 1 64 PHE QD 6.500 . 6.500 3.875 2.403 4.631 . 0 0 "[ . 1 . 2]" 2
609 1 55 LEU HA 1 64 PHE QD 6.500 . 6.500 5.003 3.891 5.982 . 0 0 "[ . 1 . 2]" 2
610 1 55 LEU MD2 1 64 PHE QB 6.600 . 6.600 5.446 4.088 6.130 . 0 0 "[ . 1 . 2]" 2
611 1 55 LEU H 1 55 LEU MD1 5.000 . 5.000 3.682 2.079 3.957 . 0 0 "[ . 1 . 2]" 2
612 1 55 LEU HG 1 64 PHE QE 8.310 . 8.310 5.461 4.445 6.554 . 0 0 "[ . 1 . 2]" 2
613 1 55 LEU HA 1 65 THR H 5.000 . 5.000 4.719 4.333 4.986 . 0 0 "[ . 1 . 2]" 2
614 1 55 LEU MD2 1 66 CYS QB 5.000 . 5.000 2.889 2.516 3.707 . 0 0 "[ . 1 . 2]" 2
615 1 56 GLY H 1 57 THR H 5.000 . 5.000 4.422 4.328 4.523 . 0 0 "[ . 1 . 2]" 2
616 1 56 GLY H 1 57 THR MG 5.290 . 5.290 3.961 3.752 4.190 . 0 0 "[ . 1 . 2]" 2
617 1 56 GLY QA 1 57 THR MG . . 4.670 3.374 3.277 3.519 . 0 0 "[ . 1 . 2]" 2
618 1 56 GLY H 1 65 THR H 4.070 . 4.070 2.986 2.630 3.245 . 0 0 "[ . 1 . 2]" 2
619 1 56 GLY QA 1 65 THR H 5.000 . 5.000 3.831 3.548 4.123 . 0 0 "[ . 1 . 2]" 2
620 1 56 GLY H 1 65 THR O 2.200 . 2.200 2.149 1.931 2.286 0.086 19 0 "[ . 1 . 2]" 2
621 1 56 GLY H 1 67 THR H 5.000 . 5.000 4.956 4.729 5.068 0.068 1 0 "[ . 1 . 2]" 2
622 1 56 GLY QA 1 57 THR H 3.730 . 3.730 2.166 2.123 2.219 . 0 0 "[ . 1 . 2]" 2
623 1 56 GLY H 1 66 CYS H 5.000 . 5.000 5.085 4.967 5.236 0.236 2 0 "[ . 1 . 2]" 2
624 1 56 GLY H 1 66 CYS HA 4.330 . 4.330 3.876 3.576 4.199 . 0 0 "[ . 1 . 2]" 2
625 1 56 GLY H 1 64 PHE QD 6.000 . 6.000 4.141 3.172 5.025 . 0 0 "[ . 1 . 2]" 2
626 1 56 GLY H 1 64 PHE HA 5.000 . 5.000 4.831 4.523 5.038 0.038 8 0 "[ . 1 . 2]" 2
627 1 56 GLY O 1 65 THR H 2.200 . 2.200 1.918 1.851 2.080 . 0 0 "[ . 1 . 2]" 2
628 1 57 THR MG 1 58 SER H 4.580 . 4.580 3.737 3.680 3.788 . 0 0 "[ . 1 . 2]" 2
629 1 57 THR HA 1 58 SER H 3.360 . 3.360 2.326 2.285 2.363 . 0 0 "[ . 1 . 2]" 2
630 1 57 THR H 1 58 SER H 5.000 . 5.000 4.453 4.429 4.490 . 0 0 "[ . 1 . 2]" 2
631 1 57 THR HB 1 58 SER H 3.570 . 3.570 2.548 2.431 2.635 . 0 0 "[ . 1 . 2]" 2
632 1 57 THR H 1 57 THR MG 3.930 . 3.930 2.900 2.809 2.961 . 0 0 "[ . 1 . 2]" 2
633 1 57 THR HB 1 61 HIS H 5.000 . 5.000 4.429 3.875 4.761 . 0 0 "[ . 1 . 2]" 2
634 1 57 THR MG 1 61 HIS HD2 5.000 . 5.000 4.455 3.828 5.180 0.180 11 0 "[ . 1 . 2]" 2
635 1 57 THR MG 1 61 HIS H 6.800 . 6.800 5.720 5.229 5.998 . 0 0 "[ . 1 . 2]" 2
636 1 57 THR HB 1 63 HIS H 5.000 . 5.000 4.955 4.455 5.100 0.100 20 0 "[ . 1 . 2]" 2
637 1 57 THR H 1 57 THR HB 4.130 . 4.130 3.837 3.816 3.872 . 0 0 "[ . 1 . 2]" 2
638 1 57 THR MG 1 64 PHE QD 6.000 . 6.000 2.616 1.830 3.828 . 0 0 "[ . 1 . 2]" 2
639 1 57 THR MG 1 64 PHE HA 5.000 . 5.000 3.097 2.606 3.661 . 0 0 "[ . 1 . 2]" 2
640 1 57 THR MG 1 65 THR H 5.200 . 5.200 3.755 3.296 4.286 . 0 0 "[ . 1 . 2]" 2
641 1 57 THR MG 1 64 PHE QB 5.000 . 5.000 2.494 1.858 3.302 . 0 0 "[ . 1 . 2]" 2
642 1 58 SER H 1 61 HIS H 3.810 . 3.810 3.829 3.499 3.974 0.164 8 0 "[ . 1 . 2]" 2
643 1 58 SER HA 1 63 HIS H 5.000 . 5.000 4.787 4.464 5.151 0.151 20 0 "[ . 1 . 2]" 2
644 1 58 SER QB 1 63 HIS QB 5.000 . 5.000 2.118 2.026 2.281 . 0 0 "[ . 1 . 2]" 2
645 1 58 SER H 1 64 PHE QD 6.660 . 6.660 5.631 5.312 5.980 . 0 0 "[ . 1 . 2]" 2
646 1 58 SER H 1 64 PHE H 5.420 . 5.420 5.095 4.904 5.278 . 0 0 "[ . 1 . 2]" 2
647 1 58 SER QB 1 63 HIS H 5.000 . 5.000 2.542 1.810 3.047 . 0 0 "[ . 1 . 2]" 2
648 1 58 SER H 1 63 HIS H 3.810 . 3.810 3.133 3.003 3.412 . 0 0 "[ . 1 . 2]" 2
649 1 58 SER H 1 63 HIS QB 5.000 . 5.000 3.644 3.484 3.940 . 0 0 "[ . 1 . 2]" 2
650 1 58 SER QB 1 64 PHE HA 5.300 . 5.300 4.932 4.385 5.284 . 0 0 "[ . 1 . 2]" 2
651 1 58 SER QB 1 59 GLU H 4.280 . 4.280 2.585 2.281 3.514 . 0 0 "[ . 1 . 2]" 2
652 1 58 SER HA 1 59 GLU QB 5.500 . 5.500 4.329 4.162 4.512 . 0 0 "[ . 1 . 2]" 2
653 1 58 SER HA 1 59 GLU H 3.920 . 3.920 2.410 2.265 2.525 . 0 0 "[ . 1 . 2]" 2
654 1 58 SER HA 1 60 ASP H 4.980 . 4.980 4.318 3.967 4.532 . 0 0 "[ . 1 . 2]" 2
655 1 59 GLU QG 1 60 ASP H 5.600 . 5.600 3.142 2.260 3.622 . 0 0 "[ . 1 . 2]" 2
656 1 59 GLU HA 1 60 ASP H 4.560 . 4.560 3.525 3.478 3.549 . 0 0 "[ . 1 . 2]" 2
657 1 59 GLU H 1 60 ASP H 4.610 . 4.610 2.678 2.582 2.738 . 0 0 "[ . 1 . 2]" 2
658 1 59 GLU H 1 59 GLU QB . . 3.870 2.333 2.214 2.533 . 0 0 "[ . 1 . 2]" 2
659 1 59 GLU QB 1 61 HIS H 5.200 . 5.200 4.599 4.335 4.936 . 0 0 "[ . 1 . 2]" 2
660 1 59 GLU H 1 59 GLU QG 4.270 . 4.270 3.295 1.984 4.001 . 0 0 "[ . 1 . 2]" 2
661 1 59 GLU QG 1 61 HIS H 5.000 . 5.000 4.659 4.207 4.946 . 0 0 "[ . 1 . 2]" 2
662 1 59 GLU HA 1 61 HIS H 4.650 . 4.650 3.835 3.620 3.939 . 0 0 "[ . 1 . 2]" 2
663 1 59 GLU H 1 61 HIS H 4.610 . 4.610 3.903 3.721 4.098 . 0 0 "[ . 1 . 2]" 2
664 1 59 GLU QB 1 60 ASP H 4.270 . 4.270 2.918 2.489 3.633 . 0 0 "[ . 1 . 2]" 2
665 1 60 ASP H 1 61 HIS HD2 5.000 . 5.000 4.880 4.380 5.077 0.077 14 0 "[ . 1 . 2]" 2
666 1 60 ASP QB 1 61 HIS H 5.000 . 5.000 3.521 3.298 3.986 . 0 0 "[ . 1 . 2]" 2
667 1 60 ASP H 1 62 GLN H 5.000 . 5.000 3.693 3.519 4.174 . 0 0 "[ . 1 . 2]" 2
668 1 60 ASP QB 1 62 GLN H 5.000 . 5.000 3.116 2.736 3.945 . 0 0 "[ . 1 . 2]" 2
669 1 61 HIS H 1 61 HIS HD2 5.000 . 5.000 2.736 2.221 3.354 . 0 0 "[ . 1 . 2]" 2
670 1 61 HIS H 1 62 GLN H 3.510 . 3.510 2.733 2.635 2.951 . 0 0 "[ . 1 . 2]" 2
671 1 61 HIS HA 1 62 GLN H 5.000 . 5.000 3.006 2.874 3.372 . 0 0 "[ . 1 . 2]" 2
672 1 61 HIS QB 1 62 GLN H 5.000 . 5.000 3.780 3.484 3.845 . 0 0 "[ . 1 . 2]" 2
673 1 62 GLN H 1 63 HIS H 3.590 . 3.590 2.265 2.119 2.627 . 0 0 "[ . 1 . 2]" 2
674 1 62 GLN QG 1 63 HIS H 5.000 . 5.000 4.253 4.125 4.522 . 0 0 "[ . 1 . 2]" 2
675 1 62 GLN H 1 63 HIS HD2 7.500 . 7.500 6.690 5.322 7.385 . 0 0 "[ . 1 . 2]" 2
676 1 62 GLN QB 1 63 HIS H 4.860 . 4.860 2.907 2.613 3.045 . 0 0 "[ . 1 . 2]" 2
677 1 62 GLN H 1 62 GLN QE 5.000 . 5.000 3.460 2.190 3.698 . 0 0 "[ . 1 . 2]" 2
678 1 62 GLN H 1 62 GLN QG 3.870 . 3.870 2.766 2.390 3.653 . 0 0 "[ . 1 . 2]" 2
679 1 62 GLN H 1 62 GLN QB . . 3.860 2.391 2.032 2.504 . 0 0 "[ . 1 . 2]" 2
680 1 62 GLN QB 1 63 HIS HD2 5.000 . 5.000 4.585 3.328 4.966 . 0 0 "[ . 1 . 2]" 2
681 1 62 GLN H 1 63 HIS HA 5.000 . 5.000 4.994 4.896 5.243 0.243 20 0 "[ . 1 . 2]" 2
682 1 62 GLN QE 1 142 ALA MB 5.500 . 5.500 4.011 3.503 4.755 . 0 0 "[ . 1 . 2]" 2
683 1 62 GLN HA 1 63 HIS H 4.210 . 4.210 3.477 3.439 3.541 . 0 0 "[ . 1 . 2]" 2
684 1 63 HIS H 1 64 PHE H 5.000 . 5.000 4.449 4.394 4.548 . 0 0 "[ . 1 . 2]" 2
685 1 63 HIS QB 1 64 PHE H . . 4.400 2.851 2.665 3.045 . 0 0 "[ . 1 . 2]" 2
686 1 63 HIS HA 1 64 PHE H 3.300 . 3.300 2.215 2.134 2.289 . 0 0 "[ . 1 . 2]" 2
687 1 63 HIS H 1 63 HIS HD2 5.200 . 5.200 4.921 3.846 5.220 0.020 12 0 "[ . 1 . 2]" 2
688 1 63 HIS HD2 1 139 VAL MG1 5.200 . 5.200 4.361 3.269 5.297 0.097 15 0 "[ . 1 . 2]" 2
689 1 63 HIS HE1 1 141 LYS QG 5.000 . 5.000 4.533 3.206 4.966 . 0 0 "[ . 1 . 2]" 2
690 1 63 HIS HE1 1 141 LYS QD 6.500 . 6.500 5.088 3.024 6.191 . 0 0 "[ . 1 . 2]" 2
691 1 63 HIS HE1 1 141 LYS QE 5.000 . 5.000 4.515 3.576 5.116 0.116 12 0 "[ . 1 . 2]" 2
692 1 63 HIS HD2 1 64 PHE H 5.000 . 5.000 4.282 3.969 4.852 . 0 0 "[ . 1 . 2]" 2
693 1 63 HIS QB 1 64 PHE HA 5.000 . 5.000 4.041 3.844 4.171 . 0 0 "[ . 1 . 2]" 2
694 1 63 HIS HA 1 142 ALA H 5.000 . 5.000 2.997 2.346 3.528 . 0 0 "[ . 1 . 2]" 2
695 1 64 PHE QD 1 66 CYS QB . . 5.800 4.509 3.516 5.508 . 0 0 "[ . 1 . 2]" 2
696 1 64 PHE QE 1 66 CYS QB . . 5.500 3.286 2.389 4.271 . 0 0 "[ . 1 . 2]" 2
697 1 64 PHE HZ 1 87 ARG H 5.000 . 5.000 4.371 3.505 4.991 . 0 0 "[ . 1 . 2]" 2
698 1 64 PHE QE 1 87 ARG H 5.780 . 5.780 4.479 3.929 5.192 . 0 0 "[ . 1 . 2]" 2
699 1 64 PHE HZ 1 86 VAL MG1 5.000 . 5.000 3.041 2.362 3.694 . 0 0 "[ . 1 . 2]" 2
700 1 64 PHE QE 1 86 VAL HA 5.800 . 5.800 4.731 4.076 5.600 . 0 0 "[ . 1 . 2]" 2
701 1 64 PHE QD 1 89 ALA MB 6.500 . 6.500 2.588 2.061 3.236 . 0 0 "[ . 1 . 2]" 2
702 1 64 PHE QE 1 89 ALA MB 5.500 . 5.500 2.857 1.809 3.932 . 0 0 "[ . 1 . 2]" 2
703 1 64 PHE QD 1 86 VAL MG1 6.500 . 6.500 4.563 3.663 5.428 . 0 0 "[ . 1 . 2]" 2
704 1 64 PHE QE 1 86 VAL MG2 5.800 . 5.800 3.309 2.652 4.350 . 0 0 "[ . 1 . 2]" 2
705 1 64 PHE HA 1 65 THR MG 5.000 . 5.000 3.607 3.347 5.331 0.331 2 0 "[ . 1 . 2]" 2
706 1 64 PHE H 1 139 VAL HA 5.000 . 5.000 5.038 4.878 5.151 0.151 6 0 "[ . 1 . 2]" 2
707 1 64 PHE H 1 139 VAL MG1 5.000 . 5.000 4.091 3.837 4.404 . 0 0 "[ . 1 . 2]" 2
708 1 64 PHE QD 1 140 ALA MB 5.000 . 5.000 2.469 1.850 3.736 . 0 0 "[ . 1 . 2]" 2
709 1 64 PHE HA 1 140 ALA H 5.000 . 5.000 5.016 4.854 5.121 0.121 18 0 "[ . 1 . 2]" 2
710 1 64 PHE QE 1 140 ALA MB 5.600 . 5.600 2.824 1.798 3.277 0.002 10 0 "[ . 1 . 2]" 2
711 1 64 PHE H 1 140 ALA O 2.200 . 2.200 2.034 1.873 2.326 0.126 17 0 "[ . 1 . 2]" 2
712 1 64 PHE H 1 140 ALA MB 5.000 . 5.000 3.928 3.227 4.255 . 0 0 "[ . 1 . 2]" 2
713 1 64 PHE H 1 140 ALA H 4.240 . 4.240 3.516 3.259 3.772 . 0 0 "[ . 1 . 2]" 2
714 1 64 PHE HZ 1 140 ALA MB 5.000 . 5.000 4.363 3.253 5.229 0.229 9 0 "[ . 1 . 2]" 2
715 1 64 PHE QD 1 140 ALA H 5.000 . 5.000 3.925 3.259 4.746 . 0 0 "[ . 1 . 2]" 2
716 1 64 PHE QE 1 86 VAL MG1 5.000 . 5.000 2.837 1.898 3.821 . 0 0 "[ . 1 . 2]" 2
717 1 64 PHE H 1 141 LYS HA 4.380 . 4.380 3.377 2.837 4.070 . 0 0 "[ . 1 . 2]" 2
718 1 64 PHE QD 1 142 ALA HA 7.000 . 7.000 5.297 4.305 5.641 . 0 0 "[ . 1 . 2]" 2
719 1 64 PHE HA 1 65 THR H 3.340 . 3.340 2.282 2.173 2.405 . 0 0 "[ . 1 . 2]" 2
720 1 64 PHE QB 1 65 THR H 5.000 . 5.000 3.290 2.563 3.811 . 0 0 "[ . 1 . 2]" 2
721 1 64 PHE QE 1 142 ALA HA 7.170 . 7.170 6.295 4.881 7.305 0.135 15 0 "[ . 1 . 2]" 2
