NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562431 |
2lra   |
18355 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lra
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 1032
_Distance_constraint_stats_list.Viol_count 1864
_Distance_constraint_stats_list.Viol_total 8908.697
_Distance_constraint_stats_list.Viol_max 2.087
_Distance_constraint_stats_list.Viol_rms 0.2608
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0863
_Distance_constraint_stats_list.Viol_average_violations_only 0.4779
_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 2 ALA 0.000 0.000 . 0 "[ . 1]"
1 3 MET 16.541 1.521 1 7 "[+** . ****]"
1 4 ALA 8.672 0.838 3 5 "[**+-. * 1]"
1 5 PHE 67.734 1.521 1 10 [+****-****]
1 6 ASP 2.618 0.701 4 1 "[ +. 1]"
1 7 GLY 4.185 0.701 4 2 "[ +. - 1]"
1 8 GLU 2.390 0.515 8 1 "[ . + 1]"
1 9 ASP 2.394 0.362 8 0 "[ . 1]"
1 10 GLU 2.459 0.475 6 0 "[ . 1]"
1 11 VAL 9.395 1.556 4 2 "[ -+. 1]"
1 12 THR 9.254 1.556 4 2 "[ -+. 1]"
1 13 GLY 4.142 0.379 3 0 "[ . 1]"
1 14 PRO 8.756 0.939 3 3 "[ -+ . *]"
1 15 ASP 67.826 2.062 6 10 [*****+****]
1 16 ALA 12.671 1.152 5 7 "[* **+ ***1]"
1 17 ASP 6.142 0.600 10 2 "[ - . +]"
1 18 ARG 35.928 1.509 9 10 [****-***+*]
1 19 ALA 19.798 1.779 8 7 "[-** .**+*1]"
1 20 ARG 82.162 1.813 2 10 [*+****-***]
1 21 ALA 5.047 0.615 8 2 "[ - . + 1]"
1 22 ALA 6.789 1.313 4 6 "[ +- ****]"
1 23 ALA 20.085 1.012 10 8 "[ *****-*+]"
1 24 VAL 67.471 1.930 5 10 [*-**+*****]
1 25 GLN 15.197 1.313 4 8 "[** +- ****]"
1 26 ALA 5.358 0.959 1 3 "[+ - *]"
1 27 VAL 42.465 2.084 9 10 [*-******+*]
1 28 PRO 19.142 1.889 5 9 "[*-**+*** *]"
1 29 GLY 6.819 1.030 2 7 "[*+ -* ** *]"
1 30 GLY 21.463 1.653 6 10 [*****+***-]
1 31 THR 26.152 1.891 2 9 "[*+****- **]"
1 32 ALA 32.722 1.709 8 10 [*******+*-]
1 33 GLY 18.107 1.813 2 9 "[*+*****- *]"
1 34 GLU 3.261 1.152 5 2 "[ + -1]"
1 35 VAL 7.119 0.667 10 3 "[ *. - +]"
1 36 GLU 9.596 1.083 10 8 "[ ** *-***+]"
1 37 THR 34.979 1.506 8 10 [*******+*-]
1 38 GLU 38.148 1.671 9 10 [********+*]
1 39 THR 0.944 0.243 4 0 "[ . 1]"
1 40 GLY 1.120 0.624 2 1 "[ + . 1]"
1 41 GLU 0.042 0.042 2 0 "[ . 1]"
1 42 GLY 0.319 0.132 7 0 "[ . 1]"
1 43 ALA 13.152 2.035 4 10 [***+**-***]
1 44 ALA 47.865 1.561 7 10 [*****-+***]
1 45 ALA 16.475 1.671 9 8 "[*** *** +-]"
1 46 TYR 73.369 1.506 8 10 [*-*****+**]
