NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
437662 |
2k3j   |
15763 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k3j
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 969
_Distance_constraint_stats_list.Viol_count 2271
_Distance_constraint_stats_list.Viol_total 17327.094
_Distance_constraint_stats_list.Viol_max 2.460
_Distance_constraint_stats_list.Viol_rms 0.1816
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0447
_Distance_constraint_stats_list.Viol_average_violations_only 0.3815
_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 45 GLY 12.689 1.856 8 10 "[ ***+** *- * *]"
1 46 LEU 45.726 1.885 2 17 "[*+* *-** ******** **]"
1 47 ILE 57.206 1.885 11 20 [*****-****+*********]
1 48 LEU 84.023 2.168 3 20 [**+*-***************]
1 49 PRO 8.092 0.509 11 1 "[ . 1+ . 2]"
1 50 ASN 21.756 2.168 3 15 "[**+ .*********. -* *]"
1 51 GLY 14.072 0.846 19 10 "[ ** -** ** * . * +2]"
1 52 ASN 45.889 1.220 17 20 [****************+***]
1 53 ILE 98.616 1.610 17 18 "[************- **+ **]"
1 54 ASN 19.634 0.880 10 8 "[ *. **+* ** *]"
1 55 TRP 54.215 1.940 16 19 "[ **************+***-]"
1 56 ASN 40.217 2.104 6 17 "[****.+ **** *-******]"
1 57 CYS 29.107 2.017 14 16 "[****.*****-* +.*** *]"
1 58 PRO 3.539 0.240 3 0 "[ . 1 . 2]"
1 59 CYS 0.361 0.156 12 0 "[ . 1 . 2]"
1 60 LEU 70.615 2.017 14 20 [*****-*******+******]
1 61 GLY 0.361 0.156 12 0 "[ . 1 . 2]"
1 62 GLY 16.684 2.104 6 14 "[****.+ ** *-** ***]"
1 63 MET 9.951 1.157 12 7 "[ . ***1*+ *. -]"
1 64 ALA 16.578 1.072 18 12 "[ * *-** 1 **** +**]"
1 65 SER 0.223 0.158 1 0 "[ . 1 . 2]"
1 66 GLY 1.014 0.497 16 0 "[ . 1 . 2]"
1 67 PRO 36.151 2.460 5 16 "[-***+** ** ****** *2]"
1 68 CYS 36.540 2.445 7 20 [****-*+*************]
1 69 GLY 4.702 0.492 18 0 "[ . 1 . 2]"
1 70 GLU 12.741 1.084 18 7 "[ .*** 1 ** +-2]"
1 71 GLN 42.289 2.445 7 20 [-*****+*************]
1 72 PHE 40.161 1.157 12 15 "[** *****-**+**. * *]"
1 73 LYS 52.556 1.940 16 17 "[** *.***-** ***+****]"
1 74 SER 0.283 0.100 19 0 "[ . 1 . 2]"
1 75 ALA 0.381 0.184 16 0 "[ . 1 . 2]"
1 76 PHE 94.558 1.928 5 20 [****+***********-***]
1 77 SER 12.577 1.007 4 6 "[ +* *1- ** 2]"
1 78 CYS 5.795 0.545 13 1 "[ . 1 + . 2]"
1 79 PHE 7.052 0.967 9 4 "[ * . +1* . -2]"
1 80 HIS 2.023 0.426 7 0 "[ . 1 . 2]"
1 81 TYR 59.050 1.610 17 18 "[******* ****-***+ **]"
1 82 SER 9.948 1.406 6 5 "[ *+ 1 **-. 2]"
1 83 THR 17.334 1.789 10 10 "[ * **** +-***. 2]"
1 84 GLU 62.845 2.038 7 19 "[** ***+***-*********]"
1 85 GLU 27.021 1.789 10 16 "[***-**** +****** *2]"
1 86 ILE 57.314 1.772 20 20 [***-***************+]
1 87 LYS 33.461 1.664 1 16 "[+***.** ***** * ***-]"
1 88 GLY 28.167 1.591 15 16 "[** *.** *****-+*** *]"
1 89 SER 13.229 0.993 5 9 "[ * + - 1 * .*****]"
1 90 ASP 17.456 2.038 7 8 "[ **+ 1** .* * *]"
1 91 CYS 3.431 0.757 3 1 "[ + . 1 . 2]"
1 92 VAL 5.265 0.985 2 5 "[ +* . - 1 . **2]"
1 93 ASP 2.160 0.757 3 1 "[ + . 1 . 2]"
1 94 GLN 8.412 0.545 13 1 "[ . 1 + . 2]"
1 95 PHE 22.589 1.131 10 6 "[*** . + . **]"
1 96 ARG 12.371 0.423 3 0 "[ . 1 . 2]"
1 97 ALA 9.604 0.558 20 1 "[ . 1 . +]"
1 98 MET 1.168 0.099 8 0 "[ . 1 . 2]"
1 99 GLN 2.713 0.420 3 0 "[ . 1 . 2]"
1 100 GLU 4.487 0.558 20 1 "[ . 1 . +]"
1 101 CYS 14.275 0.844 7 4 "[* . + 1 * . - 2]"
1 102 MET 22.353 1.243 12 9 "[ -* . ***1 +**. * 2]"
1 103 GLN 6.461 0.408 18 0 "[ . 1 . 2]"
1 104 LYS 34.773 1.512 6 13 "[** *+ ***- * * ** *]"
1 105 TYR 109.607 2.460 5 20 [****+***************]
1 106 PRO 22.252 0.873 10 6 "[ ** + .*-* 2]"
1 107 ASP 9.518 0.727 1 2 "[+ . * . 2]"
1 108 LEU 32.840 1.063 15 9 "[* -* * * + ** *]"
1 109 TYR 57.865 1.280 12 16 "[*** .***** +*** -***]"
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 45 GLY H 1 47 ILE QG . . 5.200 5.608 4.179 7.056 1.856 8 8 "[ ** +*- *. * *]" 1
2 1 45 GLY HA2 1 47 ILE H . . 4.520 4.325 3.552 5.133 0.613 7 2 "[ . + 1 - 2]" 1
3 1 46 LEU HA 1 46 LEU QD . . 3.500 3.308 2.160 3.502 0.002 11 0 "[ . 1 . 2]" 1
4 1 46 LEU HA 1 46 LEU HG . . 3.910 3.677 2.875 3.854 . 0 0 "[ . 1 . 2]" 1
5 1 46 LEU HA 1 53 ILE HA . . 6.000 5.386 4.686 5.912 . 0 0 "[ . 1 . 2]" 1
6 1 46 LEU HA 1 53 ILE MG . . 6.000 4.339 3.761 4.992 . 0 0 "[ . 1 . 2]" 1
7 1 46 LEU HA 1 54 ASN HB2 . . 5.020 4.109 3.361 5.784 0.764 11 1 "[ . 1+ . 2]" 1
8 1 46 LEU HB2 1 47 ILE H . . 4.480 4.277 3.763 4.541 0.061 10 0 "[ . 1 . 2]" 1
9 1 46 LEU HB2 1 47 ILE MD . . 5.120 4.214 3.219 4.801 . 0 0 "[ . 1 . 2]" 1
10 1 46 LEU HB2 1 47 ILE QG . . 4.440 4.674 4.083 5.126 0.686 20 3 "[ .- 1 * . +]" 1
11 1 46 LEU HB3 1 47 ILE H . . 4.820 4.182 2.550 4.692 . 0 0 "[ . 1 . 2]" 1
12 1 46 LEU HB3 1 47 ILE MD . . 4.950 4.903 3.426 5.545 0.595 10 3 "[ .- +* . 2]" 1
13 1 46 LEU QD 1 47 ILE H . . 5.500 3.354 2.528 4.305 . 0 0 "[ . 1 . 2]" 1
14 1 46 LEU QD 1 47 ILE HA . . 5.500 4.016 3.246 4.783 . 0 0 "[ . 1 . 2]" 1
15 1 46 LEU QD 1 47 ILE MD . . 5.220 2.513 2.010 3.641 . 0 0 "[ . 1 . 2]" 1
16 1 46 LEU QD 1 47 ILE QG . . 3.860 2.661 2.240 3.190 . 0 0 "[ . 1 . 2]" 1
17 1 46 LEU QD 1 53 ILE QG . . 4.280 3.566 2.259 5.084 0.804 10 1 "[ . + . 2]" 1
18 1 46 LEU QD 1 53 ILE MG . . 4.150 2.858 2.172 4.017 . 0 0 "[ . 1 . 2]" 1
19 1 46 LEU QD 1 76 PHE QD . . 4.700 3.721 2.956 4.899 0.199 8 0 "[ . 1 . 2]" 1
20 1 46 LEU QD 1 76 PHE QE . . 4.600 2.713 2.192 3.387 . 0 0 "[ . 1 . 2]" 1
21 1 46 LEU QD 1 87 LYS QE . . 5.370 5.143 4.634 5.739 0.369 8 0 "[ . 1 . 2]" 1
22 1 46 LEU MD1 1 47 ILE H . . 5.650 4.189 2.983 5.543 . 0 0 "[ . 1 . 2]" 1
23 1 46 LEU MD1 1 47 ILE MD . . 4.350 2.740 2.020 4.300 . 0 0 "[ . 1 . 2]" 1
24 1 46 LEU HG 1 47 ILE H . . 5.050 3.289 2.404 4.599 . 0 0 "[ . 1 . 2]" 1
25 1 46 LEU HG 1 47 ILE HA . . 5.560 4.455 4.004 5.361 . 0 0 "[ . 1 . 2]" 1
26 1 46 LEU HG 1 47 ILE HB . . 5.420 4.636 4.010 5.604 0.184 18 0 "[ . 1 . 2]" 1
27 1 46 LEU HG 1 47 ILE MD . . 4.920 3.000 2.156 4.206 . 0 0 "[ . 1 . 2]" 1
28 1 46 LEU HG 1 76 PHE QD . . 5.460 6.087 4.827 7.345 1.885 2 11 "[ +* .* - 1****.* **]" 1
29 1 46 LEU HG 1 76 PHE QE . . 4.330 5.133 3.344 6.192 1.862 11 15 "[*** *** 1+***-** **]" 1
30 1 47 ILE H 1 47 ILE HB . . 3.470 2.591 2.347 3.040 . 0 0 "[ . 1 . 2]" 1
31 1 47 ILE H 1 47 ILE MD . . 4.990 3.519 3.152 4.159 . 0 0 "[ . 1 . 2]" 1
32 1 47 ILE H 1 47 ILE QG . . 3.850 2.653 2.227 3.568 . 0 0 "[ . 1 . 2]" 1
33 1 47 ILE H 1 47 ILE MG . . 4.580 3.855 3.751 3.995 . 0 0 "[ . 1 . 2]" 1
34 1 47 ILE H 1 48 LEU H . . 4.610 4.488 4.068 4.642 0.032 19 0 "[ . 1 . 2]" 1
35 1 47 ILE H 1 48 LEU QD . . 6.000 5.509 4.007 6.096 0.096 6 0 "[ . 1 . 2]" 1
36 1 47 ILE H 1 53 ILE HA . . 5.140 4.986 4.459 5.218 0.078 2 0 "[ . 1 . 2]" 1
37 1 47 ILE HA 1 47 ILE MD . . 3.660 2.222 2.108 2.440 . 0 0 "[ . 1 . 2]" 1
38 1 47 ILE HA 1 47 ILE MG . . 3.390 2.427 2.232 2.547 . 0 0 "[ . 1 . 2]" 1
39 1 47 ILE HA 1 48 LEU H . . 3.290 2.183 2.097 2.277 . 0 0 "[ . 1 . 2]" 1
40 1 47 ILE HA 1 53 ILE HA . . 3.650 2.395 2.168 2.515 . 0 0 "[ . 1 . 2]" 1
41 1 47 ILE HA 1 53 ILE QG . . 5.210 3.711 3.140 4.172 . 0 0 "[ . 1 . 2]" 1
42 1 47 ILE HA 1 54 ASN H . . 4.850 3.318 2.527 5.236 0.386 11 0 "[ . 1 . 2]" 1
43 1 47 ILE HB 1 48 LEU H . . 5.170 4.027 3.805 4.257 . 0 0 "[ . 1 . 2]" 1
44 1 47 ILE HB 1 51 GLY HA2 . . 6.000 5.402 4.692 6.799 0.799 11 2 "[ . -+ . 2]" 1
45 1 47 ILE MD 1 47 ILE MG . . 3.550 2.173 2.120 2.224 . 0 0 "[ . 1 . 2]" 1
46 1 47 ILE MD 1 48 LEU H . . 4.590 3.784 3.506 4.203 . 0 0 "[ . 1 . 2]" 1
47 1 47 ILE MD 1 51 GLY HA2 . . 6.000 4.766 4.101 5.516 . 0 0 "[ . 1 . 2]" 1
48 1 47 ILE MD 1 52 ASN HA . . 5.710 4.615 4.037 5.032 . 0 0 "[ . 1 . 2]" 1
49 1 47 ILE MD 1 53 ILE H . . 5.100 4.424 3.979 4.738 . 0 0 "[ . 1 . 2]" 1
50 1 47 ILE MD 1 53 ILE HA . . 3.970 2.603 2.270 3.146 . 0 0 "[ . 1 . 2]" 1
51 1 47 ILE MD 1 53 ILE MD . . 4.050 3.234 2.685 3.640 . 0 0 "[ . 1 . 2]" 1
52 1 47 ILE MD 1 53 ILE QG . . 3.740 2.139 2.071 2.315 . 0 0 "[ . 1 . 2]" 1
53 1 47 ILE MD 1 53 ILE MG . . 4.910 2.944 2.328 3.519 . 0 0 "[ . 1 . 2]" 1
54 1 47 ILE MD 1 54 ASN H . . 5.080 3.947 3.276 5.417 0.337 11 0 "[ . 1 . 2]" 1
55 1 47 ILE MD 1 76 PHE QD . . 5.480 4.579 4.127 5.191 . 0 0 "[ . 1 . 2]" 1
56 1 47 ILE MD 1 76 PHE QE . . 6.000 4.800 3.575 6.279 0.279 11 0 "[ . 1 . 2]" 1
57 1 47 ILE MD 1 79 PHE QD . . 6.000 6.035 5.440 6.518 0.518 2 1 "[ + . 1 . 2]" 1
58 1 47 ILE MD 1 81 TYR QE . . 5.140 4.865 4.081 6.118 0.978 7 2 "[ - . + 1 . 2]" 1
59 1 47 ILE QG 1 48 LEU H . . 6.000 4.659 4.515 4.807 . 0 0 "[ . 1 . 2]" 1
60 1 47 ILE QG 1 53 ILE HA . . 6.000 4.533 4.127 4.840 . 0 0 "[ . 1 . 2]" 1
61 1 47 ILE MG 1 48 LEU H . . 3.930 2.470 2.266 2.710 . 0 0 "[ . 1 . 2]" 1
62 1 47 ILE MG 1 48 LEU HB2 . . 4.430 3.857 3.644 4.248 . 0 0 "[ . 1 . 2]" 1
63 1 47 ILE MG 1 50 ASN H . . 5.240 4.716 3.724 5.288 0.048 17 0 "[ . 1 . 2]" 1
64 1 47 ILE MG 1 51 GLY H . . 4.150 3.309 2.982 3.876 . 0 0 "[ . 1 . 2]" 1
65 1 47 ILE MG 1 51 GLY HA2 . . 3.650 2.709 2.317 3.570 . 0 0 "[ . 1 . 2]" 1
66 1 47 ILE MG 1 52 ASN H . . 4.730 4.001 3.173 4.814 0.084 10 0 "[ . 1 . 2]" 1
67 1 47 ILE MG 1 52 ASN HA . . 5.160 4.284 3.691 5.556 0.396 11 0 "[ . 1 . 2]" 1
68 1 47 ILE MG 1 53 ILE H . . 5.920 4.883 4.179 5.642 . 0 0 "[ . 1 . 2]" 1
69 1 47 ILE MG 1 53 ILE HA . . 4.840 3.633 3.004 4.192 . 0 0 "[ . 1 . 2]" 1
70 1 47 ILE MG 1 53 ILE MD . . 5.410 5.046 4.210 5.735 0.325 11 0 "[ . 1 . 2]" 1
71 1 47 ILE MG 1 53 ILE MG . . 5.500 4.909 4.152 5.388 . 0 0 "[ . 1 . 2]" 1
72 1 47 ILE MG 1 76 PHE QD . . 6.000 7.265 6.601 7.885 1.885 11 20 [**********+******-**] 1
73 1 47 ILE MG 1 81 TYR QE . . 5.660 5.048 4.083 6.328 0.668 11 1 "[ . 1+ . 2]" 1
74 1 48 LEU H 1 48 LEU HB2 . . 4.160 2.274 2.153 2.530 . 0 0 "[ . 1 . 2]" 1
75 1 48 LEU H 1 48 LEU HB3 . . 4.140 3.534 3.455 3.702 . 0 0 "[ . 1 . 2]" 1
76 1 48 LEU H 1 48 LEU QD . . 4.250 3.246 3.127 3.442 . 0 0 "[ . 1 . 2]" 1
77 1 48 LEU H 1 48 LEU HG . . 3.730 2.719 2.479 2.997 . 0 0 "[ . 1 . 2]" 1
78 1 48 LEU H 1 49 PRO QD . . 5.090 4.478 4.438 4.513 . 0 0 "[ . 1 . 2]" 1
79 1 48 LEU H 1 50 ASN H . . 5.550 4.668 4.298 5.088 . 0 0 "[ . 1 . 2]" 1
80 1 48 LEU H 1 51 GLY H . . 4.580 4.092 3.820 4.553 . 0 0 "[ . 1 . 2]" 1
81 1 48 LEU H 1 51 GLY HA2 . . 5.550 4.648 4.310 5.046 . 0 0 "[ . 1 . 2]" 1
82 1 48 LEU H 1 51 GLY HA3 . . 6.000 5.859 5.570 6.133 0.133 19 0 "[ . 1 . 2]" 1
