NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
579272 |
2mq3   |
25010 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mq3
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 1276
_Distance_constraint_stats_list.Viol_count 1715
_Distance_constraint_stats_list.Viol_total 6540.072
_Distance_constraint_stats_list.Viol_max 1.957
_Distance_constraint_stats_list.Viol_rms 0.1827
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0513
_Distance_constraint_stats_list.Viol_average_violations_only 0.3813
_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 5 PRO 1.182 0.478 2 0 "[ . 1]"
1 6 VAL 10.763 1.346 7 5 "[- ***+ 1]"
1 7 LEU 1.442 0.403 4 0 "[ . 1]"
1 8 ILE 46.823 1.739 5 9 "[*** +*****]"
1 9 THR 24.417 1.828 7 7 "[** *-+* *]"
1 10 ARG 19.535 1.196 6 9 "[ ****+***-]"
1 11 PRO 28.829 1.438 6 9 "[ ****+***-]"
1 12 LEU 27.678 1.177 9 9 "[** **-**+*]"
1 13 GLU 1.632 0.330 4 0 "[ . 1]"
1 14 ASP 23.950 1.143 1 10 [+********-]
1 15 GLN 3.193 0.565 7 2 "[ - + 1]"
1 16 LEU 10.872 1.088 5 3 "[ -+ *1]"
1 17 VAL 2.039 0.367 6 0 "[ . 1]"
1 18 MET 3.686 1.070 5 1 "[ + 1]"
1 19 VAL 3.634 0.534 9 2 "[ - +1]"
1 20 GLY 9.737 1.029 8 6 "[ **.**+*1]"
1 21 GLN 7.676 1.070 5 1 "[ + 1]"
1 22 ARG 13.514 1.083 7 8 "[- ***+***]"
1 23 VAL 8.438 1.286 2 4 "[ + * -* 1]"
1 24 GLU 18.130 1.286 2 9 "[*+* -*****]"
1 25 PHE 15.317 1.339 1 8 "[+** ** **-]"
1 26 GLU 11.703 1.067 6 7 "[*- *.+** *]"
1 27 CYS 10.811 0.984 9 4 "[* -. *+1]"
1 28 GLU 15.348 1.196 6 8 "[ ** *+****]"
1 29 VAL 15.369 0.927 2 5 "[*+* - *]"
1 30 SER 26.533 1.828 7 10 [*****-+***]
1 31 GLU 7.470 1.164 2 2 "[ + . *]"
1 32 GLU 0.000 0.000 . 0 "[ . 1]"
1 34 ALA 4.509 1.164 2 2 "[ + - 1]"
1 35 GLN 0.048 0.046 10 0 "[ . 1]"
1 36 VAL 2.443 0.538 1 1 "[+ . 1]"
1 37 LYS 13.598 1.957 7 6 "[ -** +* *]"
1 38 TRP 77.649 1.598 3 10 [*-+*******]
1 39 LEU 30.358 1.957 7 8 "[ *****+* -]"
1 40 LYS 13.407 1.273 2 3 "[ + *. -1]"
1 41 ASP 4.188 0.874 2 3 "[ + -. *1]"
1 42 GLY 2.273 0.475 10 0 "[ . 1]"
1 43 VAL 12.723 1.273 2 8 "[ +*** ***-]"
1 44 GLU 14.046 1.456 3 4 "[ + . *-*1]"
1 45 LEU 9.161 1.182 2 5 "[ +* .* *-1]"
1 46 THR 3.599 1.456 3 2 "[ + . - 1]"
1 47 ARG 2.783 0.945 1 1 "[+ . 1]"
1 48 GLU 3.856 0.945 1 1 "[+ . 1]"
1 49 GLU 7.153 1.222 1 6 "[+* *.- **1]"
1 50 THR 5.579 1.119 8 3 "[* . + *]"
1 51 PHE 0.796 0.207 4 0 "[ . 1]"
1 52 LYS 19.539 1.302 1 9 "[+****- ***]"
1 53 TYR 13.126 0.948 4 7 "[* *+.* **-]"
1 54 TRP 20.812 1.053 3 10 [**+******-]
1 55 PHE 27.320 1.598 3 8 "[**+ - ****]"
1 56 LYS 12.968 1.195 1 8 "[+*- * ****]"
1 57 LYS 22.232 1.867 6 10 [*****+****]
1 58 ASP 9.590 1.462 7 4 "[- **. + 1]"
1 59 GLY 0.000 0.000 . 0 "[ . 1]"
1 60 GLN 6.696 0.895 2 4 "[*+* - 1]"
1 61 ARG 18.529 1.178 7 9 "[-**** +***]"
1 62 HIS 36.086 1.867 6 10 [*****+****]
1 63 HIS 25.834 1.178 7 9 "[***** +**-]"
1 64 LEU 14.463 1.036 8 6 "[*** . *+*1]"
1 65 ILE 16.087 1.253 8 5 "[*** . + *]"
1 66 ILE 20.566 1.083 7 9 "[- ****+***]"
1 67 ASN 7.846 0.918 8 5 "[* **.* + 1]"
1 68 GLU 11.844 1.001 6 7 "[ **.+*-**]"
1 69 ALA 6.859 0.584 9 2 "[ - . +1]"
1 70 MET 13.884 1.302 1 7 "[+*-** **1]"
1 71 LEU 16.886 1.781 4 4 "[ +.** -1]"
1 72 GLU 7.870 0.975 3 4 "[ *+ .* -1]"
1 73 ASP 4.197 1.055 5 3 "[ - + *1]"
1 74 ALA 13.081 1.233 3 6 "[**+ .* -*]"
1 75 GLY 40.949 1.455 7 10 [*****-+***]
1 76 HIS 28.791 1.411 2 10 [*+*-******]
1 77 TYR 24.312 1.616 7 9 "[** ***+**-]"
1 78 ALA 10.177 1.372 2 6 "[ + ***-* 1]"
1 79 LEU 14.273 0.978 7 7 "[ * ** +**-]"
1 80 CYS 5.968 0.623 2 4 "[ + * * -]"
1 81 THR 10.578 1.346 7 5 "[- * * + *]"
1 82 SER 4.960 1.311 4 4 "[ +*-* 1]"
1 83 GLY 2.890 0.748 7 1 "[ . + 1]"
1 84 GLY 11.764 0.840 3 5 "[ *+ ** *]"
1 85 GLN 26.193 1.739 5 10 [****+**-**]
1 86 ALA 25.502 1.406 8 10 [*****-*+**]
1 87 LEU 16.297 1.438 6 8 "[ * **+*-**]"
1 88 ALA 12.003 1.616 7 4 "[ -.*+* 1]"
1 89 GLU 35.765 1.411 2 10 [*+*******-]
1 90 LEU 42.609 1.455 7 10 [*****-+***]
1 91 ILE 20.147 1.339 9 7 "[* **-* *+1]"
1 92 VAL 21.366 1.781 4 7 "[ *+*** **]"
1 93 GLN 5.423 0.918 6 3 "[ *-+ 1]"
1 94 GLU 4.901 0.538 4 2 "[ +- 1]"
1 95 LYS 1.651 0.471 2 0 "[ . 1]"
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 5 PRO HA 1 6 VAL H . . 2.750 2.262 2.172 2.407 . 0 0 "[ . 1]" 1
2 1 5 PRO HA 1 83 GLY QA . . 3.570 2.933 2.390 3.354 . 0 0 "[ . 1]" 1
3 1 5 PRO QB 1 6 VAL H . . 3.700 2.951 2.737 3.219 . 0 0 "[ . 1]" 1
4 1 5 PRO QB 1 7 LEU QD . . 4.230 3.307 2.670 4.208 . 0 0 "[ . 1]" 1
5 1 5 PRO QB 1 83 GLY H . . 5.150 5.133 4.619 5.628 0.478 2 0 "[ . 1]" 1
6 1 5 PRO HB2 1 83 GLY QA . . 4.490 3.667 2.638 4.553 0.063 8 0 "[ . 1]" 1
7 1 5 PRO HB3 1 83 GLY QA . . 4.490 3.107 2.399 3.838 . 0 0 "[ . 1]" 1
8 1 6 VAL H 1 6 VAL HB . . 3.110 2.598 2.555 2.647 . 0 0 "[ . 1]" 1
9 1 6 VAL H 1 6 VAL QG . . 3.090 2.000 1.945 2.054 . 0 0 "[ . 1]" 1
10 1 6 VAL H 1 7 LEU H . . 4.710 4.434 4.310 4.561 . 0 0 "[ . 1]" 1
11 1 6 VAL H 1 82 SER QB . . 4.680 4.962 3.665 5.991 1.311 4 3 "[ +*- 1]" 1
12 1 6 VAL H 1 83 GLY H . . 4.180 3.855 3.345 4.260 0.080 5 0 "[ . 1]" 1
13 1 6 VAL H 1 83 GLY QA . . 4.230 2.020 1.758 2.379 . 0 0 "[ . 1]" 1
14 1 6 VAL HA 1 7 LEU H . . 2.910 2.141 2.128 2.161 . 0 0 "[ . 1]" 1
15 1 6 VAL HB 1 7 LEU H . . 4.750 4.261 4.136 4.340 . 0 0 "[ . 1]" 1
16 1 6 VAL HB 1 81 THR HB . . 4.660 3.726 3.075 6.006 1.346 7 1 "[ . + 1]" 1
17 1 6 VAL HB 1 82 SER H . . 4.790 4.463 3.440 5.752 0.962 7 1 "[ . + 1]" 1
18 1 6 VAL HB 1 83 GLY H . . 4.130 3.091 2.275 4.878 0.748 7 1 "[ . + 1]" 1
19 1 6 VAL HB 1 84 GLY H . . 4.640 3.048 2.142 5.002 0.362 7 0 "[ . 1]" 1
20 1 6 VAL QG 1 7 LEU H . . 3.320 2.863 2.523 3.086 . 0 0 "[ . 1]" 1
21 1 6 VAL QG 1 29 VAL HA . . 4.510 3.710 3.313 4.404 . 0 0 "[ . 1]" 1
22 1 6 VAL QG 1 29 VAL HB . . 3.170 2.159 1.793 2.787 . 0 0 "[ . 1]" 1
23 1 6 VAL QG 1 30 SER H . . 3.740 3.114 2.498 4.000 0.260 3 0 "[ . 1]" 1
24 1 6 VAL QG 1 31 GLU H . . 3.640 2.838 2.205 3.799 0.159 3 0 "[ . 1]" 1
25 1 6 VAL QG 1 31 GLU QB . . 3.760 2.292 1.759 3.010 . 0 0 "[ . 1]" 1
26 1 6 VAL QG 1 34 ALA MB . . 2.910 2.268 1.876 2.654 . 0 0 "[ . 1]" 1
27 1 6 VAL QG 1 81 THR HB . . 3.770 3.310 2.361 4.281 0.511 1 1 "[+ . 1]" 1
28 1 6 VAL QG 1 82 SER H . . 4.840 3.460 2.919 4.259 . 0 0 "[ . 1]" 1
29 1 6 VAL QG 1 83 GLY H . . 4.380 2.946 2.404 3.462 . 0 0 "[ . 1]" 1
30 1 6 VAL QG 1 84 GLY H . . 4.730 3.408 2.578 4.032 . 0 0 "[ . 1]" 1
31 1 6 VAL MG1 1 34 ALA MB . . 3.390 2.444 2.001 3.093 . 0 0 "[ . 1]" 1
32 1 6 VAL MG1 1 81 THR HB . . 4.410 3.584 2.435 4.547 0.137 1 0 "[ . 1]" 1
33 1 6 VAL MG1 1 84 GLY H . . 5.420 3.917 2.590 4.446 . 0 0 "[ . 1]" 1
34 1 6 VAL MG2 1 34 ALA MB . . 3.390 2.767 2.267 3.406 0.016 1 0 "[ . 1]" 1
35 1 6 VAL MG2 1 81 THR HB . . 4.410 4.120 2.620 5.223 0.813 1 2 "[+ . - 1]" 1
36 1 6 VAL MG2 1 84 GLY H . . 5.420 3.991 3.120 4.833 . 0 0 "[ . 1]" 1
37 1 7 LEU H 1 7 LEU QB . . 3.460 2.418 2.350 2.457 . 0 0 "[ . 1]" 1
38 1 7 LEU H 1 7 LEU QD . . 4.110 2.678 1.783 3.266 . 0 0 "[ . 1]" 1
39 1 7 LEU H 1 29 VAL HB . . 4.980 4.640 4.044 4.966 . 0 0 "[ . 1]" 1
40 1 7 LEU H 1 30 SER H . . 4.130 3.660 2.945 4.498 0.368 8 0 "[ . 1]" 1
41 1 7 LEU H 1 31 GLU H . . 4.770 4.677 4.157 5.173 0.403 4 0 "[ . 1]" 1
42 1 7 LEU HA 1 7 LEU QD . . 2.980 2.083 1.900 2.912 . 0 0 "[ . 1]" 1
43 1 7 LEU HA 1 8 ILE H . . 2.900 2.211 2.117 2.403 . 0 0 "[ . 1]" 1
44 1 7 LEU QB 1 8 ILE H . . 3.190 2.839 2.343 3.224 0.034 8 0 "[ . 1]" 1
45 1 7 LEU QB 1 30 SER H . . 4.680 3.600 3.382 3.845 . 0 0 "[ . 1]" 1
46 1 7 LEU QD 1 8 ILE H . . 4.220 3.455 3.243 4.095 . 0 0 "[ . 1]" 1
47 1 8 ILE H 1 8 ILE HA . . 2.930 2.921 2.886 2.944 0.014 5 0 "[ . 1]" 1
48 1 8 ILE H 1 8 ILE HB . . 2.980 2.590 2.541 2.658 . 0 0 "[ . 1]" 1
49 1 8 ILE H 1 8 ILE MD . . 3.850 3.347 3.191 3.507 . 0 0 "[ . 1]" 1
50 1 8 ILE H 1 8 ILE HG12 . . 3.850 2.352 2.160 2.523 . 0 0 "[ . 1]" 1
51 1 8 ILE H 1 8 ILE QG . . 3.270 2.330 2.144 2.494 . 0 0 "[ . 1]" 1
52 1 8 ILE H 1 8 ILE HG13 . . 3.850 3.792 3.648 3.908 0.058 3 0 "[ . 1]" 1
53 1 8 ILE H 1 8 ILE MG . . 4.600 3.810 3.788 3.844 . 0 0 "[ . 1]" 1
54 1 8 ILE H 1 10 ARG H . . 5.500 5.761 5.230 5.982 0.482 9 0 "[ . 1]" 1
55 1 8 ILE H 1 29 VAL HA . . 5.500 5.105 4.886 5.349 . 0 0 "[ . 1]" 1
56 1 8 ILE H 1 84 GLY QA . . 4.480 4.838 4.063 5.320 0.840 3 4 "[ *+ -* 1]" 1
57 1 8 ILE HA 1 8 ILE MD . . 3.850 2.111 2.045 2.178 . 0 0 "[ . 1]" 1
58 1 8 ILE HA 1 9 THR H . . 2.940 2.163 2.144 2.179 . 0 0 "[ . 1]" 1
59 1 8 ILE HA 1 10 ARG H . . 3.740 3.691 3.443 3.883 0.143 1 0 "[ . 1]" 1
60 1 8 ILE HA 1 29 VAL HA . . 3.660 2.631 2.285 2.952 . 0 0 "[ . 1]" 1
61 1 8 ILE HA 1 29 VAL MG1 . . 3.680 2.860 2.038 3.503 . 0 0 "[ . 1]" 1
62 1 8 ILE HA 1 30 SER H . . 4.060 3.898 3.434 4.375 0.315 8 0 "[ . 1]" 1
63 1 8 ILE HB 1 8 ILE MD . . 3.620 3.239 3.235 3.242 . 0 0 "[ . 1]" 1
64 1 8 ILE HB 1 9 THR H . . 4.520 4.269 4.202 4.327 . 0 0 "[ . 1]" 1
65 1 8 ILE MD 1 8 ILE MG . . 2.940 1.986 1.960 2.008 . 0 0 "[ . 1]" 1
66 1 8 ILE MD 1 9 THR H . . 4.400 3.890 3.790 3.963 . 0 0 "[ . 1]" 1
67 1 8 ILE MD 1 79 LEU QB . . 4.170 4.159 3.582 4.615 0.445 8 0 "[ . 1]" 1
68 1 8 ILE MD 1 79 LEU MD1 . . 4.620 4.027 3.204 4.705 0.085 7 0 "[ . 1]" 1
69 1 8 ILE MD 1 79 LEU QD . . 3.550 2.494 2.063 3.052 . 0 0 "[ . 1]" 1
70 1 8 ILE MD 1 79 LEU MD2 . . 4.620 2.530 2.088 3.201 . 0 0 "[ . 1]" 1
71 1 8 ILE MD 1 81 THR H . . 4.370 4.447 3.865 5.078 0.708 5 1 "[ + 1]" 1
72 1 8 ILE MD 1 81 THR MG . . 3.370 2.525 1.890 3.253 . 0 0 "[ . 1]" 1
73 1 8 ILE MD 1 84 GLY H . . 4.410 4.075 2.926 4.798 0.388 6 0 "[ . 1]" 1
74 1 8 ILE MD 1 84 GLY QA . . 4.220 3.967 3.154 4.710 0.490 3 0 "[ . 1]" 1
75 1 8 ILE MD 1 85 GLN H . . 3.980 4.912 4.312 5.719 1.739 5 8 "[-** +** **]" 1
76 1 8 ILE MD 1 85 GLN HA . . 3.730 4.073 3.094 4.830 1.100 2 4 "[ + - **1]" 1
77 1 8 ILE MD 1 86 ALA H . . 3.650 4.198 3.425 5.056 1.406 8 4 "[ ** . +-1]" 1
78 1 8 ILE MD 1 86 ALA HA . . 4.680 5.279 4.621 5.628 0.948 8 7 "[-** * *+*1]" 1
79 1 8 ILE MD 1 86 ALA MB . . 3.200 3.311 2.833 3.578 0.378 8 0 "[ . 1]" 1
80 1 8 ILE QG 1 85 GLN H . . 4.740 4.319 3.615 5.525 0.785 5 1 "[ + 1]" 1
81 1 8 ILE MG 1 9 THR H . . 3.450 2.979 2.878 3.123 . 0 0 "[ . 1]" 1
82 1 8 ILE MG 1 10 ARG H . . 3.270 2.365 1.798 2.615 . 0 0 "[ . 1]" 1
83 1 8 ILE MG 1 11 PRO HA . . 3.030 2.977 2.549 3.466 0.436 9 0 "[ . 1]" 1
84 1 8 ILE MG 1 11 PRO QB . . 3.860 4.111 3.578 4.507 0.647 9 2 "[ . - +1]" 1
85 1 8 ILE MG 1 12 LEU H . . 4.620 4.582 4.078 5.118 0.498 7 0 "[ . 1]" 1
86 1 8 ILE MG 1 27 CYS QB . . 5.340 3.665 2.482 4.345 . 0 0 "[ . 1]" 1
87 1 8 ILE MG 1 28 GLU H . . 4.110 3.598 2.868 4.050 . 0 0 "[ . 1]" 1
88 1 8 ILE MG 1 29 VAL HA . . 4.460 3.905 3.495 4.290 . 0 0 "[ . 1]" 1
89 1 8 ILE MG 1 86 ALA MB . . 3.060 2.416 1.787 3.139 0.079 8 0 "[ . 1]" 1
90 1 9 THR H 1 9 THR MG . . 3.410 3.333 2.057 3.798 0.388 7 0 "[ . 1]" 1
91 1 9 THR H 1 10 ARG H . . 2.870 2.409 2.252 2.695 . 0 0 "[ . 1]" 1
92 1 9 THR H 1 10 ARG QB . . 4.800 4.534 4.056 4.993 0.193 8 0 "[ . 1]" 1
93 1 9 THR H 1 10 ARG QG . . 5.500 4.579 4.253 5.494 . 0 0 "[ . 1]" 1
94 1 9 THR H 1 28 GLU QG . . 4.520 3.939 2.867 4.771 0.251 8 0 "[ . 1]" 1
95 1 9 THR H 1 29 VAL HA . . 3.240 2.638 1.987 3.364 0.124 5 0 "[ . 1]" 1
96 1 9 THR H 1 29 VAL HB . . 5.160 5.013 4.170 5.797 0.637 5 1 "[ + 1]" 1
97 1 9 THR HA 1 9 THR MG . . 3.330 2.387 2.159 3.211 . 0 0 "[ . 1]" 1
98 1 9 THR HA 1 10 ARG HA . . 4.990 4.523 4.402 4.610 . 0 0 "[ . 1]" 1
99 1 9 THR HA 1 11 PRO QD . . 4.890 4.567 3.896 5.061 0.171 8 0 "[ . 1]" 1
100 1 9 THR HB 1 10 ARG H . . 4.500 3.256 2.634 4.352 . 0 0 "[ . 1]" 1
101 1 9 THR MG 1 10 ARG H . . 4.180 3.838 3.052 4.352 0.172 3 0 "[ . 1]" 1
102 1 9 THR MG 1 29 VAL HA . . 4.860 4.690 3.733 5.542 0.682 2 1 "[ + . 1]" 1
103 1 9 THR MG 1 30 SER H . . 4.040 4.827 3.414 5.868 1.828 7 6 "[** .*+- *]" 1
104 1 9 THR MG 1 30 SER HA . . 3.660 4.180 3.165 5.284 1.624 7 5 "[ * .*+- *]" 1
105 1 9 THR MG 1 30 SER QB . . 4.160 3.903 2.147 5.083 0.923 7 3 "[ .-+ *]" 1
106 1 9 THR MG 1 60 GLN QE . . 5.500 4.442 3.200 5.560 0.060 3 0 "[ . 1]" 1
107 1 10 ARG H 1 10 ARG QB . . 3.280 2.569 2.400 2.656 . 0 0 "[ . 1]" 1
108 1 10 ARG H 1 11 PRO QB . . 5.500 5.759 5.421 6.018 0.518 10 1 "[ . +]" 1
109 1 10 ARG H 1 11 PRO HD2 . . 4.780 4.930 4.400 5.232 0.452 7 0 "[ . 1]" 1
110 1 10 ARG H 1 11 PRO QD . . 4.180 3.894 3.421 4.175 . 0 0 "[ . 1]" 1
111 1 10 ARG H 1 11 PRO HD3 . . 4.780 4.098 3.507 4.444 . 0 0 "[ . 1]" 1
112 1 10 ARG H 1 27 CYS HA . . 4.880 3.800 3.373 4.088 . 0 0 "[ . 1]" 1
113 1 10 ARG H 1 28 GLU H . . 3.500 2.726 2.430 3.059 . 0 0 "[ . 1]" 1
114 1 10 ARG H 1 28 GLU QG . . 4.070 3.509 2.470 4.789 0.719 6 1 "[ .+ 1]" 1