722 1 64 PHE QD 1 65 THR H 5.000 . 5.000 3.128 2.601 3.536 . 0 0 "[ . 1 . 2]" 2
723 1 64 PHE H 1 142 ALA H 4.910 . 4.910 4.222 3.501 4.969 0.059 20 0 "[ . 1 . 2]" 2
724 1 64 PHE O 1 140 ALA H 2.200 . 2.200 1.881 1.784 2.053 0.016 4 0 "[ . 1 . 2]" 2
725 1 65 THR MG 1 66 CYS HA 6.580 . 6.580 5.433 3.926 5.532 . 0 0 "[ . 1 . 2]" 2
726 1 65 THR HB 1 140 ALA H 5.000 . 5.000 5.050 4.767 5.259 0.259 2 0 "[ . 1 . 2]" 2
727 1 65 THR HA 1 66 CYS H 3.570 . 3.570 2.244 2.148 2.285 . 0 0 "[ . 1 . 2]" 2
728 1 65 THR MG 1 66 CYS H 5.000 . 5.000 3.721 2.368 3.879 . 0 0 "[ . 1 . 2]" 2
729 1 65 THR H 1 66 CYS H 4.420 . 4.420 4.426 4.328 4.457 0.037 12 0 "[ . 1 . 2]" 2
730 1 65 THR HB 1 66 CYS H 5.000 . 5.000 2.783 2.657 4.008 . 0 0 "[ . 1 . 2]" 2
731 1 65 THR H 1 65 THR MG . . 3.880 2.947 2.842 3.890 0.010 2 0 "[ . 1 . 2]" 2
732 1 65 THR HB 1 138 ILE H 5.000 . 5.000 4.428 4.011 5.276 0.276 2 0 "[ . 1 . 2]" 2
733 1 65 THR HB 1 139 VAL MG1 5.500 . 5.500 4.354 4.208 4.667 . 0 0 "[ . 1 . 2]" 2
734 1 65 THR H 1 139 VAL HA 5.000 . 5.000 5.054 4.861 5.143 0.143 9 0 "[ . 1 . 2]" 2
735 1 65 THR H 1 65 THR HB . . 4.000 3.779 2.745 3.856 . 0 0 "[ . 1 . 2]" 2
736 1 66 CYS H 1 140 ALA H 4.780 . 4.780 4.733 4.357 4.859 0.079 11 0 "[ . 1 . 2]" 2
737 1 66 CYS H 1 137 VAL HA 4.830 . 4.830 4.868 4.763 4.987 0.157 2 0 "[ . 1 . 2]" 2
738 1 66 CYS QB 1 138 ILE H 5.000 . 5.000 3.729 3.591 4.002 . 0 0 "[ . 1 . 2]" 2
739 1 66 CYS H 1 138 ILE O 2.200 . 2.200 1.913 1.832 2.091 . 0 0 "[ . 1 . 2]" 2
740 1 66 CYS H 1 138 ILE HB 4.640 . 4.640 3.250 2.877 4.739 0.099 20 0 "[ . 1 . 2]" 2
741 1 66 CYS QB 1 138 ILE MD 5.000 . 5.000 2.930 2.215 3.383 . 0 0 "[ . 1 . 2]" 2
742 1 66 CYS H 1 138 ILE H 4.030 . 4.030 3.107 2.975 3.220 . 0 0 "[ . 1 . 2]" 2
743 1 66 CYS QB 1 67 THR H 5.000 . 5.000 3.758 3.049 3.932 . 0 0 "[ . 1 . 2]" 2
744 1 66 CYS HA 1 67 THR H 3.290 . 3.290 2.187 2.138 2.220 . 0 0 "[ . 1 . 2]" 2
745 1 66 CYS H 1 139 VAL HA 4.000 . 4.000 3.754 3.602 3.944 . 0 0 "[ . 1 . 2]" 2
746 1 67 THR MG 1 137 VAL HB 6.000 . 6.000 4.424 2.662 5.794 . 0 0 "[ . 1 . 2]" 2
747 1 67 THR HB 1 69 TRP H 5.870 . 5.870 5.900 5.748 5.967 0.097 20 0 "[ . 1 . 2]" 2
748 1 67 THR MG 1 69 TRP QB 5.000 . 5.000 3.002 2.847 3.272 . 0 0 "[ . 1 . 2]" 2
749 1 67 THR HB 1 68 ILE H 5.000 . 5.000 4.163 4.088 4.301 . 0 0 "[ . 1 . 2]" 2
750 1 67 THR HA 1 138 ILE H 4.350 . 4.350 3.444 3.332 3.741 . 0 0 "[ . 1 . 2]" 2
751 1 67 THR H 1 67 THR MG 4.600 . 4.600 3.895 3.855 3.925 . 0 0 "[ . 1 . 2]" 2
752 1 67 THR HA 1 67 THR MG 3.360 . 3.360 2.368 2.273 2.470 . 0 0 "[ . 1 . 2]" 2
753 1 67 THR H 1 67 THR HB . . 3.740 2.685 2.544 2.752 . 0 0 "[ . 1 . 2]" 2
754 1 67 THR MG 1 69 TRP HE3 5.000 . 5.000 2.073 1.875 2.382 . 0 0 "[ . 1 . 2]" 2
755 1 67 THR HA 1 68 ILE H 3.380 . 3.380 2.127 2.105 2.157 . 0 0 "[ . 1 . 2]" 2
756 1 67 THR MG 1 68 ILE H 5.000 . 5.000 2.616 2.432 2.804 . 0 0 "[ . 1 . 2]" 2
757 1 68 ILE H 1 68 ILE QG 3.620 . 3.620 2.899 2.668 3.390 . 0 0 "[ . 1 . 2]" 2
758 1 68 ILE HA 1 68 ILE MD 4.570 . 4.570 3.805 3.390 3.911 . 0 0 "[ . 1 . 2]" 2
759 1 68 ILE HB 1 68 ILE MD 3.740 . 3.740 2.269 2.140 2.353 . 0 0 "[ . 1 . 2]" 2
760 1 68 ILE MG 1 69 TRP H 4.090 . 4.090 2.721 2.495 2.898 . 0 0 "[ . 1 . 2]" 2
761 1 68 ILE QG 1 69 TRP H 5.000 . 5.000 4.271 4.187 4.495 . 0 0 "[ . 1 . 2]" 2
762 1 68 ILE HA 1 69 TRP H 3.570 . 3.570 2.217 2.191 2.245 . 0 0 "[ . 1 . 2]" 2
763 1 68 ILE H 1 68 ILE HB . . 3.850 2.685 2.573 2.827 . 0 0 "[ . 1 . 2]" 2
764 1 68 ILE MG 1 136 LEU H 5.000 . 5.000 4.018 3.644 4.614 . 0 0 "[ . 1 . 2]" 2
765 1 68 ILE H 1 136 LEU O 2.200 . 2.200 2.002 1.861 2.237 0.037 5 0 "[ . 1 . 2]" 2
766 1 68 ILE H 1 136 LEU H 4.280 . 4.280 3.055 2.829 3.302 . 0 0 "[ . 1 . 2]" 2
767 1 68 ILE HB 1 136 LEU H 4.120 . 4.120 3.191 2.674 3.835 . 0 0 "[ . 1 . 2]" 2
768 1 68 ILE H 1 137 VAL HA 4.690 . 4.690 3.809 3.513 4.171 . 0 0 "[ . 1 . 2]" 2
769 1 68 ILE H 1 68 ILE MD 4.730 . 4.730 3.519 2.131 3.927 . 0 0 "[ . 1 . 2]" 2
770 1 68 ILE H 1 69 TRP H 5.000 . 5.000 4.356 4.253 4.416 . 0 0 "[ . 1 . 2]" 2
771 1 68 ILE H 1 138 ILE H 5.000 . 5.000 5.028 4.846 5.149 0.149 20 0 "[ . 1 . 2]" 2
772 1 68 ILE O 1 136 LEU H 2.200 . 2.200 1.853 1.784 2.010 0.016 8 0 "[ . 1 . 2]" 2
773 1 69 TRP HA 1 136 LEU H 4.570 . 4.570 3.670 3.485 4.050 . 0 0 "[ . 1 . 2]" 2
774 1 69 TRP H 1 69 TRP HE3 4.170 . 4.170 2.782 2.505 3.113 . 0 0 "[ . 1 . 2]" 2
775 1 69 TRP QB 1 136 LEU H 4.620 . 4.620 3.939 2.867 4.347 . 0 0 "[ . 1 . 2]" 2
776 1 69 TRP HA 1 70 ARG H 3.880 . 3.880 2.373 2.296 2.432 . 0 0 "[ . 1 . 2]" 2
777 1 69 TRP QB 1 70 ARG H 3.920 . 3.920 2.459 2.400 2.554 . 0 0 "[ . 1 . 2]" 2
778 1 69 TRP H 1 70 ARG H 5.000 . 5.000 4.453 4.420 4.481 . 0 0 "[ . 1 . 2]" 2
779 1 69 TRP H 1 69 TRP HD1 5.170 . 5.170 4.872 4.646 5.174 0.004 5 0 "[ . 1 . 2]" 2
780 1 69 TRP HE3 1 135 LYS QG 5.400 . 5.400 4.467 4.106 5.634 0.234 17 0 "[ . 1 . 2]" 2
781 1 69 TRP QB 1 135 LYS HA 5.000 . 5.000 3.293 2.165 3.744 . 0 0 "[ . 1 . 2]" 2
782 1 69 TRP QB 1 135 LYS QB 4.990 . 4.990 2.911 1.864 3.317 . 0 0 "[ . 1 . 2]" 2
783 1 69 TRP HD1 1 135 LYS QG 6.690 . 6.690 5.189 4.209 6.682 . 0 0 "[ . 1 . 2]" 2
784 1 70 ARG H 1 70 ARG QB 3.880 . 3.880 2.436 2.292 2.967 . 0 0 "[ . 1 . 2]" 2
785 1 70 ARG H 1 134 SER HA 5.000 . 5.000 4.540 3.762 5.035 0.035 9 0 "[ . 1 . 2]" 2
786 1 70 ARG H 1 135 LYS HA 5.000 . 5.000 4.017 3.690 4.457 . 0 0 "[ . 1 . 2]" 2
787 1 70 ARG H 1 135 LYS QB 5.000 . 5.000 3.784 2.986 4.327 . 0 0 "[ . 1 . 2]" 2
788 1 70 ARG H 1 70 ARG QD 5.000 . 5.000 4.616 4.191 4.808 . 0 0 "[ . 1 . 2]" 2
789 1 70 ARG H 1 70 ARG QG 4.550 . 4.550 3.927 2.200 4.044 . 0 0 "[ . 1 . 2]" 2
790 1 70 ARG H 1 71 PRO QD 5.000 . 5.000 4.361 4.237 4.468 . 0 0 "[ . 1 . 2]" 2
791 1 70 ARG HA 1 71 PRO QD 3.860 . 3.860 2.052 2.015 2.096 . 0 0 "[ . 1 . 2]" 2
792 1 70 ARG H 1 136 LEU H 6.200 . 6.200 5.813 5.506 6.233 0.033 17 0 "[ . 1 . 2]" 2
793 1 70 ARG QD 1 72 GLN H . . 5.000 3.570 3.175 4.442 . 0 0 "[ . 1 . 2]" 2
794 1 70 ARG QG 1 72 GLN H 4.510 . 4.510 2.130 1.883 3.402 . 0 0 "[ . 1 . 2]" 2
795 1 70 ARG QG 1 73 GLY H 5.000 . 5.000 2.803 1.925 3.427 . 0 0 "[ . 1 . 2]" 2
796 1 70 ARG QD 1 73 GLY H 5.000 . 5.000 3.229 2.678 4.417 . 0 0 "[ . 1 . 2]" 2
797 1 70 ARG QB 1 73 GLY H 5.000 . 5.000 2.698 2.087 3.613 . 0 0 "[ . 1 . 2]" 2
798 1 70 ARG H 1 73 GLY H 5.000 . 5.000 4.330 4.049 4.908 . 0 0 "[ . 1 . 2]" 2
799 1 70 ARG QD 1 74 LYS H 5.000 . 5.000 2.959 2.485 3.828 . 0 0 "[ . 1 . 2]" 2
800 1 70 ARG QD 1 75 SER H 5.000 . 5.000 4.280 3.558 4.983 . 0 0 "[ . 1 . 2]" 2
801 1 71 PRO QB 1 72 GLN H . . 4.060 2.674 2.476 3.319 . 0 0 "[ . 1 . 2]" 2
802 1 71 PRO QD 1 72 GLN H 4.800 . 4.800 2.724 2.611 2.954 . 0 0 "[ . 1 . 2]" 2
803 1 71 PRO HA 1 72 GLN H 4.260 . 4.260 3.536 3.517 3.590 . 0 0 "[ . 1 . 2]" 2
804 1 71 PRO QG 1 72 GLN H 4.440 . 4.440 3.692 2.641 3.903 . 0 0 "[ . 1 . 2]" 2
805 1 71 PRO HA 1 73 GLY H 5.000 . 5.000 4.401 4.197 4.546 . 0 0 "[ . 1 . 2]" 2
806 1 72 GLN HA 1 102 PHE QD 8.500 . 8.500 6.653 4.709 8.375 . 0 0 "[ . 1 . 2]" 2
807 1 72 GLN H 1 72 GLN QG . . 4.150 2.611 2.062 3.395 . 0 0 "[ . 1 . 2]" 2
808 1 72 GLN HA 1 73 GLY H 5.000 . 5.000 3.528 3.391 3.566 . 0 0 "[ . 1 . 2]" 2
809 1 72 GLN QB 1 73 GLY H . . 4.560 2.720 2.608 3.752 . 0 0 "[ . 1 . 2]" 2
810 1 72 GLN H 1 73 GLY HA2 5.000 . 5.000 4.930 4.777 5.042 0.042 14 0 "[ . 1 . 2]" 2
811 1 72 GLN QB 1 74 LYS H 4.940 . 4.940 2.667 2.472 3.380 . 0 0 "[ . 1 . 2]" 2
812 1 72 GLN H 1 74 LYS H 5.130 . 5.130 4.477 3.963 5.175 0.045 14 0 "[ . 1 . 2]" 2
813 1 73 GLY H 1 74 LYS QG 5.000 . 5.000 4.494 4.156 4.818 . 0 0 "[ . 1 . 2]" 2
814 1 73 GLY HA2 1 74 LYS H 4.020 . 4.020 3.423 3.273 3.572 . 0 0 "[ . 1 . 2]" 2
815 1 73 GLY HA3 1 74 LYS H 4.200 . 4.200 3.175 2.626 3.374 . 0 0 "[ . 1 . 2]" 2
816 1 73 GLY H 1 74 LYS H 4.010 . 4.010 2.586 2.397 2.808 . 0 0 "[ . 1 . 2]" 2
817 1 73 GLY H 1 74 LYS HA 5.000 . 5.000 4.849 4.371 4.996 . 0 0 "[ . 1 . 2]" 2
818 1 74 LYS H 1 74 LYS QG 5.000 . 5.000 2.353 2.267 2.518 . 0 0 "[ . 1 . 2]" 2
819 1 74 LYS H 1 74 LYS QB 3.860 . 3.860 3.167 3.117 3.187 . 0 0 "[ . 1 . 2]" 2
820 1 74 LYS HA 1 74 LYS QD 5.020 . 5.020 4.433 4.257 4.492 . 0 0 "[ . 1 . 2]" 2
821 1 74 LYS QG 1 75 SER H 5.000 . 5.000 3.819 3.453 3.981 . 0 0 "[ . 1 . 2]" 2
822 1 74 LYS H 1 75 SER H 5.000 . 5.000 4.413 4.379 4.443 . 0 0 "[ . 1 . 2]" 2
823 1 74 LYS HA 1 75 SER H 3.640 . 3.640 2.307 2.228 2.420 . 0 0 "[ . 1 . 2]" 2
824 1 74 LYS QB 1 75 SER H 5.000 . 5.000 2.658 2.435 2.870 . 0 0 "[ . 1 . 2]" 2
825 1 74 LYS QE 1 76 TYR QE 7.000 . 7.000 5.284 3.680 6.109 . 0 0 "[ . 1 . 2]" 2
826 1 75 SER QB 1 77 LEU H 5.000 . 5.000 3.135 2.481 4.207 . 0 0 "[ . 1 . 2]" 2
827 1 75 SER H 1 99 LYS HA 5.000 . 5.000 4.798 4.269 5.097 0.097 20 0 "[ . 1 . 2]" 2
828 1 75 SER QB 1 133 LEU H 5.000 . 5.000 3.382 2.560 4.466 . 0 0 "[ . 1 . 2]" 2
829 1 75 SER H 1 134 SER QB 5.000 . 5.000 3.956 3.264 4.422 . 0 0 "[ . 1 . 2]" 2
830 1 75 SER HA 1 77 LEU H 5.000 . 5.000 3.672 3.380 4.329 . 0 0 "[ . 1 . 2]" 2
831 1 75 SER H 1 76 TYR H 5.000 . 5.000 4.320 3.969 4.591 . 0 0 "[ . 1 . 2]" 2
832 1 75 SER HA 1 76 TYR H 4.080 . 4.080 2.158 2.107 2.274 . 0 0 "[ . 1 . 2]" 2
833 1 75 SER H 1 77 LEU H 5.240 . 5.240 5.315 4.978 5.500 0.260 10 0 "[ . 1 . 2]" 2
834 1 75 SER QB 1 76 TYR H 5.000 . 5.000 3.306 2.641 3.924 . 0 0 "[ . 1 . 2]" 2
835 1 76 TYR H 1 76 TYR QD 4.360 . 4.360 4.169 2.348 4.339 . 0 0 "[ . 1 . 2]" 2