1 47 GLY 5.149 0.896 2 2 "[ + . -]"
1 48 VAL 30.773 1.276 7 10 [****-*+***]
1 49 LEU 96.814 1.609 1 10 [+********-]
1 50 VAL 67.607 1.930 5 10 [**-*+*****]
1 51 THR 22.412 1.442 8 10 [*******+**]
1 52 ARG 49.983 2.084 9 10 [***-****+*]
1 53 PRO 4.265 0.785 8 5 "[*-**. + 1]"
1 54 ASP 12.923 1.228 9 9 "[** ****-+*]"
1 55 GLY 3.514 1.442 8 1 "[ . + 1]"
1 56 THR 29.008 2.078 2 10 [*+*-******]
1 57 ARG 62.916 2.087 6 10 [***-*+****]
1 58 VAL 12.881 1.889 2 7 "[ +*-.* ***]"
1 59 GLU 7.852 1.349 2 5 "[ +* . ***]"
1 60 VAL 35.156 1.276 7 10 [****-*+***]
1 61 HIS 42.595 1.473 8 10 [-******+**]
1 62 LEU 66.542 1.996 8 10 [*-*****+**]
1 63 ASP 15.630 1.162 8 9 "[* -****+**]"
1 64 ARG 14.950 0.872 4 5 "[* *+.* - 1]"
1 65 ASP 6.536 0.967 8 4 "[* **. + 1]"
1 66 PHE 116.937 2.062 6 10 [****-+****]
1 67 ARG 12.808 1.291 4 4 "[ *+.* - 1]"
1 68 VAL 23.181 1.291 4 6 "[ *-+.* **1]"
1 69 LEU 37.394 2.035 4 10 [-**+******]
1 70 ASP 23.397 1.213 3 10 [**+*******]
1 71 THR 1.074 0.389 1 0 "[ . 1]"
1 72 GLU 3.914 0.967 2 3 "[ + .* -1]"
1 73 PRO 5.533 0.967 2 3 "[ + .* -1]"
1 74 ALA 35.042 2.087 6 8 "[****.+ **-]"
1 75 ASP 0.000 0.000 . 0 "[ . 1]"
1 76 GLY 0.000 0.000 . 0 "[ . 1]"
1 77 ASP 0.000 0.000 . 0 "[ . 1]"
1 78 GLY 0.000 0.000 . 0 "[ . 1]"
1 79 GLY 0.552 0.178 6 0 "[ . 1]"
1 80 LEU 0.832 0.178 6 0 "[ . 1]"
1 81 GLU 0.000 0.000 . 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 2 ALA MB 1 3 MET H . . 4.250 3.157 2.276 3.611 . 0 0 "[ . 1]" 1
2 1 3 MET H 1 3 MET QB . . 3.570 2.399 2.244 2.681 . 0 0 "[ . 1]" 1
3 1 3 MET HA 1 4 ALA H . . 3.450 2.231 2.127 2.403 . 0 0 "[ . 1]" 1
4 1 3 MET HA 1 5 PHE QD . . 4.000 4.368 3.743 4.847 0.847 2 4 "[-+ . * *]" 1
5 1 3 MET HA 1 5 PHE QE . . 3.860 4.569 3.673 5.381 1.521 1 6 "[+-* . * **]" 1
6 1 3 MET QG 1 4 ALA H . . 3.820 3.890 2.758 4.477 0.657 8 1 "[ . + 1]" 1
7 1 3 MET QG 1 5 PHE QB . . 5.500 4.942 2.744 5.645 0.145 5 0 "[ . 1]" 1
8 1 3 MET QG 1 5 PHE QE . . 4.150 2.908 2.498 3.541 . 0 0 "[ . 1]" 1
9 1 3 MET QG 1 5 PHE H . . 5.500 5.176 3.005 5.883 0.383 4 0 "[ . 1]" 1
10 1 3 MET QG 1 5 PHE HZ . . 4.990 4.857 4.212 5.457 0.467 6 0 "[ . 1]" 1
11 1 3 MET QB 1 3 MET QG . . 2.310 2.003 1.996 2.010 . 0 0 "[ . 1]" 1
12 1 3 MET QB 1 4 ALA H . . 4.410 3.091 2.412 3.668 . 0 0 "[ . 1]" 1
13 1 3 MET QB 1 4 ALA MB . . 4.650 4.490 4.005 4.910 0.260 1 0 "[ . 1]" 1