115 1 10 ARG H 1 29 VAL HA . . 4.440 4.495 4.115 5.181 0.741 5 1 "[ + 1]" 1
116 1 10 ARG H 1 30 SER H . . 5.500 6.253 5.921 6.533 1.033 7 8 "[ **** +*-*]" 1
117 1 10 ARG HA 1 11 PRO HD2 . . 3.410 2.334 1.954 2.621 . 0 0 "[ . 1]" 1
118 1 10 ARG HA 1 11 PRO QD . . 2.990 1.913 1.801 2.006 . 0 0 "[ . 1]" 1
119 1 10 ARG HA 1 11 PRO HD3 . . 3.410 2.143 1.839 2.630 . 0 0 "[ . 1]" 1
120 1 10 ARG QB 1 28 GLU H . . 3.160 1.861 1.679 2.358 . 0 0 "[ . 1]" 1
121 1 10 ARG QB 1 28 GLU QG . . 3.840 2.769 1.715 5.036 1.196 6 1 "[ .+ 1]" 1
122 1 11 PRO HA 1 12 LEU H . . 2.920 2.379 2.304 2.424 . 0 0 "[ . 1]" 1
123 1 11 PRO HA 1 12 LEU HA . . 4.350 4.333 4.292 4.371 0.021 9 0 "[ . 1]" 1
124 1 11 PRO HA 1 28 GLU H . . 5.500 6.110 5.057 6.602 1.102 9 7 "[ ** - **+*]" 1
125 1 11 PRO HA 1 86 ALA MB . . 3.630 3.314 2.443 4.010 0.380 8 0 "[ . 1]" 1
126 1 11 PRO QB 1 12 LEU H . . 3.200 2.676 2.514 2.889 . 0 0 "[ . 1]" 1
127 1 11 PRO QB 1 86 ALA MB . . 3.710 4.049 3.353 4.627 0.917 2 4 "[ + . **-]" 1
128 1 11 PRO QB 1 87 LEU H . . 5.110 5.865 5.292 6.548 1.438 6 7 "[ -*+****]" 1
129 1 11 PRO QG 1 12 LEU H . . 4.250 4.358 4.113 4.616 0.366 10 0 "[ . 1]" 1
130 1 12 LEU H 1 12 LEU QB . . 2.740 2.377 2.278 2.455 . 0 0 "[ . 1]" 1
131 1 12 LEU H 1 12 LEU MD1 . . 4.040 3.649 3.388 3.743 . 0 0 "[ . 1]" 1
132 1 12 LEU H 1 12 LEU QD . . 3.480 2.660 1.985 3.254 . 0 0 "[ . 1]" 1
133 1 12 LEU H 1 12 LEU MD2 . . 4.040 2.800 1.998 3.620 . 0 0 "[ . 1]" 1
134 1 12 LEU H 1 13 GLU H . . 4.620 4.566 4.528 4.589 . 0 0 "[ . 1]" 1
135 1 12 LEU H 1 27 CYS QB . . 5.340 5.102 4.114 5.653 0.313 6 0 "[ . 1]" 1
136 1 12 LEU H 1 86 ALA HA . . 5.500 5.777 4.994 6.517 1.017 6 4 "[ -*+ * 1]" 1
137 1 12 LEU H 1 86 ALA MB . . 3.380 3.460 2.833 3.903 0.523 6 1 "[ .+ 1]" 1
138 1 12 LEU HA 1 12 LEU QD . . 3.580 1.941 1.827 2.027 . 0 0 "[ . 1]" 1
139 1 12 LEU HA 1 13 GLU H . . 2.680 2.401 2.214 2.548 . 0 0 "[ . 1]" 1
140 1 12 LEU HA 1 88 ALA MB . . 4.120 4.158 3.860 4.313 0.193 7 0 "[ . 1]" 1
141 1 12 LEU QB 1 13 GLU H . . 3.260 2.385 2.086 2.766 . 0 0 "[ . 1]" 1
142 1 12 LEU QB 1 14 ASP H . . 5.490 5.234 5.058 5.324 . 0 0 "[ . 1]" 1
143 1 12 LEU QB 1 27 CYS QB . . 5.340 5.026 4.415 5.561 0.221 7 0 "[ . 1]" 1
144 1 12 LEU QB 1 77 TYR H . . 4.950 5.478 4.331 6.089 1.139 8 7 "[ - ****+ *]" 1
145 1 12 LEU QB 1 78 ALA HA . . 5.500 5.296 4.404 5.979 0.479 8 0 "[ . 1]" 1
146 1 12 LEU QB 1 88 ALA MB . . 2.790 1.839 1.759 2.009 . 0 0 "[ . 1]" 1
147 1 12 LEU QD 1 13 GLU H . . 3.430 3.175 2.914 3.337 . 0 0 "[ . 1]" 1
148 1 12 LEU QD 1 27 CYS H . . 4.740 4.520 3.994 5.014 0.274 10 0 "[ . 1]" 1
149 1 12 LEU QD 1 27 CYS QB . . 3.290 2.367 1.881 2.765 . 0 0 "[ . 1]" 1
150 1 12 LEU QD 1 28 GLU H . . 5.440 5.420 4.557 5.916 0.476 2 0 "[ . 1]" 1
151 1 12 LEU QD 1 38 TRP HH2 . . 3.430 2.554 2.070 3.707 0.277 9 0 "[ . 1]" 1
152 1 12 LEU QD 1 38 TRP HZ2 . . 4.270 4.430 4.012 5.447 1.177 9 2 "[- . +1]" 1
153 1 12 LEU QD 1 78 ALA HA . . 4.060 3.619 2.666 4.749 0.689 5 1 "[ + 1]" 1
154 1 12 LEU QD 1 79 LEU H . . 3.460 3.311 2.810 4.098 0.638 5 1 "[ + 1]" 1
155 1 12 LEU QD 1 88 ALA H . . 4.240 3.517 2.874 4.312 0.072 4 0 "[ . 1]" 1
156 1 12 LEU QD 1 88 ALA HA . . 5.390 4.917 4.395 5.340 . 0 0 "[ . 1]" 1
157 1 12 LEU MD1 1 13 GLU H . . 4.690 3.730 2.948 4.704 0.014 8 0 "[ . 1]" 1
158 1 12 LEU MD1 1 27 CYS HB2 . . 5.500 4.087 2.012 5.544 0.044 10 0 "[ . 1]" 1
159 1 12 LEU MD1 1 27 CYS HB3 . . 5.500 4.065 1.942 5.872 0.372 2 0 "[ . 1]" 1
160 1 12 LEU MD2 1 13 GLU H . . 4.690 4.003 3.285 4.750 0.060 5 0 "[ . 1]" 1
161 1 12 LEU MD2 1 27 CYS HB2 . . 5.500 3.164 2.498 4.241 . 0 0 "[ . 1]" 1
162 1 12 LEU MD2 1 27 CYS HB3 . . 5.500 3.295 2.393 3.863 . 0 0 "[ . 1]" 1
163 1 12 LEU HG 1 27 CYS QB . . 5.120 4.418 3.228 5.311 0.191 7 0 "[ . 1]" 1
164 1 12 LEU HG 1 78 ALA HA . . 5.500 5.024 3.218 6.527 1.027 8 2 "[ .- + 1]" 1
165 1 13 GLU H 1 13 GLU HB2 . . 3.640 2.706 2.308 3.586 . 0 0 "[ . 1]" 1
166 1 13 GLU H 1 13 GLU QB . . 3.020 2.480 2.280 2.825 . 0 0 "[ . 1]" 1
167 1 13 GLU H 1 13 GLU HB3 . . 3.640 3.399 2.485 3.593 . 0 0 "[ . 1]" 1
168 1 13 GLU H 1 13 GLU QG . . 3.540 2.403 1.733 3.330 . 0 0 "[ . 1]" 1
169 1 13 GLU H 1 15 GLN QE . . 5.010 4.831 4.511 4.997 . 0 0 "[ . 1]" 1
170 1 13 GLU H 1 88 ALA MB . . 4.180 3.935 3.080 4.250 0.070 8 0 "[ . 1]" 1
171 1 13 GLU HA 1 14 ASP H . . 2.440 2.107 2.052 2.141 . 0 0 "[ . 1]" 1
172 1 13 GLU HA 1 15 GLN H . . 4.710 3.491 3.241 3.741 . 0 0 "[ . 1]" 1
173 1 13 GLU QB 1 14 ASP H . . 3.490 3.299 3.065 3.381 . 0 0 "[ . 1]" 1
174 1 13 GLU QB 1 15 GLN H . . 3.990 2.952 2.792 3.045 . 0 0 "[ . 1]" 1
175 1 13 GLU QB 1 15 GLN QE . . 3.460 1.856 1.763 2.125 . 0 0 "[ . 1]" 1
176 1 13 GLU QB 1 23 VAL QG . . 4.830 3.752 3.070 4.977 0.147 8 0 "[ . 1]" 1
177 1 13 GLU HB2 1 15 GLN QE . . 4.110 2.972 2.004 3.388 . 0 0 "[ . 1]" 1
178 1 13 GLU HB3 1 15 GLN QE . . 4.110 2.029 1.777 3.270 . 0 0 "[ . 1]" 1
179 1 13 GLU QG 1 14 ASP H . . 4.480 4.456 3.977 4.810 0.330 4 0 "[ . 1]" 1
180 1 14 ASP H 1 14 ASP QB . . 3.030 2.665 2.581 2.727 . 0 0 "[ . 1]" 1
181 1 14 ASP H 1 15 GLN HA . . 4.840 4.803 4.773 4.845 0.005 1 0 "[ . 1]" 1
182 1 14 ASP H 1 15 GLN QE . . 4.840 4.353 3.815 4.871 0.031 5 0 "[ . 1]" 1
183 1 14 ASP H 1 88 ALA MB . . 4.100 4.381 3.927 4.814 0.714 8 2 "[ .- + 1]" 1
184 1 14 ASP H 1 89 GLU H . . 5.500 6.521 6.313 6.643 1.143 1 10 [+*-*******] 1
185 1 14 ASP HA 1 15 GLN H . . 3.420 3.353 3.314 3.386 . 0 0 "[ . 1]" 1
186 1 14 ASP HA 1 88 ALA MB . . 3.290 3.056 2.585 3.568 0.278 6 0 "[ . 1]" 1
187 1 14 ASP HA 1 89 GLU H . . 3.270 3.887 3.586 4.138 0.868 5 8 "[** *+** *-]" 1
188 1 14 ASP QB 1 15 GLN H . . 4.380 3.810 3.704 3.896 . 0 0 "[ . 1]" 1
189 1 14 ASP QB 1 89 GLU H . . 4.240 4.456 3.996 5.374 1.134 9 3 "[-* . +1]" 1
190 1 15 GLN H 1 15 GLN QB . . 3.220 2.568 2.497 2.695 . 0 0 "[ . 1]" 1
191 1 15 GLN H 1 15 GLN QE . . 3.990 3.392 3.238 3.468 . 0 0 "[ . 1]" 1
192 1 15 GLN H 1 15 GLN QG . . 3.860 3.215 2.922 3.320 . 0 0 "[ . 1]" 1
193 1 15 GLN H 1 16 LEU H . . 4.890 4.575 4.565 4.584 . 0 0 "[ . 1]" 1
194 1 15 GLN H 1 90 LEU QD . . 4.660 4.154 3.577 5.013 0.353 9 0 "[ . 1]" 1
195 1 15 GLN HA 1 15 GLN QE . . 5.030 5.057 4.981 5.138 0.108 4 0 "[ . 1]" 1
196 1 15 GLN HA 1 16 LEU H . . 2.620 2.355 2.293 2.468 . 0 0 "[ . 1]" 1
197 1 15 GLN QB 1 15 GLN QE . . 4.050 3.713 3.694 3.728 . 0 0 "[ . 1]" 1
198 1 15 GLN QB 1 16 LEU H . . 4.260 2.499 2.381 2.671 . 0 0 "[ . 1]" 1
199 1 15 GLN QE 1 16 LEU H . . 5.370 5.226 4.828 5.630 0.260 4 0 "[ . 1]" 1
200 1 15 GLN QE 1 23 VAL QG . . 4.520 3.437 2.926 4.187 . 0 0 "[ . 1]" 1
201 1 15 GLN QE 1 24 GLU H . . 5.500 5.584 4.810 6.065 0.565 7 2 "[ - + 1]" 1
202 1 15 GLN QE 1 90 LEU QD . . 4.980 3.554 3.037 4.352 . 0 0 "[ . 1]" 1
203 1 15 GLN QG 1 16 LEU H . . 3.470 3.258 2.891 3.496 0.026 4 0 "[ . 1]" 1
204 1 15 GLN QG 1 17 VAL H . . 4.990 4.882 4.479 5.227 0.237 4 0 "[ . 1]" 1
205 1 15 GLN QG 1 17 VAL QG . . 4.070 2.757 2.238 3.287 . 0 0 "[ . 1]" 1
206 1 16 LEU H 1 16 LEU QB . . 3.170 2.232 2.104 2.280 . 0 0 "[ . 1]" 1
207 1 16 LEU H 1 16 LEU QD . . 3.600 3.722 3.671 3.788 0.188 9 0 "[ . 1]" 1
208 1 16 LEU H 1 17 VAL H . . 4.780 4.544 4.513 4.574 . 0 0 "[ . 1]" 1
209 1 16 LEU HA 1 16 LEU QD . . 3.840 2.943 2.501 3.104 . 0 0 "[ . 1]" 1
210 1 16 LEU HA 1 17 VAL H . . 2.700 2.195 2.146 2.239 . 0 0 "[ . 1]" 1
211 1 16 LEU HA 1 17 VAL QG . . 3.980 3.205 3.121 3.252 . 0 0 "[ . 1]" 1
212 1 16 LEU HA 1 91 ILE H . . 3.160 2.977 2.835 3.231 0.071 5 0 "[ . 1]" 1
213 1 16 LEU HA 1 91 ILE HB . . 4.220 3.097 2.261 3.781 . 0 0 "[ . 1]" 1
214 1 16 LEU HA 1 91 ILE MD . . 5.180 4.429 3.369 5.106 . 0 0 "[ . 1]" 1
215 1 16 LEU HA 1 91 ILE MG . . 4.700 4.420 3.829 4.941 0.241 4 0 "[ . 1]" 1
216 1 16 LEU HA 1 92 VAL H . . 5.500 5.762 5.218 6.115 0.615 9 2 "[ -. +1]" 1
217 1 16 LEU HA 1 92 VAL QG . . 5.160 4.928 4.496 5.172 0.012 10 0 "[ . 1]" 1
218 1 16 LEU QB 1 91 ILE H . . 4.010 4.380 4.027 5.098 1.088 5 2 "[ + -1]" 1
219 1 16 LEU QB 1 91 ILE HB . . 4.100 3.195 2.466 3.746 . 0 0 "[ . 1]" 1
220 1 16 LEU QB 1 91 ILE MD . . 4.600 3.479 2.925 3.977 . 0 0 "[ . 1]" 1
221 1 16 LEU QB 1 91 ILE MG . . 3.930 4.060 3.361 4.413 0.483 4 0 "[ . 1]" 1
222 1 16 LEU QD 1 17 VAL H . . 3.650 2.461 1.901 2.737 . 0 0 "[ . 1]" 1
223 1 16 LEU QD 1 91 ILE HB . . 3.400 2.394 2.142 2.616 . 0 0 "[ . 1]" 1
224 1 16 LEU QD 1 93 GLN QB . . 3.820 2.887 2.414 3.340 . 0 0 "[ . 1]" 1
225 1 16 LEU QD 1 93 GLN HE21 . . 3.980 2.197 1.724 2.834 . 0 0 "[ . 1]" 1
226 1 16 LEU QD 1 93 GLN QE . . 4.510 2.120 1.702 2.755 . 0 0 "[ . 1]" 1
227 1 16 LEU QD 1 93 GLN HE22 . . 3.980 2.992 2.569 4.118 0.138 3 0 "[ . 1]" 1
228 1 16 LEU QD 1 93 GLN QG . . 3.730 1.993 1.670 2.396 . 0 0 "[ . 1]" 1
229 1 16 LEU HG 1 17 VAL H . . 3.890 2.923 2.558 3.654 . 0 0 "[ . 1]" 1
230 1 17 VAL H 1 17 VAL HB . . 4.090 3.814 3.786 3.840 . 0 0 "[ . 1]" 1
231 1 17 VAL H 1 17 VAL QG . . 3.110 2.102 2.054 2.155 . 0 0 "[ . 1]" 1
232 1 17 VAL H 1 18 MET H . . 4.570 4.437 4.415 4.495 . 0 0 "[ . 1]" 1
233 1 17 VAL H 1 91 ILE H . . 3.720 3.816 3.635 4.087 0.367 6 0 "[ . 1]" 1
234 1 17 VAL H 1 91 ILE HB . . 5.250 3.987 3.530 4.481 . 0 0 "[ . 1]" 1
235 1 17 VAL H 1 91 ILE MG . . 4.870 4.490 4.358 4.871 0.001 4 0 "[ . 1]" 1
236 1 17 VAL H 1 92 VAL H . . 5.170 4.959 4.733 5.206 0.036 4 0 "[ . 1]" 1
237 1 17 VAL H 1 92 VAL HA . . 3.690 3.126 2.675 3.329 . 0 0 "[ . 1]" 1
238 1 17 VAL H 1 92 VAL QG . . 4.610 3.628 3.282 3.833 . 0 0 "[ . 1]" 1
239 1 17 VAL H 1 93 GLN H . . 4.520 4.128 3.901 4.483 . 0 0 "[ . 1]" 1
240 1 17 VAL HA 1 17 VAL QG . . 3.330 2.297 2.263 2.323 . 0 0 "[ . 1]" 1
241 1 17 VAL HA 1 18 MET H . . 2.700 2.544 2.362 2.604 . 0 0 "[ . 1]" 1
242 1 17 VAL HA 1 21 GLN QE . . 3.290 3.069 2.441 3.653 0.363 7 0 "[ . 1]" 1
243 1 17 VAL HB 1 18 MET H . . 2.810 2.133 2.030 2.449 . 0 0 "[ . 1]" 1
244 1 17 VAL HB 1 21 GLN QE . . 4.650 2.305 1.741 3.508 . 0 0 "[ . 1]" 1
245 1 17 VAL HB 1 23 VAL QG . . 5.130 2.890 2.520 3.471 . 0 0 "[ . 1]" 1
246 1 17 VAL QG 1 18 MET H . . 3.480 2.956 2.892 3.167 . 0 0 "[ . 1]" 1
247 1 17 VAL QG 1 18 MET HA . . 4.450 3.744 3.583 3.954 . 0 0 "[ . 1]" 1
248 1 17 VAL QG 1 21 GLN QE . . 5.320 2.564 2.181 3.360 . 0 0 "[ . 1]" 1
249 1 17 VAL QG 1 21 GLN QG . . 4.290 3.475 3.151 3.729 . 0 0 "[ . 1]" 1
250 1 17 VAL QG 1 23 VAL HA . . 4.900 4.279 3.603 4.779 . 0 0 "[ . 1]" 1
251 1 17 VAL QG 1 23 VAL HB . . 4.510 3.856 3.432 4.349 . 0 0 "[ . 1]" 1
252 1 17 VAL QG 1 92 VAL HA . . 3.730 2.562 2.301 2.827 . 0 0 "[ . 1]" 1
253 1 18 MET H 1 18 MET QB . . 3.060 2.734 2.501 3.033 . 0 0 "[ . 1]" 1
254 1 18 MET H 1 18 MET ME . . 4.600 4.110 3.424 4.949 0.349 10 0 "[ . 1]" 1
255 1 18 MET H 1 18 MET QG . . 3.280 2.550 2.082 3.204 . 0 0 "[ . 1]" 1
256 1 18 MET H 1 21 GLN QG . . 4.270 3.114 2.548 3.622 . 0 0 "[ . 1]" 1
257 1 18 MET H 1 93 GLN H . . 5.060 4.714 4.292 5.008 . 0 0 "[ . 1]" 1
258 1 18 MET HA 1 19 VAL H . . 2.570 2.320 2.252 2.398 . 0 0 "[ . 1]" 1
259 1 18 MET HA 1 19 VAL QG . . 4.180 3.584 3.405 3.901 . 0 0 "[ . 1]" 1
260 1 18 MET HA 1 92 VAL HA . . 4.220 3.504 3.171 3.807 . 0 0 "[ . 1]" 1
261 1 18 MET HA 1 92 VAL QG . . 4.170 2.918 2.659 3.142 . 0 0 "[ . 1]" 1
262 1 18 MET HA 1 93 GLN H . . 3.170 2.452 2.003 2.802 . 0 0 "[ . 1]" 1
263 1 18 MET HA 1 94 GLU H . . 5.500 5.412 5.189 5.692 0.192 6 0 "[ . 1]" 1
264 1 18 MET QB 1 21 GLN QG . . 4.390 4.081 3.226 5.460 1.070 5 1 "[ + 1]" 1
265 1 18 MET QG 1 19 VAL H . . 4.340 3.767 3.541 4.369 0.029 7 0 "[ . 1]" 1
266 1 18 MET QG 1 21 GLN QG . . 4.820 3.990 2.527 5.249 0.429 2 0 "[ . 1]" 1
267 1 19 VAL H 1 19 VAL HB . . 2.880 2.504 2.383 2.588 . 0 0 "[ . 1]" 1
268 1 19 VAL H 1 19 VAL MG1 . . 4.060 3.588 2.058 3.774 . 0 0 "[ . 1]" 1
269 1 19 VAL H 1 19 VAL QG . . 2.740 2.078 1.972 2.236 . 0 0 "[ . 1]" 1
270 1 19 VAL H 1 19 VAL MG2 . . 4.060 2.259 1.979 3.762 . 0 0 "[ . 1]" 1
271 1 19 VAL H 1 20 GLY H . . 4.820 4.605 4.552 4.637 . 0 0 "[ . 1]" 1
272 1 19 VAL H 1 92 VAL HA . . 5.240 4.849 4.673 4.998 . 0 0 "[ . 1]" 1
273 1 19 VAL H 1 92 VAL QG . . 3.310 2.882 2.720 3.079 . 0 0 "[ . 1]" 1
274 1 19 VAL H 1 93 GLN H . . 3.880 3.924 3.614 4.070 0.190 4 0 "[ . 1]" 1
275 1 19 VAL H 1 94 GLU H . . 5.030 4.914 4.644 5.204 0.174 6 0 "[ . 1]" 1
276 1 19 VAL H 1 94 GLU HA . . 3.580 3.268 2.856 3.819 0.239 6 0 "[ . 1]" 1
277 1 19 VAL HA 1 19 VAL MG1 . . 3.340 2.512 2.371 3.213 . 0 0 "[ . 1]" 1
278 1 19 VAL HA 1 19 VAL MG2 . . 3.340 2.371 2.290 2.424 . 0 0 "[ . 1]" 1
279 1 19 VAL HA 1 20 GLY H . . 2.720 2.205 2.158 2.240 . 0 0 "[ . 1]" 1
280 1 19 VAL HA 1 21 GLN H . . 3.760 3.559 3.397 3.742 . 0 0 "[ . 1]" 1
281 1 19 VAL HA 1 69 ALA H . . 4.990 4.565 4.188 4.875 . 0 0 "[ . 1]" 1