836 1 76 TYR QB 1 77 LEU H 5.000 . 5.000 3.428 2.735 4.013 . 0 0 "[ . 1 . 2]" 2
837 1 76 TYR HA 1 76 TYR QE 5.820 . 5.820 4.495 4.371 5.630 . 0 0 "[ . 1 . 2]" 2
838 1 76 TYR H 1 77 LEU H 4.500 . 4.500 2.468 1.971 3.284 . 0 0 "[ . 1 . 2]" 2
839 1 76 TYR H 1 77 LEU HG 5.000 . 5.000 3.705 2.988 5.180 0.180 7 0 "[ . 1 . 2]" 2
840 1 76 TYR H 1 76 TYR QE 6.650 . 6.650 6.177 3.854 6.369 . 0 0 "[ . 1 . 2]" 2
841 1 76 TYR HA 1 77 LEU H 4.140 . 4.140 3.237 2.594 3.499 . 0 0 "[ . 1 . 2]" 2
842 1 77 LEU MD2 1 79 PHE HZ 7.410 . 7.410 5.417 3.791 6.432 . 0 0 "[ . 1 . 2]" 2
843 1 77 LEU MD2 1 78 TYR H 5.000 . 5.000 3.535 2.991 4.448 . 0 0 "[ . 1 . 2]" 2
844 1 77 LEU QB 1 78 TYR H 4.210 . 4.210 2.784 2.685 2.942 . 0 0 "[ . 1 . 2]" 2
845 1 77 LEU H 1 77 LEU MD2 5.000 . 5.000 3.734 3.372 4.262 . 0 0 "[ . 1 . 2]" 2
846 1 77 LEU QB 1 77 LEU MD2 . . 3.170 2.196 2.067 2.293 . 0 0 "[ . 1 . 2]" 2
847 1 77 LEU MD1 1 78 TYR H 5.860 . 5.860 4.782 4.661 4.910 . 0 0 "[ . 1 . 2]" 2
848 1 77 LEU H 1 78 TYR H 5.000 . 5.000 4.583 4.487 4.653 . 0 0 "[ . 1 . 2]" 2
849 1 77 LEU HA 1 78 TYR H 3.540 . 3.540 2.234 2.179 2.287 . 0 0 "[ . 1 . 2]" 2
850 1 77 LEU H 1 77 LEU HG 3.770 . 3.770 2.648 2.097 3.538 . 0 0 "[ . 1 . 2]" 2
851 1 77 LEU H 1 77 LEU QB . . 3.860 2.455 2.246 2.681 . 0 0 "[ . 1 . 2]" 2
852 1 77 LEU H 1 77 LEU MD1 5.000 . 5.000 3.297 1.851 3.918 . 0 0 "[ . 1 . 2]" 2
853 1 77 LEU QB 1 79 PHE QE 5.000 . 5.000 2.978 2.293 3.847 . 0 0 "[ . 1 . 2]" 2
854 1 78 TYR H 1 78 TYR QB . . 3.900 2.324 2.272 2.380 . 0 0 "[ . 1 . 2]" 2
855 1 78 TYR H 1 78 TYR QD 5.000 . 5.000 4.227 4.194 4.257 . 0 0 "[ . 1 . 2]" 2
856 1 78 TYR HA 1 78 TYR QD 4.050 . 4.050 2.803 2.668 2.938 . 0 0 "[ . 1 . 2]" 2
857 1 78 TYR QB 1 79 PHE H 5.000 . 5.000 3.894 3.816 4.008 . 0 0 "[ . 1 . 2]" 2
858 1 78 TYR HA 1 79 PHE H 3.700 . 3.700 2.169 2.141 2.221 . 0 0 "[ . 1 . 2]" 2
859 1 78 TYR QE 1 131 ALA MB 4.500 . 4.500 2.490 1.952 2.739 . 0 0 "[ . 1 . 2]" 2
860 1 78 TYR QD 1 131 ALA MB 5.000 . 5.000 2.756 1.886 3.456 . 0 0 "[ . 1 . 2]" 2
861 1 78 TYR QD 1 79 PHE H 5.000 . 5.000 3.840 3.635 4.188 . 0 0 "[ . 1 . 2]" 2
862 1 78 TYR H 1 79 PHE H 5.000 . 5.000 4.357 4.054 4.502 . 0 0 "[ . 1 . 2]" 2
863 1 78 TYR QE 1 80 THR MG 6.000 . 6.000 2.469 1.886 3.435 . 0 0 "[ . 1 . 2]" 2
864 1 78 TYR QE 1 80 THR HA 5.800 . 5.800 3.090 2.606 3.871 . 0 0 "[ . 1 . 2]" 2
865 1 78 TYR QD 1 80 THR H 6.400 . 6.400 4.019 3.550 4.895 . 0 0 "[ . 1 . 2]" 2
866 1 78 TYR QD 1 80 THR HA 6.000 . 6.000 3.903 3.183 4.550 . 0 0 "[ . 1 . 2]" 2
867 1 78 TYR QD 1 80 THR MG 5.500 . 5.500 2.547 2.129 4.068 . 0 0 "[ . 1 . 2]" 2
868 1 79 PHE H 1 80 THR H 5.000 . 5.000 4.384 4.259 4.584 . 0 0 "[ . 1 . 2]" 2
869 1 79 PHE H 1 79 PHE QD . . 4.130 2.416 2.179 2.909 . 0 0 "[ . 1 . 2]" 2
870 1 79 PHE QB 1 80 THR H 5.000 . 5.000 3.394 3.000 3.578 . 0 0 "[ . 1 . 2]" 2
871 1 79 PHE HA 1 80 THR H 3.830 . 3.830 2.138 2.101 2.179 . 0 0 "[ . 1 . 2]" 2
872 1 79 PHE QD 1 80 THR H 5.000 . 5.000 4.196 3.838 4.434 . 0 0 "[ . 1 . 2]" 2
873 1 79 PHE HA 1 81 GLN H 4.310 . 4.310 3.672 3.542 3.808 . 0 0 "[ . 1 . 2]" 2
874 1 79 PHE HA 1 79 PHE QE 5.400 . 5.400 4.514 4.399 4.547 . 0 0 "[ . 1 . 2]" 2
875 1 79 PHE HA 1 79 PHE QD 3.970 . 3.970 2.855 2.442 3.052 . 0 0 "[ . 1 . 2]" 2
876 1 79 PHE H 1 131 ALA HA 5.000 . 5.000 3.219 2.604 4.200 . 0 0 "[ . 1 . 2]" 2
877 1 79 PHE QD 1 133 LEU MD2 5.500 . 5.500 3.627 3.137 4.665 . 0 0 "[ . 1 . 2]" 2
878 1 79 PHE QE 1 133 LEU QB 6.000 . 6.000 3.145 2.635 4.612 . 0 0 "[ . 1 . 2]" 2
879 1 79 PHE QE 1 133 LEU H 5.000 . 5.000 2.848 1.963 4.732 . 0 0 "[ . 1 . 2]" 2
880 1 79 PHE QD 1 133 LEU H 5.000 . 5.000 3.071 2.295 3.863 . 0 0 "[ . 1 . 2]" 2
881 1 79 PHE QD 1 133 LEU QB 5.000 . 5.000 3.244 2.799 4.108 . 0 0 "[ . 1 . 2]" 2
882 1 79 PHE QE 1 133 LEU MD2 5.500 . 5.500 3.636 2.630 5.009 . 0 0 "[ . 1 . 2]" 2
883 1 79 PHE QE 1 134 SER HA 6.200 . 6.200 5.111 4.143 5.794 . 0 0 "[ . 1 . 2]" 2
884 1 80 THR HA 1 80 THR MG 2.880 . 2.880 2.347 2.279 2.406 . 0 0 "[ . 1 . 2]" 2
885 1 80 THR HB 1 81 GLN H 4.370 . 4.370 3.745 2.600 4.012 . 0 0 "[ . 1 . 2]" 2
886 1 80 THR MG 1 81 GLN H 5.000 . 5.000 3.927 3.570 4.031 . 0 0 "[ . 1 . 2]" 2
887 1 80 THR HA 1 81 GLN H 4.050 . 4.050 3.528 3.484 3.550 . 0 0 "[ . 1 . 2]" 2
888 1 80 THR H 1 81 GLN H 3.410 . 3.410 2.366 2.086 2.565 . 0 0 "[ . 1 . 2]" 2
889 1 80 THR HA 1 81 GLN QB 5.000 . 5.000 4.689 4.593 4.819 . 0 0 "[ . 1 . 2]" 2
890 1 80 THR H 1 80 THR MG 4.410 . 4.410 2.507 2.213 3.722 . 0 0 "[ . 1 . 2]" 2
891 1 81 GLN QB 1 82 PHE H 4.260 . 4.260 2.635 2.501 2.753 . 0 0 "[ . 1 . 2]" 2
892 1 81 GLN H 1 82 PHE HA 4.780 . 4.780 4.833 4.765 4.877 0.097 16 0 "[ . 1 . 2]" 2
893 1 81 GLN HA 1 82 PHE H 3.340 . 3.340 2.286 2.234 2.351 . 0 0 "[ . 1 . 2]" 2
894 1 81 GLN QG 1 82 PHE H 4.370 . 4.370 3.808 3.692 4.137 . 0 0 "[ . 1 . 2]" 2
895 1 81 GLN HA 1 124 HIS H 5.000 . 5.000 5.095 4.913 5.329 0.329 9 0 "[ . 1 . 2]" 2
896 1 81 GLN H 1 81 GLN QG 4.080 . 4.080 2.545 2.433 2.645 . 0 0 "[ . 1 . 2]" 2
897 1 82 PHE H 1 124 HIS H 4.000 . 4.000 3.474 3.350 3.664 . 0 0 "[ . 1 . 2]" 2
898 1 82 PHE QE 1 124 HIS HA 5.000 . 5.000 3.603 3.196 5.002 0.002 17 0 "[ . 1 . 2]" 2
899 1 82 PHE HA 1 124 HIS H 5.300 . 5.300 5.398 5.015 5.500 0.200 7 0 "[ . 1 . 2]" 2
900 1 82 PHE QE 1 124 HIS H 5.000 . 5.000 4.244 3.788 5.083 0.083 17 0 "[ . 1 . 2]" 2
901 1 82 PHE QB 1 83 LYS H . . 4.000 2.632 2.462 3.722 . 0 0 "[ . 1 . 2]" 2
902 1 82 PHE QE 1 129 PHE QB 6.200 . 6.200 3.474 2.454 6.060 . 0 0 "[ . 1 . 2]" 2
903 1 82 PHE HA 1 83 LYS H 3.420 . 3.420 2.296 2.108 2.335 . 0 0 "[ . 1 . 2]" 2
904 1 82 PHE QB 1 133 LEU MD2 5.000 . 5.000 3.187 2.470 4.023 . 0 0 "[ . 1 . 2]" 2
905 1 83 LYS H 1 84 ALA MB 5.650 . 5.650 4.520 4.309 4.652 . 0 0 "[ . 1 . 2]" 2
906 1 83 LYS QB 1 84 ALA H 4.480 . 4.480 3.367 2.449 3.716 . 0 0 "[ . 1 . 2]" 2
907 1 83 LYS QG 1 84 ALA H 5.000 . 5.000 2.763 2.227 3.789 . 0 0 "[ . 1 . 2]" 2
908 1 83 LYS H 1 84 ALA H 5.000 . 5.000 4.264 4.166 4.365 . 0 0 "[ . 1 . 2]" 2
909 1 83 LYS HA 1 84 ALA MB 5.000 . 5.000 3.921 3.796 3.972 . 0 0 "[ . 1 . 2]" 2
910 1 83 LYS HA 1 84 ALA H 3.570 . 3.570 2.224 2.151 2.380 . 0 0 "[ . 1 . 2]" 2
911 1 83 LYS HA 1 83 LYS QD 5.000 . 5.000 3.911 2.064 4.473 . 0 0 "[ . 1 . 2]" 2
912 1 83 LYS QG 1 85 GLU H 5.000 . 5.000 4.098 3.660 4.889 . 0 0 "[ . 1 . 2]" 2
913 1 83 LYS H 1 83 LYS QG 5.000 . 5.000 3.747 2.536 4.233 . 0 0 "[ . 1 . 2]" 2
914 1 83 LYS HA 1 124 HIS H 5.000 . 5.000 4.032 3.850 4.261 . 0 0 "[ . 1 . 2]" 2
915 1 83 LYS H 1 136 LEU MD1 6.200 . 6.200 5.329 4.825 6.264 0.064 17 0 "[ . 1 . 2]" 2
916 1 84 ALA MB 1 85 GLU HA 5.000 . 5.000 4.094 3.877 4.197 . 0 0 "[ . 1 . 2]" 2
917 1 84 ALA H 1 121 ALA HA 5.000 . 5.000 4.930 4.503 5.090 0.090 20 0 "[ . 1 . 2]" 2
918 1 84 ALA H 1 122 VAL O 2.200 . 2.200 1.926 1.863 2.213 0.013 20 0 "[ . 1 . 2]" 2
919 1 84 ALA MB 1 122 VAL MG1 5.800 . 5.800 3.393 2.999 3.814 . 0 0 "[ . 1 . 2]" 2
920 1 84 ALA HA 1 138 ILE MD 5.000 . 5.000 4.315 3.950 4.999 . 0 0 "[ . 1 . 2]" 2
921 1 84 ALA MB 1 122 VAL H 5.000 . 5.000 3.614 3.046 3.933 . 0 0 "[ . 1 . 2]" 2
922 1 84 ALA H 1 122 VAL MG1 5.000 . 5.000 3.820 3.260 4.796 . 0 0 "[ . 1 . 2]" 2
923 1 84 ALA MB 1 138 ILE MD 4.670 . 4.670 2.099 1.795 2.849 0.005 16 0 "[ . 1 . 2]" 2
924 1 84 ALA H 1 122 VAL H 5.000 . 5.000 2.928 2.754 3.104 . 0 0 "[ . 1 . 2]" 2
925 1 84 ALA MB 1 85 GLU H 3.920 . 3.920 3.178 2.767 3.290 . 0 0 "[ . 1 . 2]" 2
926 1 84 ALA H 1 123 ALA HA 5.000 . 5.000 3.871 3.783 4.045 . 0 0 "[ . 1 . 2]" 2
927 1 84 ALA MB 1 136 LEU QD 6.200 . 6.200 3.329 2.887 3.915 . 0 0 "[ . 1 . 2]" 2
928 1 84 ALA H 1 136 LEU MD1 8.070 . 8.070 5.904 5.267 7.354 . 0 0 "[ . 1 . 2]" 2
929 1 84 ALA H 1 85 GLU HA 4.960 . 4.960 4.814 4.724 4.907 . 0 0 "[ . 1 . 2]" 2
930 1 84 ALA H 1 85 GLU H 5.000 . 5.000 4.165 4.060 4.353 . 0 0 "[ . 1 . 2]" 2
931 1 84 ALA HA 1 85 GLU H 3.490 . 3.490 2.128 2.102 2.223 . 0 0 "[ . 1 . 2]" 2
932 1 85 GLU H 1 85 GLU QG . . 4.630 3.656 2.094 4.159 . 0 0 "[ . 1 . 2]" 2
933 1 85 GLU HA 1 86 VAL H 3.370 . 3.370 2.199 2.150 2.314 . 0 0 "[ . 1 . 2]" 2
934 1 85 GLU QB 1 86 VAL H . . 4.140 3.442 2.653 3.733 . 0 0 "[ . 1 . 2]" 2
935 1 85 GLU H 1 86 VAL MG2 6.770 . 6.770 5.336 5.071 5.434 . 0 0 "[ . 1 . 2]" 2
936 1 85 GLU H 1 86 VAL MG1 5.630 . 5.630 3.986 3.712 4.169 . 0 0 "[ . 1 . 2]" 2
937 1 85 GLU QG 1 86 VAL H 4.280 . 4.280 2.891 2.465 4.095 . 0 0 "[ . 1 . 2]" 2
938 1 86 VAL HB 1 87 ARG H 3.910 . 3.910 2.616 2.485 2.824 . 0 0 "[ . 1 . 2]" 2
939 1 86 VAL HA 1 87 ARG H 3.420 . 3.420 2.304 2.228 2.365 . 0 0 "[ . 1 . 2]" 2
940 1 86 VAL H 1 122 VAL H 5.240 . 5.240 5.326 5.229 5.456 0.216 9 0 "[ . 1 . 2]" 2
941 1 86 VAL H 1 86 VAL MG1 3.620 . 3.620 2.870 2.794 2.942 . 0 0 "[ . 1 . 2]" 2
942 1 86 VAL MG2 1 87 ARG HA 5.090 . 5.090 3.865 3.754 3.971 . 0 0 "[ . 1 . 2]" 2
943 1 86 VAL HA 1 86 VAL MG1 3.580 . 3.580 2.326 2.273 2.401 . 0 0 "[ . 1 . 2]" 2
944 1 86 VAL MG2 1 87 ARG H 5.000 . 5.000 3.621 3.504 3.760 . 0 0 "[ . 1 . 2]" 2
945 1 86 VAL H 1 86 VAL HB 4.290 . 4.290 3.821 3.785 3.867 . 0 0 "[ . 1 . 2]" 2
946 1 86 VAL MG1 1 89 ALA H 6.800 . 6.800 5.796 5.466 6.185 . 0 0 "[ . 1 . 2]" 2
947 1 86 VAL MG1 1 89 ALA MB 7.770 . 7.770 4.761 4.273 5.200 . 0 0 "[ . 1 . 2]" 2
948 1 86 VAL HB 1 89 ALA H 5.000 . 5.000 4.567 4.182 5.042 0.042 7 0 "[ . 1 . 2]" 2
949 1 86 VAL MG1 1 87 ARG H 5.000 . 5.000 3.735 3.661 3.818 . 0 0 "[ . 1 . 2]" 2
950 1 86 VAL H 1 86 VAL MG2 4.020 . 4.020 2.096 2.001 2.267 . 0 0 "[ . 1 . 2]" 2