14 1 3 MET QB 1 5 PHE H . . 4.520 3.748 3.394 4.175 . 0 0 "[ . 1]" 1
15 1 3 MET QB 1 5 PHE QB . . 4.500 3.746 3.170 4.019 . 0 0 "[ . 1]" 1
16 1 3 MET QB 1 5 PHE QE . . 4.640 2.527 1.816 4.684 0.044 1 0 "[ . 1]" 1
17 1 4 ALA H 1 4 ALA MB . . 2.580 2.273 2.255 2.298 . 0 0 "[ . 1]" 1
18 1 4 ALA H 1 5 PHE QD . . 5.500 4.178 3.541 4.915 . 0 0 "[ . 1]" 1
19 1 4 ALA H 1 5 PHE QE . . 5.500 4.569 3.935 5.280 . 0 0 "[ . 1]" 1
20 1 4 ALA H 1 5 PHE HZ . . 5.500 6.017 5.692 6.338 0.838 3 5 "[**+-. * 1]" 1
21 1 4 ALA HA 1 5 PHE H . . 2.820 2.407 2.249 2.487 . 0 0 "[ . 1]" 1
22 1 4 ALA HA 1 6 ASP H . . 5.500 4.226 3.531 5.348 . 0 0 "[ . 1]" 1
23 1 4 ALA MB 1 5 PHE H . . 3.580 3.678 3.591 3.709 0.129 3 0 "[ . 1]" 1
24 1 4 ALA MB 1 5 PHE QB . . 5.500 5.034 4.894 5.148 . 0 0 "[ . 1]" 1
25 1 4 ALA MB 1 6 ASP H . . 5.500 4.239 3.548 5.000 . 0 0 "[ . 1]" 1
26 1 5 PHE H 1 5 PHE QD . . 5.500 3.232 2.875 3.519 . 0 0 "[ . 1]" 1
27 1 5 PHE H 1 5 PHE QE . . 5.500 5.129 4.908 5.400 . 0 0 "[ . 1]" 1
28 1 5 PHE H 1 66 PHE QD . . 5.500 5.602 5.234 6.042 0.542 1 2 "[+ .- 1]" 1
29 1 5 PHE H 1 66 PHE QE . . 5.500 5.896 5.450 6.355 0.855 1 3 "[+ .* -]" 1
30 1 5 PHE HA 1 5 PHE QE . . 5.500 4.533 4.431 4.606 . 0 0 "[ . 1]" 1
31 1 5 PHE HA 1 66 PHE QD . . 5.500 4.957 4.363 5.504 0.004 9 0 "[ . 1]" 1
32 1 5 PHE HA 1 66 PHE QE . . 5.500 4.314 3.638 4.699 . 0 0 "[ . 1]" 1
33 1 5 PHE HA 1 6 ASP HB2 . . 5.500 4.860 4.672 5.091 . 0 0 "[ . 1]" 1
34 1 5 PHE HA 1 6 ASP HB3 . . 5.500 5.063 4.700 5.294 . 0 0 "[ . 1]" 1
35 1 5 PHE HA 1 6 ASP QB . . 4.770 4.410 4.209 4.605 . 0 0 "[ . 1]" 1
36 1 5 PHE QB 1 66 PHE QD . . 5.500 5.256 5.023 5.607 0.107 8 0 "[ . 1]" 1
37 1 5 PHE QB 1 66 PHE QE . . 4.680 5.326 4.843 5.560 0.880 2 9 "[-+* ******]" 1
38 1 5 PHE QB 1 6 ASP H . . 4.510 3.763 3.374 3.903 . 0 0 "[ . 1]" 1
39 1 5 PHE QB 1 6 ASP QB . . 4.370 4.184 3.650 4.752 0.382 1 0 "[ . 1]" 1
40 1 5 PHE QD 1 15 ASP QB . . 4.920 5.849 4.170 6.423 1.503 7 8 "[*-****+ *1]" 1
41 1 5 PHE QD 1 18 ARG QB . . 5.240 4.430 3.532 5.470 0.230 5 0 "[ . 1]" 1
42 1 5 PHE QD 1 46 TYR QE . . 4.820 5.206 4.317 6.040 1.220 10 5 "[* *. * -+]" 1
43 1 5 PHE QD 1 66 PHE HZ . . 5.500 5.698 5.267 6.306 0.806 5 2 "[ - + 1]" 1
44 1 5 PHE QE 1 65 ASP HA . . 4.430 3.177 2.637 3.802 . 0 0 "[ . 1]" 1
45 1 5 PHE QE 1 65 ASP QB . . 4.690 4.281 3.405 5.657 0.967 8 1 "[ . + 1]" 1