282 1 19 VAL HA 1 69 ALA MB . . 3.770 2.654 1.945 3.265 . 0 0 "[ . 1]" 1
283 1 19 VAL HA 1 92 VAL QG . . 3.480 2.594 2.311 2.884 . 0 0 "[ . 1]" 1
284 1 19 VAL HB 1 20 GLY H . . 4.130 4.084 3.976 4.160 0.030 10 0 "[ . 1]" 1
285 1 19 VAL HB 1 21 GLN H . . 5.500 5.476 5.120 5.778 0.278 9 0 "[ . 1]" 1
286 1 19 VAL QG 1 20 GLY H . . 3.160 2.430 2.312 2.652 . 0 0 "[ . 1]" 1
287 1 19 VAL QG 1 21 GLN H . . 4.350 4.182 4.055 4.351 0.001 10 0 "[ . 1]" 1
288 1 19 VAL QG 1 70 MET HA . . 3.450 2.092 1.859 2.531 . 0 0 "[ . 1]" 1
289 1 19 VAL QG 1 71 LEU H . . 3.770 3.003 2.725 3.252 . 0 0 "[ . 1]" 1
290 1 19 VAL QG 1 71 LEU HA . . 4.700 3.335 2.633 4.080 . 0 0 "[ . 1]" 1
291 1 19 VAL QG 1 71 LEU QD . . 3.870 2.172 1.799 2.626 . 0 0 "[ . 1]" 1
292 1 19 VAL QG 1 92 VAL QG . . 2.940 1.995 1.807 2.664 . 0 0 "[ . 1]" 1
293 1 19 VAL QG 1 93 GLN H . . 4.580 4.015 3.465 4.722 0.142 9 0 "[ . 1]" 1
294 1 19 VAL QG 1 94 GLU H . . 4.090 3.681 3.338 3.985 . 0 0 "[ . 1]" 1
295 1 19 VAL QG 1 94 GLU HA . . 3.310 2.160 1.784 2.454 . 0 0 "[ . 1]" 1
296 1 19 VAL QG 1 94 GLU QG . . 3.890 3.002 2.095 4.395 0.505 5 1 "[ + 1]" 1
297 1 19 VAL QG 1 95 LYS H . . 4.190 3.299 2.102 3.901 . 0 0 "[ . 1]" 1
298 1 19 VAL MG1 1 20 GLY H . . 4.220 2.596 2.329 3.742 . 0 0 "[ . 1]" 1
299 1 19 VAL MG1 1 70 MET HA . . 4.360 2.478 1.954 4.728 0.368 9 0 "[ . 1]" 1
300 1 19 VAL MG1 1 71 LEU H . . 4.350 3.696 3.072 4.884 0.534 9 1 "[ . +1]" 1
301 1 19 VAL MG1 1 94 GLU HA . . 4.500 3.656 1.788 4.465 . 0 0 "[ . 1]" 1
302 1 19 VAL MG2 1 20 GLY H . . 4.220 3.765 2.337 4.079 . 0 0 "[ . 1]" 1
303 1 19 VAL MG2 1 70 MET HA . . 4.360 2.740 1.860 3.560 . 0 0 "[ . 1]" 1
304 1 19 VAL MG2 1 71 LEU H . . 4.350 3.268 2.739 3.566 . 0 0 "[ . 1]" 1
305 1 19 VAL MG2 1 94 GLU HA . . 4.500 2.371 1.902 3.776 . 0 0 "[ . 1]" 1
306 1 20 GLY H 1 21 GLN H . . 3.070 2.598 2.409 2.785 . 0 0 "[ . 1]" 1
307 1 20 GLY H 1 23 VAL QG . . 5.440 5.352 5.166 5.684 0.244 5 0 "[ . 1]" 1
308 1 20 GLY H 1 66 ILE MG . . 5.500 5.821 5.350 6.529 1.029 8 1 "[ . + 1]" 1
309 1 20 GLY H 1 68 GLU QB . . 4.590 3.726 3.039 4.399 . 0 0 "[ . 1]" 1
310 1 20 GLY H 1 68 GLU QG . . 4.760 5.178 4.564 5.761 1.001 6 6 "[ **.+*-*1]" 1
311 1 20 GLY H 1 69 ALA H . . 3.680 3.365 3.107 3.588 . 0 0 "[ . 1]" 1
312 1 20 GLY H 1 69 ALA MB . . 3.550 2.856 2.438 3.468 . 0 0 "[ . 1]" 1
313 1 20 GLY H 1 70 MET HA . . 4.810 3.978 3.667 4.572 . 0 0 "[ . 1]" 1
314 1 20 GLY H 1 92 VAL QG . . 4.910 4.132 3.840 4.518 . 0 0 "[ . 1]" 1
315 1 20 GLY QA 1 21 GLN H . . 3.310 2.907 2.851 2.950 . 0 0 "[ . 1]" 1
316 1 20 GLY QA 1 68 GLU HA . . 4.660 3.999 3.343 4.641 . 0 0 "[ . 1]" 1
317 1 20 GLY QA 1 68 GLU QG . . 4.080 3.823 2.742 4.402 0.322 4 0 "[ . 1]" 1
318 1 20 GLY QA 1 69 ALA H . . 5.380 4.204 3.766 4.586 . 0 0 "[ . 1]" 1
319 1 21 GLN H 1 21 GLN HB3 . . 2.920 2.791 2.193 3.017 0.097 2 0 "[ . 1]" 1
320 1 21 GLN H 1 21 GLN QG . . 3.060 2.341 2.022 3.843 0.783 5 1 "[ + 1]" 1
321 1 21 GLN H 1 68 GLU HA . . 4.970 4.417 3.688 4.878 . 0 0 "[ . 1]" 1
322 1 21 GLN H 1 69 ALA H . . 3.560 3.428 3.019 3.792 0.232 9 0 "[ . 1]" 1
323 1 21 GLN H 1 69 ALA HA . . 5.500 5.513 5.052 5.797 0.297 4 0 "[ . 1]" 1
324 1 21 GLN H 1 69 ALA MB . . 3.420 2.915 2.485 3.228 . 0 0 "[ . 1]" 1
325 1 21 GLN HA 1 21 GLN QG . . 3.700 3.281 2.705 3.351 . 0 0 "[ . 1]" 1
326 1 21 GLN HA 1 22 ARG H . . 2.640 2.362 2.140 2.461 . 0 0 "[ . 1]" 1
327 1 21 GLN HA 1 69 ALA H . . 4.580 4.611 4.374 4.845 0.265 4 0 "[ . 1]" 1
328 1 21 GLN HB2 1 22 ARG H . . 3.210 2.634 2.374 3.974 0.764 5 1 "[ + 1]" 1
329 1 21 GLN QE 1 21 GLN QG . . 3.100 2.142 2.096 2.224 . 0 0 "[ . 1]" 1
330 1 21 GLN QE 1 23 VAL QG . . 4.400 2.887 1.760 4.310 . 0 0 "[ . 1]" 1
331 1 21 GLN QG 1 22 ARG H . . 4.060 3.386 2.753 3.897 . 0 0 "[ . 1]" 1
332 1 21 GLN QG 1 69 ALA H . . 4.910 3.943 3.693 4.437 . 0 0 "[ . 1]" 1
333 1 22 ARG H 1 22 ARG QB . . 2.960 2.260 2.168 2.313 . 0 0 "[ . 1]" 1
334 1 22 ARG H 1 22 ARG QD . . 4.490 4.490 3.932 4.800 0.310 4 0 "[ . 1]" 1
335 1 22 ARG H 1 22 ARG QG . . 3.970 3.849 2.847 4.005 0.035 4 0 "[ . 1]" 1
336 1 22 ARG H 1 23 VAL H . . 4.660 4.500 4.401 4.555 . 0 0 "[ . 1]" 1
337 1 22 ARG H 1 23 VAL QG . . 4.760 4.276 4.157 4.544 . 0 0 "[ . 1]" 1
338 1 22 ARG H 1 68 GLU HA . . 4.780 4.766 4.397 5.254 0.474 4 0 "[ . 1]" 1
339 1 22 ARG H 1 69 ALA H . . 5.020 4.912 4.706 5.139 0.119 4 0 "[ . 1]" 1
340 1 22 ARG HA 1 23 VAL H . . 2.800 2.165 2.116 2.224 . 0 0 "[ . 1]" 1
341 1 22 ARG HA 1 66 ILE H . . 4.740 5.420 5.132 5.823 1.083 7 8 "[- ***+***]" 1
342 1 22 ARG HA 1 67 ASN HA . . 4.600 3.788 3.248 4.553 . 0 0 "[ . 1]" 1
343 1 22 ARG HA 1 69 ALA H . . 3.970 3.521 3.202 3.896 . 0 0 "[ . 1]" 1
344 1 22 ARG QB 1 22 ARG QD . . 3.490 2.247 2.086 2.387 . 0 0 "[ . 1]" 1
345 1 22 ARG QB 1 65 ILE MG . . 5.230 4.588 3.859 5.525 0.295 7 0 "[ . 1]" 1
346 1 22 ARG QB 1 67 ASN HA . . 4.220 3.666 2.820 4.376 0.156 7 0 "[ . 1]" 1
347 1 22 ARG QB 1 68 GLU H . . 5.500 5.579 5.013 6.166 0.666 10 1 "[ . +]" 1
348 1 22 ARG QD 1 65 ILE MG . . 4.570 3.294 2.205 4.405 . 0 0 "[ . 1]" 1
349 1 22 ARG QG 1 23 VAL H . . 3.750 2.829 2.419 3.225 . 0 0 "[ . 1]" 1
350 1 22 ARG QG 1 65 ILE MG . . 4.070 3.073 2.305 3.879 . 0 0 "[ . 1]" 1
351 1 22 ARG QG 1 67 ASN H . . 5.500 4.921 4.193 6.418 0.918 8 1 "[ . + 1]" 1
352 1 23 VAL H 1 23 VAL HB . . 3.400 2.840 2.651 3.791 0.391 8 0 "[ . 1]" 1
353 1 23 VAL H 1 23 VAL MG1 . . 4.030 3.820 3.153 3.919 . 0 0 "[ . 1]" 1
354 1 23 VAL H 1 23 VAL QG . . 3.140 2.590 2.128 2.769 . 0 0 "[ . 1]" 1
355 1 23 VAL H 1 23 VAL MG2 . . 4.030 2.636 2.163 2.832 . 0 0 "[ . 1]" 1
356 1 23 VAL H 1 24 GLU H . . 4.620 4.316 4.206 4.417 . 0 0 "[ . 1]" 1
357 1 23 VAL H 1 66 ILE HB . . 3.350 2.815 2.612 3.313 . 0 0 "[ . 1]" 1
358 1 23 VAL HA 1 23 VAL MG1 . . 3.360 2.354 2.268 2.407 . 0 0 "[ . 1]" 1
359 1 23 VAL HA 1 23 VAL MG2 . . 3.360 2.520 2.390 3.205 . 0 0 "[ . 1]" 1
360 1 23 VAL HA 1 24 GLU H . . 2.600 2.172 2.126 2.242 . 0 0 "[ . 1]" 1
361 1 23 VAL HA 1 24 GLU QG . . 4.520 4.074 3.412 5.806 1.286 2 1 "[ + . 1]" 1
362 1 23 VAL HB 1 66 ILE H . . 4.290 4.213 3.275 5.001 0.711 8 2 "[ . -+ 1]" 1
363 1 23 VAL HB 1 66 ILE HB . . 3.630 2.741 2.154 3.933 0.303 8 0 "[ . 1]" 1
364 1 23 VAL HB 1 66 ILE MD . . 3.840 3.157 2.398 4.761 0.921 5 1 "[ + 1]" 1
365 1 23 VAL HB 1 66 ILE MG . . 4.150 3.744 3.355 4.848 0.698 8 1 "[ . + 1]" 1
366 1 23 VAL HB 1 69 ALA MB . . 4.180 3.471 2.709 4.260 0.080 8 0 "[ . 1]" 1
367 1 23 VAL QG 1 24 GLU H . . 3.150 2.703 2.348 3.511 0.361 8 0 "[ . 1]" 1
368 1 23 VAL QG 1 24 GLU HA . . 4.280 3.725 3.451 4.059 . 0 0 "[ . 1]" 1
369 1 23 VAL QG 1 25 PHE H . . 5.070 4.302 4.045 4.939 . 0 0 "[ . 1]" 1
370 1 23 VAL QG 1 25 PHE QD . . 3.670 3.568 3.097 4.099 0.429 8 0 "[ . 1]" 1
371 1 23 VAL QG 1 66 ILE H . . 4.810 4.143 3.390 4.665 . 0 0 "[ . 1]" 1
372 1 23 VAL QG 1 66 ILE MD . . 3.800 3.154 2.092 4.610 0.810 5 1 "[ + 1]" 1
373 1 23 VAL QG 1 69 ALA H . . 3.710 3.412 3.170 3.705 . 0 0 "[ . 1]" 1
374 1 23 VAL QG 1 69 ALA MB . . 2.760 2.063 1.897 2.463 . 0 0 "[ . 1]" 1
375 1 23 VAL MG1 1 24 GLU H . . 4.200 2.760 2.365 3.795 . 0 0 "[ . 1]" 1
376 1 23 VAL MG2 1 24 GLU H . . 4.200 4.098 3.986 4.180 . 0 0 "[ . 1]" 1
377 1 24 GLU H 1 24 GLU QB . . 3.550 2.601 2.344 3.112 . 0 0 "[ . 1]" 1
378 1 24 GLU H 1 24 GLU QG . . 3.830 2.902 1.921 3.969 0.139 2 0 "[ . 1]" 1
379 1 24 GLU H 1 25 PHE H . . 4.430 4.369 4.290 4.478 0.048 3 0 "[ . 1]" 1
380 1 24 GLU H 1 25 PHE QD . . 4.800 5.191 4.637 5.699 0.899 3 5 "[ *+ ** -]" 1
381 1 24 GLU H 1 65 ILE HA . . 5.180 5.064 4.543 5.670 0.490 7 0 "[ . 1]" 1
382 1 24 GLU H 1 66 ILE H . . 5.110 4.794 4.582 5.195 0.085 2 0 "[ . 1]" 1
383 1 24 GLU H 1 66 ILE HB . . 5.500 5.405 5.023 5.877 0.377 1 0 "[ . 1]" 1
384 1 24 GLU HA 1 25 PHE H . . 2.870 2.149 2.099 2.204 . 0 0 "[ . 1]" 1
385 1 24 GLU HA 1 25 PHE HA . . 4.590 4.379 4.328 4.396 . 0 0 "[ . 1]" 1
386 1 24 GLU HA 1 64 LEU H . . 5.020 5.107 4.587 5.396 0.376 9 0 "[ . 1]" 1
387 1 24 GLU HA 1 65 ILE HA . . 3.700 2.408 2.085 2.923 . 0 0 "[ . 1]" 1
388 1 24 GLU HA 1 65 ILE MG . . 4.610 3.600 3.062 4.280 . 0 0 "[ . 1]" 1
389 1 24 GLU HA 1 66 ILE H . . 3.960 2.855 2.538 3.894 . 0 0 "[ . 1]" 1
390 1 24 GLU QB 1 25 PHE H . . 4.300 3.172 2.851 3.822 . 0 0 "[ . 1]" 1
391 1 24 GLU QB 1 65 ILE MG . . 4.370 3.549 2.066 4.142 . 0 0 "[ . 1]" 1
392 1 24 GLU QG 1 25 PHE H . . 4.190 3.950 3.289 4.307 0.117 8 0 "[ . 1]" 1
393 1 24 GLU QG 1 64 LEU H . . 5.500 5.871 5.045 6.536 1.036 8 3 "[* . +-1]" 1
394 1 24 GLU QG 1 65 ILE MD . . 4.230 4.248 3.213 5.483 1.253 8 3 "[ * . + -]" 1
395 1 24 GLU QG 1 65 ILE QG . . 4.900 2.907 1.707 4.559 . 0 0 "[ . 1]" 1
396 1 24 GLU QG 1 65 ILE MG . . 5.320 2.742 1.774 5.115 . 0 0 "[ . 1]" 1
397 1 25 PHE H 1 25 PHE HB2 . . 3.820 2.550 2.484 2.650 . 0 0 "[ . 1]" 1
398 1 25 PHE H 1 25 PHE QB . . 3.190 2.508 2.447 2.599 . 0 0 "[ . 1]" 1
399 1 25 PHE H 1 25 PHE HB3 . . 3.820 3.709 3.676 3.772 . 0 0 "[ . 1]" 1
400 1 25 PHE H 1 25 PHE QD . . 4.890 3.219 2.789 3.547 . 0 0 "[ . 1]" 1
401 1 25 PHE H 1 26 GLU H . . 4.350 4.296 4.117 4.463 0.113 1 0 "[ . 1]" 1
402 1 25 PHE H 1 63 HIS HA . . 4.700 5.011 4.263 5.804 1.104 9 2 "[ . -+1]" 1
403 1 25 PHE H 1 64 LEU H . . 3.550 3.363 2.870 3.934 0.384 9 0 "[ . 1]" 1
404 1 25 PHE H 1 64 LEU QB . . 4.210 3.251 3.007 3.877 . 0 0 "[ . 1]" 1
405 1 25 PHE H 1 64 LEU QD . . 5.500 4.175 3.546 4.868 . 0 0 "[ . 1]" 1
406 1 25 PHE H 1 64 LEU HG . . 4.720 4.146 3.628 5.026 0.306 2 0 "[ . 1]" 1
407 1 25 PHE H 1 65 ILE H . . 5.290 4.762 4.558 4.978 . 0 0 "[ . 1]" 1
408 1 25 PHE H 1 65 ILE MD . . 5.500 4.921 3.984 5.947 0.447 3 0 "[ . 1]" 1
409 1 25 PHE H 1 65 ILE QG . . 4.660 4.208 3.568 4.706 0.046 7 0 "[ . 1]" 1
410 1 25 PHE H 1 66 ILE H . . 5.180 4.060 3.751 4.434 . 0 0 "[ . 1]" 1
411 1 25 PHE HA 1 26 GLU H . . 2.650 2.160 2.101 2.216 . 0 0 "[ . 1]" 1
412 1 25 PHE HA 1 64 LEU H . . 4.870 4.753 4.497 4.977 0.107 8 0 "[ . 1]" 1
413 1 25 PHE QB 1 26 GLU H . . 3.700 3.336 3.052 3.546 . 0 0 "[ . 1]" 1
414 1 25 PHE QB 1 38 TRP HH2 . . 4.470 3.191 2.500 4.284 . 0 0 "[ . 1]" 1
415 1 25 PHE QB 1 38 TRP HZ2 . . 4.540 4.652 3.793 5.879 1.339 1 3 "[+ . -*1]" 1
416 1 25 PHE QB 1 64 LEU H . . 3.490 3.100 2.215 3.947 0.457 9 0 "[ . 1]" 1
417 1 25 PHE QD 1 26 GLU H . . 5.500 4.081 3.944 4.530 . 0 0 "[ . 1]" 1
418 1 26 GLU H 1 26 GLU QG . . 3.980 2.705 2.171 4.045 0.065 4 0 "[ . 1]" 1
419 1 26 GLU H 1 27 CYS H . . 4.590 4.314 4.213 4.427 . 0 0 "[ . 1]" 1
420 1 26 GLU H 1 38 TRP HH2 . . 5.500 5.938 5.091 6.386 0.886 4 6 "[*- +.*** 1]" 1
421 1 26 GLU HA 1 26 GLU QG . . 3.570 2.643 2.376 3.369 . 0 0 "[ . 1]" 1
422 1 26 GLU HA 1 27 CYS H . . 2.720 2.139 2.093 2.190 . 0 0 "[ . 1]" 1
423 1 26 GLU HA 1 27 CYS HA . . 4.940 4.371 4.338 4.405 . 0 0 "[ . 1]" 1
424 1 26 GLU HA 1 38 TRP HZ2 . . 5.470 5.980 5.368 6.537 1.067 6 6 "[** *.+ - *]" 1
425 1 26 GLU HA 1 63 HIS H . . 5.350 5.300 4.869 5.711 0.361 6 0 "[ . 1]" 1
426 1 26 GLU HA 1 63 HIS HA . . 3.830 2.600 2.106 3.188 . 0 0 "[ . 1]" 1
427 1 26 GLU HA 1 64 LEU H . . 4.040 3.429 2.397 4.356 0.316 2 0 "[ . 1]" 1
428 1 26 GLU QG 1 64 LEU H . . 5.500 4.732 3.334 5.529 0.029 7 0 "[ . 1]" 1
429 1 27 CYS H 1 27 CYS HB2 . . 4.020 3.474 3.078 3.846 . 0 0 "[ . 1]" 1
430 1 27 CYS H 1 27 CYS QB . . 3.470 2.898 2.603 3.192 . 0 0 "[ . 1]" 1
431 1 27 CYS H 1 27 CYS HB3 . . 4.020 3.106 2.808 3.417 . 0 0 "[ . 1]" 1
432 1 27 CYS H 1 28 GLU H . . 4.370 4.133 3.924 4.396 0.026 4 0 "[ . 1]" 1
433 1 27 CYS H 1 38 TRP HH2 . . 5.220 4.655 3.506 5.574 0.354 10 0 "[ . 1]" 1
434 1 27 CYS H 1 38 TRP HZ2 . . 5.070 5.019 4.432 5.602 0.532 4 1 "[ +. 1]" 1
435 1 27 CYS H 1 61 ARG HA . . 5.500 5.552 5.036 6.484 0.984 9 2 "[ . -+1]" 1
436 1 27 CYS H 1 62 HIS H . . 3.530 3.736 3.371 4.483 0.953 9 3 "[- . *+1]" 1
437 1 27 CYS H 1 62 HIS QB . . 5.090 3.803 3.383 4.093 . 0 0 "[ . 1]" 1
438 1 27 CYS H 1 63 HIS HA . . 3.990 3.189 2.879 3.357 . 0 0 "[ . 1]" 1
439 1 27 CYS H 1 64 LEU H . . 5.100 4.236 3.565 4.666 . 0 0 "[ . 1]" 1
440 1 27 CYS HA 1 28 GLU H . . 2.900 2.160 2.122 2.349 . 0 0 "[ . 1]" 1
441 1 27 CYS QB 1 28 GLU H . . 3.710 3.497 2.534 3.875 0.165 2 0 "[ . 1]" 1
442 1 27 CYS HB2 1 28 GLU H . . 4.340 3.847 2.571 4.456 0.116 2 0 "[ . 1]" 1
443 1 27 CYS HB3 1 28 GLU H . . 4.340 4.165 3.829 4.305 . 0 0 "[ . 1]" 1
444 1 28 GLU H 1 28 GLU QG . . 3.610 2.425 1.934 4.124 0.514 6 1 "[ .+ 1]" 1
445 1 28 GLU H 1 29 VAL H . . 4.390 4.385 4.275 4.434 0.044 8 0 "[ . 1]" 1
446 1 28 GLU H 1 29 VAL MG2 . . 5.500 5.556 5.373 5.805 0.305 5 0 "[ . 1]" 1
447 1 28 GLU H 1 61 ARG HA . . 5.260 4.928 4.597 5.256 . 0 0 "[ . 1]" 1