83 1 48 LEU H 1 52 ASN H . . 4.640 4.017 3.250 4.688 0.048 19 0 "[ . 1 . 2]" 1
84 1 48 LEU H 1 52 ASN QB . . 5.410 4.398 4.124 4.720 . 0 0 "[ . 1 . 2]" 1
85 1 48 LEU H 1 53 ILE HA . . 4.160 3.264 2.689 3.740 . 0 0 "[ . 1 . 2]" 1
86 1 48 LEU H 1 53 ILE MD . . 6.000 6.257 5.722 6.591 0.591 2 2 "[ + . - 1 . 2]" 1
87 1 48 LEU H 1 53 ILE MG . . 5.500 5.080 4.472 5.635 0.135 11 0 "[ . 1 . 2]" 1
88 1 48 LEU H 1 54 ASN HB2 . . 5.730 4.094 3.553 4.964 . 0 0 "[ . 1 . 2]" 1
89 1 48 LEU H 1 54 ASN HB3 . . 5.950 5.461 5.104 5.933 . 0 0 "[ . 1 . 2]" 1
90 1 48 LEU HA 1 48 LEU QD . . 3.210 2.222 2.131 2.308 . 0 0 "[ . 1 . 2]" 1
91 1 48 LEU HA 1 49 PRO QD . . 3.390 2.224 2.130 2.306 . 0 0 "[ . 1 . 2]" 1
92 1 48 LEU HA 1 49 PRO HG2 . . 4.680 4.641 4.549 4.717 0.037 11 0 "[ . 1 . 2]" 1
93 1 48 LEU HA 1 49 PRO QG . . 5.000 4.158 4.064 4.228 . 0 0 "[ . 1 . 2]" 1
94 1 48 LEU HB2 1 49 PRO HA . . 5.670 5.383 5.264 5.511 . 0 0 "[ . 1 . 2]" 1
95 1 48 LEU HB2 1 49 PRO QD . . 4.400 3.669 3.562 3.837 . 0 0 "[ . 1 . 2]" 1
96 1 48 LEU HB2 1 49 PRO QG . . 5.980 5.080 4.753 5.469 . 0 0 "[ . 1 . 2]" 1
97 1 48 LEU HB2 1 50 ASN H . . 3.990 3.206 2.864 3.671 . 0 0 "[ . 1 . 2]" 1
98 1 48 LEU HB2 1 50 ASN QD . . 5.500 3.814 2.942 5.024 . 0 0 "[ . 1 . 2]" 1
99 1 48 LEU HB2 1 51 GLY H . . 5.210 3.514 3.143 3.926 . 0 0 "[ . 1 . 2]" 1
100 1 48 LEU HB2 1 52 ASN H . . 4.420 2.947 2.312 3.496 . 0 0 "[ . 1 . 2]" 1
101 1 48 LEU HB2 1 52 ASN QB . . 4.850 3.143 2.791 3.634 . 0 0 "[ . 1 . 2]" 1
102 1 48 LEU HB3 1 50 ASN H . . 3.820 2.665 2.232 3.327 . 0 0 "[ . 1 . 2]" 1
103 1 48 LEU HB3 1 50 ASN HA . . 5.860 5.466 4.958 5.921 0.061 11 0 "[ . 1 . 2]" 1
104 1 48 LEU HB3 1 50 ASN QD . . 6.000 3.855 2.430 5.117 . 0 0 "[ . 1 . 2]" 1
105 1 48 LEU HB3 1 51 GLY H . . 4.520 4.097 3.815 4.692 0.172 11 0 "[ . 1 . 2]" 1
106 1 48 LEU HB3 1 52 ASN H . . 4.140 4.207 3.645 4.818 0.678 20 1 "[ . 1 . +]" 1
107 1 48 LEU HB3 1 52 ASN QB . . 5.280 4.251 3.914 4.767 . 0 0 "[ . 1 . 2]" 1
108 1 48 LEU QD 1 49 PRO HA . . 5.240 5.329 5.222 5.486 0.246 11 0 "[ . 1 . 2]" 1
109 1 48 LEU QD 1 49 PRO HB3 . . 5.330 5.423 5.210 5.698 0.368 11 0 "[ . 1 . 2]" 1
110 1 48 LEU QD 1 49 PRO QD . . 3.880 2.434 2.198 2.874 . 0 0 "[ . 1 . 2]" 1
111 1 48 LEU QD 1 49 PRO HG2 . . 4.980 4.134 3.787 4.697 . 0 0 "[ . 1 . 2]" 1
112 1 48 LEU QD 1 50 ASN H . . 4.660 3.893 3.498 4.427 . 0 0 "[ . 1 . 2]" 1
113 1 48 LEU QD 1 50 ASN QD . . 4.540 2.983 2.044 4.144 . 0 0 "[ . 1 . 2]" 1
114 1 48 LEU QD 1 52 ASN H . . 4.200 3.702 3.370 4.012 . 0 0 "[ . 1 . 2]" 1
115 1 48 LEU QD 1 52 ASN HA . . 5.090 4.423 4.131 4.717 . 0 0 "[ . 1 . 2]" 1
116 1 48 LEU QD 1 52 ASN QB . . 3.750 2.296 2.103 2.583 . 0 0 "[ . 1 . 2]" 1
117 1 48 LEU QD 1 52 ASN QD . . 4.920 3.493 1.937 4.610 . 0 0 "[ . 1 . 2]" 1
118 1 48 LEU QD 1 53 ILE HA . . 4.830 4.063 3.720 4.874 0.044 11 0 "[ . 1 . 2]" 1
119 1 48 LEU QD 1 53 ILE MG . . 4.930 4.660 4.423 5.478 0.548 11 1 "[ . 1+ . 2]" 1
120 1 48 LEU QD 1 54 ASN H . . 4.570 3.822 3.385 4.214 . 0 0 "[ . 1 . 2]" 1
121 1 48 LEU QD 1 54 ASN HA . . 3.520 2.459 2.221 3.611 0.091 11 0 "[ . 1 . 2]" 1
122 1 48 LEU QD 1 54 ASN HB2 . . 4.200 2.851 2.240 3.333 . 0 0 "[ . 1 . 2]" 1
123 1 48 LEU QD 1 54 ASN HB3 . . 4.140 3.967 3.369 4.369 0.229 6 0 "[ . 1 . 2]" 1
124 1 48 LEU QD 1 54 ASN HD21 . . 5.160 4.216 2.375 4.811 . 0 0 "[ . 1 . 2]" 1
125 1 48 LEU QD 1 54 ASN HD22 . . 4.810 3.961 2.688 4.496 . 0 0 "[ . 1 . 2]" 1
126 1 48 LEU QD 1 55 TRP H . . 4.820 3.546 3.170 5.265 0.445 11 0 "[ . 1 . 2]" 1
127 1 48 LEU MD1 1 50 ASN H . . 5.620 4.346 4.063 5.050 . 0 0 "[ . 1 . 2]" 1
128 1 48 LEU MD1 1 50 ASN QD . . 5.150 3.030 2.076 4.259 . 0 0 "[ . 1 . 2]" 1
129 1 48 LEU MD1 1 52 ASN QD . . 5.240 3.525 1.940 4.682 . 0 0 "[ . 1 . 2]" 1
130 1 48 LEU MD1 1 54 ASN HD21 . . 5.500 5.386 4.120 6.121 0.621 16 1 "[ . 1 .+ 2]" 1
131 1 48 LEU MD1 1 54 ASN HD22 . . 5.500 5.368 4.302 6.123 0.623 15 2 "[ . 1 +- 2]" 1
132 1 48 LEU MD1 1 55 TRP H . . 5.000 3.646 3.261 5.453 0.453 11 0 "[ . 1 . 2]" 1
133 1 48 LEU HG 1 49 PRO QD . . 4.060 4.192 3.943 4.569 0.509 11 1 "[ . 1+ . 2]" 1
134 1 48 LEU HG 1 50 ASN H . . 6.000 5.409 5.155 5.852 . 0 0 "[ . 1 . 2]" 1
135 1 48 LEU HG 1 50 ASN QD . . 4.760 5.454 4.479 6.928 2.168 3 12 "[*-+ . ********. * 2]" 1
136 1 48 LEU HG 1 51 GLY H . . 5.420 5.901 5.450 6.266 0.846 19 9 "[ ** -** 1* * . * +2]" 1
137 1 48 LEU HG 1 52 ASN H . . 6.000 5.234 4.753 5.899 . 0 0 "[ . 1 . 2]" 1
138 1 48 LEU HG 1 52 ASN HA . . 5.570 6.052 5.363 6.513 0.943 5 10 "[ ** +* 1 **-. ***2]" 1
139 1 48 LEU HG 1 52 ASN QB . . 3.490 4.374 3.592 4.710 1.220 17 18 "[*******-*1 *****+***]" 1
140 1 48 LEU HG 1 53 ILE H . . 5.150 5.164 4.640 5.658 0.508 5 1 "[ + 1 . 2]" 1
141 1 48 LEU HG 1 53 ILE HA . . 4.390 4.045 3.647 4.616 0.226 11 0 "[ . 1 . 2]" 1
142 1 48 LEU HG 1 53 ILE MG . . 5.880 5.133 4.839 5.895 0.015 11 0 "[ . 1 . 2]" 1
143 1 48 LEU HG 1 54 ASN HA . . 3.800 2.764 2.242 4.670 0.870 11 1 "[ . 1+ . 2]" 1
144 1 48 LEU HG 1 54 ASN HB2 . . 5.190 2.548 2.198 3.149 . 0 0 "[ . 1 . 2]" 1
145 1 48 LEU HG 1 54 ASN HB3 . . 4.810 4.092 3.491 4.579 . 0 0 "[ . 1 . 2]" 1
146 1 48 LEU HG 1 54 ASN HD21 . . 5.360 5.316 3.676 6.038 0.678 16 3 "[ . 1 *+ -]" 1
147 1 48 LEU HG 1 55 TRP H . . 5.980 4.795 4.313 6.776 0.796 11 1 "[ . 1+ . 2]" 1
148 1 49 PRO HA 1 50 ASN HA . . 5.080 4.645 4.373 4.763 . 0 0 "[ . 1 . 2]" 1
149 1 49 PRO HA 1 51 GLY H . . 4.480 3.706 3.349 3.912 . 0 0 "[ . 1 . 2]" 1
150 1 49 PRO HB2 1 50 ASN HA . . 6.000 4.657 4.259 5.063 . 0 0 "[ . 1 . 2]" 1
151 1 49 PRO HB3 1 50 ASN H . . 4.550 4.525 4.292 4.688 0.138 15 0 "[ . 1 . 2]" 1
152 1 49 PRO HB3 1 50 ASN HA . . 5.970 5.905 5.669 6.059 0.089 6 0 "[ . 1 . 2]" 1
153 1 49 PRO HB3 1 51 GLY H . . 6.000 5.712 5.355 6.007 0.007 6 0 "[ . 1 . 2]" 1
154 1 49 PRO QD 1 50 ASN H . . 4.680 3.118 2.816 3.784 . 0 0 "[ . 1 . 2]" 1
155 1 49 PRO QG 1 50 ASN H . . 4.430 3.117 2.588 4.160 . 0 0 "[ . 1 . 2]" 1
156 1 49 PRO HG2 1 50 ASN H . . 5.220 3.175 2.612 4.317 . 0 0 "[ . 1 . 2]" 1
157 1 50 ASN H 1 50 ASN HB3 . . 4.020 2.858 2.415 3.453 . 0 0 "[ . 1 . 2]" 1
158 1 50 ASN H 1 50 ASN QD . . 5.250 3.874 3.162 4.497 . 0 0 "[ . 1 . 2]" 1
159 1 50 ASN H 1 51 GLY H . . 3.780 2.424 1.668 2.911 . 0 0 "[ . 1 . 2]" 1
160 1 50 ASN H 1 51 GLY HA2 . . 5.380 4.747 4.034 5.213 . 0 0 "[ . 1 . 2]" 1
161 1 50 ASN H 1 52 ASN H . . 3.870 3.844 3.576 4.508 0.638 20 2 "[ . 1 . - +]" 1
162 1 50 ASN HA 1 51 GLY HA2 . . 6.000 4.987 4.828 5.089 . 0 0 "[ . 1 . 2]" 1
163 1 50 ASN HA 1 51 GLY HA3 . . 5.530 4.522 4.346 4.690 . 0 0 "[ . 1 . 2]" 1
164 1 50 ASN HA 1 52 ASN H . . 5.110 4.758 4.498 4.985 . 0 0 "[ . 1 . 2]" 1
165 1 50 ASN HB2 1 51 GLY H . . 4.310 4.423 4.103 4.574 0.264 1 0 "[ . 1 . 2]" 1
166 1 50 ASN HB2 1 52 ASN H . . 4.430 4.393 4.017 4.999 0.569 2 1 "[ + . 1 . 2]" 1
167 1 50 ASN HB3 1 51 GLY H . . 5.420 4.446 3.576 4.627 . 0 0 "[ . 1 . 2]" 1
168 1 50 ASN QD 1 52 ASN H . . 4.770 3.301 2.450 4.473 . 0 0 "[ . 1 . 2]" 1
169 1 50 ASN QD 1 52 ASN QB . . 4.810 2.713 2.079 3.882 . 0 0 "[ . 1 . 2]" 1
170 1 50 ASN QD 1 52 ASN QD . . 5.070 3.924 2.762 5.790 0.720 6 1 "[ .+ 1 . 2]" 1
171 1 51 GLY H 1 52 ASN QB . . 5.250 4.673 4.412 5.145 . 0 0 "[ . 1 . 2]" 1
172 1 51 GLY HA2 1 52 ASN HA . . 6.000 4.702 4.508 4.779 . 0 0 "[ . 1 . 2]" 1
173 1 51 GLY HA3 1 52 ASN HA . . 6.000 4.521 4.334 4.658 . 0 0 "[ . 1 . 2]" 1
174 1 52 ASN H 1 52 ASN QB . . 3.470 2.281 2.182 2.529 . 0 0 "[ . 1 . 2]" 1
175 1 52 ASN H 1 52 ASN QD . . 5.500 4.557 4.213 4.821 . 0 0 "[ . 1 . 2]" 1
176 1 52 ASN HA 1 52 ASN QD . . 4.100 3.846 3.204 4.158 0.058 20 0 "[ . 1 . 2]" 1
177 1 52 ASN HA 1 53 ILE H . . 3.460 2.532 2.132 2.834 . 0 0 "[ . 1 . 2]" 1
178 1 52 ASN HA 1 53 ILE HB . . 5.120 4.738 4.360 5.003 . 0 0 "[ . 1 . 2]" 1
179 1 52 ASN HA 1 53 ILE MD . . 6.000 4.656 4.226 4.995 . 0 0 "[ . 1 . 2]" 1
180 1 52 ASN HA 1 55 TRP HE1 . . 5.570 5.551 4.611 6.455 0.885 11 4 "[ * . -1+ . * 2]" 1
181 1 52 ASN QB 1 53 ILE H . . 3.910 3.103 2.534 3.382 . 0 0 "[ . 1 . 2]" 1
182 1 52 ASN QB 1 53 ILE HB . . 6.000 5.170 4.549 5.346 . 0 0 "[ . 1 . 2]" 1
183 1 52 ASN QB 1 53 ILE MG . . 6.000 5.690 5.331 5.842 . 0 0 "[ . 1 . 2]" 1
184 1 52 ASN QD 1 53 ILE HB . . 5.520 4.888 3.509 5.887 0.367 19 0 "[ . 1 . 2]" 1
185 1 52 ASN QD 1 53 ILE MD . . 5.500 5.530 4.720 6.329 0.829 19 3 "[ . * - . +2]" 1
186 1 52 ASN QD 1 53 ILE MG . . 6.000 5.695 4.406 6.669 0.669 19 1 "[ . 1 . +2]" 1
187 1 53 ILE H 1 53 ILE HB . . 3.550 2.426 2.275 2.739 . 0 0 "[ . 1 . 2]" 1
188 1 53 ILE H 1 53 ILE QG . . 5.070 2.570 2.256 2.863 . 0 0 "[ . 1 . 2]" 1
189 1 53 ILE H 1 53 ILE MG . . 4.470 3.804 3.720 3.935 . 0 0 "[ . 1 . 2]" 1
190 1 53 ILE HA 1 53 ILE MD . . 4.200 3.849 3.785 3.942 . 0 0 "[ . 1 . 2]" 1
191 1 53 ILE HA 1 53 ILE MG . . 3.680 2.467 2.328 2.634 . 0 0 "[ . 1 . 2]" 1
192 1 53 ILE HA 1 54 ASN H . . 3.530 2.348 2.123 3.501 . 0 0 "[ . 1 . 2]" 1
193 1 53 ILE HA 1 54 ASN HB2 . . 4.800 4.310 3.884 4.820 0.020 11 0 "[ . 1 . 2]" 1
194 1 53 ILE HA 1 54 ASN HB3 . . 5.220 4.755 4.587 4.987 . 0 0 "[ . 1 . 2]" 1
195 1 53 ILE HB 1 54 ASN H . . 4.480 3.987 2.971 4.208 . 0 0 "[ . 1 . 2]" 1
196 1 53 ILE HB 1 55 TRP H . . 4.990 4.617 4.170 5.169 0.179 11 0 "[ . 1 . 2]" 1
197 1 53 ILE HB 1 55 TRP HA . . 6.000 5.441 4.862 5.871 . 0 0 "[ . 1 . 2]" 1
198 1 53 ILE HB 1 55 TRP HE1 . . 4.910 3.758 2.820 4.788 . 0 0 "[ . 1 . 2]" 1
199 1 53 ILE HB 1 55 TRP HH2 . . 6.000 3.607 3.162 4.266 . 0 0 "[ . 1 . 2]" 1
200 1 53 ILE HB 1 55 TRP HZ2 . . 4.800 2.995 2.632 3.624 . 0 0 "[ . 1 . 2]" 1
201 1 53 ILE HB 1 76 PHE HB3 . . 6.000 4.787 4.341 5.201 . 0 0 "[ . 1 . 2]" 1
202 1 53 ILE HB 1 81 TYR QE . . 5.060 5.898 5.202 6.627 1.567 7 16 "[ *****+ ***** *** -*]" 1
203 1 53 ILE MD 1 53 ILE MG . . 3.640 2.138 2.050 2.425 . 0 0 "[ . 1 . 2]" 1
204 1 53 ILE MD 1 55 TRP HE1 . . 5.500 4.776 3.866 5.594 0.094 9 0 "[ . 1 . 2]" 1
205 1 53 ILE MD 1 55 TRP HE3 . . 5.950 5.136 4.546 5.752 . 0 0 "[ . 1 . 2]" 1
206 1 53 ILE MD 1 55 TRP HH2 . . 4.180 2.535 2.238 2.928 . 0 0 "[ . 1 . 2]" 1
207 1 53 ILE MD 1 55 TRP HZ2 . . 4.300 2.834 2.347 3.535 . 0 0 "[ . 1 . 2]" 1
208 1 53 ILE MD 1 55 TRP HZ3 . . 4.000 3.828 3.125 4.566 0.566 7 1 "[ . + 1 . 2]" 1
209 1 53 ILE MD 1 72 PHE QD . . 6.000 5.874 5.361 6.796 0.796 10 1 "[ . + . 2]" 1