951 1 86 VAL H 1 120 THR HA 5.000 . 5.000 4.704 3.992 5.080 0.080 6 0 "[ . 1 . 2]" 2
952 1 86 VAL H 1 121 ALA MB 6.300 . 6.300 4.381 3.782 5.079 . 0 0 "[ . 1 . 2]" 2
953 1 86 VAL H 1 87 ARG HA 5.000 . 5.000 4.964 4.906 5.023 0.023 10 0 "[ . 1 . 2]" 2
954 1 87 ARG HA 1 87 ARG QG 3.680 . 3.680 2.623 2.229 2.955 . 0 0 "[ . 1 . 2]" 2
955 1 87 ARG H 1 88 GLY H 5.000 . 5.000 4.434 4.413 4.447 . 0 0 "[ . 1 . 2]" 2
956 1 87 ARG QB 1 88 GLY H . . 4.400 2.648 2.308 2.992 . 0 0 "[ . 1 . 2]" 2
957 1 87 ARG QG 1 88 GLY H 5.000 . 5.000 4.129 2.608 4.521 . 0 0 "[ . 1 . 2]" 2
958 1 87 ARG QB 1 88 GLY QA 5.000 . 5.000 3.611 3.498 3.684 . 0 0 "[ . 1 . 2]" 2
959 1 87 ARG QD 1 88 GLY H 5.000 . 5.000 3.715 2.830 4.540 . 0 0 "[ . 1 . 2]" 2
960 1 87 ARG HA 1 88 GLY H 3.670 . 3.670 2.276 2.190 2.360 . 0 0 "[ . 1 . 2]" 2
961 1 87 ARG HA 1 89 ALA H 4.100 . 4.100 3.140 3.037 3.310 . 0 0 "[ . 1 . 2]" 2
962 1 87 ARG QG 1 89 ALA H 6.280 . 6.280 5.348 4.588 5.632 . 0 0 "[ . 1 . 2]" 2
963 1 87 ARG H 1 87 ARG QG . . 3.880 3.068 2.782 4.154 0.274 14 0 "[ . 1 . 2]" 2
964 1 87 ARG H 1 87 ARG QD 5.720 . 5.720 4.253 3.559 4.942 . 0 0 "[ . 1 . 2]" 2
965 1 87 ARG H 1 89 ALA H 5.000 . 5.000 4.347 4.203 4.581 . 0 0 "[ . 1 . 2]" 2
966 1 87 ARG QB 1 89 ALA H 5.200 . 5.200 4.423 4.280 4.519 . 0 0 "[ . 1 . 2]" 2
967 1 88 GLY H 1 89 ALA MB 5.820 . 5.820 4.789 4.720 4.841 . 0 0 "[ . 1 . 2]" 2
968 1 88 GLY QA 1 89 ALA MB 5.090 . 5.090 3.729 3.619 3.775 . 0 0 "[ . 1 . 2]" 2
969 1 88 GLY QA 1 89 ALA H . . 4.010 2.948 2.940 2.963 . 0 0 "[ . 1 . 2]" 2
970 1 88 GLY H 1 89 ALA H 3.580 . 3.580 2.605 2.554 2.658 . 0 0 "[ . 1 . 2]" 2
971 1 88 GLY QA 1 89 ALA HA 5.000 . 5.000 4.138 4.099 4.161 . 0 0 "[ . 1 . 2]" 2
972 1 89 ALA MB 1 90 GLU H 3.740 . 3.740 2.424 2.218 2.536 . 0 0 "[ . 1 . 2]" 2
973 1 89 ALA HA 1 90 GLU H 3.630 . 3.630 2.380 2.318 2.508 . 0 0 "[ . 1 . 2]" 2
974 1 89 ALA H 1 89 ALA MB . . 3.610 2.742 2.649 2.800 . 0 0 "[ . 1 . 2]" 2
975 1 89 ALA HA 1 143 SER QB 5.000 . 5.000 4.019 3.040 5.134 0.134 11 0 "[ . 1 . 2]" 2
976 1 89 ALA H 1 143 SER H 5.000 . 5.000 4.912 4.466 5.105 0.105 7 0 "[ . 1 . 2]" 2
977 1 89 ALA H 1 90 GLU H 5.000 . 5.000 4.366 4.344 4.392 . 0 0 "[ . 1 . 2]" 2
978 1 90 GLU H 1 141 LYS H 3.960 . 3.960 3.182 2.841 3.519 . 0 0 "[ . 1 . 2]" 2
979 1 90 GLU H 1 91 ILE H 4.970 . 4.970 4.509 4.455 4.552 . 0 0 "[ . 1 . 2]" 2
980 1 90 GLU QG 1 91 ILE H 5.000 . 5.000 3.617 2.424 4.496 . 0 0 "[ . 1 . 2]" 2
981 1 90 GLU QB 1 141 LYS H 5.000 . 5.000 3.827 3.260 4.590 . 0 0 "[ . 1 . 2]" 2
982 1 90 GLU QB 1 91 ILE H 5.000 . 5.000 3.044 2.628 3.775 . 0 0 "[ . 1 . 2]" 2
983 1 90 GLU HA 1 91 ILE H 3.680 . 3.680 2.220 2.149 2.297 . 0 0 "[ . 1 . 2]" 2
984 1 90 GLU HA 1 91 ILE QG 5.000 . 5.000 3.543 3.390 4.139 . 0 0 "[ . 1 . 2]" 2
985 1 90 GLU H 1 90 GLU QG . . 4.540 3.106 1.948 4.057 . 0 0 "[ . 1 . 2]" 2
986 1 90 GLU H 1 90 GLU QB . . 3.720 2.482 2.328 2.892 . 0 0 "[ . 1 . 2]" 2
987 1 90 GLU H 1 142 ALA H 5.000 . 5.000 4.800 4.578 5.028 0.028 4 0 "[ . 1 . 2]" 2
988 1 90 GLU H 1 143 SER QB 6.370 . 6.370 4.794 3.377 6.338 . 0 0 "[ . 1 . 2]" 2
989 1 90 GLU H 1 143 SER H 5.000 . 5.000 4.062 3.349 4.992 . 0 0 "[ . 1 . 2]" 2
990 1 91 ILE HA 1 139 VAL H 5.000 . 5.000 4.899 4.766 5.036 0.036 6 0 "[ . 1 . 2]" 2
991 1 91 ILE MD 1 122 VAL H 5.000 . 5.000 3.942 3.145 5.001 0.001 18 0 "[ . 1 . 2]" 2
992 1 91 ILE H 1 140 ALA HA 5.000 . 5.000 4.691 4.438 4.948 . 0 0 "[ . 1 . 2]" 2
993 1 91 ILE H 1 140 ALA MB 5.400 . 5.400 3.745 3.302 4.315 . 0 0 "[ . 1 . 2]" 2
994 1 91 ILE MD 1 122 VAL MG2 5.000 . 5.000 2.451 1.817 3.666 . 0 0 "[ . 1 . 2]" 2
995 1 91 ILE MD 1 122 VAL HB 5.400 . 5.400 4.347 3.382 5.412 0.012 20 0 "[ . 1 . 2]" 2
996 1 91 ILE H 1 91 ILE MG 4.470 . 4.470 3.793 3.764 3.827 . 0 0 "[ . 1 . 2]" 2
997 1 91 ILE H 1 91 ILE QG . . 4.020 2.260 2.018 3.005 . 0 0 "[ . 1 . 2]" 2
998 1 91 ILE H 1 91 ILE HB . . 3.800 2.528 2.492 2.687 . 0 0 "[ . 1 . 2]" 2
999 1 91 ILE H 1 91 ILE MD 5.000 . 5.000 3.274 1.865 3.540 . 0 0 "[ . 1 . 2]" 2
1000 1 91 ILE HA 1 140 ALA H 5.000 . 5.000 4.684 4.273 5.126 0.126 17 0 "[ . 1 . 2]" 2
1001 1 91 ILE HB 1 91 ILE MD 3.410 . 3.410 2.433 2.138 3.262 . 0 0 "[ . 1 . 2]" 2
1002 1 91 ILE MD 1 91 ILE MG 3.590 . 3.590 2.092 1.874 3.183 . 0 0 "[ . 1 . 2]" 2
1003 1 91 ILE HA 1 141 LYS H 4.460 . 4.460 3.970 3.694 4.390 . 0 0 "[ . 1 . 2]" 2
1004 1 91 ILE HA 1 91 ILE MG 3.470 . 3.470 2.357 2.289 2.404 . 0 0 "[ . 1 . 2]" 2
1005 1 91 ILE MG 1 92 GLU H 4.020 . 4.020 2.843 2.746 2.985 . 0 0 "[ . 1 . 2]" 2
1006 1 91 ILE HA 1 92 GLU H 3.860 . 3.860 2.135 2.111 2.171 . 0 0 "[ . 1 . 2]" 2
1007 1 91 ILE H 1 92 GLU QG 5.000 . 5.000 4.754 4.628 4.890 . 0 0 "[ . 1 . 2]" 2
1008 1 91 ILE MG 1 92 GLU HA 5.000 . 5.000 3.957 3.837 4.172 . 0 0 "[ . 1 . 2]" 2
1009 1 91 ILE MG 1 93 TYR H 5.000 . 5.000 2.845 2.617 3.122 . 0 0 "[ . 1 . 2]" 2
1010 1 91 ILE HA 1 93 TYR H 4.180 . 4.180 3.749 3.593 3.946 . 0 0 "[ . 1 . 2]" 2
1011 1 91 ILE MG 1 94 ALA H 5.200 . 5.200 4.147 3.838 4.419 . 0 0 "[ . 1 . 2]" 2
1012 1 91 ILE MD 1 117 VAL MG1 5.800 . 5.800 3.818 2.861 5.333 . 0 0 "[ . 1 . 2]" 2
1013 1 91 ILE MD 1 118 THR H 5.200 . 5.200 4.321 3.762 5.378 0.178 17 0 "[ . 1 . 2]" 2
1014 1 92 GLU H 1 92 GLU QG 4.640 . 4.640 2.603 2.339 2.825 . 0 0 "[ . 1 . 2]" 2
1015 1 92 GLU H 1 140 ALA HA 3.990 . 3.990 2.462 2.261 2.819 . 0 0 "[ . 1 . 2]" 2
1016 1 92 GLU H 1 140 ALA MB 5.000 . 5.000 3.637 3.357 4.136 . 0 0 "[ . 1 . 2]" 2
1017 1 92 GLU H 1 139 VAL H 5.000 . 5.000 4.373 4.000 4.670 . 0 0 "[ . 1 . 2]" 2
1018 1 92 GLU QG 1 141 LYS QB 3.910 . 3.910 2.866 2.515 3.064 . 0 0 "[ . 1 . 2]" 2
1019 1 92 GLU QG 1 141 LYS H 4.830 . 4.830 2.620 2.351 3.120 . 0 0 "[ . 1 . 2]" 2
1020 1 92 GLU H 1 141 LYS H 4.460 . 4.460 3.874 3.475 4.357 . 0 0 "[ . 1 . 2]" 2
1021 1 92 GLU QB 1 93 TYR H . . 3.970 2.740 2.479 2.885 . 0 0 "[ . 1 . 2]" 2
1022 1 92 GLU QG 1 93 TYR H 5.000 . 5.000 4.084 3.941 4.158 . 0 0 "[ . 1 . 2]" 2
1023 1 92 GLU HA 1 93 TYR H 4.210 . 4.210 3.524 3.487 3.555 . 0 0 "[ . 1 . 2]" 2
1024 1 92 GLU H 1 139 VAL MG1 5.500 . 5.500 4.244 3.973 4.510 . 0 0 "[ . 1 . 2]" 2
1025 1 92 GLU H 1 140 ALA H 5.000 . 5.000 4.708 4.558 5.032 0.032 17 0 "[ . 1 . 2]" 2
1026 1 92 GLU QB 1 93 TYR QB 5.000 . 5.000 3.287 3.148 3.387 . 0 0 "[ . 1 . 2]" 2
1027 1 92 GLU H 1 93 TYR H 3.540 . 3.540 2.123 1.971 2.305 . 0 0 "[ . 1 . 2]" 2
1028 1 93 TYR QE 1 137 VAL HB 6.500 . 6.500 4.588 3.361 6.288 . 0 0 "[ . 1 . 2]" 2
1029 1 93 TYR QD 1 137 VAL HB 6.800 . 6.800 5.045 4.387 6.484 . 0 0 "[ . 1 . 2]" 2
1030 1 93 TYR QB 1 94 ALA H 4.260 . 4.260 3.692 3.597 3.764 . 0 0 "[ . 1 . 2]" 2
1031 1 93 TYR QE 1 137 VAL MG1 7.500 . 7.500 3.982 2.866 5.263 . 0 0 "[ . 1 . 2]" 2
1032 1 93 TYR H 1 94 ALA H 4.660 . 4.660 4.285 4.246 4.344 . 0 0 "[ . 1 . 2]" 2
1033 1 93 TYR QD 1 94 ALA H 5.000 . 5.000 3.437 3.282 3.580 . 0 0 "[ . 1 . 2]" 2
1034 1 93 TYR QD 1 94 ALA HA 5.000 . 5.000 3.733 3.484 3.999 . 0 0 "[ . 1 . 2]" 2
1035 1 93 TYR QE 1 95 MET QB . . 5.000 2.512 2.089 3.283 . 0 0 "[ . 1 . 2]" 2
1036 1 93 TYR QD 1 138 ILE HA 5.800 . 5.800 4.413 3.439 4.899 . 0 0 "[ . 1 . 2]" 2
1037 1 93 TYR H 1 140 ALA HA 4.480 . 4.480 4.116 3.910 4.360 . 0 0 "[ . 1 . 2]" 2
1038 1 93 TYR HA 1 93 TYR QD 4.050 . 4.050 2.710 2.638 2.780 . 0 0 "[ . 1 . 2]" 2
1039 1 93 TYR QB 1 139 VAL H 5.000 . 5.000 3.392 3.017 3.602 . 0 0 "[ . 1 . 2]" 2
1040 1 93 TYR H 1 139 VAL O 2.200 . 2.200 2.255 2.167 2.351 0.151 17 0 "[ . 1 . 2]" 2
1041 1 93 TYR QB 1 139 VAL HB 4.160 . 4.160 2.232 2.061 2.564 . 0 0 "[ . 1 . 2]" 2
1042 1 93 TYR QD 1 139 VAL MG2 6.000 . 6.000 2.999 2.529 3.684 . 0 0 "[ . 1 . 2]" 2
1043 1 93 TYR H 1 139 VAL QG 5.680 . 5.680 3.820 3.631 3.946 . 0 0 "[ . 1 . 2]" 2
1044 1 93 TYR H 1 139 VAL HB 4.140 . 4.140 3.199 2.857 3.387 . 0 0 "[ . 1 . 2]" 2
1045 1 93 TYR QD 1 139 VAL H 5.000 . 5.000 3.884 3.419 4.488 . 0 0 "[ . 1 . 2]" 2
1046 1 93 TYR H 1 139 VAL H 4.270 . 4.270 3.236 2.964 3.467 . 0 0 "[ . 1 . 2]" 2
1047 1 93 TYR QD 1 139 VAL HB 5.000 . 5.000 3.628 3.171 4.254 . 0 0 "[ . 1 . 2]" 2
1048 1 93 TYR QE 1 94 ALA HA 5.500 . 5.500 4.725 4.582 4.967 . 0 0 "[ . 1 . 2]" 2
1049 1 93 TYR QD 1 137 VAL MG1 7.500 . 7.500 3.713 3.173 4.316 . 0 0 "[ . 1 . 2]" 2
1050 1 93 TYR QE 1 94 ALA H 5.000 . 5.000 4.287 4.077 4.489 . 0 0 "[ . 1 . 2]" 2
1051 1 93 TYR HA 1 94 ALA H 3.420 . 3.420 2.172 2.138 2.207 . 0 0 "[ . 1 . 2]" 2
1052 1 93 TYR O 1 139 VAL H 2.200 . 2.200 1.873 1.795 1.926 0.005 20 0 "[ . 1 . 2]" 2
1053 1 94 ALA HA 1 95 MET H 3.290 . 3.290 2.215 2.166 2.280 . 0 0 "[ . 1 . 2]" 2
1054 1 94 ALA MB 1 95 MET H 3.920 . 3.920 2.925 2.794 3.129 . 0 0 "[ . 1 . 2]" 2
1055 1 94 ALA HA 1 139 VAL H 4.350 . 4.350 3.568 3.356 3.824 . 0 0 "[ . 1 . 2]" 2
1056 1 94 ALA HA 1 138 ILE H 5.000 . 5.000 4.967 4.712 5.056 0.056 10 0 "[ . 1 . 2]" 2
1057 1 94 ALA HA 1 138 ILE QG 5.000 . 5.000 3.249 2.893 4.585 . 0 0 "[ . 1 . 2]" 2
1058 1 94 ALA H 1 139 VAL H 5.000 . 5.000 4.959 4.817 5.025 0.025 9 0 "[ . 1 . 2]" 2
1059 1 94 ALA HA 1 95 MET QB 5.000 . 5.000 4.010 3.806 4.362 . 0 0 "[ . 1 . 2]" 2
1060 1 94 ALA H 1 138 ILE HA 5.000 . 5.000 4.990 4.610 5.071 0.071 1 0 "[ . 1 . 2]" 2
1061 1 94 ALA H 1 95 MET HA 5.000 . 5.000 4.918 4.840 4.996 . 0 0 "[ . 1 . 2]" 2
1062 1 94 ALA H 1 95 MET H 4.970 . 4.970 4.320 4.242 4.374 . 0 0 "[ . 1 . 2]" 2
1063 1 94 ALA MB 1 139 VAL H 5.000 . 5.000 4.143 3.823 4.352 . 0 0 "[ . 1 . 2]" 2