448 1 28 GLU HA 1 29 VAL H . . 2.890 2.317 2.187 2.500 . 0 0 "[ . 1]" 1
449 1 28 GLU HA 1 29 VAL MG2 . . 4.550 3.594 3.396 3.805 . 0 0 "[ . 1]" 1
450 1 28 GLU HA 1 61 ARG HA . . 3.750 2.651 2.023 3.557 . 0 0 "[ . 1]" 1
451 1 28 GLU HA 1 62 HIS H . . 3.850 2.886 2.584 3.185 . 0 0 "[ . 1]" 1
452 1 28 GLU QB 1 29 VAL H . . 4.320 2.725 2.230 3.657 . 0 0 "[ . 1]" 1
453 1 28 GLU QG 1 29 VAL H . . 3.850 3.704 2.573 4.777 0.927 2 2 "[ + - 1]" 1
454 1 28 GLU QG 1 60 GLN QE . . 4.330 4.069 3.131 4.608 0.278 2 0 "[ . 1]" 1
455 1 29 VAL H 1 29 VAL MG1 . . 3.490 2.814 2.544 2.997 . 0 0 "[ . 1]" 1
456 1 29 VAL H 1 29 VAL MG2 . . 3.140 1.957 1.814 2.123 . 0 0 "[ . 1]" 1
457 1 29 VAL H 1 31 GLU H . . 5.230 4.739 4.323 5.047 . 0 0 "[ . 1]" 1
458 1 29 VAL H 1 60 GLN HA . . 4.870 4.384 3.518 5.704 0.834 3 1 "[ + . 1]" 1
459 1 29 VAL H 1 60 GLN QB . . 4.420 3.362 2.576 4.100 . 0 0 "[ . 1]" 1
460 1 29 VAL H 1 60 GLN QE . . 4.680 3.893 3.431 4.658 . 0 0 "[ . 1]" 1
461 1 29 VAL H 1 60 GLN QG . . 3.940 3.914 3.378 4.788 0.848 1 1 "[+ . 1]" 1
462 1 29 VAL H 1 62 HIS HD2 . . 5.450 3.500 2.736 4.818 . 0 0 "[ . 1]" 1
463 1 29 VAL HA 1 29 VAL MG1 . . 3.380 2.305 2.266 2.350 . 0 0 "[ . 1]" 1
464 1 29 VAL HA 1 30 SER H . . 2.940 2.377 2.248 2.488 . 0 0 "[ . 1]" 1
465 1 29 VAL HA 1 31 GLU H . . 4.490 4.022 3.805 4.254 . 0 0 "[ . 1]" 1
466 1 29 VAL HB 1 30 SER H . . 3.020 2.482 2.174 2.853 . 0 0 "[ . 1]" 1
467 1 29 VAL HB 1 31 GLU H . . 3.330 2.538 2.410 2.787 . 0 0 "[ . 1]" 1
468 1 29 VAL HB 1 31 GLU QB . . 3.380 3.760 3.438 4.143 0.763 10 2 "[ - . +]" 1
469 1 29 VAL HB 1 34 ALA MB . . 4.540 3.349 2.761 3.664 . 0 0 "[ . 1]" 1
470 1 29 VAL MG1 1 30 SER H . . 4.070 3.597 3.484 3.831 . 0 0 "[ . 1]" 1
471 1 29 VAL MG1 1 31 GLU H . . 4.220 4.157 4.080 4.339 0.119 10 0 "[ . 1]" 1
472 1 29 VAL MG1 1 34 ALA MB . . 4.040 2.960 2.421 3.452 . 0 0 "[ . 1]" 1
473 1 29 VAL MG1 1 36 VAL QG . . 3.880 2.664 2.185 3.078 . 0 0 "[ . 1]" 1
474 1 29 VAL MG1 1 62 HIS HD2 . . 5.050 3.437 2.332 5.171 0.121 3 0 "[ . 1]" 1
475 1 29 VAL MG1 1 79 LEU MD1 . . 4.750 4.388 3.762 4.746 . 0 0 "[ . 1]" 1
476 1 29 VAL MG1 1 79 LEU QD . . 3.480 3.317 2.925 3.878 0.398 8 0 "[ . 1]" 1
477 1 29 VAL MG1 1 79 LEU MD2 . . 4.750 3.446 3.037 4.113 . 0 0 "[ . 1]" 1
478 1 29 VAL MG2 1 31 GLU H . . 2.840 2.509 2.052 2.696 . 0 0 "[ . 1]" 1
479 1 29 VAL MG2 1 34 ALA H . . 4.230 3.313 3.105 3.489 . 0 0 "[ . 1]" 1
480 1 29 VAL MG2 1 34 ALA MB . . 3.180 1.782 1.705 1.907 . 0 0 "[ . 1]" 1
481 1 29 VAL MG2 1 36 VAL QG . . 3.890 3.444 2.913 3.882 . 0 0 "[ . 1]" 1
482 1 29 VAL MG2 1 60 GLN HA . . 3.790 3.070 2.367 4.614 0.824 3 1 "[ + . 1]" 1
483 1 29 VAL MG2 1 60 GLN QB . . 3.810 2.485 2.073 3.202 . 0 0 "[ . 1]" 1
484 1 29 VAL MG2 1 60 GLN QG . . 4.600 3.933 3.378 4.363 . 0 0 "[ . 1]" 1
485 1 29 VAL MG2 1 62 HIS HD2 . . 4.620 3.101 2.560 4.107 . 0 0 "[ . 1]" 1
486 1 30 SER H 1 30 SER QB . . 3.310 2.417 2.262 2.767 . 0 0 "[ . 1]" 1
487 1 30 SER H 1 31 GLU H . . 3.520 2.525 2.296 2.675 . 0 0 "[ . 1]" 1
488 1 30 SER H 1 60 GLN QE . . 5.500 4.671 4.360 5.488 . 0 0 "[ . 1]" 1
489 1 30 SER HA 1 60 GLN QE . . 3.760 2.872 2.235 3.408 . 0 0 "[ . 1]" 1
490 1 30 SER QB 1 31 GLU H . . 4.500 3.415 3.007 3.847 . 0 0 "[ . 1]" 1
491 1 31 GLU H 1 31 GLU QB . . 3.510 2.478 2.348 2.615 . 0 0 "[ . 1]" 1
492 1 31 GLU H 1 32 GLU H . . 5.020 4.413 4.317 4.499 . 0 0 "[ . 1]" 1
493 1 31 GLU H 1 34 ALA H . . 5.500 5.439 5.156 5.657 0.157 10 0 "[ . 1]" 1
494 1 31 GLU H 1 34 ALA MB . . 4.090 3.824 3.623 4.120 0.030 1 0 "[ . 1]" 1
495 1 31 GLU H 1 60 GLN QE . . 4.790 4.301 3.553 5.053 0.263 1 0 "[ . 1]" 1
496 1 31 GLU QB 1 32 GLU H . . 4.700 3.582 3.036 3.732 . 0 0 "[ . 1]" 1
497 1 31 GLU QB 1 34 ALA H . . 4.700 4.396 4.084 4.754 0.054 5 0 "[ . 1]" 1
498 1 31 GLU QB 1 34 ALA MB . . 3.880 2.660 2.238 3.288 . 0 0 "[ . 1]" 1
499 1 31 GLU QG 1 34 ALA H . . 5.350 4.644 3.359 6.514 1.164 2 1 "[ + . 1]" 1
500 1 31 GLU QG 1 34 ALA MB . . 4.700 3.481 2.536 4.707 0.007 2 0 "[ . 1]" 1
501 1 34 ALA H 1 34 ALA MB . . 2.790 2.290 2.232 2.367 . 0 0 "[ . 1]" 1
502 1 34 ALA H 1 35 GLN H . . 4.780 4.406 4.241 4.553 . 0 0 "[ . 1]" 1
503 1 34 ALA H 1 36 VAL QG . . 5.500 5.332 4.850 5.853 0.353 8 0 "[ . 1]" 1
504 1 34 ALA H 1 60 GLN QB . . 4.650 4.346 3.387 5.545 0.895 2 2 "[ + - 1]" 1
505 1 34 ALA MB 1 35 GLN H . . 3.400 3.152 2.537 3.358 . 0 0 "[ . 1]" 1
506 1 34 ALA MB 1 35 GLN QB . . 5.380 4.726 4.240 5.003 . 0 0 "[ . 1]" 1
507 1 34 ALA MB 1 36 VAL QG . . 3.800 3.571 3.365 3.809 0.009 8 0 "[ . 1]" 1
508 1 34 ALA MB 1 60 GLN QB . . 5.500 4.411 3.630 5.136 . 0 0 "[ . 1]" 1
509 1 35 GLN H 1 35 GLN QB . . 3.210 2.425 2.216 2.676 . 0 0 "[ . 1]" 1
510 1 35 GLN H 1 35 GLN QE . . 5.340 4.379 3.018 5.306 . 0 0 "[ . 1]" 1
511 1 35 GLN H 1 35 GLN QG . . 4.140 3.001 1.845 3.991 . 0 0 "[ . 1]" 1
512 1 35 GLN HA 1 36 VAL H . . 2.640 2.309 2.156 2.462 . 0 0 "[ . 1]" 1
513 1 35 GLN HA 1 36 VAL QG . . 4.210 3.163 3.001 3.350 . 0 0 "[ . 1]" 1
514 1 35 GLN QB 1 36 VAL H . . 3.660 2.875 2.297 3.706 0.046 10 0 "[ . 1]" 1
515 1 35 GLN QG 1 36 VAL H . . 4.170 3.429 2.377 4.173 0.003 1 0 "[ . 1]" 1
516 1 36 VAL H 1 36 VAL HB . . 4.110 3.827 3.808 3.870 . 0 0 "[ . 1]" 1
517 1 36 VAL H 1 36 VAL QG . . 3.050 2.129 2.091 2.217 . 0 0 "[ . 1]" 1
518 1 36 VAL HA 1 37 LYS H . . 2.890 2.279 2.163 2.471 . 0 0 "[ . 1]" 1
519 1 36 VAL HA 1 79 LEU QD . . 4.300 3.512 2.855 4.267 . 0 0 "[ . 1]" 1
520 1 36 VAL HA 1 81 THR HA . . 3.430 2.734 2.403 3.355 . 0 0 "[ . 1]" 1
521 1 36 VAL HA 1 81 THR MG . . 4.380 3.063 2.477 3.757 . 0 0 "[ . 1]" 1
522 1 36 VAL HB 1 37 LYS H . . 3.030 2.680 2.217 2.917 . 0 0 "[ . 1]" 1
523 1 36 VAL HB 1 38 TRP HE1 . . 5.500 5.206 4.210 6.023 0.523 1 1 "[+ . 1]" 1
524 1 36 VAL HB 1 79 LEU MD1 . . 3.710 2.578 1.789 3.334 . 0 0 "[ . 1]" 1
525 1 36 VAL HB 1 79 LEU QD . . 3.250 2.061 1.785 2.727 . 0 0 "[ . 1]" 1
526 1 36 VAL HB 1 79 LEU MD2 . . 3.710 2.675 1.803 3.852 0.142 4 0 "[ . 1]" 1
527 1 36 VAL QG 1 37 LYS H . . 3.860 3.276 3.040 3.378 . 0 0 "[ . 1]" 1
528 1 36 VAL QG 1 37 LYS HA . . 4.320 3.751 3.622 3.845 . 0 0 "[ . 1]" 1
529 1 36 VAL QG 1 38 TRP H . . 4.950 4.574 4.181 4.813 . 0 0 "[ . 1]" 1
530 1 36 VAL QG 1 38 TRP HD1 . . 4.190 3.900 3.683 4.179 . 0 0 "[ . 1]" 1
531 1 36 VAL QG 1 38 TRP HE1 . . 4.020 3.190 2.841 3.464 . 0 0 "[ . 1]" 1
532 1 36 VAL QG 1 62 HIS H . . 5.500 5.006 4.521 5.582 0.082 1 0 "[ . 1]" 1
533 1 36 VAL QG 1 62 HIS HD2 . . 4.590 3.088 2.449 3.474 . 0 0 "[ . 1]" 1
534 1 36 VAL QG 1 62 HIS HE1 . . 3.670 3.277 2.807 4.208 0.538 1 1 "[+ . 1]" 1
535 1 36 VAL QG 1 79 LEU QD . . 3.580 1.981 1.591 2.225 . 0 0 "[ . 1]" 1
536 1 36 VAL QG 1 81 THR MG . . 3.400 1.979 1.761 2.496 . 0 0 "[ . 1]" 1
537 1 37 LYS H 1 37 LYS QG . . 4.360 4.056 4.009 4.178 . 0 0 "[ . 1]" 1
538 1 37 LYS H 1 38 TRP H . . 4.540 4.387 4.297 4.461 . 0 0 "[ . 1]" 1
539 1 37 LYS H 1 79 LEU MD1 . . 4.480 4.228 2.915 5.274 0.794 8 2 "[ . + -]" 1
540 1 37 LYS H 1 79 LEU QD . . 3.830 3.298 2.595 4.106 0.276 1 0 "[ . 1]" 1
541 1 37 LYS H 1 79 LEU MD2 . . 4.480 4.007 2.611 5.458 0.978 7 3 "[ *- + 1]" 1
542 1 37 LYS H 1 79 LEU HG . . 4.710 3.759 2.831 4.593 . 0 0 "[ . 1]" 1
543 1 37 LYS H 1 80 CYS H . . 3.520 3.091 2.794 3.348 . 0 0 "[ . 1]" 1
544 1 37 LYS H 1 80 CYS HB2 . . 5.300 4.183 2.964 5.392 0.092 3 0 "[ . 1]" 1
545 1 37 LYS H 1 80 CYS QB . . 4.460 3.438 2.916 4.094 . 0 0 "[ . 1]" 1
546 1 37 LYS H 1 80 CYS HB3 . . 5.300 4.184 3.719 4.720 . 0 0 "[ . 1]" 1
547 1 37 LYS HA 1 38 TRP H . . 2.650 2.200 2.160 2.265 . 0 0 "[ . 1]" 1
548 1 37 LYS QB 1 37 LYS QE . . 3.650 2.442 1.974 3.857 0.207 7 0 "[ . 1]" 1
549 1 37 LYS QB 1 38 TRP H . . 3.720 3.660 3.524 3.769 0.049 6 0 "[ . 1]" 1
550 1 37 LYS QB 1 80 CYS H . . 4.020 3.234 2.439 3.740 . 0 0 "[ . 1]" 1
551 1 37 LYS QB 1 80 CYS HB2 . . 4.050 2.963 1.795 4.502 0.452 10 0 "[ . 1]" 1
552 1 37 LYS QB 1 80 CYS QB . . 3.560 2.170 1.788 2.924 . 0 0 "[ . 1]" 1
553 1 37 LYS QB 1 80 CYS HB3 . . 4.050 2.944 1.844 3.676 . 0 0 "[ . 1]" 1
554 1 37 LYS QD 1 39 LEU QD . . 3.810 4.099 2.514 5.767 1.957 7 5 "[ -*. +* *]" 1
555 1 37 LYS QE 1 37 LYS QG . . 3.470 2.477 2.245 2.801 . 0 0 "[ . 1]" 1
556 1 37 LYS QG 1 38 TRP H . . 4.090 2.602 2.430 2.792 . 0 0 "[ . 1]" 1
557 1 37 LYS QG 1 39 LEU QD . . 3.800 3.999 3.532 4.550 0.750 10 2 "[ . - +]" 1
558 1 37 LYS QG 1 44 GLU QG . . 4.440 2.996 2.487 3.838 . 0 0 "[ . 1]" 1
559 1 38 TRP H 1 38 TRP HB2 . . 3.210 2.449 2.415 2.519 . 0 0 "[ . 1]" 1
560 1 38 TRP H 1 38 TRP HB3 . . 3.760 3.650 3.636 3.675 . 0 0 "[ . 1]" 1
561 1 38 TRP H 1 38 TRP HD1 . . 3.940 3.034 2.711 3.214 . 0 0 "[ . 1]" 1
562 1 38 TRP H 1 38 TRP HE1 . . 5.500 5.183 4.986 5.307 . 0 0 "[ . 1]" 1
563 1 38 TRP H 1 39 LEU H . . 4.750 4.395 4.319 4.490 . 0 0 "[ . 1]" 1
564 1 38 TRP H 1 39 LEU QD . . 5.260 5.628 5.385 6.056 0.796 2 1 "[ + . 1]" 1
565 1 38 TRP H 1 44 GLU HA . . 5.500 5.909 5.328 6.364 0.864 9 4 "[ * . -*+1]" 1
566 1 38 TRP H 1 44 GLU QG . . 4.580 4.595 3.986 5.543 0.963 9 2 "[ - . +1]" 1
567 1 38 TRP H 1 45 LEU H . . 4.800 5.029 4.698 5.514 0.714 8 3 "[ * . +-1]" 1
568 1 38 TRP H 1 45 LEU QD . . 5.440 3.784 2.946 4.513 . 0 0 "[ . 1]" 1
569 1 38 TRP HA 1 38 TRP HE3 . . 4.460 2.908 2.659 3.227 . 0 0 "[ . 1]" 1
570 1 38 TRP HA 1 39 LEU H . . 2.840 2.124 2.091 2.164 . 0 0 "[ . 1]" 1
571 1 38 TRP HA 1 79 LEU HA . . 4.080 2.945 2.699 3.193 . 0 0 "[ . 1]" 1
572 1 38 TRP HA 1 79 LEU QD . . 5.440 3.847 3.153 4.332 . 0 0 "[ . 1]" 1
573 1 38 TRP HA 1 80 CYS H . . 4.700 3.773 3.490 4.241 . 0 0 "[ . 1]" 1
574 1 38 TRP HB2 1 39 LEU H . . 4.510 4.263 4.080 4.367 . 0 0 "[ . 1]" 1
575 1 38 TRP HB2 1 45 LEU H . . 4.960 4.338 3.637 4.813 . 0 0 "[ . 1]" 1
576 1 38 TRP HB2 1 45 LEU QD . . 4.990 2.079 1.779 2.470 . 0 0 "[ . 1]" 1
577 1 38 TRP HB3 1 39 LEU H . . 3.930 3.352 3.065 3.544 . 0 0 "[ . 1]" 1
578 1 38 TRP HB3 1 45 LEU H . . 5.100 4.885 4.213 5.350 0.250 8 0 "[ . 1]" 1
579 1 38 TRP HB3 1 45 LEU QD . . 4.440 2.174 1.784 2.715 . 0 0 "[ . 1]" 1
580 1 38 TRP HD1 1 55 PHE QD . . 4.110 4.570 3.670 5.266 1.156 3 5 "[ *+ - **]" 1
581 1 38 TRP HD1 1 55 PHE QE . . 4.230 4.540 3.435 5.828 1.598 3 3 "[ -+ . *]" 1
582 1 38 TRP HE1 1 55 PHE HA . . 5.500 5.812 4.870 6.347 0.847 3 4 "[ *+ - *1]" 1
583 1 38 TRP HE1 1 55 PHE QB . . 4.110 3.326 2.455 3.911 . 0 0 "[ . 1]" 1
584 1 38 TRP HE1 1 56 LYS H . . 5.500 6.241 5.541 6.535 1.035 2 8 "[*+* * ***-]" 1
585 1 38 TRP HE1 1 62 HIS HA . . 5.500 6.311 6.036 6.515 1.015 7 10 [*****-+***] 1
586 1 38 TRP HE1 1 62 HIS QB . . 3.740 4.002 3.610 4.351 0.611 8 1 "[ . + 1]" 1
587 1 38 TRP HE1 1 63 HIS H . . 5.500 6.217 5.563 6.542 1.042 7 7 "[*- ** +**1]" 1
588 1 38 TRP HE1 1 64 LEU QB . . 4.770 4.069 3.573 4.725 . 0 0 "[ . 1]" 1
589 1 38 TRP HE1 1 64 LEU QD . . 4.900 3.645 3.294 4.148 . 0 0 "[ . 1]" 1
590 1 38 TRP HE1 1 79 LEU QD . . 4.560 4.169 3.544 4.743 0.183 6 0 "[ . 1]" 1
591 1 38 TRP HE3 1 39 LEU H . . 4.290 3.653 3.338 3.952 . 0 0 "[ . 1]" 1
592 1 38 TRP HE3 1 78 ALA H . . 5.160 4.451 4.010 5.190 0.030 6 0 "[ . 1]" 1
593 1 38 TRP HH2 1 64 LEU H . . 4.390 4.383 3.447 5.133 0.743 7 1 "[ . + 1]" 1
594 1 38 TRP HZ2 1 55 PHE QB . . 4.580 3.864 3.188 4.666 0.086 10 0 "[ . 1]" 1
595 1 38 TRP HZ2 1 62 HIS QB . . 4.090 3.214 2.603 3.646 . 0 0 "[ . 1]" 1
596 1 38 TRP HZ2 1 63 HIS H . . 5.330 5.181 4.696 5.967 0.637 7 1 "[ . + 1]" 1
597 1 38 TRP HZ2 1 64 LEU H . . 4.160 4.262 3.419 4.820 0.660 1 2 "[+ . - 1]" 1
598 1 38 TRP HZ2 1 79 LEU QD . . 4.500 3.286 3.033 3.527 . 0 0 "[ . 1]" 1
599 1 38 TRP HZ3 1 64 LEU QD . . 4.220 3.310 2.991 3.631 . 0 0 "[ . 1]" 1
600 1 39 LEU H 1 39 LEU QB . . 3.580 2.447 2.401 2.564 . 0 0 "[ . 1]" 1
601 1 39 LEU H 1 39 LEU QD . . 4.740 3.867 3.718 3.973 . 0 0 "[ . 1]" 1
602 1 39 LEU H 1 40 LYS H . . 4.630 4.326 4.169 4.486 . 0 0 "[ . 1]" 1
603 1 39 LEU H 1 40 LYS HA . . 5.500 4.777 4.538 4.915 . 0 0 "[ . 1]" 1
604 1 39 LEU H 1 44 GLU HA . . 5.500 5.375 4.745 5.845 0.345 9 0 "[ . 1]" 1
605 1 39 LEU H 1 45 LEU H . . 5.250 5.419 4.911 5.798 0.548 6 2 "[ - .+ 1]" 1
606 1 39 LEU H 1 78 ALA H . . 3.510 3.149 2.786 3.404 . 0 0 "[ . 1]" 1
607 1 39 LEU H 1 78 ALA MB . . 4.280 3.597 3.435 3.858 . 0 0 "[ . 1]" 1
608 1 39 LEU H 1 79 LEU HA . . 4.150 3.401 2.991 3.721 . 0 0 "[ . 1]" 1
609 1 39 LEU H 1 80 CYS H . . 5.100 4.186 3.842 4.535 . 0 0 "[ . 1]" 1
610 1 39 LEU HA 1 39 LEU QD . . 3.430 2.175 1.927 3.114 . 0 0 "[ . 1]" 1
611 1 39 LEU HA 1 40 LYS H . . 2.860 2.193 2.149 2.314 . 0 0 "[ . 1]" 1
612 1 39 LEU HA 1 42 GLY H . . 5.500 5.004 4.721 5.258 . 0 0 "[ . 1]" 1
613 1 39 LEU HA 1 43 VAL H . . 4.550 5.120 4.803 5.457 0.907 7 6 "[ *** +* -]" 1