46 1 5 PHE QE 1 66 PHE H . . 3.910 4.655 4.182 5.223 1.313 10 6 "[* *.-** +]" 1
47 1 5 PHE QE 1 66 PHE HA . . 5.500 5.363 4.643 5.950 0.450 1 0 "[ . 1]" 1
48 1 5 PHE QE 1 66 PHE HB2 . . 3.080 3.381 2.278 3.974 0.894 1 4 "[+ *. - *]" 1
49 1 5 PHE QE 1 66 PHE HB3 . . 4.690 4.864 3.806 5.510 0.820 1 2 "[+ . -]" 1
50 1 6 ASP H 1 6 ASP QB . . 3.670 2.816 2.553 3.035 . 0 0 "[ . 1]" 1
51 1 6 ASP H 1 7 GLY H . . 3.610 3.390 2.244 4.311 0.701 4 1 "[ +. 1]" 1
52 1 6 ASP H 1 7 GLY HA2 . . 5.500 4.553 3.959 5.422 . 0 0 "[ . 1]" 1
53 1 6 ASP H 1 7 GLY HA3 . . 5.500 4.662 3.872 5.276 . 0 0 "[ . 1]" 1
54 1 6 ASP HA 1 6 ASP QB . . 2.610 2.380 2.325 2.459 . 0 0 "[ . 1]" 1
55 1 6 ASP HA 1 7 GLY H . . 3.480 2.683 2.123 3.569 0.089 1 0 "[ . 1]" 1
56 1 6 ASP HB2 1 7 GLY H . . 5.500 4.021 3.446 4.552 . 0 0 "[ . 1]" 1
57 1 6 ASP HB3 1 7 GLY H . . 5.500 3.398 1.882 4.484 . 0 0 "[ . 1]" 1
58 1 7 GLY H 1 18 ARG QB . . 5.500 4.589 3.330 5.282 . 0 0 "[ . 1]" 1
59 1 7 GLY HA2 1 8 GLU H . . 3.030 2.821 2.152 3.545 0.515 8 1 "[ . + 1]" 1
60 1 7 GLY HA3 1 8 GLU H . . 3.030 2.661 2.171 3.529 0.499 1 0 "[ . 1]" 1
61 1 7 GLY QA 1 8 GLU H . . 2.420 2.254 2.112 2.347 . 0 0 "[ . 1]" 1
62 1 8 GLU H 1 8 GLU HG2 . . 5.460 4.093 2.011 4.845 . 0 0 "[ . 1]" 1
63 1 8 GLU H 1 8 GLU HG3 . . 5.460 4.179 3.055 4.670 . 0 0 "[ . 1]" 1
64 1 8 GLU H 1 8 GLU QB . . 3.620 2.470 2.206 2.839 . 0 0 "[ . 1]" 1
65 1 8 GLU H 1 8 GLU QG . . 4.610 3.615 1.985 4.234 . 0 0 "[ . 1]" 1
66 1 8 GLU HA 1 9 ASP H . . 3.000 2.464 2.178 2.807 . 0 0 "[ . 1]" 1
67 1 8 GLU HB2 1 9 ASP H . . 5.040 3.664 2.372 4.202 . 0 0 "[ . 1]" 1
68 1 8 GLU HB3 1 9 ASP H . . 5.040 3.098 2.085 4.021 . 0 0 "[ . 1]" 1
69 1 8 GLU HG2 1 9 ASP H . . 5.500 3.243 1.380 4.713 . 0 0 "[ . 1]" 1
70 1 8 GLU HG3 1 9 ASP H . . 5.500 3.212 2.304 4.931 . 0 0 "[ . 1]" 1
71 1 8 GLU QB 1 9 ASP H . . 4.370 2.822 2.064 3.657 . 0 0 "[ . 1]" 1
72 1 9 ASP H 1 10 GLU H . . 4.130 2.493 2.186 2.778 . 0 0 "[ . 1]" 1
73 1 9 ASP H 1 9 ASP QB . . 3.350 2.329 2.227 2.457 . 0 0 "[ . 1]" 1
74 1 9 ASP HA 1 10 GLU H . . 3.270 3.308 3.203 3.370 0.100 9 0 "[ . 1]" 1
75 1 9 ASP QB 1 10 GLU H . . 4.170 3.320 3.180 3.497 . 0 0 "[ . 1]" 1
76 1 9 ASP QB 1 11 VAL H . . 5.120 4.879 4.606 5.243 0.123 7 0 "[ . 1]" 1
77 1 9 ASP QB 1 11 VAL QG . . 4.590 4.699 4.279 4.952 0.362 8 0 "[ . 1]" 1