210 1 53 ILE MD 1 73 LYS QD . . 5.500 5.522 4.581 6.926 1.426 9 5 "[ . +* .*- *2]" 1
211 1 53 ILE MD 1 76 PHE QD . . 4.830 2.375 2.080 3.497 . 0 0 "[ . 1 . 2]" 1
212 1 53 ILE MD 1 77 SER H . . 5.500 3.212 2.964 3.477 . 0 0 "[ . 1 . 2]" 1
213 1 53 ILE MD 1 77 SER HA . . 4.400 2.242 1.994 2.684 . 0 0 "[ . 1 . 2]" 1
214 1 53 ILE MD 1 77 SER QB . . 4.090 2.978 2.498 3.852 . 0 0 "[ . 1 . 2]" 1
215 1 53 ILE MD 1 80 HIS H . . 5.500 3.739 3.443 4.031 . 0 0 "[ . 1 . 2]" 1
216 1 53 ILE MD 1 80 HIS HA . . 5.830 4.898 4.429 5.412 . 0 0 "[ . 1 . 2]" 1
217 1 53 ILE MD 1 80 HIS QB . . 4.890 2.434 2.108 2.799 . 0 0 "[ . 1 . 2]" 1
218 1 53 ILE MD 1 81 TYR H . . 5.660 4.827 4.303 5.419 . 0 0 "[ . 1 . 2]" 1
219 1 53 ILE MD 1 81 TYR QD . . 5.060 4.354 3.336 5.281 0.221 17 0 "[ . 1 . 2]" 1
220 1 53 ILE MD 1 81 TYR QE . . 3.450 4.269 3.355 5.060 1.610 17 14 "[***** * *1 *- **+ **]" 1
221 1 53 ILE QG 1 54 ASN H . . 5.060 4.064 3.819 4.313 . 0 0 "[ . 1 . 2]" 1
222 1 53 ILE QG 1 60 LEU QD . . 5.020 4.027 3.411 4.627 . 0 0 "[ . 1 . 2]" 1
223 1 53 ILE QG 1 60 LEU HG . . 5.750 6.099 5.315 7.066 1.316 6 7 "[ * *.+ ** . * -2]" 1
224 1 53 ILE QG 1 76 PHE QD . . 5.500 3.880 2.590 4.913 . 0 0 "[ . 1 . 2]" 1
225 1 53 ILE QG 1 81 TYR QE . . 5.190 3.953 3.247 4.845 . 0 0 "[ . 1 . 2]" 1
226 1 53 ILE MG 1 54 ASN H . . 4.240 2.533 2.259 3.799 . 0 0 "[ . 1 . 2]" 1
227 1 53 ILE MG 1 54 ASN HA . . 5.350 4.190 3.950 4.966 . 0 0 "[ . 1 . 2]" 1
228 1 53 ILE MG 1 54 ASN HB2 . . 5.350 4.499 4.202 5.187 . 0 0 "[ . 1 . 2]" 1
229 1 53 ILE MG 1 54 ASN HB3 . . 5.160 4.023 3.787 4.441 . 0 0 "[ . 1 . 2]" 1
230 1 53 ILE MG 1 55 TRP H . . 4.950 3.797 3.118 4.767 . 0 0 "[ . 1 . 2]" 1
231 1 53 ILE MG 1 55 TRP HA . . 4.540 3.821 2.860 4.620 0.080 10 0 "[ . 1 . 2]" 1
232 1 53 ILE MG 1 55 TRP HE1 . . 5.500 4.820 4.018 5.552 0.052 9 0 "[ . 1 . 2]" 1
233 1 53 ILE MG 1 55 TRP HE3 . . 4.460 3.270 2.860 3.875 . 0 0 "[ . 1 . 2]" 1
234 1 53 ILE MG 1 55 TRP HH2 . . 4.900 3.240 2.650 3.753 . 0 0 "[ . 1 . 2]" 1
235 1 53 ILE MG 1 55 TRP HZ2 . . 4.330 3.979 3.457 4.551 0.221 18 0 "[ . 1 . 2]" 1
236 1 53 ILE MG 1 56 ASN H . . 5.500 5.442 4.776 6.305 0.805 9 2 "[ . +- . 2]" 1
237 1 53 ILE MG 1 60 LEU HG . . 4.130 3.145 2.661 4.068 . 0 0 "[ . 1 . 2]" 1
238 1 53 ILE MG 1 72 PHE QD . . 5.550 5.654 5.270 6.141 0.591 10 2 "[ .- + . 2]" 1
239 1 53 ILE MG 1 73 LYS QE . . 5.760 6.118 5.025 7.237 1.477 17 8 "[** *. -* * .*+ 2]" 1
240 1 53 ILE MG 1 76 PHE QD . . 4.750 3.209 2.268 4.191 . 0 0 "[ . 1 . 2]" 1
241 1 53 ILE MG 1 77 SER HA . . 6.000 5.197 4.838 5.540 . 0 0 "[ . 1 . 2]" 1
242 1 53 ILE MG 1 81 TYR QE . . 5.780 6.357 5.815 6.994 1.214 7 12 "[ **** + *1 *- *** *]" 1
243 1 54 ASN H 1 54 ASN HD22 . . 5.950 5.881 5.749 6.452 0.502 10 1 "[ . + . 2]" 1
244 1 54 ASN H 1 55 TRP H . . 4.780 3.897 2.909 4.260 . 0 0 "[ . 1 . 2]" 1
245 1 54 ASN HA 1 54 ASN HD22 . . 4.960 4.273 3.691 4.708 . 0 0 "[ . 1 . 2]" 1
246 1 54 ASN HA 1 55 TRP H . . 3.460 2.326 2.151 2.467 . 0 0 "[ . 1 . 2]" 1
247 1 54 ASN HA 1 55 TRP QB . . 6.000 4.512 4.414 4.652 . 0 0 "[ . 1 . 2]" 1
248 1 54 ASN HA 1 55 TRP HD1 . . 5.050 5.133 4.522 5.679 0.629 4 3 "[ +. *- . 2]" 1
249 1 54 ASN HB3 1 55 TRP H . . 4.710 4.520 4.488 4.570 . 0 0 "[ . 1 . 2]" 1
250 1 54 ASN HB3 1 57 CYS H . . 4.920 4.212 3.754 4.982 0.062 9 0 "[ . 1 . 2]" 1
251 1 54 ASN HD21 1 55 TRP H . . 5.500 4.937 3.393 6.380 0.880 10 2 "[ . - + . 2]" 1
252 1 54 ASN HD21 1 57 CYS QB . . 5.030 3.499 2.048 4.745 . 0 0 "[ . 1 . 2]" 1
253 1 54 ASN HD22 1 56 ASN HB2 . . 5.200 3.890 2.362 5.738 0.538 9 1 "[ . +1 . 2]" 1
254 1 54 ASN HD22 1 57 CYS QB . . 5.370 4.569 3.502 5.130 . 0 0 "[ . 1 . 2]" 1
255 1 55 TRP H 1 55 TRP QB . . 3.810 2.515 2.438 2.644 . 0 0 "[ . 1 . 2]" 1
256 1 55 TRP H 1 55 TRP HD1 . . 3.920 3.258 2.850 3.675 . 0 0 "[ . 1 . 2]" 1
257 1 55 TRP H 1 55 TRP HE1 . . 5.430 4.655 4.276 4.924 . 0 0 "[ . 1 . 2]" 1
258 1 55 TRP H 1 56 ASN HB2 . . 5.130 4.914 4.370 5.402 0.272 4 0 "[ . 1 . 2]" 1
259 1 55 TRP HA 1 55 TRP HD1 . . 4.900 4.700 4.573 4.810 . 0 0 "[ . 1 . 2]" 1
260 1 55 TRP HA 1 55 TRP HE3 . . 3.280 2.323 2.091 2.614 . 0 0 "[ . 1 . 2]" 1
261 1 55 TRP HA 1 55 TRP HZ3 . . 4.780 4.697 4.484 4.978 0.198 3 0 "[ . 1 . 2]" 1
262 1 55 TRP HA 1 56 ASN HB2 . . 5.570 5.345 4.679 5.758 0.188 4 0 "[ . 1 . 2]" 1
263 1 55 TRP HA 1 57 CYS H . . 3.760 3.702 3.204 4.245 0.485 7 0 "[ . 1 . 2]" 1
264 1 55 TRP HA 1 60 LEU HG . . 4.200 3.746 3.212 4.396 0.196 14 0 "[ . 1 . 2]" 1
265 1 55 TRP QB 1 55 TRP HD1 . . 3.620 2.451 2.400 2.501 . 0 0 "[ . 1 . 2]" 1
266 1 55 TRP QB 1 56 ASN H . . 4.770 3.548 2.276 3.951 . 0 0 "[ . 1 . 2]" 1
267 1 55 TRP QB 1 57 CYS H . . 5.210 4.964 4.359 5.526 0.316 1 0 "[ . 1 . 2]" 1
268 1 55 TRP QB 1 64 ALA MB . . 4.050 2.928 2.479 3.449 . 0 0 "[ . 1 . 2]" 1
269 1 55 TRP QB 1 73 LYS QE . . 5.630 3.239 2.057 5.040 . 0 0 "[ . 1 . 2]" 1
270 1 55 TRP HD1 1 64 ALA MB . . 4.560 5.119 4.591 5.632 1.072 18 12 "[ * *-** 1 **** +**]" 1
271 1 55 TRP HD1 1 73 LYS QD . . 5.820 3.890 3.256 4.782 . 0 0 "[ . 1 . 2]" 1
272 1 55 TRP HD1 1 73 LYS QE . . 5.260 3.839 2.792 5.592 0.332 17 0 "[ . 1 . 2]" 1
273 1 55 TRP HE1 1 64 ALA MB . . 6.000 5.357 4.788 5.790 . 0 0 "[ . 1 . 2]" 1
274 1 55 TRP HE1 1 73 LYS HB3 . . 6.000 4.529 3.689 5.408 . 0 0 "[ . 1 . 2]" 1
275 1 55 TRP HE1 1 73 LYS QD . . 6.000 3.281 2.742 3.990 . 0 0 "[ . 1 . 2]" 1
276 1 55 TRP HE1 1 73 LYS QG . . 6.000 4.630 3.612 5.587 . 0 0 "[ . 1 . 2]" 1
277 1 55 TRP HE3 1 60 LEU QB . . 5.040 4.804 3.963 5.605 0.565 20 2 "[ . 1 - . +]" 1
278 1 55 TRP HE3 1 60 LEU QD . . 5.500 3.498 2.765 4.045 . 0 0 "[ . 1 . 2]" 1
279 1 55 TRP HE3 1 60 LEU HG . . 5.000 3.076 2.330 3.806 . 0 0 "[ . 1 . 2]" 1
280 1 55 TRP HE3 1 64 ALA MB . . 4.260 2.383 2.170 2.681 . 0 0 "[ . 1 . 2]" 1
281 1 55 TRP HE3 1 73 LYS QD . . 6.000 4.417 3.340 6.472 0.472 16 0 "[ . 1 . 2]" 1
282 1 55 TRP HE3 1 73 LYS QE . . 5.250 4.628 3.327 6.339 1.089 13 4 "[ * -. 1 + . * 2]" 1
283 1 55 TRP HH2 1 73 LYS H . . 5.350 5.107 4.783 5.347 . 0 0 "[ . 1 . 2]" 1
284 1 55 TRP HH2 1 76 PHE H . . 5.250 4.077 3.575 4.603 . 0 0 "[ . 1 . 2]" 1
285 1 55 TRP HH2 1 76 PHE HB2 . . 5.590 3.149 2.343 4.192 . 0 0 "[ . 1 . 2]" 1
286 1 55 TRP HH2 1 77 SER H . . 4.250 3.491 2.853 4.308 0.058 1 0 "[ . 1 . 2]" 1
287 1 55 TRP HH2 1 77 SER HA . . 6.000 4.710 3.954 5.671 . 0 0 "[ . 1 . 2]" 1
288 1 55 TRP HH2 1 77 SER QB . . 5.180 3.983 2.959 4.970 . 0 0 "[ . 1 . 2]" 1
289 1 55 TRP HZ2 1 73 LYS HA . . 4.360 3.078 2.658 3.757 . 0 0 "[ . 1 . 2]" 1
290 1 55 TRP HZ2 1 73 LYS HB2 . . 4.790 5.086 4.599 5.582 0.792 15 6 "[ .* * 1 *+ * -]" 1
291 1 55 TRP HZ2 1 73 LYS HB3 . . 4.380 3.576 2.964 4.318 . 0 0 "[ . 1 . 2]" 1
292 1 55 TRP HZ2 1 73 LYS QD . . 4.410 3.632 2.930 4.583 0.173 9 0 "[ . 1 . 2]" 1
293 1 55 TRP HZ2 1 73 LYS QE . . 5.690 5.140 4.367 5.835 0.145 2 0 "[ . 1 . 2]" 1
294 1 55 TRP HZ2 1 77 SER HA . . 4.920 4.422 3.986 4.956 0.036 18 0 "[ . 1 . 2]" 1
295 1 55 TRP HZ2 1 77 SER QB . . 4.590 2.955 2.227 4.142 . 0 0 "[ . 1 . 2]" 1
296 1 55 TRP HZ3 1 60 LEU HA . . 6.000 5.143 4.253 6.178 0.178 12 0 "[ . 1 . 2]" 1
297 1 55 TRP HZ3 1 60 LEU QB . . 6.000 5.216 4.509 6.074 0.074 20 0 "[ . 1 . 2]" 1
298 1 55 TRP HZ3 1 60 LEU QD . . 4.660 2.767 2.208 3.516 . 0 0 "[ . 1 . 2]" 1
299 1 55 TRP HZ3 1 60 LEU HG . . 4.620 3.387 2.576 4.258 . 0 0 "[ . 1 . 2]" 1
300 1 55 TRP HZ3 1 64 ALA MB . . 5.120 2.890 2.439 3.410 . 0 0 "[ . 1 . 2]" 1
301 1 55 TRP HZ3 1 72 PHE QD . . 5.390 3.410 2.592 4.574 . 0 0 "[ . 1 . 2]" 1
302 1 55 TRP HZ3 1 73 LYS HA . . 4.460 3.767 3.109 4.258 . 0 0 "[ . 1 . 2]" 1
303 1 55 TRP HZ3 1 73 LYS QD . . 4.780 4.862 3.548 6.720 1.940 16 8 "[ * . *** - .+* *2]" 1
304 1 55 TRP HZ3 1 73 LYS QG . . 5.810 4.430 3.675 5.297 . 0 0 "[ . 1 . 2]" 1
305 1 55 TRP HZ3 1 76 PHE HB3 . . 6.000 3.730 2.859 4.482 . 0 0 "[ . 1 . 2]" 1
306 1 56 ASN H 1 56 ASN HB2 . . 3.490 2.603 2.153 3.259 . 0 0 "[ . 1 . 2]" 1
307 1 56 ASN H 1 57 CYS QB . . 5.230 4.279 3.469 4.715 . 0 0 "[ . 1 . 2]" 1
308 1 56 ASN H 1 60 LEU HG . . 5.350 5.907 4.663 7.043 1.693 14 12 "[ ***.* * * +***- *]" 1
309 1 56 ASN H 1 64 ALA MB . . 6.000 5.822 3.312 6.541 0.541 18 1 "[ . 1 . + 2]" 1
310 1 56 ASN HA 1 56 ASN HD21 . . 3.540 2.677 2.204 3.100 . 0 0 "[ . 1 . 2]" 1
311 1 56 ASN HA 1 56 ASN HD22 . . 3.650 3.641 3.418 3.955 0.305 4 0 "[ . 1 . 2]" 1
312 1 56 ASN HA 1 57 CYS H . . 3.230 3.362 3.006 3.520 0.290 11 0 "[ . 1 . 2]" 1
313 1 56 ASN HA 1 62 GLY QA . . 5.590 6.393 5.321 7.694 2.104 6 14 "[****.+ ** *-** ***]" 1
314 1 56 ASN HB2 1 57 CYS H . . 4.810 4.083 3.349 4.430 . 0 0 "[ . 1 . 2]" 1
315 1 56 ASN HB3 1 57 CYS H . . 5.150 3.785 3.258 4.466 . 0 0 "[ . 1 . 2]" 1
316 1 57 CYS H 1 57 CYS QB . . 3.600 2.264 2.020 2.488 . 0 0 "[ . 1 . 2]" 1
317 1 57 CYS H 1 58 PRO QD . . 4.310 4.487 4.405 4.550 0.240 3 0 "[ . 1 . 2]" 1
318 1 57 CYS H 1 60 LEU QB . . 5.300 4.144 3.251 4.824 . 0 0 "[ . 1 . 2]" 1
319 1 57 CYS H 1 60 LEU QD . . 5.630 4.345 3.540 5.160 . 0 0 "[ . 1 . 2]" 1
320 1 57 CYS H 1 60 LEU HG . . 4.220 5.103 4.089 6.237 2.017 14 16 "[****.*****-* +.*** *]" 1
321 1 57 CYS HA 1 58 PRO QD . . 3.540 2.186 2.080 2.408 . 0 0 "[ . 1 . 2]" 1
322 1 57 CYS QB 1 58 PRO QD . . 3.710 2.484 2.117 2.955 . 0 0 "[ . 1 . 2]" 1
323 1 57 CYS QB 1 60 LEU QB . . 5.200 2.315 2.029 3.308 . 0 0 "[ . 1 . 2]" 1
324 1 57 CYS QB 1 60 LEU QD . . 5.790 2.998 2.298 3.973 . 0 0 "[ . 1 . 2]" 1
325 1 57 CYS QB 1 60 LEU HG . . 4.190 3.984 2.796 4.967 0.777 14 3 "[* . -1 +. 2]" 1
326 1 59 CYS HA 1 61 GLY H . . 4.700 4.476 3.947 4.856 0.156 12 0 "[ . 1 . 2]" 1
327 1 60 LEU H 1 60 LEU QD . . 4.890 3.658 3.535 3.749 . 0 0 "[ . 1 . 2]" 1
328 1 60 LEU H 1 60 LEU HG . . 4.430 4.474 4.391 4.557 0.127 6 0 "[ . 1 . 2]" 1
329 1 60 LEU H 1 61 GLY H . . 4.620 2.883 2.632 3.099 . 0 0 "[ . 1 . 2]" 1
330 1 60 LEU H 1 61 GLY HA3 . . 5.530 5.191 4.916 5.414 . 0 0 "[ . 1 . 2]" 1
331 1 60 LEU HA 1 60 LEU QD . . 4.020 2.197 2.096 2.358 . 0 0 "[ . 1 . 2]" 1
332 1 60 LEU HA 1 60 LEU HG . . 4.250 3.188 2.922 3.418 . 0 0 "[ . 1 . 2]" 1
333 1 60 LEU HA 1 72 PHE QD . . 5.180 5.409 4.388 6.196 1.016 9 5 "[ * .- +1 * . *]" 1
334 1 60 LEU HA 1 72 PHE QE . . 4.490 3.466 2.562 4.984 0.494 9 0 "[ . 1 . 2]" 1