614 1 39 LEU HA 1 44 GLU H . . 4.980 5.006 4.304 5.327 0.347 3 0 "[ . 1]" 1
615 1 39 LEU HA 1 44 GLU HA . . 3.810 2.590 1.971 3.016 . 0 0 "[ . 1]" 1
616 1 39 LEU HA 1 45 LEU H . . 3.480 3.321 2.883 3.876 0.396 6 0 "[ . 1]" 1
617 1 39 LEU QB 1 40 LYS H . . 3.590 3.778 3.473 3.859 0.269 6 0 "[ . 1]" 1
618 1 39 LEU QB 1 42 GLY H . . 4.480 4.371 3.853 4.840 0.360 1 0 "[ . 1]" 1
619 1 39 LEU QB 1 44 GLU HA . . 4.820 4.102 3.458 4.344 . 0 0 "[ . 1]" 1
620 1 39 LEU QB 1 78 ALA H . . 4.680 3.209 2.668 3.758 . 0 0 "[ . 1]" 1
621 1 39 LEU QD 1 42 GLY H . . 3.930 2.701 1.795 3.142 . 0 0 "[ . 1]" 1
622 1 39 LEU QD 1 42 GLY QA . . 3.600 2.307 1.932 2.661 . 0 0 "[ . 1]" 1
623 1 39 LEU QD 1 43 VAL H . . 4.210 3.368 2.966 3.534 . 0 0 "[ . 1]" 1
624 1 39 LEU QD 1 43 VAL HA . . 3.890 3.578 3.339 4.054 0.164 2 0 "[ . 1]" 1
625 1 39 LEU QD 1 44 GLU H . . 3.300 3.274 3.085 3.707 0.407 2 0 "[ . 1]" 1
626 1 39 LEU QD 1 44 GLU HA . . 3.180 2.352 1.938 3.580 0.400 2 0 "[ . 1]" 1
627 1 39 LEU QD 1 44 GLU QB . . 3.660 2.717 2.304 3.124 . 0 0 "[ . 1]" 1
628 1 39 LEU QD 1 44 GLU QG . . 3.770 3.209 2.647 4.013 0.243 2 0 "[ . 1]" 1
629 1 39 LEU QD 1 45 LEU H . . 3.870 3.974 3.500 5.052 1.182 2 1 "[ + . 1]" 1
630 1 39 LEU QD 1 78 ALA H . . 4.700 4.129 3.134 4.700 . 0 0 "[ . 1]" 1
631 1 39 LEU QD 1 78 ALA MB . . 3.340 2.408 1.857 2.883 . 0 0 "[ . 1]" 1
632 1 39 LEU HG 1 40 LYS H . . 4.270 3.213 2.258 4.678 0.408 7 0 "[ . 1]" 1
633 1 39 LEU HG 1 41 ASP H . . 5.500 4.306 3.868 5.959 0.459 7 0 "[ . 1]" 1
634 1 39 LEU HG 1 42 GLY H . . 5.050 2.696 2.138 4.374 . 0 0 "[ . 1]" 1
635 1 39 LEU HG 1 43 VAL H . . 4.940 3.976 3.230 5.784 0.844 7 1 "[ . + 1]" 1
636 1 39 LEU HG 1 44 GLU HA . . 4.640 4.470 3.244 4.918 0.278 1 0 "[ . 1]" 1
637 1 40 LYS H 1 40 LYS QB . . 3.480 2.436 2.346 2.586 . 0 0 "[ . 1]" 1
638 1 40 LYS H 1 41 ASP H . . 4.600 4.107 3.937 4.167 . 0 0 "[ . 1]" 1
639 1 40 LYS H 1 43 VAL H . . 3.290 3.508 3.338 3.714 0.424 5 0 "[ . 1]" 1
640 1 40 LYS HA 1 40 LYS QD . . 4.330 3.651 3.309 4.026 . 0 0 "[ . 1]" 1
641 1 40 LYS HA 1 41 ASP H . . 2.770 2.129 2.104 2.157 . 0 0 "[ . 1]" 1
642 1 40 LYS HA 1 77 TYR HA . . 3.830 2.610 2.221 3.131 . 0 0 "[ . 1]" 1
643 1 40 LYS HA 1 78 ALA H . . 3.930 3.461 3.041 3.689 . 0 0 "[ . 1]" 1
644 1 40 LYS QB 1 40 LYS QE . . 4.250 3.621 3.508 3.739 . 0 0 "[ . 1]" 1
645 1 40 LYS QB 1 45 LEU QD . . 3.820 2.471 1.836 4.229 0.409 6 0 "[ . 1]" 1
646 1 40 LYS QD 1 41 ASP H . . 4.440 4.198 3.410 5.314 0.874 2 3 "[ + *. -1]" 1
647 1 40 LYS QD 1 43 VAL H . . 4.430 4.260 3.560 5.703 1.273 2 3 "[ + *. -1]" 1
648 1 40 LYS QE 1 76 HIS H . . 5.340 4.624 3.897 6.282 0.942 9 2 "[ - . +1]" 1
649 1 40 LYS QG 1 41 ASP H . . 3.670 3.347 3.171 3.488 . 0 0 "[ . 1]" 1
650 1 40 LYS QG 1 76 HIS H . . 4.730 4.586 4.030 4.931 0.201 9 0 "[ . 1]" 1
651 1 41 ASP H 1 41 ASP HB2 . . 4.060 2.932 2.886 2.977 . 0 0 "[ . 1]" 1
652 1 41 ASP H 1 41 ASP QB . . 3.540 2.829 2.794 2.885 . 0 0 "[ . 1]" 1
653 1 41 ASP H 1 41 ASP HB3 . . 4.060 3.729 3.561 3.887 . 0 0 "[ . 1]" 1
654 1 41 ASP H 1 42 GLY H . . 3.320 2.866 2.781 2.946 . 0 0 "[ . 1]" 1
655 1 41 ASP H 1 43 VAL H . . 4.820 4.221 4.064 4.373 . 0 0 "[ . 1]" 1
656 1 41 ASP H 1 76 HIS H . . 4.360 3.886 3.347 4.846 0.486 4 0 "[ . 1]" 1
657 1 41 ASP H 1 76 HIS QB . . 4.040 3.561 3.025 4.016 . 0 0 "[ . 1]" 1
658 1 41 ASP H 1 77 TYR H . . 5.360 4.799 4.399 5.208 . 0 0 "[ . 1]" 1
659 1 41 ASP H 1 77 TYR HA . . 3.780 3.307 3.027 3.508 . 0 0 "[ . 1]" 1
660 1 41 ASP H 1 78 ALA H . . 5.070 4.102 3.724 4.511 . 0 0 "[ . 1]" 1
661 1 41 ASP HA 1 42 GLY H . . 3.110 2.822 2.701 2.857 . 0 0 "[ . 1]" 1
662 1 41 ASP HA 1 43 VAL H . . 4.620 4.346 4.258 4.420 . 0 0 "[ . 1]" 1
663 1 41 ASP HA 1 76 HIS H . . 4.560 3.379 2.559 5.219 0.659 4 1 "[ +. 1]" 1
664 1 41 ASP QB 1 42 GLY H . . 4.230 3.881 3.849 3.928 . 0 0 "[ . 1]" 1
665 1 41 ASP QB 1 43 VAL H . . 4.380 3.541 3.398 3.702 . 0 0 "[ . 1]" 1
666 1 41 ASP QB 1 76 HIS H . . 5.340 2.720 2.234 3.300 . 0 0 "[ . 1]" 1
667 1 41 ASP HB2 1 42 GLY H . . 4.850 4.552 4.477 4.605 . 0 0 "[ . 1]" 1
668 1 41 ASP HB2 1 43 VAL H . . 5.150 4.728 4.460 4.974 . 0 0 "[ . 1]" 1
669 1 41 ASP HB3 1 42 GLY H . . 4.850 4.208 4.181 4.268 . 0 0 "[ . 1]" 1
670 1 41 ASP HB3 1 43 VAL H . . 5.150 3.660 3.493 3.843 . 0 0 "[ . 1]" 1
671 1 42 GLY H 1 43 VAL H . . 3.370 2.677 2.506 2.808 . 0 0 "[ . 1]" 1
672 1 42 GLY H 1 77 TYR HA . . 5.500 5.637 5.250 5.975 0.475 10 0 "[ . 1]" 1
673 1 43 VAL H 1 43 VAL HB . . 2.950 2.564 2.523 2.593 . 0 0 "[ . 1]" 1
674 1 43 VAL H 1 43 VAL MG1 . . 4.180 3.815 3.800 3.833 . 0 0 "[ . 1]" 1
675 1 43 VAL H 1 43 VAL QG . . 2.990 2.339 2.219 2.421 . 0 0 "[ . 1]" 1
676 1 43 VAL H 1 43 VAL MG2 . . 4.180 2.361 2.234 2.448 . 0 0 "[ . 1]" 1
677 1 43 VAL H 1 44 GLU H . . 4.430 4.448 4.362 4.549 0.119 4 0 "[ . 1]" 1
678 1 43 VAL HA 1 43 VAL MG1 . . 3.390 2.378 2.361 2.391 . 0 0 "[ . 1]" 1
679 1 43 VAL HA 1 43 VAL QG . . 2.880 2.139 2.129 2.147 . 0 0 "[ . 1]" 1
680 1 43 VAL HA 1 43 VAL MG2 . . 3.390 2.427 2.401 2.450 . 0 0 "[ . 1]" 1
681 1 43 VAL HA 1 44 GLU H . . 2.520 2.164 2.135 2.218 . 0 0 "[ . 1]" 1
682 1 43 VAL HA 1 44 GLU HA . . 4.650 4.380 4.345 4.416 . 0 0 "[ . 1]" 1
683 1 43 VAL HA 1 44 GLU QB . . 4.600 4.071 3.989 4.105 . 0 0 "[ . 1]" 1
684 1 43 VAL HB 1 44 GLU H . . 4.430 4.159 4.049 4.281 . 0 0 "[ . 1]" 1
685 1 43 VAL QG 1 44 GLU H . . 3.300 2.664 2.440 2.871 . 0 0 "[ . 1]" 1
686 1 43 VAL QG 1 44 GLU HA . . 4.380 3.936 3.801 4.082 . 0 0 "[ . 1]" 1
687 1 43 VAL QG 1 45 LEU H . . 5.220 4.325 3.937 4.610 . 0 0 "[ . 1]" 1
688 1 44 GLU H 1 44 GLU QB . . 2.700 2.295 2.241 2.350 . 0 0 "[ . 1]" 1
689 1 44 GLU H 1 44 GLU QG . . 4.020 3.994 3.965 4.026 0.006 6 0 "[ . 1]" 1
690 1 44 GLU HA 1 44 GLU QG . . 3.890 2.389 2.276 2.465 . 0 0 "[ . 1]" 1
691 1 44 GLU HA 1 45 LEU H . . 2.800 2.164 2.134 2.194 . 0 0 "[ . 1]" 1
692 1 44 GLU HA 1 45 LEU HG . . 5.210 3.810 3.618 4.053 . 0 0 "[ . 1]" 1
693 1 44 GLU QG 1 45 LEU H . . 3.480 2.887 2.581 3.538 0.058 3 0 "[ . 1]" 1
694 1 44 GLU QG 1 46 THR H . . 5.150 5.480 5.094 6.606 1.456 3 2 "[ + . - 1]" 1
695 1 45 LEU H 1 45 LEU HB2 . . 3.770 3.152 2.403 3.702 . 0 0 "[ . 1]" 1
696 1 45 LEU H 1 45 LEU QB . . 3.240 2.649 2.369 2.997 . 0 0 "[ . 1]" 1
697 1 45 LEU H 1 45 LEU HB3 . . 3.770 3.192 2.795 3.603 . 0 0 "[ . 1]" 1
698 1 45 LEU H 1 45 LEU MD1 . . 4.310 3.311 2.892 3.765 . 0 0 "[ . 1]" 1
699 1 45 LEU H 1 45 LEU MD2 . . 4.310 3.372 3.159 3.613 . 0 0 "[ . 1]" 1
700 1 45 LEU H 1 45 LEU HG . . 3.230 2.074 1.788 2.509 . 0 0 "[ . 1]" 1
701 1 45 LEU H 1 46 THR H . . 4.610 4.583 4.506 4.624 0.014 4 0 "[ . 1]" 1
702 1 45 LEU H 1 46 THR HA . . 5.500 5.386 5.017 5.517 0.017 1 0 "[ . 1]" 1
703 1 45 LEU HA 1 45 LEU QD . . 3.850 2.829 1.930 3.415 . 0 0 "[ . 1]" 1
704 1 45 LEU HA 1 46 THR H . . 2.700 2.334 2.105 2.425 . 0 0 "[ . 1]" 1
705 1 45 LEU QB 1 46 THR H . . 3.970 2.497 2.298 2.977 . 0 0 "[ . 1]" 1
706 1 45 LEU QD 1 46 THR H . . 3.660 3.330 3.073 3.874 0.214 3 0 "[ . 1]" 1
707 1 45 LEU QD 1 53 TYR QE . . 3.350 2.486 1.989 3.159 . 0 0 "[ . 1]" 1
708 1 45 LEU QD 1 64 LEU QD . . 4.190 3.301 2.471 4.230 0.040 7 0 "[ . 1]" 1
709 1 45 LEU MD1 1 53 TYR QE . . 4.520 3.257 2.400 4.896 0.376 6 0 "[ . 1]" 1
710 1 45 LEU MD2 1 53 TYR QE . . 4.520 3.003 2.012 3.888 . 0 0 "[ . 1]" 1
711 1 45 LEU HG 1 46 THR H . . 5.200 4.847 4.572 5.095 . 0 0 "[ . 1]" 1
712 1 47 ARG H 1 47 ARG HB2 . . 3.650 3.019 2.453 3.744 0.094 3 0 "[ . 1]" 1
713 1 47 ARG H 1 47 ARG HB3 . . 3.650 2.727 2.469 3.585 . 0 0 "[ . 1]" 1
714 1 47 ARG H 1 47 ARG QD . . 4.480 3.925 1.831 4.646 0.166 6 0 "[ . 1]" 1
715 1 47 ARG H 1 48 GLU H . . 3.660 2.661 2.300 3.863 0.203 1 0 "[ . 1]" 1
716 1 47 ARG HA 1 47 ARG QD . . 4.070 3.558 1.891 4.548 0.478 4 0 "[ . 1]" 1
717 1 47 ARG HA 1 47 ARG QG . . 3.600 2.949 2.371 3.470 . 0 0 "[ . 1]" 1
718 1 47 ARG HA 1 48 GLU H . . 3.550 3.232 2.365 3.539 . 0 0 "[ . 1]" 1
719 1 47 ARG QB 1 47 ARG QD . . 3.270 2.238 2.107 2.441 . 0 0 "[ . 1]" 1
720 1 47 ARG QB 1 48 GLU H . . 4.190 3.398 2.434 4.026 . 0 0 "[ . 1]" 1
721 1 47 ARG HB2 1 47 ARG QD . . 3.740 2.567 2.142 3.263 . 0 0 "[ . 1]" 1
722 1 47 ARG HB3 1 47 ARG QD . . 3.740 2.718 2.269 3.310 . 0 0 "[ . 1]" 1
723 1 47 ARG QD 1 48 GLU H . . 4.690 4.527 3.287 5.635 0.945 1 1 "[+ . 1]" 1
724 1 47 ARG QG 1 48 GLU H . . 4.360 3.655 2.522 4.468 0.108 8 0 "[ . 1]" 1
725 1 48 GLU H 1 48 GLU QB . . 2.920 2.758 2.198 3.338 0.418 1 0 "[ . 1]" 1
726 1 48 GLU H 1 48 GLU QG . . 3.290 2.446 1.883 3.606 0.316 5 0 "[ . 1]" 1
727 1 48 GLU H 1 49 GLU H . . 3.790 3.215 2.333 4.194 0.404 1 0 "[ . 1]" 1
728 1 48 GLU HA 1 48 GLU QG . . 3.420 2.971 2.410 3.423 0.003 3 0 "[ . 1]" 1
729 1 48 GLU HA 1 49 GLU H . . 3.250 2.697 2.268 3.587 0.337 8 0 "[ . 1]" 1
730 1 49 GLU H 1 49 GLU QB . . 3.040 2.379 2.128 2.846 . 0 0 "[ . 1]" 1
731 1 49 GLU HA 1 50 THR H . . 3.090 2.428 2.118 2.596 . 0 0 "[ . 1]" 1
732 1 49 GLU QB 1 50 THR H . . 4.040 3.029 2.096 3.831 . 0 0 "[ . 1]" 1
733 1 49 GLU QB 1 52 LYS H . . 5.500 5.380 4.093 6.128 0.628 9 3 "[ *.- +1]" 1
734 1 49 GLU QG 1 50 THR H . . 4.030 2.282 1.716 3.377 . 0 0 "[ . 1]" 1
735 1 49 GLU QG 1 50 THR MG . . 4.270 3.031 2.122 5.100 0.830 8 2 "[- . + 1]" 1
736 1 49 GLU QG 1 52 LYS H . . 5.330 4.730 2.340 6.552 1.222 1 2 "[+- . 1]" 1
737 1 50 THR H 1 50 THR MG . . 3.480 2.250 1.923 3.867 0.387 8 0 "[ . 1]" 1
738 1 50 THR H 1 53 TYR H . . 5.500 5.319 3.298 5.694 0.194 7 0 "[ . 1]" 1
739 1 50 THR HA 1 50 THR MG . . 3.380 3.122 2.283 3.220 . 0 0 "[ . 1]" 1
740 1 50 THR HB 1 51 PHE H . . 4.210 3.725 3.544 3.920 . 0 0 "[ . 1]" 1
741 1 50 THR HB 1 52 LYS H . . 4.430 4.422 4.026 5.549 1.119 8 1 "[ . + 1]" 1
742 1 50 THR MG 1 51 PHE H . . 5.070 3.354 2.814 4.285 . 0 0 "[ . 1]" 1
743 1 50 THR MG 1 52 LYS H . . 4.440 2.276 1.757 4.950 0.510 8 1 "[ . + 1]" 1
744 1 50 THR MG 1 53 TYR H . . 4.120 3.368 2.045 4.050 . 0 0 "[ . 1]" 1
745 1 50 THR MG 1 53 TYR QD . . 4.330 3.701 2.678 5.021 0.691 10 2 "[ . - +]" 1
746 1 51 PHE H 1 51 PHE QB . . 3.490 2.520 2.328 2.751 . 0 0 "[ . 1]" 1
747 1 51 PHE H 1 51 PHE HD1 . . 4.490 3.937 1.961 4.697 0.207 4 0 "[ . 1]" 1
748 1 51 PHE H 1 51 PHE HD2 . . 4.870 2.991 2.399 4.549 . 0 0 "[ . 1]" 1
749 1 51 PHE HA 1 52 LYS HA . . 5.060 4.761 4.661 4.812 . 0 0 "[ . 1]" 1
750 1 51 PHE HA 1 53 TYR H . . 4.210 3.651 3.101 4.394 0.184 1 0 "[ . 1]" 1
751 1 51 PHE QB 1 52 LYS H . . 4.330 3.667 2.891 4.003 . 0 0 "[ . 1]" 1
752 1 52 LYS H 1 52 LYS QG . . 4.210 3.983 3.930 4.045 . 0 0 "[ . 1]" 1
753 1 52 LYS H 1 53 TYR H . . 3.120 2.547 2.405 2.690 . 0 0 "[ . 1]" 1
754 1 52 LYS H 1 53 TYR QD . . 4.600 4.051 3.617 5.118 0.518 10 1 "[ . +]" 1
755 1 52 LYS HA 1 52 LYS QG . . 3.810 2.551 2.329 2.952 . 0 0 "[ . 1]" 1
756 1 52 LYS QB 1 52 LYS QE . . 4.160 3.542 2.731 3.845 . 0 0 "[ . 1]" 1
757 1 52 LYS QD 1 53 TYR H . . 4.070 4.495 3.142 5.018 0.948 4 5 "[ *+.* *-]" 1
758 1 52 LYS QE 1 66 ILE MG . . 3.990 3.650 2.176 5.061 1.071 8 3 "[ -*. + 1]" 1
759 1 52 LYS QE 1 70 MET H . . 5.050 4.341 3.055 5.614 0.564 8 1 "[ . + 1]" 1
760 1 52 LYS QE 1 70 MET QG . . 3.780 3.463 2.356 5.082 1.302 1 2 "[+ - 1]" 1
761 1 52 LYS QG 1 53 TYR H . . 3.980 3.802 3.360 4.204 0.224 9 0 "[ . 1]" 1
762 1 52 LYS QG 1 53 TYR QD . . 4.930 3.123 2.309 4.071 . 0 0 "[ . 1]" 1
763 1 52 LYS QG 1 66 ILE MG . . 3.780 3.228 2.661 4.185 0.405 3 0 "[ . 1]" 1
764 1 53 TYR H 1 53 TYR QD . . 3.550 2.552 2.216 3.299 . 0 0 "[ . 1]" 1
765 1 53 TYR H 1 54 TRP HA . . 5.360 4.689 4.572 4.816 . 0 0 "[ . 1]" 1
766 1 53 TYR H 1 66 ILE HA . . 5.500 4.874 4.683 5.283 . 0 0 "[ . 1]" 1
767 1 53 TYR HA 1 54 TRP H . . 2.840 2.220 2.127 2.326 . 0 0 "[ . 1]" 1
768 1 53 TYR HA 1 54 TRP HA . . 5.370 4.416 4.356 4.492 . 0 0 "[ . 1]" 1
769 1 53 TYR HA 1 54 TRP HD1 . . 4.530 3.364 2.672 4.507 . 0 0 "[ . 1]" 1
770 1 53 TYR HA 1 66 ILE MG . . 4.540 3.750 3.485 4.085 . 0 0 "[ . 1]" 1
771 1 53 TYR HA 1 67 ASN H . . 3.960 2.781 1.848 3.362 . 0 0 "[ . 1]" 1
772 1 53 TYR HA 1 67 ASN QD . . 4.990 3.698 2.750 4.909 . 0 0 "[ . 1]" 1
773 1 53 TYR QB 1 54 TRP H . . 3.040 2.922 2.763 3.155 0.115 2 0 "[ . 1]" 1
774 1 53 TYR QB 1 54 TRP HD1 . . 4.390 4.761 4.390 5.155 0.765 4 4 "[* +. * -]" 1
775 1 53 TYR QB 1 64 LEU QD . . 4.720 2.797 2.157 3.780 . 0 0 "[ . 1]" 1
776 1 53 TYR QD 1 54 TRP HA . . 4.730 4.150 3.304 4.839 0.109 2 0 "[ . 1]" 1
777 1 53 TYR QD 1 64 LEU QD . . 5.170 1.939 1.530 2.716 . 0 0 "[ . 1]" 1
778 1 53 TYR QE 1 64 LEU QD . . 3.900 3.106 2.593 3.945 0.045 10 0 "[ . 1]" 1
779 1 54 TRP H 1 55 PHE H . . 4.370 4.391 4.313 4.469 0.099 2 0 "[ . 1]" 1
780 1 54 TRP H 1 55 PHE QB . . 5.380 5.157 4.833 5.393 0.013 6 0 "[ . 1]" 1