78 1 10 GLU H 1 10 GLU HB2 . . 3.760 2.738 2.362 3.659 . 0 0 "[ . 1]" 1
79 1 10 GLU H 1 10 GLU HB3 . . 3.760 3.452 2.542 3.733 . 0 0 "[ . 1]" 1
80 1 10 GLU H 1 10 GLU QG . . 2.840 2.468 1.972 3.144 0.304 5 0 "[ . 1]" 1
81 1 10 GLU HA 1 10 GLU HG2 . . 4.170 3.025 2.356 3.761 . 0 0 "[ . 1]" 1
82 1 10 GLU HA 1 10 GLU HG3 . . 4.170 3.419 2.524 3.849 . 0 0 "[ . 1]" 1
83 1 10 GLU HA 1 10 GLU QG . . 3.480 2.751 2.289 3.336 . 0 0 "[ . 1]" 1
84 1 10 GLU HA 1 11 VAL H . . 2.930 2.761 2.194 3.405 0.475 6 0 "[ . 1]" 1
85 1 10 GLU HA 1 11 VAL QG . . 4.800 3.992 3.618 4.335 . 0 0 "[ . 1]" 1
86 1 10 GLU QB 1 10 GLU QG . . 2.280 2.047 1.981 2.087 . 0 0 "[ . 1]" 1
87 1 10 GLU QB 1 11 VAL QG . . 4.730 4.066 3.162 4.589 . 0 0 "[ . 1]" 1
88 1 10 GLU QG 1 11 VAL H . . 4.750 4.237 2.700 4.856 0.106 7 0 "[ . 1]" 1
89 1 11 VAL H 1 11 VAL QG . . 3.460 2.027 1.772 2.292 . 0 0 "[ . 1]" 1
90 1 11 VAL HA 1 11 VAL QG . . 3.200 2.216 2.124 2.314 . 0 0 "[ . 1]" 1
91 1 11 VAL HA 1 12 THR H . . 2.670 2.321 2.170 2.502 . 0 0 "[ . 1]" 1
92 1 11 VAL HA 1 12 THR MG . . 3.880 4.181 3.590 5.436 1.556 4 2 "[ -+. 1]" 1
93 1 11 VAL HB 1 12 THR H . . 4.120 3.381 2.173 4.464 0.344 2 0 "[ . 1]" 1
94 1 11 VAL QG 1 12 THR H . . 3.230 3.301 3.032 3.695 0.465 5 0 "[ . 1]" 1
95 1 12 THR H 1 12 THR HB . . 3.730 3.068 2.584 3.625 . 0 0 "[ . 1]" 1
96 1 12 THR H 1 12 THR MG . . 3.520 2.581 1.803 3.817 0.297 4 0 "[ . 1]" 1
97 1 12 THR H 1 13 GLY H . . 5.500 2.616 2.025 4.399 . 0 0 "[ . 1]" 1
98 1 12 THR HA 1 12 THR HB . . 2.510 2.595 2.404 3.029 0.519 4 2 "[ -+. 1]" 1
99 1 12 THR HA 1 12 THR MG . . 3.240 2.755 2.235 3.225 . 0 0 "[ . 1]" 1
100 1 12 THR HA 1 13 GLY H . . 3.170 3.128 2.170 3.522 0.352 4 0 "[ . 1]" 1
101 1 12 THR HB 1 13 GLY H . . 5.140 4.026 2.733 4.327 . 0 0 "[ . 1]" 1
102 1 12 THR MG 1 13 GLY H . . 4.270 3.452 2.439 4.319 0.049 6 0 "[ . 1]" 1
103 1 13 GLY H 1 14 PRO HD2 . . 5.020 4.810 4.135 5.289 0.269 9 0 "[ . 1]" 1
104 1 13 GLY H 1 14 PRO HD3 . . 5.020 4.407 2.647 5.085 0.065 8 0 "[ . 1]" 1
105 1 13 GLY H 1 16 ALA MB . . 5.300 3.990 3.028 5.404 0.104 8 0 "[ . 1]" 1
106 1 13 GLY HA2 1 14 PRO HD2 . . 3.000 2.498 1.902 3.376 0.376 9 0 "[ . 1]" 1
107 1 13 GLY HA2 1 14 PRO HD3 . . 3.000 2.333 1.892 2.953 . 0 0 "[ . 1]" 1
108 1 13 GLY HA2 1 14 PRO QG . . 4.790 3.922 3.760 4.642 . 0 0 "[ . 1]" 1