335 1 60 LEU QB 1 61 GLY H . . 4.770 2.821 2.519 3.311 . 0 0 "[ . 1 . 2]" 1
336 1 60 LEU QB 1 63 MET H . . 5.630 5.291 4.963 5.711 0.081 7 0 "[ . 1 . 2]" 1
337 1 60 LEU QB 1 72 PHE QE . . 4.600 4.659 4.155 5.316 0.716 9 1 "[ . +1 . 2]" 1
338 1 60 LEU QD 1 61 GLY H . . 6.000 4.090 3.831 4.299 . 0 0 "[ . 1 . 2]" 1
339 1 60 LEU QD 1 64 ALA MB . . 4.580 3.815 3.160 4.303 . 0 0 "[ . 1 . 2]" 1
340 1 60 LEU QD 1 72 PHE QD . . 5.160 4.080 3.466 4.355 . 0 0 "[ . 1 . 2]" 1
341 1 60 LEU QD 1 72 PHE QE . . 4.680 2.251 2.032 2.438 . 0 0 "[ . 1 . 2]" 1
342 1 60 LEU QD 1 72 PHE HZ . . 5.180 2.580 2.214 3.376 . 0 0 "[ . 1 . 2]" 1
343 1 60 LEU QD 1 76 PHE QE . . 5.740 2.989 2.131 4.113 . 0 0 "[ . 1 . 2]" 1
344 1 60 LEU HG 1 61 GLY H . . 5.300 4.036 3.674 4.389 . 0 0 "[ . 1 . 2]" 1
345 1 60 LEU HG 1 64 ALA MB . . 5.050 4.088 3.013 4.858 . 0 0 "[ . 1 . 2]" 1
346 1 60 LEU HG 1 72 PHE QD . . 5.400 5.530 4.634 6.089 0.689 7 4 "[ * +- 1 * . 2]" 1
347 1 60 LEU HG 1 72 PHE QE . . 4.130 3.808 2.918 4.533 0.403 15 0 "[ . 1 . 2]" 1
348 1 60 LEU HG 1 76 PHE QE . . 5.290 5.633 4.423 7.218 1.928 5 7 "[-* +* 1* * *2]" 1
349 1 61 GLY H 1 62 GLY H . . 4.780 2.515 2.357 2.766 . 0 0 "[ . 1 . 2]" 1
350 1 61 GLY HA2 1 64 ALA H . . 5.320 3.405 3.066 3.682 . 0 0 "[ . 1 . 2]" 1
351 1 61 GLY HA3 1 63 MET H . . 5.660 4.921 4.598 5.139 . 0 0 "[ . 1 . 2]" 1
352 1 61 GLY HA3 1 64 ALA H . . 5.860 4.585 4.355 4.858 . 0 0 "[ . 1 . 2]" 1
353 1 62 GLY H 1 63 MET H . . 4.600 2.644 2.336 2.872 . 0 0 "[ . 1 . 2]" 1
354 1 63 MET H 1 63 MET HB3 . . 4.090 3.318 2.564 3.651 . 0 0 "[ . 1 . 2]" 1
355 1 63 MET H 1 63 MET QG . . 4.590 2.762 2.064 4.049 . 0 0 "[ . 1 . 2]" 1
356 1 63 MET H 1 64 ALA H . . 5.000 2.782 2.648 2.948 . 0 0 "[ . 1 . 2]" 1
357 1 63 MET HA 1 64 ALA HA . . 5.200 4.709 4.599 4.764 . 0 0 "[ . 1 . 2]" 1
358 1 63 MET HA 1 72 PHE QD . . 5.600 4.857 4.481 5.592 . 0 0 "[ . 1 . 2]" 1
359 1 63 MET HA 1 72 PHE QE . . 5.090 5.149 4.828 5.542 0.452 12 0 "[ . 1 . 2]" 1
360 1 63 MET HB2 1 64 ALA H . . 5.400 3.350 2.729 4.220 . 0 0 "[ . 1 . 2]" 1
361 1 63 MET HB2 1 72 PHE QD . . 4.530 4.226 3.420 5.128 0.598 14 3 "[ . * 1- +. 2]" 1
362 1 63 MET HB2 1 72 PHE QE . . 5.400 3.371 2.241 4.348 . 0 0 "[ . 1 . 2]" 1
363 1 63 MET HB3 1 72 PHE QD . . 4.580 3.515 3.048 4.379 . 0 0 "[ . 1 . 2]" 1
364 1 63 MET HB3 1 72 PHE QE . . 5.120 3.079 2.414 3.997 . 0 0 "[ . 1 . 2]" 1
365 1 63 MET QG 1 64 ALA H . . 4.520 4.242 3.850 4.476 . 0 0 "[ . 1 . 2]" 1
366 1 63 MET QG 1 72 PHE QD . . 4.650 4.404 2.825 5.807 1.157 12 4 "[ . **1 + . -]" 1
367 1 64 ALA H 1 64 ALA MB . . 3.660 2.239 2.182 2.352 . 0 0 "[ . 1 . 2]" 1
368 1 64 ALA H 1 65 SER H . . 3.240 2.687 2.243 3.006 . 0 0 "[ . 1 . 2]" 1
369 1 64 ALA H 1 65 SER QB . . 5.370 4.312 3.893 4.727 . 0 0 "[ . 1 . 2]" 1
370 1 64 ALA HA 1 69 GLY HA2 . . 4.850 2.832 2.435 3.368 . 0 0 "[ . 1 . 2]" 1
371 1 64 ALA HA 1 69 GLY HA3 . . 4.820 3.498 2.871 4.223 . 0 0 "[ . 1 . 2]" 1
372 1 64 ALA HA 1 72 PHE HB2 . . 4.940 4.226 3.740 4.970 0.030 2 0 "[ . 1 . 2]" 1
373 1 64 ALA HA 1 72 PHE HB3 . . 5.280 2.700 2.168 3.293 . 0 0 "[ . 1 . 2]" 1
374 1 64 ALA HA 1 72 PHE QD . . 4.750 2.523 2.192 3.288 . 0 0 "[ . 1 . 2]" 1
375 1 64 ALA HA 1 72 PHE QE . . 5.110 4.435 4.010 5.197 0.087 15 0 "[ . 1 . 2]" 1
376 1 64 ALA HA 1 73 LYS QG . . 6.000 3.160 2.416 3.924 . 0 0 "[ . 1 . 2]" 1
377 1 64 ALA MB 1 65 SER H . . 4.020 3.432 2.918 3.664 . 0 0 "[ . 1 . 2]" 1
378 1 64 ALA MB 1 65 SER HA . . 5.420 4.232 4.116 4.432 . 0 0 "[ . 1 . 2]" 1
379 1 64 ALA MB 1 65 SER QB . . 5.280 4.417 3.867 4.882 . 0 0 "[ . 1 . 2]" 1
380 1 64 ALA MB 1 69 GLY HA3 . . 4.710 4.396 4.012 4.797 0.087 6 0 "[ . 1 . 2]" 1
381 1 64 ALA MB 1 72 PHE HB3 . . 4.210 3.839 3.161 4.562 0.352 2 0 "[ . 1 . 2]" 1
382 1 64 ALA MB 1 72 PHE QD . . 3.850 2.501 2.231 3.291 . 0 0 "[ . 1 . 2]" 1
383 1 64 ALA MB 1 72 PHE QE . . 4.530 3.175 2.609 4.275 . 0 0 "[ . 1 . 2]" 1
384 1 64 ALA MB 1 73 LYS H . . 3.930 4.025 3.472 4.344 0.414 2 0 "[ . 1 . 2]" 1
385 1 64 ALA MB 1 73 LYS HA . . 5.390 3.758 3.121 4.126 . 0 0 "[ . 1 . 2]" 1
386 1 64 ALA MB 1 73 LYS QE . . 3.960 2.551 1.913 4.049 0.089 13 0 "[ . 1 . 2]" 1
387 1 64 ALA MB 1 73 LYS QG . . 5.000 2.340 2.104 2.808 . 0 0 "[ . 1 . 2]" 1
388 1 65 SER H 1 65 SER HB2 . . 2.860 2.595 2.387 2.912 0.052 7 0 "[ . 1 . 2]" 1
389 1 65 SER H 1 65 SER QB . . 3.360 2.440 2.278 2.740 . 0 0 "[ . 1 . 2]" 1
390 1 65 SER HA 1 66 GLY H . . 3.530 2.517 2.138 3.142 . 0 0 "[ . 1 . 2]" 1
391 1 65 SER HA 1 69 GLY HA2 . . 6.000 4.811 3.366 5.646 . 0 0 "[ . 1 . 2]" 1
392 1 65 SER HA 1 69 GLY HA3 . . 6.000 3.555 2.414 4.151 . 0 0 "[ . 1 . 2]" 1
393 1 65 SER QB 1 66 GLY QA . . 4.290 3.768 3.469 4.448 0.158 1 0 "[ . 1 . 2]" 1
394 1 65 SER HB2 1 66 GLY H . . 4.850 3.687 3.023 4.471 . 0 0 "[ . 1 . 2]" 1
395 1 66 GLY H 1 67 PRO HD3 . . 5.500 5.000 4.811 5.310 . 0 0 "[ . 1 . 2]" 1
396 1 66 GLY QA 1 67 PRO HD2 . . 3.610 2.190 2.124 2.295 . 0 0 "[ . 1 . 2]" 1
397 1 66 GLY QA 1 67 PRO HD3 . . 3.620 2.520 2.434 2.648 . 0 0 "[ . 1 . 2]" 1
398 1 66 GLY QA 1 67 PRO QG . . 4.450 3.794 3.752 3.831 . 0 0 "[ . 1 . 2]" 1
399 1 66 GLY QA 1 68 CYS H . . 5.120 3.927 3.541 4.594 . 0 0 "[ . 1 . 2]" 1
400 1 66 GLY QA 1 69 GLY H . . 4.550 3.798 3.332 4.026 . 0 0 "[ . 1 . 2]" 1
401 1 66 GLY QA 1 108 LEU QD . . 6.000 5.404 4.693 5.865 . 0 0 "[ . 1 . 2]" 1
402 1 66 GLY QA 1 109 TYR QE . . 5.370 4.713 3.552 5.867 0.497 16 0 "[ . 1 . 2]" 1
403 1 67 PRO HA 1 68 CYS HA . . 4.810 4.740 4.575 4.860 0.050 7 0 "[ . 1 . 2]" 1
404 1 67 PRO HA 1 69 GLY H . . 4.520 3.908 3.591 4.334 . 0 0 "[ . 1 . 2]" 1
405 1 67 PRO HA 1 105 TYR QD . . 5.640 5.899 4.958 6.728 1.088 5 5 "[ *+-* 1 . * 2]" 1
406 1 67 PRO HA 1 105 TYR QE . . 4.520 5.488 4.636 6.980 2.460 5 16 "[****+** ** -***** *2]" 1
407 1 67 PRO QB 1 69 GLY H . . 5.800 4.700 4.513 4.917 . 0 0 "[ . 1 . 2]" 1
408 1 67 PRO QB 1 105 TYR QD . . 5.010 3.485 2.641 4.257 . 0 0 "[ . 1 . 2]" 1
409 1 67 PRO QB 1 105 TYR QE . . 3.800 2.891 2.281 4.345 0.545 5 1 "[ + 1 . 2]" 1
410 1 67 PRO QB 1 108 LEU QD . . 5.590 4.469 3.432 5.186 . 0 0 "[ . 1 . 2]" 1
411 1 67 PRO QB 1 109 TYR QD . . 5.070 4.812 4.069 5.553 0.483 7 0 "[ . 1 . 2]" 1
412 1 67 PRO QB 1 109 TYR QE . . 5.970 5.064 4.241 6.124 0.154 7 0 "[ . 1 . 2]" 1
413 1 67 PRO HD2 1 68 CYS H . . 4.590 2.972 2.591 3.219 . 0 0 "[ . 1 . 2]" 1
414 1 67 PRO HD2 1 108 LEU QD . . 5.030 4.547 3.694 5.202 0.172 17 0 "[ . 1 . 2]" 1
415 1 67 PRO HD3 1 68 CYS H . . 4.480 4.071 3.809 4.201 . 0 0 "[ . 1 . 2]" 1
416 1 67 PRO HD3 1 108 LEU QD . . 4.490 4.475 3.595 5.113 0.623 5 2 "[ + 1 - 2]" 1
417 1 67 PRO QG 1 68 CYS H . . 4.470 2.182 1.864 2.857 . 0 0 "[ . 1 . 2]" 1
418 1 67 PRO QG 1 69 GLY H . . 6.000 4.539 4.099 4.918 . 0 0 "[ . 1 . 2]" 1
419 1 67 PRO QG 1 105 TYR QE . . 5.020 3.488 2.599 4.709 . 0 0 "[ . 1 . 2]" 1
420 1 67 PRO QG 1 109 TYR HB3 . . 4.940 4.532 2.711 5.806 0.866 2 3 "[-+ . 1 . *2]" 1
421 1 67 PRO QG 1 109 TYR QD . . 4.210 2.972 2.198 3.642 . 0 0 "[ . 1 . 2]" 1
422 1 67 PRO QG 1 109 TYR QE . . 3.690 3.095 2.175 4.141 0.451 7 0 "[ . 1 . 2]" 1
423 1 68 CYS H 1 69 GLY H . . 3.370 2.782 2.362 3.005 . 0 0 "[ . 1 . 2]" 1
424 1 68 CYS H 1 69 GLY HA3 . . 4.870 5.007 4.496 5.326 0.456 2 0 "[ . 1 . 2]" 1
425 1 68 CYS H 1 70 GLU H . . 5.820 5.114 4.610 5.472 . 0 0 "[ . 1 . 2]" 1
426 1 68 CYS HA 1 69 GLY HA3 . . 6.000 5.237 5.090 5.307 . 0 0 "[ . 1 . 2]" 1
427 1 68 CYS HA 1 70 GLU H . . 4.270 4.046 3.653 4.683 0.413 5 0 "[ . 1 . 2]" 1
428 1 68 CYS HA 1 71 GLN H . . 4.680 3.619 3.284 3.914 . 0 0 "[ . 1 . 2]" 1
429 1 68 CYS HA 1 71 GLN HB2 . . 4.820 3.959 3.476 4.503 . 0 0 "[ . 1 . 2]" 1
430 1 68 CYS HA 1 71 GLN QE . . 5.410 4.408 3.782 5.444 0.034 7 0 "[ . 1 . 2]" 1
431 1 68 CYS HA 1 71 GLN QG . . 5.870 2.870 2.475 3.638 . 0 0 "[ . 1 . 2]" 1
432 1 68 CYS HA 1 71 GLN HG3 . . 5.100 3.824 3.412 4.730 . 0 0 "[ . 1 . 2]" 1
433 1 68 CYS HA 1 101 CYS QB . . 5.390 3.678 3.346 3.879 . 0 0 "[ . 1 . 2]" 1
434 1 68 CYS HA 1 102 MET HG2 . . 6.000 5.633 4.992 6.389 0.389 7 0 "[ . 1 . 2]" 1
435 1 68 CYS QB 1 69 GLY H . . 4.900 3.331 3.070 3.690 . 0 0 "[ . 1 . 2]" 1
436 1 68 CYS QB 1 70 GLU H . . 6.000 5.003 4.713 5.590 . 0 0 "[ . 1 . 2]" 1
437 1 68 CYS QB 1 71 GLN QE . . 4.030 5.576 4.874 6.475 2.445 7 20 [****-*+*************] 1
438 1 68 CYS QB 1 71 GLN HG2 . . 5.340 3.998 3.439 4.767 . 0 0 "[ . 1 . 2]" 1
439 1 68 CYS QB 1 71 GLN QG . . 4.780 3.620 3.165 4.396 . 0 0 "[ . 1 . 2]" 1
440 1 69 GLY H 1 70 GLU H . . 3.400 2.978 2.754 3.163 . 0 0 "[ . 1 . 2]" 1
441 1 69 GLY H 1 70 GLU QB . . 6.000 5.097 4.466 5.437 . 0 0 "[ . 1 . 2]" 1
442 1 69 GLY HA2 1 71 GLN H . . 5.360 4.049 3.759 4.305 . 0 0 "[ . 1 . 2]" 1
443 1 69 GLY HA2 1 72 PHE H . . 6.000 3.373 3.040 3.678 . 0 0 "[ . 1 . 2]" 1
444 1 69 GLY HA2 1 72 PHE HB2 . . 5.860 3.686 3.096 4.507 . 0 0 "[ . 1 . 2]" 1
445 1 69 GLY HA3 1 70 GLU QG . . 6.000 5.061 4.552 5.791 . 0 0 "[ . 1 . 2]" 1
446 1 69 GLY HA3 1 71 GLN H . . 5.000 4.609 4.397 4.754 . 0 0 "[ . 1 . 2]" 1
447 1 69 GLY HA3 1 72 PHE HB3 . . 5.520 4.362 3.845 5.208 . 0 0 "[ . 1 . 2]" 1
448 1 69 GLY HA3 1 72 PHE QD . . 5.910 5.532 4.918 6.402 0.492 18 0 "[ . 1 . 2]" 1
449 1 70 GLU H 1 70 GLU QB . . 3.350 2.499 2.151 2.756 . 0 0 "[ . 1 . 2]" 1
450 1 70 GLU H 1 70 GLU QG . . 3.680 2.506 2.053 3.876 0.196 10 0 "[ . 1 . 2]" 1
451 1 70 GLU H 1 71 GLN H . . 3.390 2.778 2.590 3.168 . 0 0 "[ . 1 . 2]" 1
452 1 70 GLU H 1 71 GLN HA . . 5.380 5.422 5.249 5.688 0.308 5 0 "[ . 1 . 2]" 1
453 1 70 GLU H 1 71 GLN QE . . 5.700 5.328 4.527 6.784 1.084 18 2 "[ . 1 . +-2]" 1
454 1 70 GLU H 1 71 GLN HG2 . . 4.660 4.277 3.977 4.812 0.152 18 0 "[ . 1 . 2]" 1
455 1 70 GLU H 1 73 LYS QG . . 5.650 4.584 3.683 5.379 . 0 0 "[ . 1 . 2]" 1
456 1 70 GLU HA 1 70 GLU QG . . 3.850 3.187 2.216 3.506 . 0 0 "[ . 1 . 2]" 1
457 1 70 GLU HA 1 73 LYS H . . 4.290 3.426 3.089 3.773 . 0 0 "[ . 1 . 2]" 1
458 1 70 GLU HA 1 73 LYS HB2 . . 3.740 2.419 2.146 2.791 . 0 0 "[ . 1 . 2]" 1
459 1 70 GLU HA 1 73 LYS HB3 . . 5.020 3.958 3.610 4.362 . 0 0 "[ . 1 . 2]" 1
460 1 70 GLU HA 1 73 LYS QD . . 5.160 3.994 2.121 4.925 . 0 0 "[ . 1 . 2]" 1
461 1 70 GLU HA 1 73 LYS QE . . 4.450 4.217 1.977 5.410 0.960 15 6 "[ .-** 1 *+ * 2]" 1
462 1 70 GLU HA 1 73 LYS QG . . 3.920 2.979 2.175 4.034 0.114 4 0 "[ . 1 . 2]" 1