781 1 54 TRP HA 1 54 TRP HD1 . . 4.650 4.147 3.870 4.338 . 0 0 "[ . 1]" 1
782 1 54 TRP HA 1 55 PHE H . . 2.910 2.340 2.234 2.524 . 0 0 "[ . 1]" 1
783 1 54 TRP QB 1 55 PHE H . . 3.380 2.614 2.364 2.846 . 0 0 "[ . 1]" 1
784 1 54 TRP HB2 1 55 PHE H . . 4.030 2.666 2.392 2.914 . 0 0 "[ . 1]" 1
785 1 54 TRP HB3 1 55 PHE H . . 4.030 3.804 3.583 3.993 . 0 0 "[ . 1]" 1
786 1 54 TRP HD1 1 55 PHE H . . 5.350 5.378 4.322 5.871 0.521 7 2 "[ - + 1]" 1
787 1 54 TRP HD1 1 55 PHE HA . . 5.500 5.782 3.982 6.553 1.053 3 7 "[*-+ * * **]" 1
788 1 54 TRP HD1 1 65 ILE MG . . 4.800 3.939 3.530 4.494 . 0 0 "[ . 1]" 1
789 1 54 TRP HD1 1 67 ASN H . . 5.170 4.713 3.985 5.892 0.722 4 2 "[ +. - 1]" 1
790 1 54 TRP HD1 1 67 ASN QD . . 4.170 3.379 1.915 4.927 0.757 3 3 "[ + .* - 1]" 1
791 1 54 TRP HE1 1 65 ILE MD . . 4.730 4.172 3.240 5.207 0.477 9 0 "[ . 1]" 1
792 1 54 TRP HE1 1 65 ILE MG . . 3.660 2.876 2.455 3.671 0.011 3 0 "[ . 1]" 1
793 1 54 TRP HE1 1 67 ASN HA . . 5.500 4.972 3.966 5.812 0.312 6 0 "[ . 1]" 1
794 1 54 TRP HE1 1 67 ASN QD . . 4.010 3.159 2.233 4.275 0.265 3 0 "[ . 1]" 1
795 1 54 TRP HZ2 1 65 ILE MG . . 4.980 3.605 2.627 4.768 . 0 0 "[ . 1]" 1
796 1 54 TRP HZ2 1 67 ASN QD . . 5.440 4.692 2.655 6.107 0.667 3 2 "[- + . 1]" 1
797 1 55 PHE H 1 55 PHE QB . . 3.900 3.000 2.884 3.064 . 0 0 "[ . 1]" 1
798 1 55 PHE H 1 55 PHE QD . . 4.070 2.616 2.281 3.004 . 0 0 "[ . 1]" 1
799 1 55 PHE H 1 64 LEU HA . . 4.930 4.626 4.426 4.801 . 0 0 "[ . 1]" 1
800 1 55 PHE H 1 64 LEU QD . . 3.940 3.583 3.333 3.857 . 0 0 "[ . 1]" 1
801 1 55 PHE H 1 65 ILE MD . . 5.500 5.245 4.778 6.394 0.894 8 2 "[ - . + 1]" 1
802 1 55 PHE HA 1 56 LYS H . . 2.870 2.226 2.129 2.361 . 0 0 "[ . 1]" 1
803 1 55 PHE HA 1 64 LEU HA . . 3.900 2.220 2.062 2.486 . 0 0 "[ . 1]" 1
804 1 55 PHE HA 1 64 LEU QD . . 4.040 2.894 2.698 3.070 . 0 0 "[ . 1]" 1
805 1 55 PHE HA 1 65 ILE H . . 3.990 2.856 2.155 3.191 . 0 0 "[ . 1]" 1
806 1 55 PHE HA 1 65 ILE HB . . 5.500 4.663 3.791 5.054 . 0 0 "[ . 1]" 1
807 1 55 PHE QB 1 56 LYS H . . 3.590 2.731 2.460 2.955 . 0 0 "[ . 1]" 1
808 1 55 PHE QB 1 63 HIS H . . 5.470 3.926 3.675 4.309 . 0 0 "[ . 1]" 1
809 1 55 PHE QB 1 64 LEU QD . . 5.400 1.926 1.755 2.229 . 0 0 "[ . 1]" 1
810 1 55 PHE QB 1 65 ILE H . . 5.410 3.970 3.432 4.392 . 0 0 "[ . 1]" 1
811 1 55 PHE QB 1 65 ILE MD . . 5.390 4.705 4.011 5.886 0.496 2 0 "[ . 1]" 1
812 1 55 PHE QD 1 64 LEU QD . . 3.290 2.835 2.252 3.105 . 0 0 "[ . 1]" 1
813 1 56 LYS H 1 56 LYS HB2 . . 3.890 2.844 2.496 3.887 . 0 0 "[ . 1]" 1
814 1 56 LYS H 1 56 LYS HB3 . . 3.890 3.310 2.513 3.809 . 0 0 "[ . 1]" 1
815 1 56 LYS H 1 56 LYS QD . . 5.490 4.267 2.463 4.820 . 0 0 "[ . 1]" 1
816 1 56 LYS H 1 56 LYS QG . . 4.690 3.352 2.589 4.064 . 0 0 "[ . 1]" 1
817 1 56 LYS H 1 63 HIS H . . 3.640 2.891 2.626 3.100 . 0 0 "[ . 1]" 1
818 1 56 LYS H 1 63 HIS HA . . 4.990 4.619 4.455 4.769 . 0 0 "[ . 1]" 1
819 1 56 LYS H 1 63 HIS HB2 . . 4.000 3.205 2.763 3.570 . 0 0 "[ . 1]" 1
820 1 56 LYS H 1 64 LEU HA . . 4.260 3.624 3.381 3.874 . 0 0 "[ . 1]" 1
821 1 56 LYS H 1 64 LEU QD . . 4.830 4.559 4.383 4.744 . 0 0 "[ . 1]" 1
822 1 56 LYS H 1 65 ILE MD . . 4.270 3.669 3.066 5.028 0.758 8 1 "[ . + 1]" 1
823 1 56 LYS QB 1 56 LYS QD . . 3.450 2.310 2.112 2.785 . 0 0 "[ . 1]" 1
824 1 56 LYS QB 1 57 LYS H . . 4.290 3.116 2.664 3.879 . 0 0 "[ . 1]" 1
825 1 56 LYS QB 1 63 HIS H . . 4.040 3.574 3.138 4.670 0.630 3 1 "[ + . 1]" 1
826 1 56 LYS QB 1 63 HIS HB2 . . 4.390 2.741 1.863 3.432 . 0 0 "[ . 1]" 1
827 1 56 LYS QB 1 65 ILE MD . . 4.400 3.381 2.208 4.571 0.171 8 0 "[ . 1]" 1
828 1 56 LYS HB2 1 63 HIS H . . 4.690 4.161 3.213 5.371 0.681 3 1 "[ + . 1]" 1
829 1 56 LYS HB3 1 63 HIS H . . 4.690 4.361 3.436 5.131 0.441 3 0 "[ . 1]" 1
830 1 56 LYS QD 1 65 ILE MD . . 4.770 3.866 2.808 4.876 0.106 10 0 "[ . 1]" 1
831 1 56 LYS QG 1 65 ILE MD . . 4.250 3.584 2.624 5.445 1.195 1 1 "[+ . 1]" 1
832 1 57 LYS H 1 57 LYS QB . . 3.610 2.740 2.336 3.132 . 0 0 "[ . 1]" 1
833 1 57 LYS H 1 57 LYS QG . . 4.320 2.905 1.920 4.188 . 0 0 "[ . 1]" 1
834 1 57 LYS HA 1 58 ASP H . . 2.700 2.162 2.103 2.210 . 0 0 "[ . 1]" 1
835 1 57 LYS HA 1 62 HIS HA . . 3.930 2.591 2.237 2.919 . 0 0 "[ . 1]" 1
836 1 57 LYS HA 1 63 HIS H . . 4.130 3.661 3.224 4.107 . 0 0 "[ . 1]" 1
837 1 57 LYS QB 1 57 LYS QD . . 3.050 2.333 2.100 2.756 . 0 0 "[ . 1]" 1
838 1 57 LYS QB 1 57 LYS QE . . 3.270 2.778 1.793 3.660 0.390 9 0 "[ . 1]" 1
839 1 57 LYS QB 1 58 ASP H . . 3.740 3.366 2.770 3.970 0.230 2 0 "[ . 1]" 1
840 1 57 LYS QB 1 62 HIS HE1 . . 3.230 3.324 2.606 4.405 1.175 3 2 "[ -+ . 1]" 1
841 1 57 LYS QD 1 58 ASP H . . 4.000 4.214 3.496 5.462 1.462 7 3 "[- *. + 1]" 1
842 1 57 LYS QD 1 62 HIS HE1 . . 4.140 4.308 2.389 6.007 1.867 6 4 "[ - .+* *]" 1
843 1 57 LYS QE 1 58 ASP HA . . 5.490 4.855 3.206 6.582 1.092 7 2 "[ - . + 1]" 1
844 1 57 LYS QE 1 62 HIS HE1 . . 4.150 4.494 2.967 5.411 1.261 8 5 "[ * *- +*1]" 1
845 1 57 LYS QG 1 58 ASP H . . 4.500 3.858 2.558 4.756 0.256 10 0 "[ . 1]" 1
846 1 57 LYS QG 1 62 HIS HE1 . . 4.150 3.751 2.054 5.313 1.163 7 3 "[ .-+ *1]" 1
847 1 58 ASP H 1 58 ASP HB2 . . 3.830 2.928 2.542 3.384 . 0 0 "[ . 1]" 1
848 1 58 ASP H 1 58 ASP QB . . 3.180 2.642 2.502 2.793 . 0 0 "[ . 1]" 1
849 1 58 ASP H 1 58 ASP HB3 . . 3.830 3.334 2.750 3.788 . 0 0 "[ . 1]" 1
850 1 58 ASP H 1 61 ARG H . . 4.010 3.588 3.219 3.894 . 0 0 "[ . 1]" 1
851 1 58 ASP H 1 61 ARG HA . . 5.370 4.841 4.414 5.066 . 0 0 "[ . 1]" 1
852 1 58 ASP H 1 61 ARG QB . . 4.020 3.698 2.378 4.680 0.660 7 2 "[- . + 1]" 1
853 1 58 ASP H 1 61 ARG QG . . 4.840 4.145 2.713 5.483 0.643 4 1 "[ +. 1]" 1
854 1 58 ASP H 1 62 HIS HA . . 4.050 3.391 3.140 3.754 . 0 0 "[ . 1]" 1
855 1 58 ASP H 1 63 HIS HD2 . . 5.270 4.408 3.803 5.043 . 0 0 "[ . 1]" 1
856 1 58 ASP QB 1 61 ARG H . . 4.490 3.671 3.332 4.092 . 0 0 "[ . 1]" 1
857 1 59 GLY QA 1 61 ARG H . . 4.720 3.457 3.132 3.754 . 0 0 "[ . 1]" 1
858 1 60 GLN H 1 60 GLN QG . . 4.690 1.987 1.904 2.083 . 0 0 "[ . 1]" 1
859 1 60 GLN H 1 61 ARG H . . 3.800 2.248 2.001 2.464 . 0 0 "[ . 1]" 1
860 1 60 GLN HA 1 60 GLN QG . . 3.820 3.341 3.332 3.350 . 0 0 "[ . 1]" 1
861 1 60 GLN HA 1 62 HIS HD2 . . 4.670 4.516 3.711 5.137 0.467 1 0 "[ . 1]" 1
862 1 60 GLN QB 1 60 GLN QE . . 3.510 2.602 1.767 2.767 . 0 0 "[ . 1]" 1
863 1 60 GLN QG 1 61 ARG H . . 4.660 2.799 2.445 3.267 . 0 0 "[ . 1]" 1
864 1 61 ARG H 1 61 ARG QB . . 2.960 2.584 2.376 3.001 0.041 10 0 "[ . 1]" 1
865 1 61 ARG H 1 61 ARG QD . . 4.520 3.948 3.498 4.471 . 0 0 "[ . 1]" 1
866 1 61 ARG H 1 61 ARG HG2 . . 4.290 3.007 1.820 3.858 . 0 0 "[ . 1]" 1
867 1 61 ARG H 1 61 ARG QG . . 3.550 2.258 1.778 2.721 . 0 0 "[ . 1]" 1
868 1 61 ARG H 1 61 ARG HG3 . . 4.290 2.714 2.201 3.519 . 0 0 "[ . 1]" 1
869 1 61 ARG H 1 62 HIS H . . 4.640 4.529 4.443 4.579 . 0 0 "[ . 1]" 1
870 1 61 ARG HA 1 61 ARG QD . . 4.360 4.176 3.958 4.540 0.180 7 0 "[ . 1]" 1
871 1 61 ARG HA 1 62 HIS H . . 2.870 2.202 2.113 2.304 . 0 0 "[ . 1]" 1
872 1 61 ARG QB 1 63 HIS HE1 . . 4.460 4.649 3.461 5.638 1.178 7 3 "[ -* . + 1]" 1
873 1 61 ARG HB2 1 61 ARG QD . . 3.760 2.468 2.257 2.998 . 0 0 "[ . 1]" 1
874 1 61 ARG HB3 1 61 ARG QD . . 3.760 2.517 2.297 2.934 . 0 0 "[ . 1]" 1
875 1 61 ARG QD 1 63 HIS HE1 . . 4.680 4.716 3.312 5.619 0.939 3 4 "[ + * * -]" 1
876 1 61 ARG QG 1 62 HIS H . . 3.990 4.042 3.468 4.478 0.488 10 0 "[ . 1]" 1
877 1 61 ARG HG2 1 62 HIS H . . 4.570 4.563 3.984 5.205 0.635 10 1 "[ . +]" 1
878 1 61 ARG HG3 1 62 HIS H . . 4.570 4.703 3.573 5.181 0.611 9 1 "[ . +1]" 1
879 1 62 HIS H 1 62 HIS QB . . 3.550 2.693 2.531 2.830 . 0 0 "[ . 1]" 1
880 1 62 HIS H 1 62 HIS HD2 . . 4.070 3.356 2.875 3.731 . 0 0 "[ . 1]" 1
881 1 62 HIS H 1 63 HIS H . . 4.700 4.230 4.086 4.436 . 0 0 "[ . 1]" 1
882 1 62 HIS H 1 63 HIS HD2 . . 5.040 3.935 2.826 5.313 0.273 6 0 "[ . 1]" 1
883 1 62 HIS HA 1 63 HIS H . . 2.920 2.182 2.146 2.343 . 0 0 "[ . 1]" 1
884 1 62 HIS HA 1 63 HIS HD2 . . 4.440 3.465 3.113 3.960 . 0 0 "[ . 1]" 1
885 1 62 HIS QB 1 63 HIS H . . 4.110 3.199 2.586 3.367 . 0 0 "[ . 1]" 1
886 1 62 HIS QB 1 79 LEU QD . . 4.830 3.610 3.276 3.949 . 0 0 "[ . 1]" 1
887 1 63 HIS H 1 63 HIS HB2 . . 3.740 2.638 2.427 2.813 . 0 0 "[ . 1]" 1
888 1 63 HIS H 1 63 HIS HB3 . . 4.070 3.765 3.628 3.873 . 0 0 "[ . 1]" 1
889 1 63 HIS H 1 63 HIS HD2 . . 3.680 3.008 2.627 3.351 . 0 0 "[ . 1]" 1
890 1 63 HIS H 1 64 LEU H . . 4.710 4.303 4.186 4.400 . 0 0 "[ . 1]" 1
891 1 63 HIS H 1 65 ILE MD . . 4.900 4.896 4.235 6.039 1.139 8 3 "[ *- . + 1]" 1
892 1 63 HIS HA 1 64 LEU H . . 2.900 2.155 2.121 2.178 . 0 0 "[ . 1]" 1
893 1 63 HIS HB2 1 65 ILE MD . . 3.940 3.145 2.383 4.203 0.263 8 0 "[ . 1]" 1
894 1 63 HIS HB3 1 64 LEU H . . 3.760 3.399 3.326 3.474 . 0 0 "[ . 1]" 1
895 1 63 HIS HB3 1 65 ILE MD . . 4.030 2.863 2.157 3.896 . 0 0 "[ . 1]" 1
896 1 64 LEU H 1 64 LEU QB . . 3.620 2.381 2.330 2.433 . 0 0 "[ . 1]" 1
897 1 64 LEU H 1 64 LEU QD . . 4.750 3.872 3.835 3.898 . 0 0 "[ . 1]" 1
898 1 64 LEU H 1 64 LEU HG . . 4.420 4.422 4.332 4.492 0.072 3 0 "[ . 1]" 1
899 1 64 LEU H 1 65 ILE H . . 4.510 4.278 4.164 4.473 . 0 0 "[ . 1]" 1
900 1 64 LEU H 1 65 ILE MD . . 4.950 4.251 3.370 5.899 0.949 3 3 "[ *+ . - 1]" 1
901 1 64 LEU H 1 65 ILE QG . . 4.770 4.548 4.094 4.949 0.179 5 0 "[ . 1]" 1
902 1 64 LEU HA 1 64 LEU QD . . 3.400 2.093 1.986 2.195 . 0 0 "[ . 1]" 1
903 1 64 LEU HA 1 65 ILE H . . 2.810 2.157 2.137 2.181 . 0 0 "[ . 1]" 1
904 1 64 LEU QB 1 65 ILE H . . 4.510 3.865 3.704 3.931 . 0 0 "[ . 1]" 1
905 1 64 LEU QD 1 65 ILE H . . 3.470 2.654 2.295 2.861 . 0 0 "[ . 1]" 1
906 1 64 LEU QD 1 66 ILE MD . . 3.690 2.999 2.182 3.741 0.051 3 0 "[ . 1]" 1
907 1 64 LEU QD 1 66 ILE QG . . 4.120 3.056 2.694 3.374 . 0 0 "[ . 1]" 1
908 1 64 LEU HG 1 66 ILE MD . . 4.230 3.671 2.715 4.363 0.133 3 0 "[ . 1]" 1
909 1 65 ILE H 1 65 ILE MD . . 3.760 2.628 1.975 3.894 0.134 2 0 "[ . 1]" 1
910 1 65 ILE H 1 65 ILE QG . . 3.850 3.119 2.112 3.523 . 0 0 "[ . 1]" 1
911 1 65 ILE HA 1 65 ILE MG . . 3.710 2.391 2.281 2.455 . 0 0 "[ . 1]" 1
912 1 65 ILE HA 1 66 ILE H . . 2.870 2.158 2.124 2.243 . 0 0 "[ . 1]" 1
913 1 65 ILE HB 1 65 ILE MD . . 3.560 2.336 2.289 2.419 . 0 0 "[ . 1]" 1
914 1 65 ILE MD 1 65 ILE MG . . 3.580 2.827 1.957 3.212 . 0 0 "[ . 1]" 1
915 1 65 ILE QG 1 65 ILE MG . . 2.890 2.143 2.078 2.306 . 0 0 "[ . 1]" 1
916 1 65 ILE QG 1 66 ILE H . . 4.500 4.293 4.093 4.535 0.035 3 0 "[ . 1]" 1
917 1 65 ILE MG 1 66 ILE H . . 3.390 3.002 2.766 3.251 . 0 0 "[ . 1]" 1
918 1 65 ILE MG 1 66 ILE HB . . 5.500 4.695 4.584 4.823 . 0 0 "[ . 1]" 1
919 1 65 ILE MG 1 67 ASN H . . 4.470 3.851 3.721 4.011 . 0 0 "[ . 1]" 1
920 1 65 ILE MG 1 67 ASN HA . . 4.050 3.347 2.916 3.535 . 0 0 "[ . 1]" 1
921 1 66 ILE H 1 66 ILE HB . . 3.430 2.565 2.484 2.621 . 0 0 "[ . 1]" 1
922 1 66 ILE H 1 66 ILE MD . . 4.550 3.784 3.467 4.062 . 0 0 "[ . 1]" 1
923 1 66 ILE H 1 66 ILE HG12 . . 3.920 3.501 2.357 3.901 . 0 0 "[ . 1]" 1
924 1 66 ILE H 1 66 ILE QG . . 3.420 2.416 2.067 2.796 . 0 0 "[ . 1]" 1
925 1 66 ILE H 1 66 ILE HG13 . . 3.920 2.593 2.086 3.750 . 0 0 "[ . 1]" 1
926 1 66 ILE H 1 66 ILE MG . . 3.830 3.806 3.767 3.823 . 0 0 "[ . 1]" 1
927 1 66 ILE H 1 67 ASN H . . 4.620 4.391 4.348 4.451 . 0 0 "[ . 1]" 1
928 1 66 ILE HA 1 66 ILE MD . . 4.210 3.667 2.137 3.891 . 0 0 "[ . 1]" 1
929 1 66 ILE HA 1 66 ILE MG . . 3.380 2.382 2.325 2.489 . 0 0 "[ . 1]" 1
930 1 66 ILE HA 1 67 ASN H . . 2.670 2.149 2.107 2.182 . 0 0 "[ . 1]" 1
931 1 66 ILE HB 1 66 ILE MD . . 3.520 2.523 2.402 3.239 . 0 0 "[ . 1]" 1
932 1 66 ILE HB 1 67 ASN H . . 4.350 4.223 4.195 4.278 . 0 0 "[ . 1]" 1
933 1 66 ILE HB 1 69 ALA MB . . 4.710 4.217 3.688 4.737 0.027 7 0 "[ . 1]" 1
934 1 66 ILE MD 1 73 ASP QB . . 3.870 3.487 2.253 4.925 1.055 5 1 "[ + 1]" 1
935 1 66 ILE QG 1 67 ASN H . . 4.480 4.280 4.006 4.748 0.268 5 0 "[ . 1]" 1
936 1 66 ILE MG 1 67 ASN H . . 3.300 2.819 2.740 2.956 . 0 0 "[ . 1]" 1
937 1 66 ILE MG 1 67 ASN QB . . 4.090 4.011 3.919 4.185 0.095 3 0 "[ . 1]" 1
938 1 66 ILE MG 1 68 GLU H . . 3.210 2.421 2.251 2.621 . 0 0 "[ . 1]" 1
939 1 66 ILE MG 1 69 ALA H . . 4.040 3.371 3.037 3.758 . 0 0 "[ . 1]" 1
940 1 66 ILE MG 1 69 ALA HA . . 3.370 2.455 2.086 2.982 . 0 0 "[ . 1]" 1
941 1 66 ILE MG 1 69 ALA MB . . 4.010 3.329 2.954 3.750 . 0 0 "[ . 1]" 1
942 1 66 ILE MG 1 70 MET H . . 4.220 3.730 3.423 4.085 . 0 0 "[ . 1]" 1
943 1 67 ASN H 1 67 ASN QB . . 2.960 2.362 2.257 2.437 . 0 0 "[ . 1]" 1
944 1 67 ASN H 1 67 ASN QD . . 4.260 3.035 1.973 4.437 0.177 3 0 "[ . 1]" 1
945 1 67 ASN H 1 68 GLU H . . 3.260 2.626 2.497 2.785 . 0 0 "[ . 1]" 1
946 1 67 ASN H 1 68 GLU QB . . 5.180 5.036 4.819 5.185 0.005 7 0 "[ . 1]" 1