109 1 13 GLY HA2 1 14 PRO QD . . 2.400 2.039 1.855 2.741 0.341 8 0 "[ . 1]" 1
110 1 13 GLY HA3 1 14 PRO QD . . 3.000 2.879 1.974 3.379 0.379 3 0 "[ . 1]" 1
111 1 13 GLY HA3 1 16 ALA MB . . 4.610 2.358 1.588 3.810 . 0 0 "[ . 1]" 1
112 1 14 PRO HA 1 15 ASP H . . 3.480 3.489 2.993 3.577 0.097 10 0 "[ . 1]" 1
113 1 14 PRO HA 1 16 ALA H . . 5.500 4.383 3.610 4.980 . 0 0 "[ . 1]" 1
114 1 14 PRO HA 1 16 ALA MB . . 5.400 4.970 3.942 5.573 0.173 7 0 "[ . 1]" 1
115 1 14 PRO HA 1 17 ASP H . . 5.500 4.445 3.133 5.805 0.305 8 0 "[ . 1]" 1
116 1 14 PRO HD2 1 15 ASP H . . 4.570 3.146 2.497 4.817 0.247 8 0 "[ . 1]" 1
117 1 14 PRO HD3 1 15 ASP H . . 4.570 4.186 3.987 5.049 0.479 8 0 "[ . 1]" 1
118 1 14 PRO QG 1 16 ALA H . . 4.550 4.091 2.485 5.489 0.939 3 1 "[ + . 1]" 1
119 1 14 PRO QG 1 17 ASP H . . 5.360 5.643 5.016 5.960 0.600 10 2 "[ - . +]" 1
120 1 14 PRO QD 1 15 ASP H . . 3.990 3.040 2.473 4.387 0.397 8 0 "[ . 1]" 1
121 1 15 ASP H 1 15 ASP QB . . 3.390 2.564 2.247 2.838 . 0 0 "[ . 1]" 1
122 1 15 ASP H 1 16 ALA H . . 3.350 2.390 2.140 2.813 . 0 0 "[ . 1]" 1
123 1 15 ASP H 1 17 ASP H . . 4.790 4.358 3.965 4.966 0.176 8 0 "[ . 1]" 1
124 1 15 ASP H 1 18 ARG QG . . 4.950 4.808 4.118 5.786 0.836 5 2 "[ + -]" 1
125 1 15 ASP H 1 36 GLU HA . . 5.500 6.119 5.513 6.583 1.083 10 7 "[ * *-***+]" 1
126 1 15 ASP H 1 37 THR H . . 5.160 6.086 5.780 6.586 1.426 3 10 [*-+*******] 1
127 1 15 ASP HA 1 16 ALA H . . 3.430 3.398 3.134 3.505 0.075 7 0 "[ . 1]" 1
128 1 15 ASP HA 1 16 ALA HA . . 5.330 4.850 4.754 4.907 . 0 0 "[ . 1]" 1
129 1 15 ASP HA 1 17 ASP H . . 5.500 4.062 3.355 4.468 . 0 0 "[ . 1]" 1
130 1 15 ASP HA 1 18 ARG H . . 3.330 3.543 3.039 3.941 0.611 10 2 "[ -. +]" 1
131 1 15 ASP HA 1 18 ARG HA . . 5.500 5.786 5.063 6.511 1.011 10 3 "[ -* +]" 1
132 1 15 ASP HA 1 18 ARG QB . . 4.630 3.933 2.866 5.053 0.423 10 0 "[ . 1]" 1
133 1 15 ASP HA 1 18 ARG QD . . 3.470 3.554 1.736 4.979 1.509 9 4 "[*- .* +1]" 1
134 1 15 ASP HA 1 19 ALA H . . 4.700 4.412 3.655 5.521 0.821 8 1 "[ . + 1]" 1
135 1 15 ASP HA 1 19 ALA MB . . 4.550 4.893 4.009 6.329 1.779 8 3 "[ -* . + 1]" 1
136 1 15 ASP QB 1 18 ARG H . . 5.500 4.834 3.645 5.251 . 0 0 "[ . 1]" 1
137 1 15 ASP QB 1 19 ALA MB . . 5.500 4.106 3.361 5.206 . 0 0 "[ . 1]" 1
138 1 15 ASP QB 1 46 TYR QE . . 4.050 2.122 1.596 2.660 . 0 0 "[ . 1]" 1