463 1 70 GLU QB 1 71 GLN H . . 3.990 3.556 2.958 3.857 . 0 0 "[ . 1 . 2]" 1
464 1 70 GLU QB 1 71 GLN QE . . 5.780 4.299 3.282 5.250 . 0 0 "[ . 1 . 2]" 1
465 1 70 GLU QB 1 72 PHE H . . 6.000 5.293 4.854 5.511 . 0 0 "[ . 1 . 2]" 1
466 1 70 GLU QB 1 73 LYS HB3 . . 5.970 5.268 4.696 5.820 . 0 0 "[ . 1 . 2]" 1
467 1 70 GLU QG 1 71 GLN H . . 5.500 2.961 2.254 4.888 . 0 0 "[ . 1 . 2]" 1
468 1 70 GLU QG 1 71 GLN QE . . 6.000 3.242 1.956 6.421 0.421 18 0 "[ . 1 . 2]" 1
469 1 70 GLU QG 1 74 SER QB . . 6.000 4.879 3.841 5.627 . 0 0 "[ . 1 . 2]" 1
470 1 71 GLN H 1 71 GLN HB2 . . 3.810 2.621 2.492 2.792 . 0 0 "[ . 1 . 2]" 1
471 1 71 GLN H 1 71 GLN HB3 . . 3.630 3.650 3.591 3.694 0.064 20 0 "[ . 1 . 2]" 1
472 1 71 GLN H 1 73 LYS H . . 4.930 3.910 3.711 4.080 . 0 0 "[ . 1 . 2]" 1
473 1 71 GLN H 1 74 SER H . . 6.000 4.639 4.399 4.921 . 0 0 "[ . 1 . 2]" 1
474 1 71 GLN HA 1 71 GLN QE . . 5.290 3.997 3.382 4.374 . 0 0 "[ . 1 . 2]" 1
475 1 71 GLN HA 1 71 GLN QG . . 3.370 3.180 3.059 3.306 . 0 0 "[ . 1 . 2]" 1
476 1 71 GLN HA 1 73 LYS H . . 4.980 4.548 4.407 4.731 . 0 0 "[ . 1 . 2]" 1
477 1 71 GLN HB2 1 72 PHE H . . 5.110 2.646 2.426 3.012 . 0 0 "[ . 1 . 2]" 1
478 1 71 GLN HB2 1 101 CYS QB . . 4.770 3.959 3.424 4.510 . 0 0 "[ . 1 . 2]" 1
479 1 71 GLN HB3 1 71 GLN QE . . 4.560 4.135 3.964 4.273 . 0 0 "[ . 1 . 2]" 1
480 1 71 GLN HB3 1 72 PHE H . . 4.500 3.815 3.626 3.972 . 0 0 "[ . 1 . 2]" 1
481 1 71 GLN HB3 1 98 MET HA . . 4.540 2.876 2.505 3.468 . 0 0 "[ . 1 . 2]" 1
482 1 71 GLN HB3 1 101 CYS QB . . 5.200 4.500 4.021 4.998 . 0 0 "[ . 1 . 2]" 1
483 1 71 GLN QE 1 97 ALA MB . . 5.150 3.624 2.389 4.359 . 0 0 "[ . 1 . 2]" 1
484 1 71 GLN QE 1 101 CYS QB . . 4.500 4.379 3.091 5.344 0.844 7 3 "[- . + 1 * . 2]" 1
485 1 71 GLN QG 1 72 PHE H . . 4.310 3.944 3.776 4.337 0.027 7 0 "[ . 1 . 2]" 1
486 1 71 GLN QG 1 101 CYS QB . . 4.830 2.899 2.536 3.254 . 0 0 "[ . 1 . 2]" 1
487 1 71 GLN HG2 1 97 ALA MB . . 4.620 4.483 3.976 4.789 0.169 10 0 "[ . 1 . 2]" 1
488 1 71 GLN HG2 1 101 CYS QB . . 5.050 3.962 3.597 4.301 . 0 0 "[ . 1 . 2]" 1
489 1 71 GLN HG3 1 72 PHE H . . 4.910 4.928 4.675 5.363 0.453 7 0 "[ . 1 . 2]" 1
490 1 71 GLN HG3 1 97 ALA MB . . 4.630 3.271 2.494 3.701 . 0 0 "[ . 1 . 2]" 1
491 1 71 GLN HG3 1 101 CYS QB . . 5.030 2.987 2.584 3.409 . 0 0 "[ . 1 . 2]" 1
492 1 72 PHE H 1 72 PHE QD . . 4.520 4.200 4.123 4.281 . 0 0 "[ . 1 . 2]" 1
493 1 72 PHE H 1 73 LYS H . . 4.300 2.722 2.485 2.900 . 0 0 "[ . 1 . 2]" 1
494 1 72 PHE H 1 73 LYS QG . . 5.500 4.674 4.244 4.905 . 0 0 "[ . 1 . 2]" 1
495 1 72 PHE H 1 75 ALA H . . 5.090 4.739 4.565 4.825 . 0 0 "[ . 1 . 2]" 1
496 1 72 PHE HA 1 72 PHE QD . . 3.380 2.684 2.165 3.113 . 0 0 "[ . 1 . 2]" 1
497 1 72 PHE HA 1 74 SER H . . 6.000 4.548 4.137 4.833 . 0 0 "[ . 1 . 2]" 1
498 1 72 PHE HA 1 75 ALA MB . . 5.430 2.472 2.179 2.864 . 0 0 "[ . 1 . 2]" 1
499 1 72 PHE HB2 1 73 LYS H . . 5.050 3.940 3.810 4.045 . 0 0 "[ . 1 . 2]" 1
500 1 72 PHE HB3 1 73 LYS H . . 4.760 2.676 2.492 2.961 . 0 0 "[ . 1 . 2]" 1
501 1 72 PHE HB3 1 73 LYS QE . . 6.000 5.636 4.952 6.440 0.440 19 0 "[ . 1 . 2]" 1
502 1 72 PHE QD 1 73 LYS H . . 4.490 3.704 3.215 4.492 0.002 18 0 "[ . 1 . 2]" 1
503 1 72 PHE QD 1 73 LYS HA . . 5.070 3.957 3.284 5.034 . 0 0 "[ . 1 . 2]" 1
504 1 72 PHE QD 1 73 LYS QD . . 5.600 5.185 4.214 6.405 0.805 10 2 "[ . -+ . 2]" 1
505 1 72 PHE QD 1 73 LYS QE . . 6.000 5.354 4.467 6.317 0.317 13 0 "[ . 1 . 2]" 1
506 1 72 PHE QD 1 73 LYS QG . . 5.190 3.902 2.999 4.961 . 0 0 "[ . 1 . 2]" 1
507 1 72 PHE QD 1 75 ALA H . . 5.800 5.454 4.439 5.936 0.136 19 0 "[ . 1 . 2]" 1
508 1 72 PHE QD 1 76 PHE H . . 5.860 4.587 3.553 5.133 . 0 0 "[ . 1 . 2]" 1
509 1 72 PHE QD 1 76 PHE HA . . 6.000 6.053 5.138 6.590 0.590 1 4 "[+ *. 1* . - 2]" 1
510 1 72 PHE QD 1 76 PHE HB3 . . 6.000 5.025 3.563 5.850 . 0 0 "[ . 1 . 2]" 1
511 1 72 PHE QE 1 76 PHE QD . . 3.960 3.234 2.440 4.010 0.050 11 0 "[ . 1 . 2]" 1
512 1 73 LYS H 1 73 LYS HB2 . . 4.060 2.447 2.240 2.699 . 0 0 "[ . 1 . 2]" 1
513 1 73 LYS H 1 73 LYS HB3 . . 4.220 3.614 3.521 3.668 . 0 0 "[ . 1 . 2]" 1
514 1 73 LYS H 1 73 LYS QD . . 4.680 4.102 3.704 4.571 . 0 0 "[ . 1 . 2]" 1
515 1 73 LYS H 1 73 LYS QE . . 4.880 4.596 3.493 5.214 0.334 19 0 "[ . 1 . 2]" 1
516 1 73 LYS H 1 73 LYS QG . . 3.910 2.483 2.299 2.694 . 0 0 "[ . 1 . 2]" 1
517 1 73 LYS H 1 74 SER H . . 3.660 2.900 2.763 3.031 . 0 0 "[ . 1 . 2]" 1
518 1 73 LYS H 1 74 SER QB . . 4.960 4.616 4.449 4.788 . 0 0 "[ . 1 . 2]" 1
519 1 73 LYS HA 1 73 LYS QD . . 4.840 3.231 2.286 4.079 . 0 0 "[ . 1 . 2]" 1
520 1 73 LYS HA 1 74 SER HA . . 4.810 4.797 4.693 4.910 0.100 19 0 "[ . 1 . 2]" 1
521 1 73 LYS HA 1 76 PHE H . . 4.860 4.121 3.654 4.602 . 0 0 "[ . 1 . 2]" 1
522 1 73 LYS HA 1 77 SER H . . 4.980 3.995 3.546 4.275 . 0 0 "[ . 1 . 2]" 1
523 1 73 LYS HB2 1 73 LYS QE . . 4.630 3.994 2.153 4.647 0.017 18 0 "[ . 1 . 2]" 1
524 1 73 LYS HB2 1 74 SER H . . 4.190 2.490 2.224 2.763 . 0 0 "[ . 1 . 2]" 1
525 1 73 LYS HB2 1 74 SER QB . . 5.450 3.907 3.533 4.198 . 0 0 "[ . 1 . 2]" 1
526 1 73 LYS HB3 1 74 SER H . . 4.260 3.319 2.902 3.603 . 0 0 "[ . 1 . 2]" 1
527 1 73 LYS HB3 1 74 SER HA . . 4.650 4.232 3.978 4.415 . 0 0 "[ . 1 . 2]" 1
528 1 73 LYS HB3 1 74 SER QB . . 5.420 4.515 4.008 4.802 . 0 0 "[ . 1 . 2]" 1
529 1 73 LYS QG 1 74 SER H . . 4.870 4.166 3.973 4.345 . 0 0 "[ . 1 . 2]" 1
530 1 74 SER H 1 74 SER QB . . 3.300 2.192 2.082 2.274 . 0 0 "[ . 1 . 2]" 1
531 1 74 SER HA 1 76 PHE H . . 5.500 4.786 4.346 5.147 . 0 0 "[ . 1 . 2]" 1
532 1 74 SER HA 1 77 SER H . . 4.900 3.723 3.340 4.060 . 0 0 "[ . 1 . 2]" 1
533 1 74 SER QB 1 75 ALA H . . 4.060 2.548 2.193 2.789 . 0 0 "[ . 1 . 2]" 1
534 1 74 SER QB 1 94 GLN HB3 . . 5.330 3.121 2.505 3.900 . 0 0 "[ . 1 . 2]" 1
535 1 74 SER QB 1 94 GLN HG2 . . 4.660 2.884 2.185 3.638 . 0 0 "[ . 1 . 2]" 1
536 1 74 SER QB 1 94 GLN HG3 . . 5.190 3.692 2.387 5.141 . 0 0 "[ . 1 . 2]" 1
537 1 75 ALA H 1 76 PHE H . . 4.000 2.934 2.729 3.062 . 0 0 "[ . 1 . 2]" 1
538 1 75 ALA H 1 77 SER H . . 5.290 4.275 4.093 4.463 . 0 0 "[ . 1 . 2]" 1
539 1 75 ALA HA 1 78 CYS H . . 4.160 3.956 3.580 4.344 0.184 16 0 "[ . 1 . 2]" 1
540 1 75 ALA HA 1 78 CYS QB . . 4.480 3.027 2.698 3.314 . 0 0 "[ . 1 . 2]" 1
541 1 75 ALA HA 1 91 CYS HB2 . . 5.900 4.536 3.926 5.417 . 0 0 "[ . 1 . 2]" 1
542 1 75 ALA HA 1 94 GLN H . . 6.000 4.896 4.479 5.188 . 0 0 "[ . 1 . 2]" 1
543 1 75 ALA HA 1 94 GLN HB2 . . 3.760 2.586 2.225 2.954 . 0 0 "[ . 1 . 2]" 1
544 1 75 ALA HA 1 94 GLN HB3 . . 4.390 2.731 2.091 3.336 . 0 0 "[ . 1 . 2]" 1
545 1 75 ALA HA 1 95 PHE QD . . 5.140 3.685 3.399 4.054 . 0 0 "[ . 1 . 2]" 1
546 1 75 ALA HA 1 95 PHE QE . . 5.170 3.108 2.745 3.592 . 0 0 "[ . 1 . 2]" 1
547 1 75 ALA MB 1 76 PHE H . . 5.040 2.384 2.230 2.487 . 0 0 "[ . 1 . 2]" 1
548 1 75 ALA MB 1 77 SER H . . 5.430 4.499 4.366 4.643 . 0 0 "[ . 1 . 2]" 1
549 1 75 ALA MB 1 95 PHE QD . . 4.930 3.046 2.903 3.215 . 0 0 "[ . 1 . 2]" 1
550 1 76 PHE H 1 76 PHE QD . . 5.350 3.609 2.457 4.136 . 0 0 "[ . 1 . 2]" 1
551 1 76 PHE H 1 77 SER H . . 4.350 2.679 2.613 2.859 . 0 0 "[ . 1 . 2]" 1
552 1 76 PHE HA 1 78 CYS H . . 4.930 4.683 4.454 4.982 0.052 11 0 "[ . 1 . 2]" 1
553 1 76 PHE HA 1 79 PHE H . . 4.540 3.462 3.265 3.810 . 0 0 "[ . 1 . 2]" 1
554 1 76 PHE HA 1 79 PHE QB . . 5.220 2.507 2.222 2.813 . 0 0 "[ . 1 . 2]" 1
555 1 76 PHE HA 1 80 HIS H . . 6.000 3.929 3.595 4.239 . 0 0 "[ . 1 . 2]" 1
556 1 76 PHE HB2 1 77 SER H . . 5.100 3.550 2.803 3.966 . 0 0 "[ . 1 . 2]" 1
557 1 76 PHE HB3 1 77 SER H . . 5.220 3.079 2.849 3.446 . 0 0 "[ . 1 . 2]" 1
558 1 76 PHE QD 1 77 SER H . . 5.080 4.643 4.425 4.832 . 0 0 "[ . 1 . 2]" 1
559 1 76 PHE QD 1 77 SER QB . . 6.000 5.648 5.323 6.365 0.365 6 0 "[ . 1 . 2]" 1
560 1 76 PHE QD 1 87 LYS QB . . 5.010 5.752 4.596 6.674 1.664 1 15 "[+-**.** **** * ****]" 1
561 1 76 PHE QD 1 95 PHE QD . . 5.540 5.646 4.755 6.671 1.131 10 4 "[**- . + . 2]" 1
562 1 76 PHE QD 1 95 PHE QE . . 4.530 3.942 2.793 5.050 0.520 10 1 "[ . + . 2]" 1
563 1 77 SER H 1 78 CYS H . . 4.420 2.817 2.647 3.070 . 0 0 "[ . 1 . 2]" 1
564 1 77 SER H 1 78 CYS QB . . 6.000 4.436 4.252 4.592 . 0 0 "[ . 1 . 2]" 1
565 1 77 SER HA 1 79 PHE H . . 4.750 4.605 4.416 4.703 . 0 0 "[ . 1 . 2]" 1
566 1 77 SER HA 1 80 HIS QB . . 4.500 2.790 2.486 3.150 . 0 0 "[ . 1 . 2]" 1
567 1 77 SER HA 1 81 TYR QD . . 4.050 3.482 2.846 4.587 0.537 9 1 "[ . +1 . 2]" 1
568 1 77 SER HA 1 81 TYR QE . . 4.140 4.001 3.534 4.730 0.590 9 1 "[ . +1 . 2]" 1
569 1 77 SER QB 1 78 CYS H . . 3.410 2.764 2.224 3.465 0.055 12 0 "[ . 1 . 2]" 1
570 1 77 SER QB 1 79 PHE H . . 6.000 4.963 4.648 5.405 . 0 0 "[ . 1 . 2]" 1
571 1 77 SER QB 1 80 HIS H . . 5.410 5.017 4.793 5.338 . 0 0 "[ . 1 . 2]" 1
572 1 77 SER QB 1 80 HIS QB . . 4.650 4.493 3.997 4.987 0.337 10 0 "[ . 1 . 2]" 1
573 1 77 SER QB 1 81 TYR QD . . 4.130 4.144 3.237 5.137 1.007 4 4 "[ +- 1 ** 2]" 1
574 1 77 SER QB 1 81 TYR QE . . 4.450 4.087 3.010 5.430 0.980 4 3 "[ +. 1- * 2]" 1
575 1 78 CYS H 1 78 CYS QB . . 3.410 2.167 2.103 2.220 . 0 0 "[ . 1 . 2]" 1
576 1 78 CYS H 1 79 PHE H . . 4.500 2.877 2.793 3.067 . 0 0 "[ . 1 . 2]" 1
577 1 78 CYS H 1 81 TYR H . . 5.380 4.822 4.688 4.965 . 0 0 "[ . 1 . 2]" 1
578 1 78 CYS HA 1 80 HIS H . . 5.750 4.588 4.189 4.938 . 0 0 "[ . 1 . 2]" 1
579 1 78 CYS HA 1 81 TYR H . . 4.370 3.598 3.316 3.999 . 0 0 "[ . 1 . 2]" 1
580 1 78 CYS HA 1 81 TYR HB3 . . 6.000 4.442 4.010 5.006 . 0 0 "[ . 1 . 2]" 1
581 1 78 CYS QB 1 79 PHE H . . 4.100 2.593 2.438 2.887 . 0 0 "[ . 1 . 2]" 1
582 1 78 CYS QB 1 79 PHE HA . . 5.150 4.362 4.278 4.508 . 0 0 "[ . 1 . 2]" 1
583 1 78 CYS QB 1 80 HIS H . . 5.690 4.906 4.694 5.285 . 0 0 "[ . 1 . 2]" 1
584 1 78 CYS QB 1 94 GLN H . . 6.000 5.552 4.941 5.816 . 0 0 "[ . 1 . 2]" 1
585 1 78 CYS QB 1 94 GLN HB3 . . 5.870 4.672 3.869 5.268 . 0 0 "[ . 1 . 2]" 1
586 1 78 CYS QB 1 94 GLN QE . . 4.710 3.268 2.332 4.161 . 0 0 "[ . 1 . 2]" 1
587 1 78 CYS QB 1 94 GLN HG2 . . 5.060 4.184 2.695 5.357 0.297 7 0 "[ . 1 . 2]" 1
588 1 78 CYS QB 1 94 GLN HG3 . . 5.070 5.165 4.242 5.615 0.545 13 1 "[ . 1 + . 2]" 1
589 1 78 CYS QB 1 95 PHE QD . . 5.070 4.979 4.476 5.345 0.275 12 0 "[ . 1 . 2]" 1
590 1 79 PHE H 1 79 PHE QD . . 4.880 4.192 4.128 4.235 . 0 0 "[ . 1 . 2]" 1