1064 1 94 ALA MB 1 117 VAL MG1 5.000 . 5.000 2.169 1.887 2.842 . 0 0 "[ . 1 . 2]" 2
1065 1 94 ALA MB 1 122 VAL MG2 5.000 . 5.000 2.634 2.052 3.590 . 0 0 "[ . 1 . 2]" 2
1066 1 95 MET H 1 137 VAL H 3.940 . 3.940 3.054 2.859 3.242 . 0 0 "[ . 1 . 2]" 2
1067 1 95 MET H 1 137 VAL O 2.200 . 2.200 2.143 1.983 2.279 0.079 3 0 "[ . 1 . 2]" 2
1068 1 95 MET H 1 137 VAL MG2 6.010 . 6.010 4.814 4.464 5.094 . 0 0 "[ . 1 . 2]" 2
1069 1 95 MET H 1 96 ALA HA 5.000 . 5.000 4.796 4.731 4.848 . 0 0 "[ . 1 . 2]" 2
1070 1 95 MET HA 1 96 ALA H 3.430 . 3.430 2.240 2.181 2.370 . 0 0 "[ . 1 . 2]" 2
1071 1 95 MET QB 1 96 ALA H . . 4.280 3.471 2.352 3.612 . 0 0 "[ . 1 . 2]" 2
1072 1 95 MET H 1 96 ALA H 5.000 . 5.000 4.335 4.279 4.391 . 0 0 "[ . 1 . 2]" 2
1073 1 95 MET QG 1 96 ALA H 4.130 . 4.130 2.435 2.125 3.561 . 0 0 "[ . 1 . 2]" 2
1074 1 95 MET HA 1 96 ALA MB 4.760 . 4.760 3.881 3.791 3.943 . 0 0 "[ . 1 . 2]" 2
1075 1 95 MET H 1 138 ILE HA 4.250 . 4.250 3.837 3.556 4.125 . 0 0 "[ . 1 . 2]" 2
1076 1 95 MET H 1 95 MET QG . . 5.000 4.117 2.521 4.265 . 0 0 "[ . 1 . 2]" 2
1077 1 95 MET H 1 136 LEU MD2 5.800 . 5.800 4.573 4.018 5.869 0.069 15 0 "[ . 1 . 2]" 2
1078 1 95 MET O 1 137 VAL H 2.200 . 2.200 2.026 1.875 2.254 0.054 3 0 "[ . 1 . 2]" 2
1079 1 96 ALA HA 1 110 LEU H 5.000 . 5.000 5.018 4.908 5.085 0.085 7 0 "[ . 1 . 2]" 2
1080 1 96 ALA H 1 110 LEU H 5.620 . 5.620 3.755 3.399 4.001 . 0 0 "[ . 1 . 2]" 2
1081 1 96 ALA MB 1 110 LEU HG 5.000 . 5.000 3.415 2.097 3.833 . 0 0 "[ . 1 . 2]" 2
1082 1 96 ALA HA 1 136 LEU H 5.000 . 5.000 4.976 4.876 5.077 0.077 6 0 "[ . 1 . 2]" 2
1083 1 96 ALA MB 1 122 VAL MG1 7.500 . 7.500 4.954 4.322 6.171 . 0 0 "[ . 1 . 2]" 2
1084 1 96 ALA H 1 136 LEU HA 5.000 . 5.000 5.045 4.940 5.131 0.131 6 0 "[ . 1 . 2]" 2
1085 1 96 ALA HA 1 133 LEU MD1 5.000 . 5.000 4.242 3.797 5.098 0.098 16 0 "[ . 1 . 2]" 2
1086 1 96 ALA MB 1 110 LEU MD2 6.000 . 6.000 3.947 2.256 4.335 . 0 0 "[ . 1 . 2]" 2
1087 1 96 ALA MB 1 110 LEU MD1 5.000 . 5.000 2.072 1.787 4.058 0.013 7 0 "[ . 1 . 2]" 2
1088 1 96 ALA H 1 110 LEU MD1 5.500 . 5.500 4.254 3.718 5.563 0.063 20 0 "[ . 1 . 2]" 2
1089 1 96 ALA H 1 110 LEU HG 5.000 . 5.000 5.034 4.445 5.150 0.150 18 0 "[ . 1 . 2]" 2
1090 1 96 ALA MB 1 110 LEU H 5.000 . 5.000 3.883 3.474 4.267 . 0 0 "[ . 1 . 2]" 2
1091 1 96 ALA H 1 115 PHE QE 5.000 . 5.000 3.791 3.106 4.298 . 0 0 "[ . 1 . 2]" 2
1092 1 96 ALA MB 1 115 PHE QD 5.500 . 5.500 3.829 3.034 4.702 . 0 0 "[ . 1 . 2]" 2
1093 1 96 ALA MB 1 115 PHE QE 6.000 . 6.000 3.822 3.216 4.700 . 0 0 "[ . 1 . 2]" 2
1094 1 96 ALA H 1 115 PHE HZ 5.000 . 5.000 3.894 3.352 4.739 . 0 0 "[ . 1 . 2]" 2
1095 1 96 ALA HA 1 135 LYS H 5.000 . 5.000 4.686 4.334 5.023 0.023 17 0 "[ . 1 . 2]" 2
1096 1 96 ALA H 1 97 TYR H 5.000 . 5.000 4.417 4.360 4.474 . 0 0 "[ . 1 . 2]" 2
1097 1 96 ALA MB 1 137 VAL H 5.400 . 5.400 4.399 3.730 5.183 . 0 0 "[ . 1 . 2]" 2
1098 1 96 ALA HA 1 97 TYR H 3.690 . 3.690 2.269 2.189 2.363 . 0 0 "[ . 1 . 2]" 2
1099 1 96 ALA HA 1 97 TYR QD 5.000 . 5.000 3.381 3.220 3.848 . 0 0 "[ . 1 . 2]" 2
1100 1 96 ALA MB 1 97 TYR H 3.930 . 3.930 2.766 2.552 2.957 . 0 0 "[ . 1 . 2]" 2
1101 1 96 ALA HA 1 137 VAL H 4.410 . 4.410 3.652 3.389 4.054 . 0 0 "[ . 1 . 2]" 2
1102 1 97 TYR HA 1 110 LEU H 3.850 . 3.850 2.682 2.537 2.918 . 0 0 "[ . 1 . 2]" 2
1103 1 97 TYR QD 1 110 LEU H 5.000 . 5.000 4.244 3.575 4.566 . 0 0 "[ . 1 . 2]" 2
1104 1 97 TYR QB 1 110 LEU H 5.500 . 5.500 4.690 4.551 4.854 . 0 0 "[ . 1 . 2]" 2
1105 1 97 TYR H 1 110 LEU MD2 7.190 . 7.190 5.257 3.031 5.808 . 0 0 "[ . 1 . 2]" 2
1106 1 97 TYR QD 1 135 LYS QG 6.500 . 6.500 3.145 1.889 4.670 . 0 0 "[ . 1 . 2]" 2
1107 1 97 TYR H 1 135 LYS H 4.400 . 4.400 2.989 2.704 3.263 . 0 0 "[ . 1 . 2]" 2
1108 1 97 TYR QB 1 135 LYS H 5.000 . 5.000 3.084 2.559 3.578 . 0 0 "[ . 1 . 2]" 2
1109 1 97 TYR H 1 135 LYS O 2.460 . 2.460 2.097 1.837 2.427 . 0 0 "[ . 1 . 2]" 2
1110 1 97 TYR HA 1 97 TYR QE 5.000 . 5.000 4.572 4.479 4.639 . 0 0 "[ . 1 . 2]" 2
1111 1 97 TYR H 1 97 TYR QD 4.140 . 4.140 2.742 2.512 3.047 . 0 0 "[ . 1 . 2]" 2
1112 1 97 TYR H 1 135 LYS QB 5.230 . 5.230 3.614 2.671 4.948 . 0 0 "[ . 1 . 2]" 2
1113 1 97 TYR QB 1 98 SER H 5.000 . 5.000 3.139 2.841 3.374 . 0 0 "[ . 1 . 2]" 2
1114 1 97 TYR H 1 136 LEU MD2 5.000 . 5.000 3.726 3.010 5.046 0.046 19 0 "[ . 1 . 2]" 2
1115 1 97 TYR QD 1 98 SER H 5.000 . 5.000 4.054 3.845 4.188 . 0 0 "[ . 1 . 2]" 2
1116 1 97 TYR HA 1 98 SER H 4.480 . 4.480 2.168 2.117 2.230 . 0 0 "[ . 1 . 2]" 2
1117 1 97 TYR QD 1 99 LYS H 5.290 . 5.290 4.494 4.278 4.959 . 0 0 "[ . 1 . 2]" 2
1118 1 97 TYR HA 1 99 LYS H 4.720 . 4.720 3.945 3.855 4.097 . 0 0 "[ . 1 . 2]" 2
1119 1 97 TYR QE 1 107 ASP QB 5.500 . 5.500 4.139 3.119 5.376 . 0 0 "[ . 1 . 2]" 2
1120 1 97 TYR H 1 133 LEU MD1 5.000 . 5.000 3.843 3.327 4.624 . 0 0 "[ . 1 . 2]" 2
1121 1 97 TYR QE 1 109 PRO HA 5.000 . 5.000 3.589 3.413 4.140 . 0 0 "[ . 1 . 2]" 2
1122 1 97 TYR QE 1 109 PRO QD 6.500 . 6.500 3.569 3.011 4.435 . 0 0 "[ . 1 . 2]" 2
1123 1 97 TYR QD 1 109 PRO QD 6.000 . 6.000 3.309 3.026 3.846 . 0 0 "[ . 1 . 2]" 2
1124 1 97 TYR QD 1 109 PRO QG 6.500 . 6.500 4.035 2.531 4.744 . 0 0 "[ . 1 . 2]" 2
1125 1 97 TYR QD 1 109 PRO HA 4.000 . 4.000 2.242 1.947 2.729 . 0 0 "[ . 1 . 2]" 2
1126 1 97 TYR QD 1 109 PRO QB 5.000 . 5.000 2.860 2.029 3.365 . 0 0 "[ . 1 . 2]" 2
1127 1 97 TYR QE 1 109 PRO QG 6.000 . 6.000 3.486 1.927 4.679 . 0 0 "[ . 1 . 2]" 2
1128 1 97 TYR QE 1 137 VAL MG2 5.500 . 5.500 3.109 2.353 4.844 . 0 0 "[ . 1 . 2]" 2
1129 1 97 TYR QE 1 137 VAL HB 5.500 . 5.500 3.711 2.654 4.538 . 0 0 "[ . 1 . 2]" 2
1130 1 97 TYR H 1 97 TYR QE 5.610 . 5.610 4.761 4.593 4.886 . 0 0 "[ . 1 . 2]" 2
1131 1 97 TYR QE 1 137 VAL H 6.500 . 6.500 4.638 3.212 5.634 . 0 0 "[ . 1 . 2]" 2
1132 1 97 TYR QE 1 137 VAL MG1 7.000 . 7.000 4.291 2.134 4.996 . 0 0 "[ . 1 . 2]" 2
1133 1 97 TYR QD 1 137 VAL HB 6.500 . 6.500 5.138 4.422 5.627 . 0 0 "[ . 1 . 2]" 2
1134 1 97 TYR QB 1 97 TYR QE 4.570 . 4.570 3.962 3.954 3.976 . 0 0 "[ . 1 . 2]" 2
1135 1 97 TYR QD 1 137 VAL MG2 6.500 . 6.500 4.012 3.305 6.125 . 0 0 "[ . 1 . 2]" 2
1136 1 98 SER H 1 99 LYS H 4.270 . 4.270 2.564 2.210 2.694 . 0 0 "[ . 1 . 2]" 2
1137 1 98 SER HA 1 99 LYS H 4.900 . 4.900 3.531 3.506 3.550 . 0 0 "[ . 1 . 2]" 2
1138 1 98 SER H 1 109 PRO HA 4.220 . 4.220 3.254 2.818 3.519 . 0 0 "[ . 1 . 2]" 2
1139 1 98 SER H 1 99 LYS QB 5.500 . 5.500 4.829 4.516 5.364 . 0 0 "[ . 1 . 2]" 2
1140 1 98 SER HA 1 100 ALA H 6.570 . 6.570 6.486 6.301 6.636 0.066 10 0 "[ . 1 . 2]" 2
1141 1 98 SER HA 1 133 LEU MD1 6.000 . 6.000 4.651 3.423 5.419 . 0 0 "[ . 1 . 2]" 2
1142 1 98 SER H 1 110 LEU MD2 5.000 . 5.000 3.145 2.092 3.470 . 0 0 "[ . 1 . 2]" 2
1143 1 98 SER H 1 108 VAL HB 4.690 . 4.690 3.832 3.460 4.535 . 0 0 "[ . 1 . 2]" 2
1144 1 98 SER H 1 108 VAL H 5.000 . 5.000 4.655 4.165 5.113 0.113 17 0 "[ . 1 . 2]" 2
1145 1 98 SER H 1 110 LEU MD1 5.500 . 5.500 3.740 3.334 4.332 . 0 0 "[ . 1 . 2]" 2
1146 1 98 SER QB 1 99 LYS H 5.000 . 5.000 2.954 2.398 3.561 . 0 0 "[ . 1 . 2]" 2
1147 1 98 SER HA 1 134 SER H 5.000 . 5.000 3.934 3.342 4.716 . 0 0 "[ . 1 . 2]" 2
1148 1 99 LYS H 1 109 PRO HA 5.000 . 5.000 4.824 4.320 5.051 0.051 10 0 "[ . 1 . 2]" 2
1149 1 99 LYS QB 1 100 ALA H 5.000 . 5.000 3.397 2.671 3.777 . 0 0 "[ . 1 . 2]" 2
1150 1 99 LYS H 1 100 ALA H 5.000 . 5.000 4.285 4.141 4.420 . 0 0 "[ . 1 . 2]" 2
1151 1 99 LYS QB 1 99 LYS QD 3.070 . 3.070 2.203 2.127 2.283 . 0 0 "[ . 1 . 2]" 2
1152 1 99 LYS HA 1 100 ALA H 4.480 . 4.480 2.196 2.144 2.268 . 0 0 "[ . 1 . 2]" 2
1153 1 99 LYS QG 1 100 ALA H 5.000 . 5.000 2.989 2.377 3.898 . 0 0 "[ . 1 . 2]" 2
1154 1 99 LYS HA 1 100 ALA MB 5.000 . 5.000 3.965 3.884 3.998 . 0 0 "[ . 1 . 2]" 2
1155 1 99 LYS HA 1 99 LYS QE 5.160 . 5.160 4.432 3.860 5.009 . 0 0 "[ . 1 . 2]" 2
1156 1 99 LYS QB 1 108 VAL H 4.280 . 4.280 3.275 2.739 4.336 0.056 10 0 "[ . 1 . 2]" 2
1157 1 99 LYS H 1 108 VAL MG2 5.500 . 5.500 4.009 3.726 4.353 . 0 0 "[ . 1 . 2]" 2
1158 1 99 LYS H 1 108 VAL MG1 5.000 . 5.000 3.756 3.335 4.049 . 0 0 "[ . 1 . 2]" 2
1159 1 99 LYS H 1 108 VAL H 4.210 . 4.210 3.125 2.863 3.472 . 0 0 "[ . 1 . 2]" 2
1160 1 99 LYS H 1 108 VAL HB 3.900 . 3.900 2.539 2.109 2.880 . 0 0 "[ . 1 . 2]" 2
1161 1 100 ALA HA 1 101 ALA H 4.000 . 4.000 2.231 2.165 2.293 . 0 0 "[ . 1 . 2]" 2
1162 1 100 ALA MB 1 101 ALA H 4.250 . 4.250 2.812 2.624 3.036 . 0 0 "[ . 1 . 2]" 2
1163 1 100 ALA HA 1 101 ALA MB 5.000 . 5.000 4.032 3.982 4.106 . 0 0 "[ . 1 . 2]" 2
1164 1 100 ALA H 1 108 VAL H 5.000 . 5.000 5.043 4.945 5.122 0.122 12 0 "[ . 1 . 2]" 2
1165 1 100 ALA MB 1 108 VAL H 6.810 . 6.810 5.315 5.095 5.564 . 0 0 "[ . 1 . 2]" 2
1166 1 100 ALA H 1 108 VAL HB 6.020 . 6.020 5.851 5.391 6.113 0.093 10 0 "[ . 1 . 2]" 2
1167 1 101 ALA MB 1 107 ASP H 5.000 . 5.000 2.501 2.205 2.862 . 0 0 "[ . 1 . 2]" 2
1168 1 101 ALA H 1 107 ASP H 4.670 . 4.670 4.450 3.780 4.757 0.087 4 0 "[ . 1 . 2]" 2
1169 1 101 ALA MB 1 102 PHE HA 5.000 . 5.000 4.120 4.065 4.189 . 0 0 "[ . 1 . 2]" 2
1170 1 101 ALA HA 1 102 PHE H 3.770 . 3.770 2.154 2.112 2.198 . 0 0 "[ . 1 . 2]" 2
1171 1 101 ALA MB 1 102 PHE H 4.300 . 4.300 2.995 2.888 3.123 . 0 0 "[ . 1 . 2]" 2
1172 1 101 ALA H 1 108 VAL H 5.000 . 5.000 4.716 4.436 5.019 0.019 18 0 "[ . 1 . 2]" 2
1173 1 101 ALA H 1 102 PHE H 4.860 . 4.860 4.584 4.531 4.618 . 0 0 "[ . 1 . 2]" 2
1174 1 101 ALA HA 1 108 VAL H 6.000 . 6.000 5.115 4.722 5.508 . 0 0 "[ . 1 . 2]" 2
1175 1 101 ALA MB 1 105 GLU H 6.500 . 6.500 4.255 3.434 4.770 . 0 0 "[ . 1 . 2]" 2