947 1 67 ASN H 1 68 GLU QG . . 5.500 4.824 4.554 5.188 . 0 0 "[ . 1]" 1
948 1 67 ASN HA 1 68 GLU H . . 3.530 3.534 3.512 3.562 0.032 10 0 "[ . 1]" 1
949 1 67 ASN HA 1 68 GLU QG . . 4.520 4.143 3.975 4.367 . 0 0 "[ . 1]" 1
950 1 67 ASN QB 1 68 GLU H . . 3.260 2.531 2.337 2.738 . 0 0 "[ . 1]" 1
951 1 67 ASN QD 1 68 GLU H . . 5.000 4.266 3.562 4.690 . 0 0 "[ . 1]" 1
952 1 68 GLU H 1 68 GLU QB . . 3.130 2.718 2.645 2.822 . 0 0 "[ . 1]" 1
953 1 68 GLU H 1 68 GLU QG . . 3.850 3.056 2.853 3.209 . 0 0 "[ . 1]" 1
954 1 68 GLU H 1 69 ALA H . . 4.140 4.015 3.922 4.224 0.084 7 0 "[ . 1]" 1
955 1 68 GLU HA 1 68 GLU QG . . 3.630 2.473 2.396 2.554 . 0 0 "[ . 1]" 1
956 1 68 GLU HA 1 69 ALA H . . 2.560 2.165 2.134 2.214 . 0 0 "[ . 1]" 1
957 1 68 GLU HA 1 69 ALA MB . . 4.240 4.025 3.996 4.077 . 0 0 "[ . 1]" 1
958 1 68 GLU QB 1 69 ALA H . . 3.570 3.454 3.177 3.606 0.036 3 0 "[ . 1]" 1
959 1 68 GLU QB 1 69 ALA MB . . 4.910 4.565 4.353 4.668 . 0 0 "[ . 1]" 1
960 1 68 GLU QG 1 69 ALA H . . 4.030 4.299 4.109 4.485 0.455 3 0 "[ . 1]" 1
961 1 69 ALA H 1 69 ALA MB . . 2.700 2.239 2.225 2.251 . 0 0 "[ . 1]" 1
962 1 69 ALA H 1 70 MET H . . 4.690 4.560 4.503 4.628 . 0 0 "[ . 1]" 1
963 1 69 ALA HA 1 70 MET H . . 2.810 2.170 2.134 2.239 . 0 0 "[ . 1]" 1
964 1 69 ALA HA 1 70 MET QB . . 4.210 4.018 3.758 4.273 0.063 2 0 "[ . 1]" 1
965 1 69 ALA MB 1 70 MET H . . 3.530 3.016 2.757 3.168 . 0 0 "[ . 1]" 1
966 1 69 ALA MB 1 73 ASP H . . 5.380 5.349 4.878 5.964 0.584 9 2 "[ - . +1]" 1
967 1 69 ALA MB 1 73 ASP QB . . 4.550 3.482 3.084 4.238 . 0 0 "[ . 1]" 1
968 1 69 ALA MB 1 92 VAL QG . . 3.340 2.182 1.945 2.537 . 0 0 "[ . 1]" 1
969 1 70 MET H 1 70 MET HB2 . . 3.870 2.889 2.603 3.100 . 0 0 "[ . 1]" 1
970 1 70 MET H 1 70 MET QB . . 3.240 2.550 2.387 2.663 . 0 0 "[ . 1]" 1
971 1 70 MET H 1 70 MET HB3 . . 3.870 3.053 2.520 3.815 . 0 0 "[ . 1]" 1
972 1 70 MET H 1 70 MET HG2 . . 5.080 4.479 3.257 4.985 . 0 0 "[ . 1]" 1
973 1 70 MET H 1 70 MET QG . . 4.330 3.851 3.036 4.309 . 0 0 "[ . 1]" 1
974 1 70 MET H 1 70 MET HG3 . . 5.080 4.313 3.123 4.714 . 0 0 "[ . 1]" 1
975 1 70 MET H 1 71 LEU H . . 4.480 4.446 4.394 4.515 0.035 5 0 "[ . 1]" 1
976 1 70 MET H 1 72 GLU H . . 4.690 4.786 4.513 5.422 0.732 3 2 "[ + . -1]" 1
977 1 70 MET H 1 73 ASP H . . 3.870 3.471 3.114 3.719 . 0 0 "[ . 1]" 1
978 1 70 MET H 1 73 ASP QB . . 3.610 2.506 1.726 3.234 . 0 0 "[ . 1]" 1
979 1 70 MET H 1 74 ALA H . . 5.500 5.118 4.488 5.776 0.276 6 0 "[ . 1]" 1
980 1 70 MET H 1 92 VAL QG . . 4.460 3.148 2.651 3.659 . 0 0 "[ . 1]" 1
981 1 70 MET HA 1 70 MET HG2 . . 4.130 3.206 2.361 3.758 . 0 0 "[ . 1]" 1
982 1 70 MET HA 1 70 MET HG3 . . 4.130 2.972 2.330 3.739 . 0 0 "[ . 1]" 1
983 1 70 MET HA 1 71 LEU H . . 2.880 2.491 2.339 2.588 . 0 0 "[ . 1]" 1
984 1 70 MET HA 1 71 LEU QD . . 4.810 3.496 2.944 5.084 0.274 6 0 "[ . 1]" 1
985 1 70 MET HA 1 73 ASP H . . 5.040 4.638 4.377 4.845 . 0 0 "[ . 1]" 1
986 1 70 MET QB 1 70 MET ME . . 3.190 2.507 1.934 3.706 0.516 4 3 "[ -+. *1]" 1
987 1 70 MET QB 1 72 GLU QB . . 3.580 3.437 2.744 4.555 0.975 3 2 "[ + . -1]" 1
988 1 70 MET QB 1 73 ASP H . . 3.710 3.190 2.511 3.917 0.207 2 0 "[ . 1]" 1
989 1 70 MET ME 1 71 LEU H . . 4.400 3.729 2.564 4.662 0.262 5 0 "[ . 1]" 1
990 1 70 MET QG 1 71 LEU H . . 3.760 2.515 1.780 4.120 0.360 8 0 "[ . 1]" 1
991 1 70 MET QG 1 72 GLU H . . 4.260 3.038 1.758 5.059 0.799 2 1 "[ + . 1]" 1
992 1 70 MET HG2 1 71 LEU H . . 4.400 3.253 1.816 4.705 0.305 8 0 "[ . 1]" 1
993 1 70 MET HG3 1 71 LEU H . . 4.400 2.967 1.785 4.738 0.338 6 0 "[ . 1]" 1
994 1 71 LEU H 1 71 LEU HB2 . . 2.650 2.406 2.329 2.542 . 0 0 "[ . 1]" 1
995 1 71 LEU H 1 71 LEU HB3 . . 3.720 3.491 2.686 3.591 . 0 0 "[ . 1]" 1
996 1 71 LEU H 1 71 LEU MD1 . . 4.500 3.168 1.795 4.286 . 0 0 "[ . 1]" 1
997 1 71 LEU H 1 71 LEU QD . . 3.450 2.262 1.781 3.630 0.180 6 0 "[ . 1]" 1
998 1 71 LEU H 1 71 LEU MD2 . . 4.500 2.759 1.789 3.920 . 0 0 "[ . 1]" 1
999 1 71 LEU H 1 71 LEU HG . . 4.090 3.566 2.105 4.545 0.455 6 0 "[ . 1]" 1
1000 1 71 LEU H 1 73 ASP H . . 4.540 4.119 3.680 4.321 . 0 0 "[ . 1]" 1
1001 1 71 LEU H 1 92 VAL QG . . 4.350 4.112 3.534 4.765 0.415 7 0 "[ . 1]" 1
1002 1 71 LEU HA 1 71 LEU QD . . 2.900 2.072 1.841 2.801 . 0 0 "[ . 1]" 1
1003 1 71 LEU HA 1 73 ASP H . . 4.040 3.853 3.702 3.978 . 0 0 "[ . 1]" 1
1004 1 71 LEU HA 1 74 ALA H . . 3.970 3.595 3.193 3.871 . 0 0 "[ . 1]" 1
1005 1 71 LEU HA 1 74 ALA MB . . 4.310 3.137 2.402 3.722 . 0 0 "[ . 1]" 1
1006 1 71 LEU HA 1 92 VAL HB . . 3.710 3.510 2.660 5.086 1.376 6 1 "[ .+ 1]" 1
1007 1 71 LEU HA 1 92 VAL QG . . 3.510 3.270 2.368 3.811 0.301 7 0 "[ . 1]" 1
1008 1 71 LEU HB2 1 72 GLU H . . 3.070 2.894 2.506 3.866 0.796 6 1 "[ .+ 1]" 1
1009 1 71 LEU HB2 1 72 GLU HA . . 5.090 4.581 4.324 5.665 0.575 6 1 "[ .+ 1]" 1
1010 1 71 LEU HB3 1 72 GLU H . . 4.020 3.546 2.843 3.735 . 0 0 "[ . 1]" 1
1011 1 71 LEU HB3 1 73 ASP H . . 5.500 5.167 4.976 5.307 . 0 0 "[ . 1]" 1
1012 1 71 LEU HB3 1 74 ALA H . . 5.000 5.072 4.824 5.348 0.348 6 0 "[ . 1]" 1
1013 1 71 LEU QD 1 72 GLU H . . 4.310 3.816 3.520 4.186 . 0 0 "[ . 1]" 1
1014 1 71 LEU QD 1 92 VAL HB . . 3.860 3.956 2.735 5.641 1.781 4 3 "[ +.-* 1]" 1
1015 1 71 LEU QD 1 93 GLN HA . . 4.940 4.125 3.025 5.846 0.906 4 1 "[ +. 1]" 1
1016 1 71 LEU QD 1 94 GLU H . . 4.240 3.666 2.919 4.778 0.538 4 1 "[ +. 1]" 1
1017 1 71 LEU QD 1 94 GLU HA . . 4.530 3.434 2.725 3.905 . 0 0 "[ . 1]" 1
1018 1 71 LEU QD 1 94 GLU QG . . 3.640 2.482 1.819 3.784 0.144 2 0 "[ . 1]" 1
1019 1 71 LEU QD 1 95 LYS H . . 5.440 4.706 4.235 5.435 . 0 0 "[ . 1]" 1
1020 1 71 LEU MD1 1 72 GLU H . . 5.000 4.402 3.678 4.664 . 0 0 "[ . 1]" 1
1021 1 71 LEU MD2 1 72 GLU H . . 5.000 4.340 3.928 4.912 . 0 0 "[ . 1]" 1
1022 1 72 GLU H 1 72 GLU QB . . 2.890 2.413 2.030 2.742 . 0 0 "[ . 1]" 1
1023 1 72 GLU H 1 72 GLU QG . . 3.160 2.531 1.794 3.638 0.478 5 0 "[ . 1]" 1
1024 1 72 GLU H 1 73 ASP H . . 3.230 2.639 2.483 2.794 . 0 0 "[ . 1]" 1
1025 1 72 GLU H 1 74 ALA H . . 4.240 4.185 3.971 4.349 0.109 4 0 "[ . 1]" 1
1026 1 72 GLU HA 1 72 GLU QG . . 3.610 2.800 2.416 3.450 . 0 0 "[ . 1]" 1
1027 1 72 GLU HA 1 74 ALA H . . 4.170 3.844 3.685 4.061 . 0 0 "[ . 1]" 1
1028 1 72 GLU QB 1 73 ASP H . . 3.860 3.021 2.622 3.643 . 0 0 "[ . 1]" 1
1029 1 72 GLU QB 1 74 ALA H . . 4.650 4.590 4.435 4.839 0.189 9 0 "[ . 1]" 1
1030 1 72 GLU QG 1 73 ASP H . . 5.340 3.959 2.439 4.695 . 0 0 "[ . 1]" 1
1031 1 73 ASP H 1 73 ASP QB . . 2.960 2.378 2.173 2.529 . 0 0 "[ . 1]" 1
1032 1 73 ASP H 1 74 ALA H . . 2.810 2.459 2.268 2.611 . 0 0 "[ . 1]" 1
1033 1 73 ASP H 1 74 ALA MB . . 4.320 4.107 3.859 4.330 0.010 6 0 "[ . 1]" 1
1034 1 73 ASP H 1 75 GLY H . . 4.640 4.358 4.066 4.699 0.059 10 0 "[ . 1]" 1
1035 1 73 ASP H 1 92 VAL QG . . 3.650 3.667 2.904 4.255 0.605 3 2 "[ + . -1]" 1
1036 1 73 ASP QB 1 74 ALA H . . 3.610 3.161 3.102 3.215 . 0 0 "[ . 1]" 1
1037 1 73 ASP QB 1 92 VAL QG . . 4.260 2.351 1.803 3.559 . 0 0 "[ . 1]" 1
1038 1 74 ALA H 1 74 ALA MB . . 2.600 2.235 2.211 2.271 . 0 0 "[ . 1]" 1
1039 1 74 ALA H 1 75 GLY H . . 4.050 2.762 2.498 2.961 . 0 0 "[ . 1]" 1
1040 1 74 ALA H 1 90 LEU HG . . 5.290 5.921 5.466 6.523 1.233 3 4 "[*-+ . *]" 1
1041 1 74 ALA H 1 92 VAL HB . . 3.820 3.547 2.944 4.072 0.252 5 0 "[ . 1]" 1
1042 1 74 ALA H 1 92 VAL QG . . 3.180 3.166 2.177 3.518 0.338 9 0 "[ . 1]" 1
1043 1 74 ALA HA 1 75 GLY H . . 3.380 3.274 3.188 3.460 0.080 4 0 "[ . 1]" 1
1044 1 74 ALA HA 1 90 LEU H . . 5.500 5.262 3.988 6.086 0.586 9 1 "[ . +1]" 1
1045 1 74 ALA HA 1 90 LEU QD . . 5.330 3.799 2.323 4.310 . 0 0 "[ . 1]" 1
1046 1 74 ALA HA 1 92 VAL H . . 4.350 2.700 1.762 4.293 . 0 0 "[ . 1]" 1
1047 1 74 ALA HA 1 92 VAL HB . . 4.450 3.395 2.782 4.127 . 0 0 "[ . 1]" 1
1048 1 74 ALA HA 1 92 VAL QG . . 3.680 2.329 1.911 2.801 . 0 0 "[ . 1]" 1
1049 1 74 ALA MB 1 75 GLY H . . 3.390 3.258 2.857 3.430 0.040 10 0 "[ . 1]" 1
1050 1 74 ALA MB 1 91 ILE HA . . 3.520 3.095 2.566 3.596 0.076 6 0 "[ . 1]" 1
1051 1 74 ALA MB 1 92 VAL H . . 3.270 2.302 1.998 2.817 . 0 0 "[ . 1]" 1
1052 1 74 ALA MB 1 92 VAL HB . . 3.080 2.424 1.832 3.903 0.823 6 1 "[ .+ 1]" 1
1053 1 74 ALA MB 1 92 VAL QG . . 3.190 2.675 1.769 3.426 0.236 7 0 "[ . 1]" 1
1054 1 75 GLY H 1 76 HIS H . . 4.730 4.575 4.496 4.628 . 0 0 "[ . 1]" 1
1055 1 75 GLY H 1 77 TYR QD . . 4.710 5.282 4.896 5.769 1.059 4 6 "[* +* * *-]" 1
1056 1 75 GLY H 1 90 LEU QB . . 4.350 5.029 4.442 5.805 1.455 7 7 "[* **.-+ **]" 1
1057 1 75 GLY H 1 90 LEU QD . . 4.700 4.913 3.799 5.387 0.687 10 3 "[ *. - +]" 1
1058 1 75 GLY H 1 90 LEU HG . . 5.050 6.167 5.305 6.499 1.449 10 9 "[*******- +]" 1
1059 1 75 GLY H 1 91 ILE HA . . 5.220 6.062 5.422 6.559 1.339 9 7 "[* *-** *+1]" 1
1060 1 75 GLY H 1 92 VAL HB . . 5.500 5.757 5.214 6.529 1.029 5 3 "[ + -*]" 1
1061 1 75 GLY H 1 92 VAL QG . . 5.060 4.505 4.093 4.849 . 0 0 "[ . 1]" 1
1062 1 75 GLY QA 1 76 HIS H . . 3.030 2.218 2.103 2.285 . 0 0 "[ . 1]" 1
1063 1 75 GLY QA 1 76 HIS HA . . 4.560 3.975 3.932 4.015 . 0 0 "[ . 1]" 1
1064 1 75 GLY QA 1 90 LEU H . . 5.170 5.328 4.740 5.978 0.808 7 2 "[ -. + 1]" 1
1065 1 76 HIS H 1 76 HIS HB2 . . 3.740 2.526 2.404 2.697 . 0 0 "[ . 1]" 1
1066 1 76 HIS H 1 76 HIS QB . . 3.010 2.479 2.370 2.625 . 0 0 "[ . 1]" 1
1067 1 76 HIS H 1 76 HIS HB3 . . 3.740 3.613 3.594 3.643 . 0 0 "[ . 1]" 1
1068 1 76 HIS H 1 76 HIS HD2 . . 4.680 3.662 2.231 5.079 0.399 2 0 "[ . 1]" 1
1069 1 76 HIS H 1 77 TYR H . . 4.760 4.491 4.330 4.654 . 0 0 "[ . 1]" 1
1070 1 76 HIS H 1 77 TYR QD . . 5.370 5.582 5.139 6.122 0.752 5 1 "[ + 1]" 1
1071 1 76 HIS H 1 89 GLU HA . . 5.090 5.154 4.889 5.535 0.445 8 0 "[ . 1]" 1
1072 1 76 HIS H 1 89 GLU QB . . 5.500 5.227 3.977 6.157 0.657 8 1 "[ . + 1]" 1
1073 1 76 HIS H 1 90 LEU H . . 4.220 5.173 4.156 5.571 1.351 10 9 "[***-**** +]" 1
1074 1 76 HIS HA 1 77 TYR H . . 2.820 2.179 2.083 2.325 . 0 0 "[ . 1]" 1
1075 1 76 HIS HA 1 89 GLU H . . 5.460 5.382 4.438 6.158 0.698 4 2 "[ +. - 1]" 1
1076 1 76 HIS HA 1 89 GLU HA . . 3.620 2.706 2.188 3.503 . 0 0 "[ . 1]" 1
1077 1 76 HIS HA 1 90 LEU H . . 4.230 2.826 1.850 3.616 . 0 0 "[ . 1]" 1
1078 1 76 HIS QB 1 77 TYR H . . 3.720 3.236 2.669 3.556 . 0 0 "[ . 1]" 1
1079 1 76 HIS HB2 1 77 TYR H . . 4.390 4.208 3.859 4.446 0.056 2 0 "[ . 1]" 1
1080 1 76 HIS HB3 1 77 TYR H . . 4.390 3.372 2.721 3.741 . 0 0 "[ . 1]" 1
1081 1 76 HIS HE1 1 89 GLU QB . . 3.940 3.872 3.385 4.362 0.422 3 0 "[ . 1]" 1
1082 1 76 HIS HE1 1 89 GLU QG . . 4.680 5.419 4.404 6.091 1.411 2 7 "[*+*-.* **1]" 1
1083 1 77 TYR H 1 77 TYR QB . . 3.470 2.353 2.236 2.542 . 0 0 "[ . 1]" 1
1084 1 77 TYR H 1 77 TYR QD . . 3.420 2.793 2.540 3.297 . 0 0 "[ . 1]" 1
1085 1 77 TYR H 1 78 ALA H . . 5.300 4.479 4.283 4.556 . 0 0 "[ . 1]" 1
1086 1 77 TYR H 1 78 ALA HA . . 5.390 5.243 4.919 5.434 0.044 7 0 "[ . 1]" 1
1087 1 77 TYR H 1 87 LEU QD . . 5.440 4.391 3.822 5.407 . 0 0 "[ . 1]" 1
1088 1 77 TYR H 1 88 ALA H . . 4.010 4.154 3.638 5.626 1.616 7 2 "[ -. + 1]" 1
1089 1 77 TYR H 1 88 ALA MB . . 4.810 4.417 3.938 5.656 0.846 7 1 "[ . + 1]" 1
1090 1 77 TYR H 1 89 GLU HA . . 3.850 3.260 2.118 4.380 0.530 4 1 "[ +. 1]" 1
1091 1 77 TYR H 1 89 GLU QB . . 5.500 4.775 3.419 5.929 0.429 4 0 "[ . 1]" 1
1092 1 77 TYR H 1 90 LEU H . . 4.370 3.319 3.033 3.624 . 0 0 "[ . 1]" 1
1093 1 77 TYR H 1 90 LEU QD . . 5.500 4.915 3.784 5.619 0.119 5 0 "[ . 1]" 1
1094 1 77 TYR HA 1 77 TYR QD . . 4.570 2.873 2.686 3.009 . 0 0 "[ . 1]" 1
1095 1 77 TYR HA 1 78 ALA H . . 2.800 2.151 2.087 2.281 . 0 0 "[ . 1]" 1
1096 1 77 TYR HA 1 78 ALA MB . . 4.110 3.966 3.878 4.007 . 0 0 "[ . 1]" 1
1097 1 77 TYR HA 1 88 ALA H . . 5.270 5.242 4.926 6.247 0.977 7 2 "[ -. + 1]" 1
1098 1 77 TYR QB 1 78 ALA H . . 3.660 3.087 2.647 3.291 . 0 0 "[ . 1]" 1
1099 1 77 TYR QB 1 88 ALA H . . 5.360 4.022 3.249 5.053 . 0 0 "[ . 1]" 1
1100 1 77 TYR QB 1 88 ALA MB . . 4.280 3.702 2.980 5.017 0.737 7 1 "[ . + 1]" 1
1101 1 77 TYR QB 1 90 LEU H . . 5.110 4.441 3.695 5.326 0.216 4 0 "[ . 1]" 1
1102 1 77 TYR QD 1 90 LEU H . . 5.080 3.615 2.394 4.803 . 0 0 "[ . 1]" 1
1103 1 77 TYR QD 1 90 LEU QD . . 4.480 3.071 2.165 3.671 . 0 0 "[ . 1]" 1
1104 1 77 TYR QE 1 90 LEU QD . . 4.070 2.483 2.123 3.053 . 0 0 "[ . 1]" 1
1105 1 78 ALA H 1 78 ALA MB . . 3.180 2.530 2.473 2.641 . 0 0 "[ . 1]" 1
1106 1 78 ALA H 1 79 LEU H . . 4.700 4.344 4.248 4.416 . 0 0 "[ . 1]" 1
1107 1 78 ALA H 1 87 LEU HA . . 5.320 4.983 4.724 5.436 0.116 7 0 "[ . 1]" 1
1108 1 78 ALA HA 1 79 LEU H . . 2.810 2.182 2.148 2.235 . 0 0 "[ . 1]" 1
1109 1 78 ALA HA 1 86 ALA H . . 5.050 5.059 4.608 5.635 0.585 7 1 "[ . + 1]" 1
1110 1 78 ALA HA 1 87 LEU H . . 5.050 4.888 4.667 5.332 0.282 7 0 "[ . 1]" 1
1111 1 78 ALA HA 1 87 LEU HA . . 3.700 2.300 2.109 2.619 . 0 0 "[ . 1]" 1