591 1 79 PHE H 1 80 HIS H . . 4.610 2.843 2.752 2.955 . 0 0 "[ . 1 . 2]" 1
592 1 79 PHE H 1 81 TYR H . . 5.500 4.364 4.058 4.769 . 0 0 "[ . 1 . 2]" 1
593 1 79 PHE H 1 81 TYR HB2 . . 5.780 5.468 5.174 5.813 0.033 13 0 "[ . 1 . 2]" 1
594 1 79 PHE H 1 82 SER QB . . 5.840 4.749 4.470 5.450 . 0 0 "[ . 1 . 2]" 1
595 1 79 PHE HA 1 79 PHE QD . . 4.370 2.429 2.276 2.601 . 0 0 "[ . 1 . 2]" 1
596 1 79 PHE HA 1 82 SER H . . 5.060 3.656 3.278 4.055 . 0 0 "[ . 1 . 2]" 1
597 1 79 PHE QB 1 80 HIS H . . 4.930 2.694 2.509 2.939 . 0 0 "[ . 1 . 2]" 1
598 1 79 PHE QB 1 82 SER QB . . 6.000 4.562 4.251 5.330 . 0 0 "[ . 1 . 2]" 1
599 1 79 PHE QB 1 87 LYS QD . . 5.290 4.819 3.080 6.257 0.967 9 3 "[ . +1* . -2]" 1
600 1 79 PHE QD 1 80 HIS H . . 5.110 3.668 3.152 4.062 . 0 0 "[ . 1 . 2]" 1
601 1 79 PHE QD 1 80 HIS HA . . 6.000 4.194 3.750 4.589 . 0 0 "[ . 1 . 2]" 1
602 1 79 PHE QD 1 87 LYS HA . . 4.730 3.209 2.652 3.464 . 0 0 "[ . 1 . 2]" 1
603 1 79 PHE QD 1 87 LYS QE . . 5.610 4.313 3.020 5.470 . 0 0 "[ . 1 . 2]" 1
604 1 79 PHE QD 1 88 GLY QA . . 4.810 3.460 2.778 4.230 . 0 0 "[ . 1 . 2]" 1
605 1 79 PHE QD 1 95 PHE QE . . 4.460 4.384 4.051 4.693 0.233 2 0 "[ . 1 . 2]" 1
606 1 79 PHE QE 1 87 LYS HA . . 5.710 3.138 2.943 3.418 . 0 0 "[ . 1 . 2]" 1
607 1 79 PHE QE 1 87 LYS QD . . 5.430 3.394 2.578 4.667 . 0 0 "[ . 1 . 2]" 1
608 1 79 PHE HZ 1 87 LYS QD . . 5.490 3.816 2.491 5.468 . 0 0 "[ . 1 . 2]" 1
609 1 79 PHE HZ 1 87 LYS QE . . 5.390 3.890 3.231 4.660 . 0 0 "[ . 1 . 2]" 1
610 1 80 HIS H 1 80 HIS QB . . 3.850 2.263 2.184 2.352 . 0 0 "[ . 1 . 2]" 1
611 1 80 HIS H 1 81 TYR H . . 4.440 2.784 2.554 2.968 . 0 0 "[ . 1 . 2]" 1
612 1 80 HIS H 1 82 SER H . . 4.570 4.123 3.833 4.449 . 0 0 "[ . 1 . 2]" 1
613 1 80 HIS H 1 82 SER QB . . 5.770 4.946 4.619 5.522 . 0 0 "[ . 1 . 2]" 1
614 1 80 HIS HA 1 81 TYR QD . . 5.410 4.868 4.445 5.836 0.426 7 0 "[ . 1 . 2]" 1
615 1 80 HIS HA 1 82 SER H . . 5.870 4.250 3.508 4.678 . 0 0 "[ . 1 . 2]" 1
616 1 80 HIS HA 1 83 THR H . . 4.410 3.665 3.245 3.859 . 0 0 "[ . 1 . 2]" 1
617 1 80 HIS QB 1 81 TYR H . . 3.960 2.724 2.325 3.243 . 0 0 "[ . 1 . 2]" 1
618 1 80 HIS QB 1 81 TYR QD . . 5.730 2.812 2.287 3.803 . 0 0 "[ . 1 . 2]" 1
619 1 80 HIS QB 1 81 TYR QE . . 5.370 3.997 3.588 4.496 . 0 0 "[ . 1 . 2]" 1
620 1 81 TYR H 1 81 TYR HB2 . . 4.070 2.300 2.249 2.403 . 0 0 "[ . 1 . 2]" 1
621 1 81 TYR H 1 81 TYR QD . . 4.260 2.462 2.071 3.456 . 0 0 "[ . 1 . 2]" 1
622 1 81 TYR H 1 82 SER H . . 3.890 2.630 2.340 2.893 . 0 0 "[ . 1 . 2]" 1
623 1 81 TYR H 1 82 SER QB . . 6.000 4.379 4.009 4.914 . 0 0 "[ . 1 . 2]" 1
624 1 81 TYR HA 1 81 TYR QD . . 3.130 2.865 2.052 3.162 0.032 13 0 "[ . 1 . 2]" 1
625 1 81 TYR HA 1 81 TYR QE . . 5.090 4.638 4.414 4.804 . 0 0 "[ . 1 . 2]" 1
626 1 81 TYR HB2 1 82 SER H . . 3.810 3.191 2.857 3.807 . 0 0 "[ . 1 . 2]" 1
627 1 81 TYR HB3 1 82 SER H . . 4.700 3.845 3.656 4.263 . 0 0 "[ . 1 . 2]" 1
628 1 82 SER H 1 82 SER QB . . 3.300 2.254 2.128 2.477 . 0 0 "[ . 1 . 2]" 1
629 1 82 SER H 1 83 THR H . . 5.030 2.609 2.417 2.842 . 0 0 "[ . 1 . 2]" 1
630 1 82 SER H 1 83 THR MG . . 4.040 4.108 3.576 4.615 0.575 5 1 "[ + 1 . 2]" 1
631 1 82 SER HA 1 84 GLU H . . 5.170 4.591 3.963 5.570 0.400 6 0 "[ . 1 . 2]" 1
632 1 82 SER QB 1 83 THR H . . 4.940 2.872 2.364 3.440 . 0 0 "[ . 1 . 2]" 1
633 1 82 SER QB 1 84 GLU H . . 4.630 3.519 2.542 4.174 . 0 0 "[ . 1 . 2]" 1
634 1 82 SER QB 1 88 GLY H . . 5.400 5.590 4.818 6.806 1.406 6 4 "[ .+ 1 **-. 2]" 1
635 1 83 THR H 1 83 THR MG . . 3.870 2.670 2.395 3.245 . 0 0 "[ . 1 . 2]" 1
636 1 83 THR H 1 84 GLU H . . 3.740 3.141 2.618 3.506 . 0 0 "[ . 1 . 2]" 1
637 1 83 THR H 1 84 GLU HA . . 5.580 5.565 5.151 5.821 0.241 12 0 "[ . 1 . 2]" 1
638 1 83 THR H 1 84 GLU QB . . 5.500 4.847 4.201 5.348 . 0 0 "[ . 1 . 2]" 1
639 1 83 THR H 1 84 GLU QG . . 6.000 5.013 4.109 6.403 0.403 6 0 "[ . 1 . 2]" 1
640 1 83 THR H 1 85 GLU H . . 5.570 6.102 5.109 7.359 1.789 10 10 "[ * **** +-***. 2]" 1
641 1 83 THR HA 1 83 THR HB . . 2.610 2.405 2.339 2.510 . 0 0 "[ . 1 . 2]" 1
642 1 83 THR HA 1 83 THR MG . . 3.200 2.421 2.277 3.270 0.070 5 0 "[ . 1 . 2]" 1
643 1 83 THR HA 1 84 GLU HA . . 5.010 4.739 4.381 5.276 0.266 20 0 "[ . 1 . 2]" 1
644 1 83 THR HB 1 84 GLU H . . 4.520 4.291 3.793 4.531 0.011 7 0 "[ . 1 . 2]" 1
645 1 83 THR MG 1 84 GLU H . . 4.460 4.310 3.919 4.468 0.008 9 0 "[ . 1 . 2]" 1
646 1 84 GLU H 1 84 GLU QB . . 3.670 2.415 2.056 3.021 . 0 0 "[ . 1 . 2]" 1
647 1 84 GLU H 1 84 GLU QG . . 4.300 2.901 2.124 4.146 . 0 0 "[ . 1 . 2]" 1
648 1 84 GLU H 1 85 GLU H . . 4.480 3.650 3.049 4.592 0.112 7 0 "[ . 1 . 2]" 1
649 1 84 GLU H 1 86 ILE H . . 4.820 5.901 4.702 6.592 1.772 20 16 "[*- *.* **1*********+]" 1
650 1 84 GLU H 1 88 GLY H . . 5.880 6.786 5.862 7.471 1.591 15 15 "[** *.* ****-*+*** *]" 1
651 1 84 GLU HA 1 85 GLU H . . 3.500 3.405 2.382 3.647 0.147 18 0 "[ . 1 . 2]" 1
652 1 84 GLU HA 1 86 ILE H . . 5.560 5.505 4.405 6.166 0.606 19 2 "[ . 1- . +2]" 1
653 1 84 GLU QB 1 85 GLU H . . 3.630 2.229 1.807 2.925 . 0 0 "[ . 1 . 2]" 1
654 1 84 GLU QB 1 86 ILE H . . 3.650 3.425 2.638 4.168 0.518 19 1 "[ . 1 . +2]" 1
655 1 84 GLU QB 1 88 GLY H . . 6.000 5.478 4.240 6.489 0.489 16 0 "[ . 1 . 2]" 1
656 1 84 GLU QB 1 89 SER H . . 5.090 4.433 3.756 5.077 . 0 0 "[ . 1 . 2]" 1
657 1 84 GLU QB 1 89 SER QB . . 4.740 3.321 2.213 4.261 . 0 0 "[ . 1 . 2]" 1
658 1 84 GLU QB 1 90 ASP H . . 4.800 4.469 3.853 4.873 0.073 12 0 "[ . 1 . 2]" 1
659 1 84 GLU QB 1 90 ASP QB . . 5.280 4.643 3.420 5.836 0.556 5 2 "[ + - 1 . 2]" 1
660 1 84 GLU QG 1 90 ASP H . . 4.820 4.469 3.348 5.838 1.018 16 4 "[ . - 1** .+ 2]" 1
661 1 84 GLU QG 1 90 ASP HA . . 5.650 5.833 4.607 7.688 2.038 7 5 "[ .*+ 1* .- * 2]" 1
662 1 84 GLU QG 1 90 ASP QB . . 5.290 3.866 2.269 6.027 0.737 7 1 "[ . + 1 . 2]" 1
663 1 85 GLU H 1 85 GLU HB2 . . 4.000 3.380 2.307 4.243 0.243 19 0 "[ . 1 . 2]" 1
664 1 85 GLU H 1 85 GLU HB3 . . 4.000 3.529 2.392 4.256 0.256 2 0 "[ . 1 . 2]" 1
665 1 85 GLU H 1 86 ILE H . . 3.900 2.749 1.995 3.536 . 0 0 "[ . 1 . 2]" 1
666 1 85 GLU H 1 86 ILE MG . . 5.390 5.710 4.417 6.228 0.838 2 8 "[*+ -. * ** ** 2]" 1
667 1 85 GLU HA 1 85 GLU HG2 . . 3.430 3.043 2.426 4.173 0.743 19 1 "[ . 1 . +2]" 1
668 1 85 GLU HB2 1 86 ILE H . . 3.690 3.169 2.147 4.401 0.711 3 2 "[ + . - . 2]" 1
669 1 85 GLU HB3 1 86 ILE H . . 3.760 2.872 2.114 3.961 0.201 19 0 "[ . 1 . 2]" 1
670 1 85 GLU HG3 1 86 ILE H . . 4.720 4.335 1.659 5.165 0.445 7 0 "[ . 1 . 2]" 1
671 1 86 ILE H 1 86 ILE HB . . 3.200 2.565 2.273 2.925 . 0 0 "[ . 1 . 2]" 1
672 1 86 ILE H 1 86 ILE MG . . 3.790 3.740 2.046 4.020 0.230 10 0 "[ . 1 . 2]" 1
673 1 86 ILE H 1 87 LYS HA . . 5.270 5.617 5.226 5.863 0.593 15 3 "[* . 1 + -]" 1
674 1 86 ILE H 1 89 SER QB . . 4.200 3.263 2.651 4.574 0.374 20 0 "[ . 1 . 2]" 1
675 1 86 ILE HA 1 86 ILE MD . . 3.800 3.106 2.057 3.985 0.185 14 0 "[ . 1 . 2]" 1
676 1 86 ILE HA 1 86 ILE HG12 . . 4.070 3.162 2.546 3.655 . 0 0 "[ . 1 . 2]" 1
677 1 86 ILE HA 1 86 ILE HG13 . . 4.190 3.140 2.305 3.866 . 0 0 "[ . 1 . 2]" 1
678 1 86 ILE HA 1 86 ILE MG . . 3.120 2.463 2.289 3.248 0.128 9 0 "[ . 1 . 2]" 1
679 1 86 ILE HA 1 87 LYS H . . 3.410 2.168 2.078 2.330 . 0 0 "[ . 1 . 2]" 1
680 1 86 ILE HA 1 87 LYS QB . . 5.500 4.385 4.007 4.684 . 0 0 "[ . 1 . 2]" 1
681 1 86 ILE HB 1 87 LYS H . . 4.480 4.070 3.803 4.260 . 0 0 "[ . 1 . 2]" 1
682 1 86 ILE HB 1 89 SER H . . 5.460 3.798 3.262 5.755 0.295 9 0 "[ . 1 . 2]" 1
683 1 86 ILE HB 1 89 SER QB . . 4.160 2.609 2.031 4.517 0.357 9 0 "[ . 1 . 2]" 1
684 1 86 ILE HG13 1 89 SER H . . 5.770 6.128 5.613 6.763 0.993 5 6 "[ + 1 - .** **]" 1
685 1 86 ILE MG 1 87 LYS H . . 4.240 2.540 2.218 3.719 . 0 0 "[ . 1 . 2]" 1
686 1 86 ILE MG 1 87 LYS QG . . 4.110 4.152 3.560 5.192 1.082 9 2 "[ -. +1 . 2]" 1
687 1 86 ILE MG 1 89 SER H . . 4.800 3.736 3.026 4.332 . 0 0 "[ . 1 . 2]" 1
688 1 86 ILE MG 1 89 SER HA . . 6.000 3.945 2.506 4.779 . 0 0 "[ . 1 . 2]" 1
689 1 86 ILE MG 1 89 SER QB . . 4.310 3.532 2.002 4.604 0.294 8 0 "[ . 1 . 2]" 1
690 1 87 LYS H 1 87 LYS QB . . 3.860 2.415 2.147 2.687 . 0 0 "[ . 1 . 2]" 1
691 1 87 LYS H 1 88 GLY H . . 5.100 4.268 3.980 4.522 . 0 0 "[ . 1 . 2]" 1
692 1 87 LYS HA 1 87 LYS QE . . 4.700 4.253 3.524 4.656 . 0 0 "[ . 1 . 2]" 1
693 1 87 LYS HA 1 88 GLY QA . . 4.830 3.874 3.791 3.934 . 0 0 "[ . 1 . 2]" 1
694 1 87 LYS HA 1 89 SER H . . 4.440 4.063 3.697 4.570 0.130 20 0 "[ . 1 . 2]" 1
695 1 87 LYS QB 1 88 GLY H . . 5.630 3.692 3.303 4.038 . 0 0 "[ . 1 . 2]" 1
696 1 87 LYS QG 1 95 PHE QD . . 6.000 5.833 3.916 6.865 0.865 19 3 "[- . 1 . +*]" 1
697 1 87 LYS QG 1 95 PHE QE . . 6.000 4.497 2.833 5.743 . 0 0 "[ . 1 . 2]" 1
698 1 88 GLY H 1 89 SER H . . 3.870 2.561 2.336 2.856 . 0 0 "[ . 1 . 2]" 1
699 1 88 GLY H 1 89 SER HA . . 6.000 5.082 4.803 5.399 . 0 0 "[ . 1 . 2]" 1
700 1 88 GLY H 1 90 ASP H . . 5.090 4.994 4.218 6.162 1.072 18 3 "[ . - 1 . + *]" 1
701 1 88 GLY QA 1 89 SER HA . . 5.050 4.257 4.091 4.470 . 0 0 "[ . 1 . 2]" 1
702 1 88 GLY QA 1 90 ASP H . . 4.920 4.006 3.389 5.331 0.411 18 0 "[ . 1 . 2]" 1
703 1 88 GLY QA 1 91 CYS H . . 5.320 3.284 2.726 3.780 . 0 0 "[ . 1 . 2]" 1
704 1 88 GLY QA 1 95 PHE QE . . 6.000 2.354 2.177 2.532 . 0 0 "[ . 1 . 2]" 1
705 1 89 SER H 1 89 SER QB . . 3.820 2.396 2.140 2.797 . 0 0 "[ . 1 . 2]" 1
706 1 89 SER H 1 90 ASP H . . 4.020 3.353 3.032 4.372 0.352 18 0 "[ . 1 . 2]" 1
707 1 89 SER H 1 91 CYS H . . 5.700 4.192 3.983 4.528 . 0 0 "[ . 1 . 2]" 1
708 1 89 SER HA 1 91 CYS H . . 4.950 4.194 3.837 4.914 . 0 0 "[ . 1 . 2]" 1
709 1 89 SER HA 1 92 VAL QG . . 4.290 3.864 2.606 5.275 0.985 2 4 "[ + . - 1 . **2]" 1
710 1 89 SER QB 1 90 ASP H . . 4.520 3.089 1.932 3.864 . 0 0 "[ . 1 . 2]" 1
711 1 89 SER QB 1 90 ASP HA . . 5.930 4.497 4.112 4.843 . 0 0 "[ . 1 . 2]" 1
712 1 90 ASP H 1 91 CYS H . . 4.180 2.332 1.866 2.866 . 0 0 "[ . 1 . 2]" 1
713 1 90 ASP HA 1 91 CYS HA . . 4.950 4.738 4.587 5.007 0.057 7 0 "[ . 1 . 2]" 1
714 1 90 ASP HA 1 92 VAL H . . 5.480 3.962 3.457 4.284 . 0 0 "[ . 1 . 2]" 1
715 1 91 CYS H 1 91 CYS HB3 . . 4.160 3.706 3.539 3.894 . 0 0 "[ . 1 . 2]" 1
716 1 91 CYS H 1 92 VAL HA . . 4.960 4.326 3.921 5.029 0.069 7 0 "[ . 1 . 2]" 1
717 1 91 CYS H 1 92 VAL HB . . 5.150 4.683 3.743 5.760 0.610 3 1 "[ + . 1 . 2]" 1