1176 1 101 ALA HA 1 105 GLU H 5.000 . 5.000 5.100 4.798 5.328 0.328 16 0 "[ . 1 . 2]" 2
1177 1 101 ALA MB 1 106 SER H 6.000 . 6.000 4.436 4.158 4.599 . 0 0 "[ . 1 . 2]" 2
1178 1 101 ALA H 1 107 ASP QB . . 4.950 2.370 1.908 3.893 . 0 0 "[ . 1 . 2]" 2
1179 1 101 ALA H 1 107 ASP HA 3.720 . 3.720 3.240 2.886 3.607 . 0 0 "[ . 1 . 2]" 2
1180 1 102 PHE QB 1 103 GLU H 5.000 . 5.000 3.835 3.565 3.938 . 0 0 "[ . 1 . 2]" 2
1181 1 102 PHE QD 1 103 GLU H 5.000 . 5.000 3.751 3.614 3.951 . 0 0 "[ . 1 . 2]" 2
1182 1 102 PHE QD 1 103 GLU QG 5.000 . 5.000 3.341 2.192 4.573 . 0 0 "[ . 1 . 2]" 2
1183 1 102 PHE QD 1 103 GLU QB 6.000 . 6.000 3.089 2.423 4.782 . 0 0 "[ . 1 . 2]" 2
1184 1 102 PHE HA 1 103 GLU H 4.080 . 4.080 2.153 2.119 2.175 . 0 0 "[ . 1 . 2]" 2
1185 1 102 PHE QB 1 105 GLU H 4.630 . 4.630 3.994 3.857 4.345 . 0 0 "[ . 1 . 2]" 2
1186 1 102 PHE H 1 105 GLU H 4.050 . 4.050 3.573 3.422 3.751 . 0 0 "[ . 1 . 2]" 2
1187 1 102 PHE H 1 106 SER H 5.170 . 5.170 5.160 4.911 5.276 0.106 10 0 "[ . 1 . 2]" 2
1188 1 103 GLU QB 1 104 ARG H 5.000 . 5.000 1.939 1.838 1.970 . 0 0 "[ . 1 . 2]" 2
1189 1 103 GLU QG 1 104 ARG H 5.000 . 5.000 3.744 2.113 3.977 . 0 0 "[ . 1 . 2]" 2
1190 1 103 GLU HA 1 104 ARG H 5.000 . 5.000 3.492 3.482 3.507 . 0 0 "[ . 1 . 2]" 2
1191 1 103 GLU HA 1 105 GLU H 5.000 . 5.000 4.677 4.510 4.920 . 0 0 "[ . 1 . 2]" 2
1192 1 103 GLU H 1 103 GLU QG . . 4.820 2.892 2.591 4.321 . 0 0 "[ . 1 . 2]" 2
1193 1 104 ARG H 1 104 ARG QG 4.660 . 4.660 2.842 1.908 4.120 . 0 0 "[ . 1 . 2]" 2
1194 1 104 ARG H 1 105 GLU QB 5.000 . 5.000 4.469 4.223 4.712 . 0 0 "[ . 1 . 2]" 2
1195 1 104 ARG H 1 105 GLU QG 5.250 . 5.250 3.735 3.011 4.847 . 0 0 "[ . 1 . 2]" 2
1196 1 104 ARG HA 1 105 GLU H 4.520 . 4.520 3.328 2.744 3.553 . 0 0 "[ . 1 . 2]" 2
1197 1 104 ARG QB 1 105 GLU H 4.880 . 4.880 3.522 2.700 4.004 . 0 0 "[ . 1 . 2]" 2
1198 1 104 ARG H 1 105 GLU HA 5.160 . 5.160 4.877 4.668 5.228 0.068 1 0 "[ . 1 . 2]" 2
1199 1 104 ARG QG 1 105 GLU H 5.000 . 5.000 3.855 2.884 4.803 . 0 0 "[ . 1 . 2]" 2
1200 1 105 GLU H 1 105 GLU QG . . 4.340 2.473 2.097 3.456 . 0 0 "[ . 1 . 2]" 2
1201 1 105 GLU QB 1 106 SER H 4.460 . 4.460 2.921 2.776 3.047 . 0 0 "[ . 1 . 2]" 2
1202 1 105 GLU HA 1 106 SER H 3.560 . 3.560 2.185 2.140 2.239 . 0 0 "[ . 1 . 2]" 2
1203 1 105 GLU HA 1 106 SER QB 5.000 . 5.000 4.149 4.051 4.279 . 0 0 "[ . 1 . 2]" 2
1204 1 105 GLU QG 1 106 SER H 5.000 . 5.000 4.023 3.713 4.465 . 0 0 "[ . 1 . 2]" 2
1205 1 106 SER HA 1 107 ASP H 4.040 . 4.040 2.265 2.170 2.419 . 0 0 "[ . 1 . 2]" 2
1206 1 106 SER QB 1 107 ASP H 4.680 . 4.680 3.202 2.394 3.639 . 0 0 "[ . 1 . 2]" 2
1207 1 107 ASP QB 1 108 VAL H . . 4.460 2.645 2.463 3.700 . 0 0 "[ . 1 . 2]" 2
1208 1 107 ASP HA 1 108 VAL H 4.120 . 4.120 2.386 2.223 2.456 . 0 0 "[ . 1 . 2]" 2
1209 1 107 ASP HA 1 108 VAL MG1 6.660 . 6.660 5.473 5.440 5.497 . 0 0 "[ . 1 . 2]" 2
1210 1 107 ASP HA 1 108 VAL MG2 5.000 . 5.000 3.330 3.244 3.482 . 0 0 "[ . 1 . 2]" 2
1211 1 108 VAL H 1 109 PRO QD 5.000 . 5.000 3.866 3.511 4.103 . 0 0 "[ . 1 . 2]" 2
1212 1 108 VAL H 1 108 VAL MG1 4.790 . 4.790 3.873 3.840 3.929 . 0 0 "[ . 1 . 2]" 2
1213 1 108 VAL H 1 108 VAL MG2 . . 4.730 2.644 2.475 2.787 . 0 0 "[ . 1 . 2]" 2
1214 1 108 VAL HA 1 109 PRO QD 3.700 . 3.700 2.113 2.086 2.184 . 0 0 "[ . 1 . 2]" 2
1215 1 109 PRO HA 1 110 LEU H 4.370 . 4.370 2.289 2.236 2.348 . 0 0 "[ . 1 . 2]" 2
1216 1 109 PRO QB 1 110 LEU H 5.000 . 5.000 2.886 2.704 3.102 . 0 0 "[ . 1 . 2]" 2
1217 1 110 LEU HA 1 110 LEU MD2 4.680 . 4.680 2.094 2.031 2.410 . 0 0 "[ . 1 . 2]" 2
1218 1 110 LEU H 1 110 LEU HG . . 4.880 2.774 2.492 4.254 . 0 0 "[ . 1 . 2]" 2
1219 1 110 LEU MD1 1 111 LYS H 6.000 . 6.000 4.595 2.423 4.923 . 0 0 "[ . 1 . 2]" 2
1220 1 110 LEU QB 1 111 LYS H 5.000 . 5.000 2.858 2.721 3.185 . 0 0 "[ . 1 . 2]" 2
1221 1 110 LEU MD2 1 111 LYS H 5.000 . 5.000 3.342 3.150 4.285 . 0 0 "[ . 1 . 2]" 2
1222 1 110 LEU HA 1 111 LYS H 4.300 . 4.300 2.214 2.169 2.248 . 0 0 "[ . 1 . 2]" 2
1223 1 110 LEU QB 1 114 GLU H 5.000 . 5.000 4.789 4.430 5.056 0.056 20 0 "[ . 1 . 2]" 2
1224 1 110 LEU MD1 1 115 PHE QB 6.000 . 6.000 4.219 3.804 4.640 . 0 0 "[ . 1 . 2]" 2
1225 1 110 LEU QB 1 115 PHE QE 5.000 . 5.000 2.621 2.155 3.111 . 0 0 "[ . 1 . 2]" 2
1226 1 110 LEU QB 1 115 PHE QD . . 5.000 2.853 2.458 3.251 . 0 0 "[ . 1 . 2]" 2
1227 1 110 LEU MD2 1 132 GLU H 5.500 . 5.500 4.455 3.766 5.415 . 0 0 "[ . 1 . 2]" 2
1228 1 110 LEU H 1 110 LEU MD2 5.000 . 5.000 3.650 2.564 3.877 . 0 0 "[ . 1 . 2]" 2
1229 1 110 LEU HA 1 110 LEU MD1 4.660 . 4.660 3.657 2.033 3.873 . 0 0 "[ . 1 . 2]" 2
1230 1 110 LEU H 1 110 LEU MD1 . . 4.990 3.703 3.602 4.081 . 0 0 "[ . 1 . 2]" 2
1231 1 111 LYS QB 1 112 THR H 4.510 . 4.510 3.302 2.072 3.740 . 0 0 "[ . 1 . 2]" 2
1232 1 111 LYS QG 1 112 THR H 5.000 . 5.000 2.575 1.937 4.427 . 0 0 "[ . 1 . 2]" 2
1233 1 111 LYS H 1 113 GLU H 5.470 . 5.470 5.337 4.814 5.576 0.106 7 0 "[ . 1 . 2]" 2
1234 1 111 LYS QG 1 113 GLU H . . 4.920 2.186 1.827 4.319 . 0 0 "[ . 1 . 2]" 2
1235 1 111 LYS HA 1 113 GLU H 4.500 . 4.500 4.176 3.871 4.570 0.070 11 0 "[ . 1 . 2]" 2
1236 1 111 LYS QG 1 114 GLU H . . 4.560 3.275 2.001 4.315 . 0 0 "[ . 1 . 2]" 2
1237 1 111 LYS H 1 114 GLU H 5.000 . 5.000 4.314 3.809 4.562 . 0 0 "[ . 1 . 2]" 2
1238 1 111 LYS H 1 114 GLU QB 5.000 . 5.000 3.373 2.989 3.965 . 0 0 "[ . 1 . 2]" 2
1239 1 111 LYS HA 1 114 GLU H 5.000 . 5.000 4.714 4.501 5.109 0.109 11 0 "[ . 1 . 2]" 2
1240 1 111 LYS H 1 111 LYS QG . . 4.480 3.570 1.937 4.033 . 0 0 "[ . 1 . 2]" 2
1241 1 111 LYS HA 1 111 LYS QE 6.160 . 6.160 4.460 3.436 5.656 . 0 0 "[ . 1 . 2]" 2
1242 1 111 LYS HA 1 111 LYS QD 4.590 . 4.590 3.514 2.027 4.438 . 0 0 "[ . 1 . 2]" 2
1243 1 111 LYS H 1 111 LYS QD 5.000 . 5.000 4.269 3.435 4.682 . 0 0 "[ . 1 . 2]" 2
1244 1 111 LYS HA 1 112 THR H 3.900 . 3.900 2.265 2.163 2.504 . 0 0 "[ . 1 . 2]" 2
1245 1 111 LYS QD 1 112 THR H 5.340 . 5.340 4.007 2.691 4.753 . 0 0 "[ . 1 . 2]" 2
1246 1 112 THR H 1 112 THR HB 4.250 . 4.250 2.548 2.494 2.626 . 0 0 "[ . 1 . 2]" 2
1247 1 112 THR H 1 113 GLU QB 5.000 . 5.000 4.656 4.410 4.867 . 0 0 "[ . 1 . 2]" 2
1248 1 112 THR HA 1 113 GLU H 5.000 . 5.000 3.516 3.412 3.548 . 0 0 "[ . 1 . 2]" 2
1249 1 112 THR H 1 114 GLU H 4.860 . 4.860 4.320 4.138 4.628 . 0 0 "[ . 1 . 2]" 2
1250 1 112 THR HA 1 114 GLU H 4.760 . 4.760 4.173 4.041 4.424 . 0 0 "[ . 1 . 2]" 2
1251 1 112 THR HB 1 113 GLU H 4.380 . 4.380 3.113 2.602 4.213 . 0 0 "[ . 1 . 2]" 2
1252 1 112 THR MG 1 113 GLU HA 5.000 . 5.000 3.523 3.206 3.657 . 0 0 "[ . 1 . 2]" 2
1253 1 112 THR HA 1 115 PHE H 4.700 . 4.700 3.831 3.461 4.071 . 0 0 "[ . 1 . 2]" 2
1254 1 112 THR HA 1 115 PHE QE 5.500 . 5.500 2.978 2.663 3.764 . 0 0 "[ . 1 . 2]" 2
1255 1 112 THR H 1 112 THR MG . . 4.380 3.259 1.954 3.765 . 0 0 "[ . 1 . 2]" 2
1256 1 112 THR HA 1 115 PHE QD 5.000 . 5.000 3.941 3.507 4.375 . 0 0 "[ . 1 . 2]" 2
1257 1 112 THR H 1 113 GLU H 4.510 . 4.510 2.764 2.624 2.902 . 0 0 "[ . 1 . 2]" 2
1258 1 112 THR MG 1 113 GLU H 5.000 . 5.000 3.196 2.192 3.610 . 0 0 "[ . 1 . 2]" 2
1259 1 112 THR MG 1 114 GLU H 6.230 . 6.230 4.803 4.351 5.113 . 0 0 "[ . 1 . 2]" 2
1260 1 113 GLU H 1 113 GLU QG 4.390 . 4.390 2.833 2.207 3.941 . 0 0 "[ . 1 . 2]" 2
1261 1 113 GLU QB 1 114 GLU H 4.960 . 4.960 2.726 2.592 2.917 . 0 0 "[ . 1 . 2]" 2
1262 1 113 GLU HA 1 114 GLU H 5.000 . 5.000 3.511 3.477 3.556 . 0 0 "[ . 1 . 2]" 2
1263 1 113 GLU QB 1 114 GLU HA 5.000 . 5.000 3.925 3.835 4.215 . 0 0 "[ . 1 . 2]" 2
1264 1 113 GLU H 1 114 GLU H 4.740 . 4.740 2.698 2.625 2.843 . 0 0 "[ . 1 . 2]" 2
1265 1 113 GLU QG 1 114 GLU H 5.000 . 5.000 4.203 3.715 4.580 . 0 0 "[ . 1 . 2]" 2
1266 1 113 GLU H 1 115 PHE H 5.000 . 5.000 4.309 4.150 4.390 . 0 0 "[ . 1 . 2]" 2
1267 1 113 GLU QB 1 115 PHE H . . 5.250 4.586 4.419 4.725 . 0 0 "[ . 1 . 2]" 2
1268 1 114 GLU HA 1 115 PHE H 5.030 . 5.030 3.439 3.295 3.501 . 0 0 "[ . 1 . 2]" 2
1269 1 114 GLU H 1 115 PHE QD 5.500 . 5.500 3.970 3.689 4.149 . 0 0 "[ . 1 . 2]" 2
1270 1 114 GLU H 1 114 GLU QG 4.600 . 4.600 2.482 2.134 3.595 . 0 0 "[ . 1 . 2]" 2
1271 1 114 GLU H 1 115 PHE H 4.190 . 4.190 2.773 2.706 2.837 . 0 0 "[ . 1 . 2]" 2
1272 1 114 GLU QB 1 115 PHE H 4.850 . 4.850 3.190 3.038 3.530 . 0 0 "[ . 1 . 2]" 2
1273 1 114 GLU HA 1 129 PHE H 5.000 . 5.000 3.928 3.372 4.363 . 0 0 "[ . 1 . 2]" 2
1274 1 114 GLU QG 1 129 PHE H 5.000 . 5.000 4.413 3.658 4.900 . 0 0 "[ . 1 . 2]" 2
1275 1 114 GLU QB 1 129 PHE H 5.000 . 5.000 4.540 3.986 4.865 . 0 0 "[ . 1 . 2]" 2
1276 1 115 PHE QD 1 123 ALA H 6.600 . 6.600 5.075 4.723 5.345 . 0 0 "[ . 1 . 2]" 2
1277 1 115 PHE HA 1 116 GLU H 4.300 . 4.300 2.354 2.314 2.435 . 0 0 "[ . 1 . 2]" 2
1278 1 115 PHE QD 1 116 GLU H 5.000 . 5.000 3.332 3.153 3.404 . 0 0 "[ . 1 . 2]" 2
1279 1 115 PHE QE 1 117 VAL MG2 5.000 . 5.000 2.355 1.833 3.419 . 0 0 "[ . 1 . 2]" 2
1280 1 115 PHE QD 1 117 VAL H 6.200 . 6.200 4.143 4.019 4.386 . 0 0 "[ . 1 . 2]" 2
1281 1 115 PHE HA 1 124 HIS H 5.000 . 5.000 5.063 4.905 5.189 0.189 14 0 "[ . 1 . 2]" 2
1282 1 115 PHE QB 1 124 HIS H 5.000 . 5.000 4.716 4.543 4.778 . 0 0 "[ . 1 . 2]" 2
1283 1 115 PHE H 1 125 ARG QB 5.000 . 5.000 3.630 3.486 3.754 . 0 0 "[ . 1 . 2]" 2
1284 1 115 PHE QB 1 125 ARG H 4.680 . 4.680 3.682 3.444 3.918 . 0 0 "[ . 1 . 2]" 2
1285 1 115 PHE H 1 125 ARG QG 4.300 . 4.300 3.152 2.580 3.896 . 0 0 "[ . 1 . 2]" 2
1286 1 115 PHE H 1 115 PHE QD 5.000 . 5.000 2.942 2.831 3.108 . 0 0 "[ . 1 . 2]" 2