1112 1 78 ALA HA 1 88 ALA H . . 3.680 3.288 3.026 3.496 . 0 0 "[ . 1]" 1
1113 1 78 ALA MB 1 79 LEU H . . 3.400 2.916 2.777 2.975 . 0 0 "[ . 1]" 1
1114 1 78 ALA MB 1 85 GLN QE . . 4.510 3.622 2.476 5.629 1.119 8 1 "[ . + 1]" 1
1115 1 78 ALA MB 1 87 LEU HA . . 3.710 3.075 2.697 3.428 . 0 0 "[ . 1]" 1
1116 1 78 ALA MB 1 87 LEU QD . . 3.630 2.591 1.907 3.167 . 0 0 "[ . 1]" 1
1117 1 78 ALA MB 1 87 LEU HG . . 3.140 2.723 1.879 4.512 1.372 2 2 "[ + -. 1]" 1
1118 1 78 ALA MB 1 88 ALA H . . 4.370 4.066 3.730 4.440 0.070 5 0 "[ . 1]" 1
1119 1 79 LEU H 1 79 LEU HB2 . . 3.830 2.916 2.751 3.072 . 0 0 "[ . 1]" 1
1120 1 79 LEU H 1 79 LEU QB . . 3.290 2.421 2.343 2.506 . 0 0 "[ . 1]" 1
1121 1 79 LEU H 1 79 LEU HB3 . . 3.830 2.592 2.489 2.746 . 0 0 "[ . 1]" 1
1122 1 79 LEU H 1 79 LEU MD1 . . 4.800 4.450 4.204 4.617 . 0 0 "[ . 1]" 1
1123 1 79 LEU H 1 79 LEU QD . . 4.220 3.815 3.762 3.879 . 0 0 "[ . 1]" 1
1124 1 79 LEU H 1 79 LEU MD2 . . 4.800 4.172 4.030 4.382 . 0 0 "[ . 1]" 1
1125 1 79 LEU H 1 85 GLN QB . . 5.340 4.924 3.713 6.224 0.884 4 2 "[ +. -1]" 1
1126 1 79 LEU H 1 86 ALA H . . 3.470 3.235 2.967 3.644 0.174 7 0 "[ . 1]" 1
1127 1 79 LEU H 1 86 ALA MB . . 3.740 3.248 2.709 3.658 . 0 0 "[ . 1]" 1
1128 1 79 LEU H 1 87 LEU H . . 5.080 4.790 4.574 4.888 . 0 0 "[ . 1]" 1
1129 1 79 LEU H 1 87 LEU HA . . 4.190 3.369 3.183 3.532 . 0 0 "[ . 1]" 1
1130 1 79 LEU H 1 88 ALA H . . 5.470 4.808 4.367 5.182 . 0 0 "[ . 1]" 1
1131 1 79 LEU HA 1 79 LEU MD1 . . 4.010 3.128 2.035 3.707 . 0 0 "[ . 1]" 1
1132 1 79 LEU HA 1 79 LEU QD . . 3.450 2.730 2.028 3.085 . 0 0 "[ . 1]" 1
1133 1 79 LEU HA 1 79 LEU MD2 . . 4.010 3.467 2.974 3.910 . 0 0 "[ . 1]" 1
1134 1 79 LEU HA 1 80 CYS H . . 2.850 2.143 2.125 2.161 . 0 0 "[ . 1]" 1
1135 1 79 LEU QB 1 79 LEU QD . . 2.800 1.905 1.851 1.944 . 0 0 "[ . 1]" 1
1136 1 79 LEU QB 1 86 ALA H . . 4.020 2.992 2.543 3.664 . 0 0 "[ . 1]" 1
1137 1 79 LEU HB2 1 80 CYS H . . 4.530 4.388 4.229 4.504 . 0 0 "[ . 1]" 1
1138 1 79 LEU HB3 1 80 CYS H . . 4.530 4.305 4.165 4.402 . 0 0 "[ . 1]" 1
1139 1 79 LEU QD 1 80 CYS H . . 3.500 3.054 2.692 3.743 0.243 1 0 "[ . 1]" 1
1140 1 79 LEU QD 1 81 THR H . . 5.140 3.890 3.350 4.764 . 0 0 "[ . 1]" 1
1141 1 79 LEU MD1 1 80 CYS H . . 4.350 4.127 2.707 4.973 0.623 2 2 "[ + . -]" 1
1142 1 79 LEU MD2 1 80 CYS H . . 4.350 3.714 2.953 4.915 0.565 5 2 "[ + - 1]" 1
1143 1 79 LEU HG 1 80 CYS H . . 4.270 3.338 2.830 3.704 . 0 0 "[ . 1]" 1
1144 1 80 CYS H 1 80 CYS HB2 . . 3.890 2.706 2.482 2.972 . 0 0 "[ . 1]" 1
1145 1 80 CYS H 1 80 CYS QB . . 3.280 2.453 2.311 2.524 . 0 0 "[ . 1]" 1
1146 1 80 CYS H 1 80 CYS HB3 . . 3.890 3.125 2.511 3.696 . 0 0 "[ . 1]" 1
1147 1 80 CYS H 1 81 THR H . . 4.630 4.394 4.348 4.450 . 0 0 "[ . 1]" 1
1148 1 80 CYS H 1 85 GLN HA . . 5.190 5.211 4.822 5.662 0.472 7 0 "[ . 1]" 1
1149 1 80 CYS HA 1 81 THR H . . 2.770 2.150 2.124 2.175 . 0 0 "[ . 1]" 1
1150 1 80 CYS HA 1 85 GLN HA . . 3.670 2.875 2.216 3.708 0.038 7 0 "[ . 1]" 1
1151 1 80 CYS HB2 1 81 THR H . . 4.390 4.258 4.171 4.373 . 0 0 "[ . 1]" 1
1152 1 80 CYS HB3 1 81 THR H . . 4.390 3.831 3.399 4.296 . 0 0 "[ . 1]" 1
1153 1 81 THR H 1 81 THR MG . . 4.050 3.405 2.544 3.901 . 0 0 "[ . 1]" 1
1154 1 81 THR H 1 83 GLY H . . 4.650 4.197 3.810 4.938 0.288 1 0 "[ . 1]" 1
1155 1 81 THR H 1 85 GLN H . . 5.090 4.870 4.501 5.155 0.065 1 0 "[ . 1]" 1
1156 1 81 THR H 1 85 GLN HA . . 3.710 2.965 2.730 3.335 . 0 0 "[ . 1]" 1
1157 1 81 THR H 1 85 GLN QB . . 4.520 3.500 2.309 4.339 . 0 0 "[ . 1]" 1
1158 1 81 THR HB 1 82 SER H . . 3.920 2.779 1.941 3.597 . 0 0 "[ . 1]" 1
1159 1 81 THR HB 1 83 GLY H . . 3.870 2.681 2.108 3.023 . 0 0 "[ . 1]" 1
1160 1 81 THR HB 1 84 GLY H . . 4.070 3.358 1.755 4.519 0.449 3 0 "[ . 1]" 1
1161 1 81 THR MG 1 82 SER H . . 4.500 2.521 1.733 3.630 . 0 0 "[ . 1]" 1
1162 1 81 THR MG 1 83 GLY H . . 4.010 3.066 1.859 4.137 0.127 4 0 "[ . 1]" 1
1163 1 81 THR MG 1 84 GLY H . . 3.740 3.844 2.884 4.334 0.594 10 3 "[ - * +]" 1
1164 1 81 THR MG 1 85 GLN HA . . 5.500 4.694 3.083 5.878 0.378 9 0 "[ . 1]" 1
1165 1 82 SER H 1 83 GLY H . . 5.010 2.673 2.591 2.829 . 0 0 "[ . 1]" 1
1166 1 82 SER QB 1 83 GLY H . . 4.470 3.196 2.667 3.776 . 0 0 "[ . 1]" 1
1167 1 83 GLY H 1 84 GLY H . . 3.140 2.696 1.795 3.379 0.239 7 0 "[ . 1]" 1
1168 1 83 GLY QA 1 84 GLY H . . 3.470 2.411 2.137 2.916 . 0 0 "[ . 1]" 1
1169 1 84 GLY H 1 85 GLN H . . 4.550 4.477 4.433 4.566 0.016 4 0 "[ . 1]" 1
1170 1 84 GLY H 1 85 GLN HA . . 5.270 5.079 4.969 5.223 . 0 0 "[ . 1]" 1
1171 1 84 GLY H 1 85 GLN QB . . 5.340 5.546 5.270 5.752 0.412 5 0 "[ . 1]" 1
1172 1 84 GLY QA 1 85 GLN H . . 2.850 2.234 2.107 2.291 . 0 0 "[ . 1]" 1
1173 1 85 GLN H 1 85 GLN HB2 . . 4.040 3.544 2.889 3.920 . 0 0 "[ . 1]" 1
1174 1 85 GLN H 1 85 GLN QB . . 3.370 2.835 2.417 3.180 . 0 0 "[ . 1]" 1
1175 1 85 GLN H 1 85 GLN HB3 . . 4.040 2.989 2.592 3.370 . 0 0 "[ . 1]" 1
1176 1 85 GLN H 1 86 ALA H . . 4.470 4.332 4.192 4.542 0.072 7 0 "[ . 1]" 1
1177 1 85 GLN HA 1 86 ALA H . . 2.800 2.189 2.133 2.307 . 0 0 "[ . 1]" 1
1178 1 85 GLN HA 1 86 ALA MB . . 4.520 3.967 3.912 4.012 . 0 0 "[ . 1]" 1
1179 1 85 GLN QB 1 85 GLN QE . . 3.250 2.479 1.733 3.483 0.233 9 0 "[ . 1]" 1
1180 1 85 GLN QB 1 86 ALA H . . 3.700 3.248 2.606 3.805 0.105 9 0 "[ . 1]" 1
1181 1 85 GLN QB 1 87 LEU H . . 5.340 5.398 5.019 5.707 0.367 9 0 "[ . 1]" 1
1182 1 85 GLN HB2 1 85 GLN HE22 . . 4.950 3.964 3.309 4.801 . 0 0 "[ . 1]" 1
1183 1 85 GLN HB2 1 86 ALA H . . 4.570 3.495 2.645 4.333 . 0 0 "[ . 1]" 1
1184 1 85 GLN HB3 1 85 GLN HE22 . . 4.950 4.145 3.537 4.740 . 0 0 "[ . 1]" 1
1185 1 85 GLN HB3 1 86 ALA H . . 4.570 4.104 3.933 4.244 . 0 0 "[ . 1]" 1
1186 1 85 GLN QE 1 87 LEU QB . . 4.190 3.433 1.763 5.140 0.950 10 1 "[ . +]" 1
1187 1 85 GLN QE 1 87 LEU QD . . 3.800 3.362 2.432 4.689 0.889 10 2 "[ . - +]" 1
1188 1 86 ALA H 1 86 ALA MB . . 3.520 2.409 2.324 2.562 . 0 0 "[ . 1]" 1
1189 1 86 ALA H 1 87 LEU H . . 4.580 4.380 4.209 4.537 . 0 0 "[ . 1]" 1
1190 1 86 ALA HA 1 87 LEU H . . 2.570 2.181 2.128 2.252 . 0 0 "[ . 1]" 1
1191 1 86 ALA MB 1 87 LEU H . . 3.710 3.062 2.705 3.250 . 0 0 "[ . 1]" 1
1192 1 86 ALA MB 1 87 LEU HA . . 4.920 4.090 3.921 4.193 . 0 0 "[ . 1]" 1
1193 1 87 LEU H 1 87 LEU HB2 . . 3.420 2.974 2.698 3.346 . 0 0 "[ . 1]" 1
1194 1 87 LEU H 1 87 LEU QB . . 2.820 2.543 2.389 2.696 . 0 0 "[ . 1]" 1
1195 1 87 LEU H 1 87 LEU HB3 . . 3.420 2.773 2.524 2.908 . 0 0 "[ . 1]" 1
1196 1 87 LEU H 1 87 LEU MD1 . . 5.150 4.528 4.311 4.742 . 0 0 "[ . 1]" 1
1197 1 87 LEU H 1 87 LEU QD . . 4.130 3.900 3.831 4.032 . 0 0 "[ . 1]" 1
1198 1 87 LEU H 1 87 LEU MD2 . . 5.150 4.275 4.157 4.677 . 0 0 "[ . 1]" 1
1199 1 87 LEU H 1 88 ALA H . . 4.490 4.278 4.133 4.454 . 0 0 "[ . 1]" 1
1200 1 87 LEU H 1 88 ALA MB . . 4.940 4.459 4.096 4.858 . 0 0 "[ . 1]" 1
1201 1 87 LEU HA 1 88 ALA H . . 2.650 2.149 2.110 2.184 . 0 0 "[ . 1]" 1
1202 1 87 LEU HA 1 88 ALA MB . . 4.360 3.998 3.957 4.058 . 0 0 "[ . 1]" 1
1203 1 87 LEU HB2 1 88 ALA H . . 4.340 4.312 4.087 4.435 0.095 6 0 "[ . 1]" 1
1204 1 87 LEU HB3 1 88 ALA H . . 4.340 4.100 4.002 4.244 . 0 0 "[ . 1]" 1
1205 1 87 LEU QD 1 88 ALA H . . 3.780 2.476 2.074 2.718 . 0 0 "[ . 1]" 1
1206 1 87 LEU QD 1 89 GLU H . . 5.100 3.986 3.570 4.910 . 0 0 "[ . 1]" 1
1207 1 87 LEU MD1 1 88 ALA H . . 4.510 4.139 2.078 4.786 0.276 7 0 "[ . 1]" 1
1208 1 87 LEU MD2 1 88 ALA H . . 4.510 2.924 2.366 4.562 0.052 2 0 "[ . 1]" 1
1209 1 87 LEU HG 1 88 ALA H . . 3.420 3.199 2.838 3.530 0.110 7 0 "[ . 1]" 1
1210 1 88 ALA H 1 88 ALA MB . . 3.280 2.631 2.466 2.713 . 0 0 "[ . 1]" 1
1211 1 88 ALA HA 1 89 GLU H . . 2.770 2.267 2.159 2.359 . 0 0 "[ . 1]" 1
1212 1 88 ALA MB 1 89 GLU H . . 3.050 2.764 2.528 2.995 . 0 0 "[ . 1]" 1
1213 1 88 ALA MB 1 89 GLU QG . . 4.220 4.141 3.838 4.282 0.062 6 0 "[ . 1]" 1
1214 1 89 GLU H 1 89 GLU QB . . 3.230 2.929 2.826 3.115 . 0 0 "[ . 1]" 1
1215 1 89 GLU H 1 89 GLU QG . . 3.160 1.943 1.783 2.125 . 0 0 "[ . 1]" 1
1216 1 89 GLU HA 1 90 LEU H . . 2.920 2.110 2.062 2.190 . 0 0 "[ . 1]" 1
1217 1 89 GLU QB 1 90 LEU H . . 3.390 3.360 2.908 3.483 0.093 8 0 "[ . 1]" 1
1218 1 89 GLU QB 1 91 ILE MD . . 4.790 4.231 3.726 5.337 0.547 5 1 "[ + 1]" 1
1219 1 89 GLU QG 1 90 LEU H . . 4.320 4.352 4.180 4.427 0.107 10 0 "[ . 1]" 1
1220 1 89 GLU QG 1 91 ILE MD . . 4.300 3.900 3.342 4.326 0.026 8 0 "[ . 1]" 1
1221 1 89 GLU QG 1 91 ILE HG13 . . 4.320 3.866 3.228 4.251 . 0 0 "[ . 1]" 1
1222 1 90 LEU H 1 90 LEU QB . . 3.530 2.317 2.277 2.366 . 0 0 "[ . 1]" 1
1223 1 90 LEU H 1 90 LEU QD . . 4.590 3.812 3.797 3.837 . 0 0 "[ . 1]" 1
1224 1 90 LEU H 1 90 LEU HG . . 4.680 4.422 4.355 4.482 . 0 0 "[ . 1]" 1
1225 1 90 LEU H 1 91 ILE H . . 4.470 4.399 4.284 4.486 0.016 7 0 "[ . 1]" 1
1226 1 90 LEU HA 1 90 LEU QD . . 3.150 2.097 2.034 2.147 . 0 0 "[ . 1]" 1
1227 1 90 LEU HA 1 91 ILE H . . 3.290 2.159 2.134 2.179 . 0 0 "[ . 1]" 1
1228 1 90 LEU HA 1 91 ILE MD . . 5.500 5.023 4.767 5.161 . 0 0 "[ . 1]" 1
1229 1 90 LEU QB 1 91 ILE H . . 4.700 3.759 3.654 3.903 . 0 0 "[ . 1]" 1
1230 1 90 LEU QB 1 92 VAL QG . . 4.950 3.763 3.279 4.678 . 0 0 "[ . 1]" 1
1231 1 90 LEU QD 1 91 ILE H . . 3.220 2.559 2.062 3.034 . 0 0 "[ . 1]" 1
1232 1 90 LEU HG 1 91 ILE H . . 4.120 3.086 2.815 3.455 . 0 0 "[ . 1]" 1
1233 1 90 LEU HG 1 92 VAL H . . 5.490 4.144 3.787 4.822 . 0 0 "[ . 1]" 1
1234 1 90 LEU HG 1 92 VAL QG . . 3.760 2.554 2.197 4.016 0.256 6 0 "[ . 1]" 1
1235 1 91 ILE H 1 91 ILE HB . . 3.280 2.671 2.557 2.773 . 0 0 "[ . 1]" 1
1236 1 91 ILE H 1 91 ILE MD . . 4.280 3.870 3.626 4.150 . 0 0 "[ . 1]" 1
1237 1 91 ILE H 1 91 ILE HG12 . . 4.380 3.744 3.463 4.038 . 0 0 "[ . 1]" 1
1238 1 91 ILE H 1 91 ILE HG13 . . 4.140 2.554 2.162 2.949 . 0 0 "[ . 1]" 1
1239 1 91 ILE H 1 91 ILE MG . . 4.310 3.852 3.808 3.899 . 0 0 "[ . 1]" 1
1240 1 91 ILE H 1 92 VAL H . . 4.590 4.275 4.179 4.464 . 0 0 "[ . 1]" 1
1241 1 91 ILE HA 1 91 ILE MD . . 4.000 3.873 3.830 3.956 . 0 0 "[ . 1]" 1
1242 1 91 ILE HA 1 91 ILE MG . . 3.370 2.347 2.253 2.399 . 0 0 "[ . 1]" 1
1243 1 91 ILE HA 1 92 VAL H . . 2.700 2.146 2.122 2.196 . 0 0 "[ . 1]" 1
1244 1 91 ILE HB 1 91 ILE MD . . 3.410 2.415 2.385 2.430 . 0 0 "[ . 1]" 1
1245 1 91 ILE HG12 1 91 ILE MG . . 3.750 2.363 2.307 2.383 . 0 0 "[ . 1]" 1
1246 1 91 ILE HG12 1 92 VAL H . . 4.460 4.603 4.389 4.801 0.341 5 0 "[ . 1]" 1
1247 1 91 ILE HG13 1 92 VAL H . . 5.220 5.111 5.045 5.167 . 0 0 "[ . 1]" 1
1248 1 91 ILE MG 1 92 VAL H . . 3.170 2.878 2.517 3.040 . 0 0 "[ . 1]" 1
1249 1 91 ILE MG 1 93 GLN QB . . 4.570 4.175 3.167 5.468 0.898 5 1 "[ + 1]" 1
1250 1 91 ILE MG 1 93 GLN QG . . 3.630 2.907 2.170 4.548 0.918 6 1 "[ .+ 1]" 1
1251 1 92 VAL H 1 92 VAL HB . . 3.310 2.661 2.598 2.835 . 0 0 "[ . 1]" 1
1252 1 92 VAL H 1 92 VAL QG . . 3.380 2.464 2.326 2.775 . 0 0 "[ . 1]" 1
1253 1 92 VAL H 1 93 GLN H . . 4.560 4.239 4.117 4.414 . 0 0 "[ . 1]" 1
1254 1 92 VAL HA 1 92 VAL QG . . 3.330 2.141 2.129 2.199 . 0 0 "[ . 1]" 1
1255 1 92 VAL HA 1 93 GLN H . . 2.680 2.156 2.138 2.199 . 0 0 "[ . 1]" 1
1256 1 92 VAL HB 1 93 GLN H . . 4.340 4.302 4.193 4.361 0.021 8 0 "[ . 1]" 1
1257 1 92 VAL QG 1 93 GLN H . . 3.310 2.926 2.541 3.129 . 0 0 "[ . 1]" 1
1258 1 92 VAL QG 1 94 GLU H . . 5.500 4.631 4.149 4.954 . 0 0 "[ . 1]" 1
1259 1 93 GLN H 1 93 GLN QB . . 3.140 2.494 2.317 3.011 . 0 0 "[ . 1]" 1
1260 1 93 GLN H 1 93 GLN QG . . 3.520 2.557 2.117 2.790 . 0 0 "[ . 1]" 1
1261 1 93 GLN H 1 94 GLU H . . 5.300 4.528 4.468 4.577 . 0 0 "[ . 1]" 1
1262 1 93 GLN H 1 94 GLU HA . . 5.230 5.274 5.125 5.385 0.155 8 0 "[ . 1]" 1
1263 1 93 GLN HA 1 94 GLU H . . 2.540 2.217 2.158 2.304 . 0 0 "[ . 1]" 1
1264 1 93 GLN HA 1 94 GLU HA . . 4.560 4.316 4.180 4.398 . 0 0 "[ . 1]" 1
1265 1 93 GLN QB 1 93 GLN QE . . 3.840 2.924 1.791 3.712 . 0 0 "[ . 1]" 1
1266 1 93 GLN HE22 1 93 GLN QG . . 3.790 3.297 3.214 3.487 . 0 0 "[ . 1]" 1
1267 1 93 GLN QG 1 94 GLU H . . 4.310 3.934 3.632 4.443 0.133 3 0 "[ . 1]" 1
1268 1 94 GLU H 1 94 GLU QB . . 2.890 2.450 2.241 2.769 . 0 0 "[ . 1]" 1
1269 1 94 GLU H 1 94 GLU HG2 . . 4.470 3.516 2.185 4.500 0.030 3 0 "[ . 1]" 1
1270 1 94 GLU H 1 94 GLU QG . . 3.930 2.858 2.116 3.964 0.034 9 0 "[ . 1]" 1
1271 1 94 GLU H 1 94 GLU HG3 . . 4.470 3.313 2.264 4.552 0.082 2 0 "[ . 1]" 1
1272 1 94 GLU HA 1 95 LYS H . . 2.620 2.265 2.182 2.360 . 0 0 "[ . 1]" 1
1273 1 94 GLU QB 1 95 LYS H . . 3.210 2.958 2.429 3.681 0.471 2 0 "[ . 1]" 1
1274 1 94 GLU QG 1 95 LYS H . . 4.040 3.519 1.847 4.376 0.336 6 0 "[ . 1]" 1
1275 1 95 LYS H 1 95 LYS QB . . 3.290 2.619 2.415 2.992 . 0 0 "[ . 1]" 1
1276 1 95 LYS H 1 95 LYS QG . . 3.580 2.754 2.114 3.242 . 0 0 "[ . 1]" 1
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