718 1 91 CYS H 1 92 VAL QG . . 4.780 3.643 2.760 4.641 . 0 0 "[ . 1 . 2]" 1
719 1 91 CYS H 1 93 ASP H . . 6.000 5.225 4.801 5.905 . 0 0 "[ . 1 . 2]" 1
720 1 91 CYS HA 1 92 VAL HA . . 6.000 4.945 4.833 5.021 . 0 0 "[ . 1 . 2]" 1
721 1 91 CYS HA 1 92 VAL QG . . 5.380 4.490 4.348 4.667 . 0 0 "[ . 1 . 2]" 1
722 1 91 CYS HA 1 93 ASP H . . 4.860 3.988 3.737 4.499 . 0 0 "[ . 1 . 2]" 1
723 1 91 CYS HA 1 93 ASP QB . . 4.900 4.386 3.677 5.657 0.757 3 1 "[ + . 1 . 2]" 1
724 1 91 CYS HA 1 94 GLN H . . 4.770 4.202 3.913 4.754 . 0 0 "[ . 1 . 2]" 1
725 1 91 CYS HA 1 94 GLN QE . . 4.420 2.821 2.276 3.931 . 0 0 "[ . 1 . 2]" 1
726 1 91 CYS HB2 1 92 VAL QG . . 5.500 4.762 4.406 5.174 . 0 0 "[ . 1 . 2]" 1
727 1 91 CYS HB3 1 92 VAL H . . 4.960 4.373 4.252 4.509 . 0 0 "[ . 1 . 2]" 1
728 1 91 CYS HB3 1 94 GLN HB3 . . 4.930 4.799 4.352 5.392 0.462 11 0 "[ . 1 . 2]" 1
729 1 92 VAL H 1 92 VAL QG . . 3.270 2.151 1.823 2.550 . 0 0 "[ . 1 . 2]" 1
730 1 92 VAL H 1 93 ASP H . . 4.150 3.143 2.589 3.618 . 0 0 "[ . 1 . 2]" 1
731 1 92 VAL H 1 93 ASP QB . . 5.360 4.769 3.998 5.327 . 0 0 "[ . 1 . 2]" 1
732 1 92 VAL H 1 95 PHE QD . . 4.900 4.518 3.972 5.163 0.263 10 0 "[ . 1 . 2]" 1
733 1 92 VAL HA 1 92 VAL QG . . 3.200 2.216 2.157 2.294 . 0 0 "[ . 1 . 2]" 1
734 1 92 VAL HA 1 94 GLN H . . 4.800 4.275 3.765 4.922 0.122 4 0 "[ . 1 . 2]" 1
735 1 92 VAL HA 1 95 PHE H . . 4.630 3.367 2.947 3.663 . 0 0 "[ . 1 . 2]" 1
736 1 92 VAL HA 1 95 PHE HB2 . . 4.110 2.693 2.277 3.021 . 0 0 "[ . 1 . 2]" 1
737 1 92 VAL HA 1 95 PHE HB3 . . 4.650 4.336 3.938 4.666 0.016 16 0 "[ . 1 . 2]" 1
738 1 92 VAL HA 1 95 PHE QD . . 4.660 3.057 2.531 3.592 . 0 0 "[ . 1 . 2]" 1
739 1 92 VAL HA 1 96 ARG H . . 6.000 4.091 3.851 4.356 . 0 0 "[ . 1 . 2]" 1
740 1 92 VAL QG 1 93 ASP H . . 4.080 2.938 2.160 3.451 . 0 0 "[ . 1 . 2]" 1
741 1 92 VAL QG 1 93 ASP HA . . 4.040 3.562 3.131 4.155 0.115 9 0 "[ . 1 . 2]" 1
742 1 92 VAL QG 1 93 ASP QB . . 4.750 3.976 3.066 4.479 . 0 0 "[ . 1 . 2]" 1
743 1 92 VAL QG 1 94 GLN H . . 5.300 4.589 4.154 5.107 . 0 0 "[ . 1 . 2]" 1
744 1 92 VAL QG 1 95 PHE QD . . 5.060 4.215 3.890 4.594 . 0 0 "[ . 1 . 2]" 1
745 1 92 VAL QG 1 96 ARG H . . 5.470 3.683 3.450 3.847 . 0 0 "[ . 1 . 2]" 1
746 1 92 VAL QG 1 96 ARG HA . . 6.000 4.739 4.440 5.115 . 0 0 "[ . 1 . 2]" 1
747 1 92 VAL QG 1 96 ARG QD . . 4.210 3.377 2.676 3.963 . 0 0 "[ . 1 . 2]" 1
748 1 92 VAL QG 1 96 ARG QG . . 4.950 4.397 4.088 4.693 . 0 0 "[ . 1 . 2]" 1
749 1 93 ASP H 1 93 ASP QB . . 3.220 2.183 2.073 2.503 . 0 0 "[ . 1 . 2]" 1
750 1 93 ASP H 1 94 GLN H . . 4.070 2.945 2.680 3.259 . 0 0 "[ . 1 . 2]" 1
751 1 93 ASP HA 1 94 GLN HA . . 5.370 4.787 4.666 4.944 . 0 0 "[ . 1 . 2]" 1
752 1 93 ASP HA 1 96 ARG H . . 3.790 3.670 3.169 3.976 0.186 6 0 "[ . 1 . 2]" 1
753 1 93 ASP HA 1 96 ARG QB . . 3.690 2.726 2.089 3.281 . 0 0 "[ . 1 . 2]" 1
754 1 93 ASP HA 1 96 ARG QD . . 5.170 3.867 2.438 5.220 0.050 4 0 "[ . 1 . 2]" 1
755 1 93 ASP HA 1 97 ALA H . . 4.900 4.023 3.696 4.208 . 0 0 "[ . 1 . 2]" 1
756 1 93 ASP HA 1 97 ALA MB . . 5.330 4.588 4.170 4.795 . 0 0 "[ . 1 . 2]" 1
757 1 93 ASP QB 1 94 GLN H . . 3.650 2.664 2.231 3.698 0.048 3 0 "[ . 1 . 2]" 1
758 1 93 ASP QB 1 94 GLN QE . . 4.420 3.141 2.067 4.285 . 0 0 "[ . 1 . 2]" 1
759 1 93 ASP QB 1 97 ALA H . . 5.430 5.108 4.567 5.433 0.003 4 0 "[ . 1 . 2]" 1
760 1 94 GLN H 1 94 GLN HB2 . . 4.110 2.404 2.233 2.663 . 0 0 "[ . 1 . 2]" 1
761 1 94 GLN H 1 94 GLN QE . . 5.500 2.780 1.816 3.903 . 0 0 "[ . 1 . 2]" 1
762 1 94 GLN H 1 94 GLN HG3 . . 4.600 3.254 2.565 4.092 . 0 0 "[ . 1 . 2]" 1
763 1 94 GLN H 1 95 PHE H . . 4.220 2.623 2.381 2.920 . 0 0 "[ . 1 . 2]" 1
764 1 94 GLN HA 1 94 GLN QE . . 5.000 4.253 3.803 4.895 . 0 0 "[ . 1 . 2]" 1
765 1 94 GLN HA 1 94 GLN HG2 . . 3.380 3.343 2.691 3.744 0.364 5 0 "[ . 1 . 2]" 1
766 1 94 GLN HA 1 94 GLN HG3 . . 3.600 2.526 2.318 2.823 . 0 0 "[ . 1 . 2]" 1
767 1 94 GLN HA 1 96 ARG H . . 4.860 4.354 4.113 4.673 . 0 0 "[ . 1 . 2]" 1
768 1 94 GLN HA 1 97 ALA H . . 4.470 3.264 2.984 3.464 . 0 0 "[ . 1 . 2]" 1
769 1 94 GLN HA 1 97 ALA MB . . 3.670 2.313 2.153 2.490 . 0 0 "[ . 1 . 2]" 1
770 1 94 GLN HB3 1 95 PHE H . . 4.540 3.693 3.214 3.914 . 0 0 "[ . 1 . 2]" 1
771 1 95 PHE H 1 95 PHE HB2 . . 4.070 2.337 2.286 2.402 . 0 0 "[ . 1 . 2]" 1
772 1 95 PHE H 1 95 PHE QD . . 4.570 2.244 2.048 2.599 . 0 0 "[ . 1 . 2]" 1
773 1 95 PHE H 1 96 ARG H . . 4.120 2.561 2.447 2.657 . 0 0 "[ . 1 . 2]" 1
774 1 95 PHE H 1 96 ARG QB . . 6.000 4.263 4.056 4.413 . 0 0 "[ . 1 . 2]" 1
775 1 95 PHE H 1 97 ALA H . . 4.590 4.136 3.878 4.318 . 0 0 "[ . 1 . 2]" 1
776 1 95 PHE H 1 97 ALA MB . . 4.740 4.695 4.465 4.857 0.117 7 0 "[ . 1 . 2]" 1
777 1 95 PHE H 1 98 MET H . . 6.000 4.650 4.447 4.874 . 0 0 "[ . 1 . 2]" 1
778 1 95 PHE HA 1 95 PHE QD . . 3.760 3.059 2.867 3.161 . 0 0 "[ . 1 . 2]" 1
779 1 95 PHE HA 1 97 ALA H . . 4.800 4.627 4.478 4.900 0.100 7 0 "[ . 1 . 2]" 1
780 1 95 PHE HA 1 98 MET H . . 4.710 3.419 3.144 3.631 . 0 0 "[ . 1 . 2]" 1
781 1 95 PHE HB2 1 96 ARG H . . 4.580 2.827 2.574 3.025 . 0 0 "[ . 1 . 2]" 1
782 1 95 PHE HB2 1 96 ARG HA . . 4.500 4.745 4.520 4.923 0.423 3 0 "[ . 1 . 2]" 1
783 1 95 PHE HB2 1 97 ALA H . . 5.150 5.331 5.080 5.539 0.389 8 0 "[ . 1 . 2]" 1
784 1 95 PHE HB2 1 98 MET H . . 6.000 5.702 5.504 6.018 0.018 3 0 "[ . 1 . 2]" 1
785 1 95 PHE HB3 1 99 GLN H . . 5.210 5.108 4.791 5.630 0.420 3 0 "[ . 1 . 2]" 1
786 1 96 ARG H 1 96 ARG QB . . 3.850 2.190 2.075 2.256 . 0 0 "[ . 1 . 2]" 1
787 1 96 ARG H 1 96 ARG QD . . 4.550 4.272 3.479 4.791 0.241 18 0 "[ . 1 . 2]" 1
788 1 96 ARG H 1 96 ARG QG . . 4.360 3.977 3.878 4.074 . 0 0 "[ . 1 . 2]" 1
789 1 96 ARG H 1 97 ALA H . . 4.590 2.737 2.525 2.888 . 0 0 "[ . 1 . 2]" 1
790 1 96 ARG H 1 97 ALA MB . . 6.000 4.304 4.112 4.474 . 0 0 "[ . 1 . 2]" 1
791 1 96 ARG H 1 98 MET H . . 6.000 4.198 3.933 4.446 . 0 0 "[ . 1 . 2]" 1
792 1 96 ARG HA 1 96 ARG QD . . 3.650 3.741 2.175 4.045 0.395 19 0 "[ . 1 . 2]" 1
793 1 96 ARG HA 1 96 ARG QG . . 3.770 2.391 2.203 2.647 . 0 0 "[ . 1 . 2]" 1
794 1 96 ARG HA 1 97 ALA MB . . 5.000 5.058 5.012 5.086 0.086 7 0 "[ . 1 . 2]" 1
795 1 96 ARG HA 1 99 GLN H . . 4.120 3.447 3.083 3.696 . 0 0 "[ . 1 . 2]" 1
796 1 96 ARG QB 1 96 ARG QD . . 3.320 2.154 1.987 2.387 . 0 0 "[ . 1 . 2]" 1
797 1 96 ARG QB 1 97 ALA H . . 3.450 2.546 2.319 2.861 . 0 0 "[ . 1 . 2]" 1
798 1 96 ARG QB 1 97 ALA MB . . 4.230 3.892 3.674 4.110 . 0 0 "[ . 1 . 2]" 1
799 1 96 ARG QB 1 98 MET H . . 5.820 4.893 4.662 5.103 . 0 0 "[ . 1 . 2]" 1
800 1 96 ARG QG 1 97 ALA H . . 5.130 3.845 3.342 4.145 . 0 0 "[ . 1 . 2]" 1
801 1 96 ARG QG 1 97 ALA HA . . 4.690 4.293 3.738 4.894 0.204 8 0 "[ . 1 . 2]" 1
802 1 97 ALA H 1 97 ALA MB . . 3.300 2.194 2.158 2.230 . 0 0 "[ . 1 . 2]" 1
803 1 97 ALA H 1 98 MET H . . 3.880 2.903 2.776 3.016 . 0 0 "[ . 1 . 2]" 1
804 1 97 ALA HA 1 99 GLN H . . 5.190 4.532 4.132 5.008 . 0 0 "[ . 1 . 2]" 1
805 1 97 ALA HA 1 100 GLU H . . 4.170 3.559 3.129 4.036 . 0 0 "[ . 1 . 2]" 1
806 1 97 ALA HA 1 100 GLU HG2 . . 4.510 2.338 2.064 3.049 . 0 0 "[ . 1 . 2]" 1
807 1 97 ALA HA 1 101 CYS H . . 6.000 3.973 3.736 4.295 . 0 0 "[ . 1 . 2]" 1
808 1 97 ALA MB 1 98 MET H . . 3.870 2.522 2.393 2.657 . 0 0 "[ . 1 . 2]" 1
809 1 97 ALA MB 1 99 GLN H . . 5.500 4.660 4.405 4.931 . 0 0 "[ . 1 . 2]" 1
810 1 97 ALA MB 1 100 GLU H . . 6.000 4.797 4.474 5.072 . 0 0 "[ . 1 . 2]" 1
811 1 97 ALA MB 1 100 GLU QB . . 5.060 5.062 4.111 5.618 0.558 20 1 "[ . 1 . +]" 1
812 1 97 ALA MB 1 100 GLU HG2 . . 4.080 3.872 3.253 4.340 0.260 3 0 "[ . 1 . 2]" 1
813 1 97 ALA MB 1 101 CYS QB . . 4.600 4.229 3.921 4.571 . 0 0 "[ . 1 . 2]" 1
814 1 98 MET H 1 98 MET QB . . 3.730 2.254 2.188 2.528 . 0 0 "[ . 1 . 2]" 1
815 1 98 MET H 1 99 GLN H . . 4.230 2.895 2.726 3.049 . 0 0 "[ . 1 . 2]" 1
816 1 98 MET HA 1 99 GLN H . . 3.550 3.604 3.510 3.649 0.099 8 0 "[ . 1 . 2]" 1
817 1 98 MET QB 1 99 GLN H . . 4.560 2.713 2.360 3.769 . 0 0 "[ . 1 . 2]" 1
818 1 98 MET QB 1 99 GLN HA . . 5.140 4.315 4.105 4.788 . 0 0 "[ . 1 . 2]" 1
819 1 99 GLN H 1 99 GLN QB . . 3.910 2.276 2.031 2.426 . 0 0 "[ . 1 . 2]" 1
820 1 99 GLN HA 1 102 MET HG3 . . 4.620 4.262 3.513 4.942 0.322 1 0 "[ . 1 . 2]" 1
821 1 100 GLU H 1 100 GLU QB . . 3.530 2.424 2.023 2.634 . 0 0 "[ . 1 . 2]" 1
822 1 100 GLU H 1 100 GLU HG2 . . 4.680 2.895 2.158 3.944 . 0 0 "[ . 1 . 2]" 1
823 1 100 GLU H 1 100 GLU HG3 . . 4.680 3.412 2.466 4.343 . 0 0 "[ . 1 . 2]" 1
824 1 100 GLU H 1 101 CYS H . . 4.180 2.758 2.648 2.935 . 0 0 "[ . 1 . 2]" 1
825 1 100 GLU H 1 101 CYS QB . . 5.590 4.448 4.347 4.710 . 0 0 "[ . 1 . 2]" 1
826 1 100 GLU HA 1 100 GLU HG2 . . 4.120 3.962 3.664 4.261 0.141 19 0 "[ . 1 . 2]" 1
827 1 100 GLU HA 1 101 CYS HA . . 5.360 4.816 4.712 4.884 . 0 0 "[ . 1 . 2]" 1
828 1 100 GLU HA 1 103 GLN HB2 . . 5.890 5.108 4.332 5.716 . 0 0 "[ . 1 . 2]" 1
829 1 100 GLU HA 1 103 GLN HB3 . . 4.690 4.353 2.935 5.098 0.408 18 0 "[ . 1 . 2]" 1
830 1 100 GLU HA 1 103 GLN QG . . 5.190 2.247 1.994 2.653 . 0 0 "[ . 1 . 2]" 1
831 1 100 GLU QB 1 101 CYS H . . 3.940 3.595 3.411 3.882 . 0 0 "[ . 1 . 2]" 1
832 1 100 GLU HG2 1 101 CYS H . . 4.570 3.231 2.158 4.094 . 0 0 "[ . 1 . 2]" 1
833 1 100 GLU HG2 1 101 CYS QB . . 5.890 4.315 3.399 5.084 . 0 0 "[ . 1 . 2]" 1
834 1 101 CYS H 1 101 CYS QB . . 3.440 2.198 2.158 2.234 . 0 0 "[ . 1 . 2]" 1
835 1 101 CYS H 1 102 MET H . . 4.030 2.808 2.625 2.984 . 0 0 "[ . 1 . 2]" 1
836 1 101 CYS H 1 102 MET HA . . 5.030 5.412 5.274 5.571 0.541 18 1 "[ . 1 . + 2]" 1
837 1 101 CYS H 1 102 MET HG3 . . 5.500 4.746 4.457 5.018 . 0 0 "[ . 1 . 2]" 1
838 1 101 CYS H 1 103 GLN H . . 6.000 4.240 4.021 4.576 . 0 0 "[ . 1 . 2]" 1
839 1 101 CYS HA 1 102 MET HB2 . . 6.000 5.931 5.868 5.978 . 0 0 "[ . 1 . 2]" 1
840 1 101 CYS HA 1 102 MET HG3 . . 6.000 5.396 4.934 5.707 . 0 0 "[ . 1 . 2]" 1
841 1 101 CYS HA 1 103 GLN H . . 4.580 4.365 4.092 4.647 0.067 5 0 "[ . 1 . 2]" 1
842 1 101 CYS HA 1 103 GLN QG . . 4.720 4.777 4.420 5.095 0.375 18 0 "[ . 1 . 2]" 1
843 1 101 CYS HA 1 104 LYS H . . 4.030 3.615 3.249 4.039 0.009 4 0 "[ . 1 . 2]" 1
844 1 101 CYS HA 1 104 LYS QG . . 5.130 3.776 3.024 4.585 . 0 0 "[ . 1 . 2]" 1
845 1 101 CYS QB 1 102 MET H . . 4.280 2.518 2.291 2.730 . 0 0 "[ . 1 . 2]" 1
846 1 101 CYS QB 1 102 MET HA . . 5.590 4.226 4.129 4.362 . 0 0 "[ . 1 . 2]" 1