1287 1 115 PHE QD 1 122 VAL MG1 5.500 . 5.500 3.106 2.627 4.284 . 0 0 "[ . 1 . 2]" 2
1288 1 115 PHE H 1 115 PHE QE 5.500 . 5.500 4.280 4.178 4.480 . 0 0 "[ . 1 . 2]" 2
1289 1 115 PHE QB 1 116 GLU H 4.750 . 4.750 2.446 2.332 2.516 . 0 0 "[ . 1 . 2]" 2
1290 1 115 PHE H 1 116 GLU HA 5.000 . 5.000 4.812 4.736 4.874 . 0 0 "[ . 1 . 2]" 2
1291 1 115 PHE QD 1 122 VAL MG2 8.430 . 8.430 4.767 4.344 5.333 . 0 0 "[ . 1 . 2]" 2
1292 1 115 PHE H 1 116 GLU QB 5.580 . 5.580 5.272 5.070 5.353 . 0 0 "[ . 1 . 2]" 2
1293 1 116 GLU QG 1 123 ALA H 5.000 . 5.000 3.854 3.494 4.320 . 0 0 "[ . 1 . 2]" 2
1294 1 116 GLU H 1 123 ALA O 2.200 . 2.200 1.867 1.835 1.914 . 0 0 "[ . 1 . 2]" 2
1295 1 116 GLU H 1 123 ALA H 3.870 . 3.870 3.527 3.083 3.814 . 0 0 "[ . 1 . 2]" 2
1296 1 116 GLU QB 1 123 ALA H 5.000 . 5.000 3.102 2.907 3.363 . 0 0 "[ . 1 . 2]" 2
1297 1 116 GLU H 1 124 HIS HA 4.720 . 4.720 2.963 2.567 3.376 . 0 0 "[ . 1 . 2]" 2
1298 1 116 GLU HA 1 117 VAL H 4.200 . 4.200 2.165 2.137 2.201 . 0 0 "[ . 1 . 2]" 2
1299 1 116 GLU HA 1 117 VAL MG2 4.830 . 4.830 3.536 3.441 3.596 . 0 0 "[ . 1 . 2]" 2
1300 1 116 GLU QG 1 118 THR H 5.000 . 5.000 4.169 3.558 4.667 . 0 0 "[ . 1 . 2]" 2
1301 1 116 GLU H 1 122 VAL MG1 5.000 . 5.000 3.869 3.512 5.190 0.190 13 0 "[ . 1 . 2]" 2
1302 1 116 GLU H 1 125 ARG QG 4.200 . 4.200 2.833 2.591 3.721 . 0 0 "[ . 1 . 2]" 2
1303 1 116 GLU H 1 125 ARG H 5.000 . 5.000 4.017 3.627 4.623 . 0 0 "[ . 1 . 2]" 2
1304 1 116 GLU QG 1 117 VAL H 5.000 . 5.000 2.635 2.239 2.869 . 0 0 "[ . 1 . 2]" 2
1305 1 116 GLU H 1 117 VAL MG2 5.400 . 5.400 4.463 4.004 5.411 0.011 18 0 "[ . 1 . 2]" 2
1306 1 116 GLU H 1 117 VAL H 5.000 . 5.000 4.415 4.390 4.448 . 0 0 "[ . 1 . 2]" 2
1307 1 116 GLU H 1 123 ALA MB 5.260 . 5.260 4.352 4.221 4.507 . 0 0 "[ . 1 . 2]" 2
1308 1 117 VAL HA 1 118 THR H 3.920 . 3.920 2.153 2.096 2.234 . 0 0 "[ . 1 . 2]" 2
1309 1 117 VAL MG2 1 118 THR H 5.500 . 5.500 4.057 3.789 4.234 . 0 0 "[ . 1 . 2]" 2
1310 1 117 VAL H 1 118 THR H 5.000 . 5.000 4.298 4.030 4.456 . 0 0 "[ . 1 . 2]" 2
1311 1 117 VAL HA 1 122 VAL MG1 5.000 . 5.000 2.438 1.995 3.081 . 0 0 "[ . 1 . 2]" 2
1312 1 117 VAL H 1 117 VAL MG1 4.740 . 4.740 3.631 2.839 3.898 . 0 0 "[ . 1 . 2]" 2
1313 1 117 VAL H 1 117 VAL MG2 4.000 . 4.000 2.557 1.979 2.803 . 0 0 "[ . 1 . 2]" 2
1314 1 117 VAL HA 1 122 VAL H 5.000 . 5.000 5.062 4.929 5.189 0.189 10 0 "[ . 1 . 2]" 2
1315 1 117 VAL MG2 1 122 VAL HA 5.000 . 5.000 4.170 3.595 5.067 0.067 2 0 "[ . 1 . 2]" 2
1316 1 117 VAL H 1 122 VAL HA 5.000 . 5.000 4.921 4.793 5.032 0.032 14 0 "[ . 1 . 2]" 2
1317 1 117 VAL HB 1 118 THR H 5.000 . 5.000 4.005 2.851 4.419 . 0 0 "[ . 1 . 2]" 2
1318 1 117 VAL MG1 1 118 THR H 4.500 . 4.500 3.073 2.595 4.133 . 0 0 "[ . 1 . 2]" 2
1319 1 118 THR H 1 120 THR H 5.000 . 5.000 4.662 4.418 5.051 0.051 9 0 "[ . 1 . 2]" 2
1320 1 118 THR HA 1 120 THR H 5.000 . 5.000 4.368 4.091 4.907 . 0 0 "[ . 1 . 2]" 2
1321 1 118 THR MG 1 120 THR H 4.560 . 4.560 3.083 2.013 4.684 0.124 20 0 "[ . 1 . 2]" 2
1322 1 118 THR H 1 121 ALA MB 5.500 . 5.500 4.514 4.022 4.789 . 0 0 "[ . 1 . 2]" 2
1323 1 118 THR H 1 121 ALA O 2.200 . 2.200 1.995 1.840 2.220 0.020 6 0 "[ . 1 . 2]" 2
1324 1 118 THR MG 1 121 ALA H 4.310 . 4.310 3.435 1.835 4.237 . 0 0 "[ . 1 . 2]" 2
1325 1 118 THR HA 1 118 THR MG 3.320 . 3.320 2.363 2.095 3.219 . 0 0 "[ . 1 . 2]" 2
1326 1 118 THR H 1 118 THR HB . . 4.010 3.182 2.681 3.860 . 0 0 "[ . 1 . 2]" 2
1327 1 118 THR H 1 118 THR MG 4.680 . 4.680 3.390 2.432 3.962 . 0 0 "[ . 1 . 2]" 2
1328 1 118 THR H 1 122 VAL HA 4.450 . 4.450 2.822 2.501 3.277 . 0 0 "[ . 1 . 2]" 2
1329 1 118 THR HA 1 119 LYS H 3.850 . 3.850 2.442 2.313 2.682 . 0 0 "[ . 1 . 2]" 2
1330 1 118 THR HB 1 119 LYS H 3.770 . 3.770 3.023 2.072 3.796 0.026 14 0 "[ . 1 . 2]" 2
1331 1 118 THR MG 1 119 LYS H 5.000 . 5.000 2.594 1.858 3.743 . 0 0 "[ . 1 . 2]" 2
1332 1 118 THR H 1 122 VAL MG2 5.000 . 5.000 2.916 2.284 5.004 0.004 20 0 "[ . 1 . 2]" 2
1333 1 118 THR HA 1 119 LYS QB 5.000 . 5.000 4.432 4.290 4.573 . 0 0 "[ . 1 . 2]" 2
1334 1 119 LYS H 1 121 ALA H 4.570 . 4.570 4.172 3.774 4.511 . 0 0 "[ . 1 . 2]" 2
1335 1 119 LYS H 1 119 LYS QG 5.000 . 5.000 2.412 2.038 3.923 . 0 0 "[ . 1 . 2]" 2
1336 1 119 LYS H 1 119 LYS QD 5.000 . 5.000 3.718 1.912 4.361 . 0 0 "[ . 1 . 2]" 2
1337 1 119 LYS HA 1 119 LYS QD 5.000 . 5.000 4.260 3.878 4.464 . 0 0 "[ . 1 . 2]" 2
1338 1 119 LYS QB 1 120 THR MG 5.000 . 5.000 3.487 2.685 4.595 . 0 0 "[ . 1 . 2]" 2
1339 1 119 LYS H 1 120 THR MG 5.600 . 5.600 4.423 3.896 4.763 . 0 0 "[ . 1 . 2]" 2
1340 1 119 LYS HA 1 120 THR MG 5.500 . 5.500 4.488 4.027 4.987 . 0 0 "[ . 1 . 2]" 2
1341 1 119 LYS QB 1 120 THR H . . 5.040 3.477 2.418 3.756 . 0 0 "[ . 1 . 2]" 2
1342 1 119 LYS HA 1 120 THR H 5.000 . 5.000 3.516 3.462 3.593 . 0 0 "[ . 1 . 2]" 2
1343 1 119 LYS H 1 120 THR H 4.580 . 4.580 2.847 2.749 2.969 . 0 0 "[ . 1 . 2]" 2
1344 1 119 LYS HA 1 121 ALA H 5.000 . 5.000 4.748 4.499 5.031 0.031 6 0 "[ . 1 . 2]" 2
1345 1 119 LYS QG 1 121 ALA H 5.000 . 5.000 4.359 3.691 5.062 0.062 20 0 "[ . 1 . 2]" 2
1346 1 120 THR H 1 120 THR MG 4.420 . 4.420 2.672 1.918 2.981 . 0 0 "[ . 1 . 2]" 2
1347 1 120 THR MG 1 121 ALA H 5.000 . 5.000 3.838 2.087 4.355 . 0 0 "[ . 1 . 2]" 2
1348 1 120 THR HA 1 121 ALA H 5.000 . 5.000 3.426 3.060 3.560 . 0 0 "[ . 1 . 2]" 2
1349 1 120 THR H 1 121 ALA H 3.710 . 3.710 2.113 1.885 2.317 . 0 0 "[ . 1 . 2]" 2
1350 1 120 THR HB 1 121 ALA H 4.990 . 4.990 4.140 3.984 4.630 . 0 0 "[ . 1 . 2]" 2
1351 1 121 ALA HA 1 122 VAL H 3.940 . 3.940 2.299 2.174 2.412 . 0 0 "[ . 1 . 2]" 2
1352 1 121 ALA MB 1 122 VAL HA 5.090 . 5.090 4.035 3.880 4.099 . 0 0 "[ . 1 . 2]" 2
1353 1 121 ALA HA 1 122 VAL MG1 6.570 . 6.570 5.259 3.500 5.474 . 0 0 "[ . 1 . 2]" 2
1354 1 121 ALA HA 1 122 VAL MG2 5.000 . 5.000 3.451 3.329 3.615 . 0 0 "[ . 1 . 2]" 2
1355 1 121 ALA MB 1 122 VAL HB 6.000 . 6.000 4.901 4.657 5.431 . 0 0 "[ . 1 . 2]" 2
1356 1 121 ALA MB 1 122 VAL H 4.120 . 4.120 2.542 2.228 2.891 . 0 0 "[ . 1 . 2]" 2
1357 1 122 VAL H 1 122 VAL MG2 . . 4.680 2.725 2.019 2.938 . 0 0 "[ . 1 . 2]" 2
1358 1 122 VAL MG1 1 123 ALA H 4.600 . 4.600 2.813 2.599 3.779 . 0 0 "[ . 1 . 2]" 2
1359 1 122 VAL MG1 1 123 ALA HA 5.000 . 5.000 3.751 3.470 5.365 0.365 20 0 "[ . 1 . 2]" 2
1360 1 122 VAL HA 1 123 ALA H 3.920 . 3.920 2.193 2.158 2.301 . 0 0 "[ . 1 . 2]" 2
1361 1 122 VAL H 1 122 VAL MG1 . . 4.630 3.787 2.923 3.912 . 0 0 "[ . 1 . 2]" 2
1362 1 122 VAL MG1 1 136 LEU MD2 7.200 . 7.200 4.353 3.627 5.855 . 0 0 "[ . 1 . 2]" 2
1363 1 122 VAL HB 1 123 ALA H 5.000 . 5.000 4.093 2.727 4.283 . 0 0 "[ . 1 . 2]" 2
1364 1 122 VAL H 1 123 ALA H 5.000 . 5.000 4.363 4.280 4.457 . 0 0 "[ . 1 . 2]" 2
1365 1 122 VAL HA 1 123 ALA MB 5.000 . 5.000 3.979 3.841 4.011 . 0 0 "[ . 1 . 2]" 2
1366 1 123 ALA MB 1 124 HIS H 4.150 . 4.150 2.729 2.568 2.881 . 0 0 "[ . 1 . 2]" 2
1367 1 123 ALA HA 1 124 HIS H 4.430 . 4.430 2.296 2.248 2.361 . 0 0 "[ . 1 . 2]" 2
1368 1 123 ALA MB 1 124 HIS HA 5.400 . 5.400 4.417 4.382 4.443 . 0 0 "[ . 1 . 2]" 2
1369 1 124 HIS HD2 1 126 PRO QB 7.200 . 7.200 3.937 3.455 4.565 . 0 0 "[ . 1 . 2]" 2
1370 1 124 HIS HD2 1 126 PRO QD 7.200 . 7.200 3.524 2.888 4.641 . 0 0 "[ . 1 . 2]" 2
1371 1 124 HIS HD2 1 126 PRO QG 7.200 . 7.200 4.239 2.812 5.777 . 0 0 "[ . 1 . 2]" 2
1372 1 124 HIS HD2 1 127 GLY H 5.000 . 5.000 4.688 4.524 4.831 . 0 0 "[ . 1 . 2]" 2
1373 1 124 HIS HD2 1 128 ALA H 5.000 . 5.000 5.062 5.029 5.122 0.122 13 0 "[ . 1 . 2]" 2
1374 1 124 HIS QB 1 129 PHE H 5.000 . 5.000 4.665 4.004 4.941 . 0 0 "[ . 1 . 2]" 2
1375 1 124 HIS HD2 1 129 PHE QB 5.000 . 5.000 3.559 2.753 4.708 . 0 0 "[ . 1 . 2]" 2
1376 1 124 HIS HD2 1 129 PHE H 5.000 . 5.000 4.575 4.220 4.903 . 0 0 "[ . 1 . 2]" 2
1377 1 124 HIS QB 1 129 PHE QB 5.000 . 5.000 2.658 2.288 3.402 . 0 0 "[ . 1 . 2]" 2
1378 1 124 HIS HA 1 125 ARG H 4.440 . 4.440 2.384 2.314 2.425 . 0 0 "[ . 1 . 2]" 2
1379 1 124 HIS HD2 1 125 ARG H 5.000 . 5.000 3.726 3.544 4.124 . 0 0 "[ . 1 . 2]" 2
1380 1 124 HIS QB 1 125 ARG H 5.000 . 5.000 2.437 2.356 2.569 . 0 0 "[ . 1 . 2]" 2
1381 1 124 HIS H 1 124 HIS HD2 4.770 . 4.770 4.809 4.725 4.856 0.086 19 0 "[ . 1 . 2]" 2
1382 1 125 ARG QB 1 128 ALA H 5.000 . 5.000 3.911 3.693 4.183 . 0 0 "[ . 1 . 2]" 2
1383 1 125 ARG QB 1 129 PHE H 5.000 . 5.000 3.843 3.362 4.212 . 0 0 "[ . 1 . 2]" 2
1384 1 125 ARG H 1 125 ARG QG . . 4.970 2.928 2.654 3.445 . 0 0 "[ . 1 . 2]" 2
1385 1 126 PRO HA 1 127 GLY HA3 4.460 . 4.460 4.477 4.467 4.494 0.034 16 0 "[ . 1 . 2]" 2
1386 1 126 PRO HA 1 127 GLY H 4.130 . 4.130 2.191 2.171 2.218 . 0 0 "[ . 1 . 2]" 2
1387 1 126 PRO QB 1 127 GLY H 5.000 . 5.000 3.152 3.013 3.263 . 0 0 "[ . 1 . 2]" 2
1388 1 126 PRO QB 1 128 ALA H 5.000 . 5.000 4.609 4.567 4.678 . 0 0 "[ . 1 . 2]" 2
1389 1 127 GLY H 1 129 PHE H 5.000 . 5.000 3.821 3.520 4.341 . 0 0 "[ . 1 . 2]" 2
1390 1 127 GLY HA3 1 128 ALA H 4.960 . 4.960 3.356 3.327 3.438 . 0 0 "[ . 1 . 2]" 2
1391 1 127 GLY HA2 1 128 ALA H 4.630 . 4.630 3.303 3.185 3.336 . 0 0 "[ . 1 . 2]" 2
1392 1 127 GLY H 1 128 ALA H 4.700 . 4.700 2.634 2.599 2.709 . 0 0 "[ . 1 . 2]" 2
1393 1 128 ALA MB 1 129 PHE HA 5.500 . 5.500 3.826 3.734 3.919 . 0 0 "[ . 1 . 2]" 2
1394 1 128 ALA MB 1 129 PHE H 4.420 . 4.420 2.667 2.206 2.983 . 0 0 "[ . 1 . 2]" 2
1395 1 128 ALA HA 1 129 PHE H 5.060 . 5.060 3.525 3.453 3.585 . 0 0 "[ . 1 . 2]" 2
1396 1 128 ALA H 1 129 PHE H 4.570 . 4.570 1.968 1.791 2.228 0.009 18 0 "[ . 1 . 2]" 2