847 1 102 MET H 1 102 MET HB2 . . 4.020 2.430 2.333 2.484 . 0 0 "[ . 1 . 2]" 1
848 1 102 MET H 1 102 MET QB . . 3.310 2.395 2.305 2.445 . 0 0 "[ . 1 . 2]" 1
849 1 102 MET H 1 102 MET HG2 . . 4.360 3.546 3.232 3.731 . 0 0 "[ . 1 . 2]" 1
850 1 102 MET H 1 102 MET HG3 . . 4.630 2.450 2.273 2.672 . 0 0 "[ . 1 . 2]" 1
851 1 102 MET H 1 103 GLN H . . 3.290 2.799 2.631 2.964 . 0 0 "[ . 1 . 2]" 1
852 1 102 MET H 1 103 GLN HB3 . . 5.600 5.273 4.845 5.581 . 0 0 "[ . 1 . 2]" 1
853 1 102 MET H 1 103 GLN QG . . 5.500 4.357 3.952 5.046 . 0 0 "[ . 1 . 2]" 1
854 1 102 MET H 1 104 LYS H . . 5.230 4.196 3.973 4.535 . 0 0 "[ . 1 . 2]" 1
855 1 102 MET HA 1 102 MET HG3 . . 3.830 2.997 2.841 3.331 . 0 0 "[ . 1 . 2]" 1
856 1 102 MET HA 1 109 TYR QE . . 4.410 4.917 4.150 5.653 1.243 12 8 "[ -* . ***1 +**. 2]" 1
857 1 102 MET QB 1 103 GLN H . . 4.830 3.182 2.869 3.508 . 0 0 "[ . 1 . 2]" 1
858 1 102 MET HB2 1 103 GLN H . . 4.190 3.332 2.986 3.701 . 0 0 "[ . 1 . 2]" 1
859 1 102 MET HG2 1 109 TYR QE . . 5.090 4.966 4.182 5.771 0.681 7 2 "[ . + 1 - . 2]" 1
860 1 102 MET HG3 1 103 GLN H . . 5.380 4.800 4.603 5.011 . 0 0 "[ . 1 . 2]" 1
861 1 103 GLN H 1 103 GLN HB2 . . 3.610 3.721 3.636 3.817 0.207 18 0 "[ . 1 . 2]" 1
862 1 103 GLN H 1 103 GLN HE21 . . 5.500 4.360 3.364 5.294 . 0 0 "[ . 1 . 2]" 1
863 1 103 GLN H 1 103 GLN QG . . 4.030 2.227 1.903 2.835 . 0 0 "[ . 1 . 2]" 1
864 1 103 GLN H 1 104 LYS H . . 4.040 2.513 2.249 2.773 . 0 0 "[ . 1 . 2]" 1
865 1 103 GLN H 1 104 LYS QG . . 6.000 4.527 3.663 5.215 . 0 0 "[ . 1 . 2]" 1
866 1 103 GLN H 1 105 TYR H . . 5.940 3.994 3.729 4.300 . 0 0 "[ . 1 . 2]" 1
867 1 103 GLN HB2 1 103 GLN HE22 . . 4.570 4.485 3.912 4.824 0.254 17 0 "[ . 1 . 2]" 1
868 1 103 GLN HB2 1 104 LYS H . . 5.210 4.302 4.070 4.477 . 0 0 "[ . 1 . 2]" 1
869 1 103 GLN HB2 1 104 LYS HA . . 6.000 5.018 4.769 5.391 . 0 0 "[ . 1 . 2]" 1
870 1 103 GLN HB3 1 104 LYS H . . 5.370 4.342 3.988 4.495 . 0 0 "[ . 1 . 2]" 1
871 1 103 GLN HB3 1 104 LYS HA . . 6.000 5.980 5.879 6.057 0.057 8 0 "[ . 1 . 2]" 1
872 1 103 GLN HE21 1 104 LYS H . . 5.150 3.960 2.836 5.178 0.028 4 0 "[ . 1 . 2]" 1
873 1 103 GLN HE21 1 104 LYS QB . . 6.000 4.533 3.103 5.867 . 0 0 "[ . 1 . 2]" 1
874 1 104 LYS H 1 104 LYS QB . . 3.550 2.337 2.079 2.537 . 0 0 "[ . 1 . 2]" 1
875 1 104 LYS H 1 104 LYS QG . . 3.980 2.828 2.416 3.411 . 0 0 "[ . 1 . 2]" 1
876 1 104 LYS H 1 105 TYR HA . . 6.000 5.135 4.943 5.353 . 0 0 "[ . 1 . 2]" 1
877 1 104 LYS HA 1 104 LYS QD . . 5.020 3.528 2.273 4.256 . 0 0 "[ . 1 . 2]" 1
878 1 104 LYS HA 1 104 LYS QE . . 4.130 3.794 1.928 4.423 0.293 11 0 "[ . 1 . 2]" 1
879 1 104 LYS HA 1 104 LYS QG . . 3.760 2.410 2.191 2.791 . 0 0 "[ . 1 . 2]" 1
880 1 104 LYS HA 1 105 TYR QD . . 4.420 4.856 4.190 5.411 0.991 6 7 "[ -+ *** . ** 2]" 1
881 1 104 LYS HA 1 105 TYR QE . . 5.780 5.922 5.423 6.371 0.591 6 3 "[* .+ 1- . 2]" 1
882 1 104 LYS QB 1 104 LYS QE . . 3.690 2.128 2.015 2.337 . 0 0 "[ . 1 . 2]" 1
883 1 104 LYS QB 1 105 TYR H . . 4.020 2.909 2.585 3.159 . 0 0 "[ . 1 . 2]" 1
884 1 104 LYS QB 1 105 TYR QD . . 4.050 3.396 2.662 3.868 . 0 0 "[ . 1 . 2]" 1
885 1 104 LYS QB 1 105 TYR QE . . 3.580 3.777 3.101 4.382 0.802 10 4 "[* .- +* . 2]" 1
886 1 104 LYS QD 1 105 TYR QE . . 5.330 5.188 4.282 5.985 0.655 2 2 "[ + . 1- . 2]" 1
887 1 104 LYS QE 1 105 TYR QE . . 3.800 4.121 2.580 5.312 1.512 6 10 "[** .+ **** * * -]" 1
888 1 104 LYS QG 1 105 TYR H . . 5.150 4.365 4.112 4.628 . 0 0 "[ . 1 . 2]" 1
889 1 104 LYS QG 1 105 TYR QD . . 6.000 5.265 4.727 5.645 . 0 0 "[ . 1 . 2]" 1
890 1 104 LYS QG 1 105 TYR QE . . 5.780 5.509 4.432 6.245 0.465 11 0 "[ . 1 . 2]" 1
891 1 105 TYR H 1 105 TYR QB . . 3.790 2.504 2.335 2.764 . 0 0 "[ . 1 . 2]" 1
892 1 105 TYR H 1 105 TYR QD . . 5.500 3.583 3.186 3.926 . 0 0 "[ . 1 . 2]" 1
893 1 105 TYR H 1 106 PRO HA . . 5.240 4.800 4.427 5.108 . 0 0 "[ . 1 . 2]" 1
894 1 105 TYR H 1 106 PRO HD2 . . 4.950 4.535 4.179 5.003 0.053 9 0 "[ . 1 . 2]" 1
895 1 105 TYR H 1 106 PRO HD3 . . 4.790 3.789 3.291 4.400 . 0 0 "[ . 1 . 2]" 1
896 1 105 TYR H 1 108 LEU QD . . 5.340 4.576 4.384 4.766 . 0 0 "[ . 1 . 2]" 1
897 1 105 TYR H 1 109 TYR QE . . 4.820 5.302 4.598 6.100 1.280 12 8 "[*** . * 1 +-*. *2]" 1
898 1 105 TYR HA 1 105 TYR QD . . 3.200 2.260 2.123 2.654 . 0 0 "[ . 1 . 2]" 1
899 1 105 TYR HA 1 105 TYR QE . . 4.400 4.537 4.336 4.782 0.382 17 0 "[ . 1 . 2]" 1
900 1 105 TYR HA 1 106 PRO HB3 . . 5.070 5.144 4.943 5.293 0.223 8 0 "[ . 1 . 2]" 1
901 1 105 TYR HA 1 106 PRO HD2 . . 3.360 2.208 2.147 2.367 . 0 0 "[ . 1 . 2]" 1
902 1 105 TYR HA 1 106 PRO HD3 . . 3.350 2.764 2.423 2.990 . 0 0 "[ . 1 . 2]" 1
903 1 105 TYR HA 1 106 PRO HG2 . . 4.420 4.403 4.283 4.554 0.134 16 0 "[ . 1 . 2]" 1
904 1 105 TYR HA 1 106 PRO QG . . 4.460 4.038 3.989 4.187 . 0 0 "[ . 1 . 2]" 1
905 1 105 TYR HA 1 107 ASP H . . 4.450 4.379 3.874 5.177 0.727 1 1 "[+ . 1 . 2]" 1
906 1 105 TYR HA 1 108 LEU HB3 . . 5.150 5.020 4.214 5.707 0.557 10 2 "[ - + . 2]" 1
907 1 105 TYR HA 1 108 LEU QD . . 4.370 2.362 2.160 2.827 . 0 0 "[ . 1 . 2]" 1
908 1 105 TYR HA 1 108 LEU HG . . 5.340 4.339 3.803 4.931 . 0 0 "[ . 1 . 2]" 1
909 1 105 TYR HA 1 109 TYR QD . . 5.810 5.719 4.930 6.434 0.624 19 2 "[ . - 1 . +2]" 1
910 1 105 TYR QB 1 106 PRO HD2 . . 4.790 3.975 3.494 4.256 . 0 0 "[ . 1 . 2]" 1
911 1 105 TYR QB 1 107 ASP H . . 4.990 4.814 4.182 5.707 0.717 1 1 "[+ . 1 . 2]" 1
912 1 105 TYR QB 1 108 LEU HB3 . . 5.470 5.443 4.775 5.873 0.403 5 0 "[ . 1 . 2]" 1
913 1 105 TYR QB 1 108 LEU QD . . 4.540 2.199 1.983 2.356 . 0 0 "[ . 1 . 2]" 1
914 1 105 TYR QB 1 109 TYR QD . . 3.590 3.709 2.692 4.675 1.085 19 6 "[**- . * 1 * . +2]" 1
915 1 105 TYR QB 1 109 TYR QE . . 3.460 2.425 2.050 3.273 . 0 0 "[ . 1 . 2]" 1
916 1 105 TYR QD 1 106 PRO HD2 . . 5.230 3.874 3.410 4.311 . 0 0 "[ . 1 . 2]" 1
917 1 105 TYR QD 1 106 PRO HD3 . . 4.350 4.557 4.089 5.038 0.688 5 3 "[ +* 1 . - 2]" 1
918 1 105 TYR QD 1 106 PRO HG2 . . 6.000 6.040 5.633 6.515 0.515 16 1 "[ . 1 .+ 2]" 1
919 1 105 TYR QD 1 106 PRO HG3 . . 5.940 6.328 5.870 6.734 0.794 17 5 "[ ** 1 .*+- 2]" 1
920 1 105 TYR QE 1 106 PRO HD2 . . 5.910 6.027 5.605 6.414 0.504 16 2 "[ . 1 .+- 2]" 1
921 1 105 TYR QE 1 108 LEU QD . . 4.150 3.596 2.967 3.911 . 0 0 "[ . 1 . 2]" 1
922 1 105 TYR QE 1 108 LEU HG . . 5.680 4.690 3.670 5.208 . 0 0 "[ . 1 . 2]" 1
923 1 106 PRO HA 1 108 LEU H . . 5.240 5.310 4.841 6.113 0.873 10 2 "[ - + . 2]" 1
924 1 106 PRO HB2 1 107 ASP H . . 3.890 2.966 2.221 3.618 . 0 0 "[ . 1 . 2]" 1
925 1 106 PRO HD2 1 107 ASP H . . 4.280 3.005 2.636 3.666 . 0 0 "[ . 1 . 2]" 1
926 1 106 PRO HD2 1 108 LEU H . . 5.940 3.953 3.263 5.801 . 0 0 "[ . 1 . 2]" 1
927 1 106 PRO HD2 1 108 LEU QD . . 5.360 2.565 2.130 3.616 . 0 0 "[ . 1 . 2]" 1
928 1 106 PRO HD3 1 107 ASP H . . 4.320 4.075 3.847 4.405 0.085 1 0 "[ . 1 . 2]" 1
929 1 106 PRO QG 1 107 ASP H . . 4.070 2.025 1.885 2.389 . 0 0 "[ . 1 . 2]" 1
930 1 106 PRO QG 1 109 TYR QE . . 6.000 5.781 5.365 6.081 0.081 20 0 "[ . 1 . 2]" 1
931 1 106 PRO HG2 1 107 ASP H . . 3.760 2.034 1.893 2.408 . 0 0 "[ . 1 . 2]" 1
932 1 106 PRO HG2 1 107 ASP QB . . 6.000 3.752 3.226 4.296 . 0 0 "[ . 1 . 2]" 1
933 1 106 PRO HG2 1 108 LEU H . . 6.000 3.965 3.167 5.671 . 0 0 "[ . 1 . 2]" 1
934 1 107 ASP H 1 107 ASP QB . . 3.860 2.804 2.309 3.258 . 0 0 "[ . 1 . 2]" 1
935 1 107 ASP H 1 108 LEU H . . 3.540 2.365 1.813 3.884 0.344 10 0 "[ . 1 . 2]" 1
936 1 107 ASP H 1 108 LEU HA . . 4.860 4.465 4.154 5.259 0.399 10 0 "[ . 1 . 2]" 1
937 1 107 ASP H 1 108 LEU HB3 . . 5.570 3.926 3.605 4.256 . 0 0 "[ . 1 . 2]" 1
938 1 107 ASP H 1 108 LEU QD . . 5.340 2.950 2.270 3.559 . 0 0 "[ . 1 . 2]" 1
939 1 107 ASP H 1 108 LEU HG . . 5.140 5.301 4.846 5.756 0.616 1 1 "[+ . 1 . 2]" 1
940 1 107 ASP H 1 109 TYR H . . 4.950 4.562 4.105 5.622 0.672 10 1 "[ . + . 2]" 1
941 1 107 ASP H 1 109 TYR QE . . 5.190 4.644 4.246 5.399 0.209 1 0 "[ . 1 . 2]" 1
942 1 107 ASP HA 1 108 LEU HA . . 5.230 4.693 4.366 4.931 . 0 0 "[ . 1 . 2]" 1
943 1 107 ASP HA 1 108 LEU QD . . 5.700 3.809 3.248 4.134 . 0 0 "[ . 1 . 2]" 1
944 1 107 ASP HA 1 109 TYR H . . 4.460 3.256 2.857 3.576 . 0 0 "[ . 1 . 2]" 1
945 1 107 ASP QB 1 108 LEU H . . 4.330 3.779 3.162 4.048 . 0 0 "[ . 1 . 2]" 1
946 1 107 ASP QB 1 108 LEU HA . . 4.870 4.438 4.126 4.808 . 0 0 "[ . 1 . 2]" 1
947 1 107 ASP QB 1 108 LEU HB3 . . 5.890 5.183 4.557 5.579 . 0 0 "[ . 1 . 2]" 1
948 1 107 ASP QB 1 109 TYR H . . 6.000 4.703 4.538 4.867 . 0 0 "[ . 1 . 2]" 1
949 1 107 ASP QB 1 109 TYR QE . . 5.790 4.630 3.717 5.843 0.053 1 0 "[ . 1 . 2]" 1
950 1 108 LEU H 1 108 LEU HB2 . . 4.080 3.708 3.549 4.126 0.046 10 0 "[ . 1 . 2]" 1
951 1 108 LEU H 1 108 LEU QD . . 3.770 1.913 1.738 2.498 . 0 0 "[ . 1 . 2]" 1
952 1 108 LEU H 1 108 LEU HG . . 4.650 3.824 3.663 4.531 . 0 0 "[ . 1 . 2]" 1
953 1 108 LEU H 1 109 TYR H . . 3.500 2.556 1.743 3.018 . 0 0 "[ . 1 . 2]" 1
954 1 108 LEU H 1 109 TYR HA . . 5.120 5.161 3.913 5.615 0.495 17 0 "[ . 1 . 2]" 1
955 1 108 LEU H 1 109 TYR HB2 . . 6.000 5.666 3.912 6.426 0.426 17 0 "[ . 1 . 2]" 1
956 1 108 LEU H 1 109 TYR QE . . 4.760 4.135 3.667 4.864 0.104 1 0 "[ . 1 . 2]" 1
957 1 108 LEU HB2 1 109 TYR H . . 4.610 4.368 4.171 4.518 . 0 0 "[ . 1 . 2]" 1
958 1 108 LEU HB3 1 109 TYR H . . 4.520 4.377 4.068 4.663 0.143 10 0 "[ . 1 . 2]" 1
959 1 108 LEU HB3 1 109 TYR QE . . 6.000 6.175 5.812 6.682 0.682 6 3 "[* .+ 1 . - 2]" 1
960 1 108 LEU QD 1 109 TYR H . . 4.860 2.613 1.889 3.639 . 0 0 "[ . 1 . 2]" 1
961 1 108 LEU QD 1 109 TYR HA . . 4.120 3.180 2.546 4.069 . 0 0 "[ . 1 . 2]" 1
962 1 108 LEU QD 1 109 TYR QD . . 4.510 2.600 2.113 3.077 . 0 0 "[ . 1 . 2]" 1
963 1 108 LEU QD 1 109 TYR QE . . 4.430 2.971 2.487 3.545 . 0 0 "[ . 1 . 2]" 1
964 1 108 LEU HG 1 109 TYR H . . 5.490 4.987 4.227 5.302 . 0 0 "[ . 1 . 2]" 1
965 1 108 LEU HG 1 109 TYR QE . . 5.440 5.792 4.399 6.503 1.063 15 7 "[- .* * 1 + ** *]" 1
966 1 109 TYR H 1 109 TYR HB2 . . 4.020 3.291 2.446 3.617 . 0 0 "[ . 1 . 2]" 1
967 1 109 TYR H 1 109 TYR HB3 . . 4.020 3.294 2.956 3.580 . 0 0 "[ . 1 . 2]" 1
968 1 109 TYR H 1 109 TYR QE . . 5.070 3.939 3.750 4.377 . 0 0 "[ . 1 . 2]" 1
969 1 109 TYR HA 1 109 TYR QD . . 4.500 3.378 2.177 3.791 . 0 0 "[ . 1 . 2]" 1
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