1397 1 129 PHE QB 1 130 LYS H 5.000 . 5.000 3.277 2.671 3.818 . 0 0 "[ . 1 . 2]" 2
1398 1 129 PHE HA 1 130 LYS H 4.900 . 4.900 2.191 2.138 2.277 . 0 0 "[ . 1 . 2]" 2
1399 1 130 LYS H 1 132 GLU H 4.990 . 4.990 3.841 3.329 5.210 0.220 17 0 "[ . 1 . 2]" 2
1400 1 130 LYS H 1 130 LYS QG . . 5.000 2.711 1.926 4.047 . 0 0 "[ . 1 . 2]" 2
1401 1 130 LYS HA 1 131 ALA MB 5.000 . 5.000 3.886 3.662 4.205 . 0 0 "[ . 1 . 2]" 2
1402 1 130 LYS HA 1 132 GLU H 5.000 . 5.000 4.717 3.900 5.176 0.176 12 0 "[ . 1 . 2]" 2
1403 1 131 ALA MB 1 132 GLU H 5.000 . 5.000 3.587 2.724 3.708 . 0 0 "[ . 1 . 2]" 2
1404 1 131 ALA HA 1 132 GLU H 4.900 . 4.900 2.968 2.811 3.522 . 0 0 "[ . 1 . 2]" 2
1405 1 132 GLU QG 1 133 LEU H 5.000 . 5.000 3.947 2.842 4.715 . 0 0 "[ . 1 . 2]" 2
1406 1 132 GLU HA 1 133 LEU H 5.000 . 5.000 2.158 2.111 2.248 . 0 0 "[ . 1 . 2]" 2
1407 1 132 GLU H 1 133 LEU H 5.000 . 5.000 4.307 4.074 4.557 . 0 0 "[ . 1 . 2]" 2
1408 1 132 GLU H 1 132 GLU QG 4.880 . 4.880 3.117 1.914 4.251 . 0 0 "[ . 1 . 2]" 2
1409 1 133 LEU H 1 133 LEU HG . . 5.000 4.443 2.586 5.078 0.078 6 0 "[ . 1 . 2]" 2
1410 1 133 LEU HA 1 135 LYS H 5.000 . 5.000 4.158 3.838 4.646 . 0 0 "[ . 1 . 2]" 2
1411 1 133 LEU MD2 1 136 LEU MD1 5.000 . 5.000 2.480 1.950 3.969 . 0 0 "[ . 1 . 2]" 2
1412 1 133 LEU MD1 1 136 LEU MD2 5.000 . 5.000 2.217 1.914 3.117 . 0 0 "[ . 1 . 2]" 2
1413 1 133 LEU MD1 1 136 LEU HG 5.000 . 5.000 2.513 2.023 3.835 . 0 0 "[ . 1 . 2]" 2
1414 1 133 LEU H 1 134 SER HA 5.000 . 5.000 4.751 4.607 4.994 . 0 0 "[ . 1 . 2]" 2
1415 1 133 LEU MD1 1 136 LEU HA 5.500 . 5.500 4.386 3.644 5.238 . 0 0 "[ . 1 . 2]" 2
1416 1 133 LEU MD1 1 134 SER H 5.000 . 5.000 2.567 2.028 3.215 . 0 0 "[ . 1 . 2]" 2
1417 1 133 LEU H 1 134 SER H 5.000 . 5.000 4.234 4.052 4.369 . 0 0 "[ . 1 . 2]" 2
1418 1 133 LEU QB 1 134 SER H 5.000 . 5.000 3.628 2.746 3.843 . 0 0 "[ . 1 . 2]" 2
1419 1 133 LEU HG 1 134 SER H 5.000 . 5.000 3.398 2.426 5.033 0.033 11 0 "[ . 1 . 2]" 2
1420 1 133 LEU HA 1 134 SER H 4.840 . 4.840 2.198 2.147 2.312 . 0 0 "[ . 1 . 2]" 2
1421 1 134 SER H 1 135 LYS HA 5.000 . 5.000 4.548 4.338 4.652 . 0 0 "[ . 1 . 2]" 2
1422 1 134 SER QB 1 135 LYS HA 5.000 . 5.000 4.401 4.156 4.735 . 0 0 "[ . 1 . 2]" 2
1423 1 134 SER QB 1 135 LYS H 5.000 . 5.000 2.559 2.197 2.971 . 0 0 "[ . 1 . 2]" 2
1424 1 134 SER HA 1 135 LYS H 5.000 . 5.000 3.574 3.510 3.621 . 0 0 "[ . 1 . 2]" 2
1425 1 134 SER H 1 135 LYS H 4.370 . 4.370 2.102 1.830 2.532 . 0 0 "[ . 1 . 2]" 2
1426 1 135 LYS QB 1 136 LEU H 5.000 . 5.000 3.554 2.480 3.755 . 0 0 "[ . 1 . 2]" 2
1427 1 135 LYS HA 1 136 LEU H 3.680 . 3.680 2.170 2.138 2.307 . 0 0 "[ . 1 . 2]" 2
1428 1 135 LYS QG 1 136 LEU H 5.000 . 5.000 2.777 2.460 4.001 . 0 0 "[ . 1 . 2]" 2
1429 1 135 LYS H 1 135 LYS QD 5.420 . 5.420 4.833 4.228 5.120 . 0 0 "[ . 1 . 2]" 2
1430 1 135 LYS QD 1 136 LEU H 5.320 . 5.320 4.675 4.413 5.037 . 0 0 "[ . 1 . 2]" 2
1431 1 135 LYS H 1 135 LYS QG 5.000 . 5.000 3.909 2.372 4.184 . 0 0 "[ . 1 . 2]" 2
1432 1 136 LEU H 1 136 LEU MD2 5.400 . 5.400 4.004 2.863 4.580 . 0 0 "[ . 1 . 2]" 2
1433 1 136 LEU HA 1 136 LEU MD2 4.140 . 4.140 2.210 2.005 3.589 . 0 0 "[ . 1 . 2]" 2
1434 1 136 LEU HA 1 137 VAL MG2 5.000 . 5.000 3.854 3.544 5.347 0.347 3 0 "[ . 1 . 2]" 2
1435 1 136 LEU QB 1 137 VAL H . . 4.260 3.046 2.493 3.255 . 0 0 "[ . 1 . 2]" 2
1436 1 136 LEU H 1 137 VAL HA 5.000 . 5.000 4.943 4.844 5.001 0.001 14 0 "[ . 1 . 2]" 2
1437 1 136 LEU HA 1 137 VAL H 3.300 . 3.300 2.182 2.162 2.215 . 0 0 "[ . 1 . 2]" 2
1438 1 136 LEU H 1 137 VAL H 5.040 . 5.040 4.381 4.285 4.423 . 0 0 "[ . 1 . 2]" 2
1439 1 136 LEU HA 1 136 LEU QD 3.750 . 3.750 2.140 1.918 3.104 . 0 0 "[ . 1 . 2]" 2
1440 1 136 LEU H 1 136 LEU HG 4.500 . 4.500 3.162 2.886 4.498 . 0 0 "[ . 1 . 2]" 2
1441 1 136 LEU HA 1 136 LEU MD1 4.550 . 4.550 3.718 2.016 3.874 . 0 0 "[ . 1 . 2]" 2
1442 1 136 LEU H 1 136 LEU QD 5.230 . 5.230 3.397 2.305 3.634 . 0 0 "[ . 1 . 2]" 2
1443 1 136 LEU QB 1 138 ILE H 5.270 . 5.270 4.817 4.640 4.993 . 0 0 "[ . 1 . 2]" 2
1444 1 136 LEU MD2 1 137 VAL H 5.000 . 5.000 3.521 3.057 4.749 . 0 0 "[ . 1 . 2]" 2
1445 1 137 VAL H 1 137 VAL MG2 4.570 . 4.570 2.990 2.775 3.919 . 0 0 "[ . 1 . 2]" 2
1446 1 137 VAL H 1 137 VAL MG1 4.740 . 4.740 3.643 2.059 3.925 . 0 0 "[ . 1 . 2]" 2
1447 1 137 VAL HA 1 137 VAL MG2 3.440 . 3.440 2.410 2.321 2.472 . 0 0 "[ . 1 . 2]" 2
1448 1 137 VAL H 1 137 VAL HB 3.780 . 3.780 2.801 2.684 3.237 . 0 0 "[ . 1 . 2]" 2
1449 1 137 VAL MG1 1 138 ILE HA 5.000 . 5.000 3.751 3.587 4.044 . 0 0 "[ . 1 . 2]" 2
1450 1 137 VAL HA 1 138 ILE H 3.500 . 3.500 2.159 2.113 2.194 . 0 0 "[ . 1 . 2]" 2
1451 1 137 VAL MG1 1 138 ILE H 5.000 . 5.000 3.054 2.785 4.067 . 0 0 "[ . 1 . 2]" 2
1452 1 137 VAL MG1 1 139 VAL H 5.300 . 5.300 4.314 4.017 5.032 . 0 0 "[ . 1 . 2]" 2
1453 1 138 ILE H 1 138 ILE HB 3.960 . 3.960 2.756 2.652 3.878 . 0 0 "[ . 1 . 2]" 2
1454 1 138 ILE H 1 138 ILE QG 3.760 . 3.760 2.818 2.332 3.325 . 0 0 "[ . 1 . 2]" 2
1455 1 138 ILE H 1 139 VAL H 4.350 . 4.350 4.324 4.204 4.420 0.070 20 0 "[ . 1 . 2]" 2
1456 1 138 ILE HB 1 139 VAL H 4.290 . 4.290 4.165 2.710 4.313 0.023 2 0 "[ . 1 . 2]" 2
1457 1 138 ILE MG 1 139 VAL H 3.760 . 3.760 2.775 2.607 3.820 0.060 20 0 "[ . 1 . 2]" 2
1458 1 138 ILE H 1 139 VAL MG2 5.200 . 5.200 4.112 3.996 4.353 . 0 0 "[ . 1 . 2]" 2
1459 1 138 ILE QG 1 139 VAL H 5.000 . 5.000 4.151 3.784 4.247 . 0 0 "[ . 1 . 2]" 2
1460 1 138 ILE H 1 138 ILE MG . . 4.630 3.856 3.099 3.918 . 0 0 "[ . 1 . 2]" 2
1461 1 138 ILE HB 1 138 ILE MD 3.610 . 3.610 2.294 2.222 2.362 . 0 0 "[ . 1 . 2]" 2
1462 1 138 ILE H 1 138 ILE MD 4.850 . 4.850 3.832 2.159 4.040 . 0 0 "[ . 1 . 2]" 2
1463 1 138 ILE HA 1 139 VAL H 3.350 . 3.350 2.148 2.109 2.219 . 0 0 "[ . 1 . 2]" 2
1464 1 139 VAL HA 1 139 VAL QG 3.270 . 3.270 2.131 2.094 2.172 . 0 0 "[ . 1 . 2]" 2
1465 1 139 VAL HA 1 139 VAL MG2 3.210 . 3.210 2.388 2.330 2.447 . 0 0 "[ . 1 . 2]" 2
1466 1 139 VAL MG1 1 140 ALA H 5.000 . 5.000 2.844 2.745 2.916 . 0 0 "[ . 1 . 2]" 2
1467 1 139 VAL H 1 139 VAL HB 4.040 . 4.040 2.622 2.544 2.665 . 0 0 "[ . 1 . 2]" 2
1468 1 139 VAL H 1 139 VAL QG 3.640 . 3.640 2.654 2.467 2.739 . 0 0 "[ . 1 . 2]" 2
1469 1 139 VAL HB 1 140 ALA H 5.000 . 5.000 4.274 4.233 4.303 . 0 0 "[ . 1 . 2]" 2
1470 1 139 VAL H 1 139 VAL MG2 3.740 . 3.740 2.704 2.498 2.801 . 0 0 "[ . 1 . 2]" 2
1471 1 139 VAL HA 1 139 VAL MG1 3.210 . 3.210 2.397 2.340 2.452 . 0 0 "[ . 1 . 2]" 2
1472 1 139 VAL H 1 139 VAL MG1 4.670 . 4.670 3.862 3.828 3.878 . 0 0 "[ . 1 . 2]" 2
1473 1 139 VAL H 1 140 ALA H 4.570 . 4.570 4.293 4.222 4.357 . 0 0 "[ . 1 . 2]" 2
1474 1 139 VAL HA 1 140 ALA H 3.410 . 3.410 2.124 2.081 2.178 . 0 0 "[ . 1 . 2]" 2
1475 1 140 ALA HA 1 141 LYS H 3.560 . 3.560 2.211 2.148 2.270 . 0 0 "[ . 1 . 2]" 2
1476 1 140 ALA MB 1 141 LYS H 3.660 . 3.660 2.840 2.653 3.109 . 0 0 "[ . 1 . 2]" 2
1477 1 140 ALA HA 1 141 LYS QB 5.000 . 5.000 4.018 3.944 4.095 . 0 0 "[ . 1 . 2]" 2
1478 1 140 ALA MB 1 141 LYS HA 5.160 . 5.160 4.158 4.046 4.243 . 0 0 "[ . 1 . 2]" 2
1479 1 140 ALA MB 1 141 LYS QB 6.510 . 6.510 4.464 4.346 4.609 . 0 0 "[ . 1 . 2]" 2
1480 1 141 LYS H 1 141 LYS QG 4.540 . 4.540 4.055 3.983 4.213 . 0 0 "[ . 1 . 2]" 2
1481 1 141 LYS HA 1 141 LYS QE 5.640 . 5.640 4.571 3.955 5.036 . 0 0 "[ . 1 . 2]" 2
1482 1 141 LYS HA 1 142 ALA H 4.200 . 4.200 2.171 2.115 2.223 . 0 0 "[ . 1 . 2]" 2
1483 1 141 LYS QG 1 142 ALA H 5.000 . 5.000 2.675 2.350 2.964 . 0 0 "[ . 1 . 2]" 2
1484 1 141 LYS H 1 142 ALA H 5.000 . 5.000 4.429 4.330 4.530 . 0 0 "[ . 1 . 2]" 2
1485 1 141 LYS QB 1 142 ALA H 4.870 . 4.870 3.748 3.572 3.867 . 0 0 "[ . 1 . 2]" 2
1486 1 141 LYS HA 1 142 ALA MB 5.000 . 5.000 4.016 3.938 4.076 . 0 0 "[ . 1 . 2]" 2
1487 1 141 LYS HA 1 141 LYS QD 4.680 . 4.680 3.961 3.362 4.211 . 0 0 "[ . 1 . 2]" 2
1488 1 142 ALA MB 1 143 SER H 4.340 . 4.340 2.917 2.578 3.121 . 0 0 "[ . 1 . 2]" 2
1489 1 142 ALA HA 1 143 SER H 3.730 . 3.730 2.183 2.125 2.272 . 0 0 "[ . 1 . 2]" 2
1490 1 142 ALA HA 1 143 SER QB 5.000 . 5.000 4.277 4.032 4.439 . 0 0 "[ . 1 . 2]" 2
1491 1 142 ALA H 1 143 SER H 5.000 . 5.000 4.600 4.543 4.645 . 0 0 "[ . 1 . 2]" 2
1492 1 143 SER QB 1 144 ARG H 4.860 . 4.860 3.161 2.220 4.039 . 0 0 "[ . 1 . 2]" 2
1493 1 143 SER HA 1 144 ARG H 3.800 . 3.800 2.837 2.132 3.549 . 0 0 "[ . 1 . 2]" 2
1494 1 143 SER H 1 144 ARG H 5.000 . 5.000 3.695 2.023 4.703 . 0 0 "[ . 1 . 2]" 2
1495 1 144 ARG H 1 144 ARG QG . . 5.100 3.003 1.952 4.128 . 0 0 "[ . 1 . 2]" 2
1496 1 144 ARG HA 1 145 THR H 3.800 . 3.800 2.785 2.157 3.590 . 0 0 "[ . 1 . 2]" 2
1497 1 144 ARG QB 1 145 THR H 5.000 . 5.000 3.090 1.986 3.887 . 0 0 "[ . 1 . 2]" 2
1498 1 145 THR H 1 145 THR MG 4.440 . 4.440 3.066 1.953 3.930 . 0 0 "[ . 1 . 2]" 2
1499 1 145 THR HB 1 146 GLU H 5.000 . 5.000 3.791 2.505 4.655 . 0 0 "[ . 1 . 2]" 2
1500 1 145 THR HA 1 146 GLU H 4.080 . 4.080 2.602 2.141 3.585 . 0 0 "[ . 1 . 2]" 2
1501 1 146 GLU H 1 146 GLU QG 4.890 . 4.890 3.190 2.153 4.441 . 0 0 "[ . 1 . 2]" 2
1502 1 146 GLU HA 1 147 LEU H 4.660 . 4.660 2.594 2.152 3.557 . 0 0 "[ . 1 . 2]" 2
1503 1 146 GLU QB 1 147 LEU H 5.000 . 5.000 3.138 2.527 4.021 . 0 0 "[ . 1 . 2]" 2
1504 1 146 GLU QG 1 147 LEU H 5.000 . 5.000 3.841 2.663 4.747 . 0 0 "[ . 1 . 2]" 2
1505 1 146 GLU H 1 147 LEU H 5.000 . 5.000 3.768 1.963 4.622 . 0 0 "[ . 1 . 2]" 2
1506 1 147 LEU H 1 147 LEU HG 4.810 . 4.810 3.712 2.106 4.870 0.060 13 0 "[ . 1 . 2]" 2
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