139 1 15 ASP QB 1 16 ALA H . . 4.430 3.440 2.943 3.750 . 0 0 "[ . 1]" 1
140 1 15 ASP QB 1 18 ARG QB . . 4.760 4.664 3.396 5.802 1.042 5 3 "[ -+ *]" 1
141 1 15 ASP QB 1 18 ARG QG . . 3.820 3.735 2.050 4.771 0.951 7 2 "[ . + -1]" 1
142 1 15 ASP QB 1 19 ALA H . . 5.340 4.643 4.107 5.201 . 0 0 "[ . 1]" 1
143 1 15 ASP QB 1 35 VAL QG . . 4.850 4.006 3.048 4.886 0.036 4 0 "[ . 1]" 1
144 1 15 ASP QB 1 37 THR H . . 5.340 4.790 3.708 6.224 0.884 8 1 "[ . + 1]" 1
145 1 15 ASP QB 1 66 PHE QE . . 3.330 4.451 3.396 5.392 2.062 6 8 "[ ****+*-*1]" 1
146 1 15 ASP QB 1 66 PHE HZ . . 4.610 4.456 2.528 6.512 1.902 2 3 "[ +- .* 1]" 1
147 1 16 ALA H 1 16 ALA MB . . 3.010 2.225 2.216 2.239 . 0 0 "[ . 1]" 1
148 1 16 ALA H 1 17 ASP H . . 3.270 2.754 2.522 2.944 . 0 0 "[ . 1]" 1
149 1 16 ALA H 1 17 ASP QB . . 4.800 4.471 4.305 4.655 . 0 0 "[ . 1]" 1
150 1 16 ALA H 1 18 ARG H . . 4.750 4.458 4.140 4.848 0.098 5 0 "[ . 1]" 1
151 1 16 ALA H 1 18 ARG QG . . 4.780 4.744 4.012 5.302 0.522 5 1 "[ + 1]" 1
152 1 16 ALA H 1 19 ALA MB . . 5.330 5.195 4.663 6.030 0.700 3 2 "[ + . - 1]" 1
153 1 16 ALA H 1 34 GLU QB . . 5.340 5.519 4.966 6.492 1.152 5 2 "[ + -1]" 1
154 1 16 ALA H 1 35 VAL QG . . 4.290 4.080 3.435 4.869 0.579 4 1 "[ +. 1]" 1
155 1 16 ALA HA 1 17 ASP HA . . 4.810 4.790 4.667 4.912 0.102 8 0 "[ . 1]" 1
156 1 16 ALA HA 1 18 ARG H . . 5.500 4.638 4.117 5.041 . 0 0 "[ . 1]" 1
157 1 16 ALA HA 1 19 ALA H . . 3.890 4.026 3.708 4.425 0.535 1 1 "[+ . 1]" 1
158 1 16 ALA HA 1 20 ARG H . . 4.500 4.101 3.705 4.591 0.091 3 0 "[ . 1]" 1
159 1 16 ALA HA 1 20 ARG QB . . 5.450 4.111 3.839 4.292 . 0 0 "[ . 1]" 1
160 1 16 ALA HA 1 35 VAL HB . . 4.320 4.553 4.212 4.960 0.640 4 2 "[ +. - 1]" 1
161 1 16 ALA HA 1 35 VAL QG . . 4.160 1.980 1.233 2.716 . 0 0 "[ . 1]" 1
162 1 16 ALA MB 1 17 ASP H . . 3.360 2.555 2.372 2.795 . 0 0 "[ . 1]" 1
163 1 16 ALA MB 1 17 ASP HA . . 4.350 3.789 3.677 3.947 . 0 0 "[ . 1]" 1
164 1 16 ALA MB 1 17 ASP QB . . 4.360 3.805 3.639 4.001 . 0 0 "[ . 1]" 1
165 1 16 ALA MB 1 18 ARG H . . 5.380 4.664 4.389 4.927 . 0 0 "[ . 1]" 1
166 1 16 ALA MB 1 19 ALA H . . 5.500 5.003 4.772 5.338 . 0 0 "[ . 1]" 1
167 1 16 ALA MB 1 34 GLU QB . . 3.310 2.339 1.838 3.341 0.031 5 0 "[ . 1]" 1
168 1 16 ALA MB 1 35 VAL H . . 4.810 2.389 1.787 2.803 . 0 0 "[ . 1]" 1
169 1 17 ASP H 1 17 ASP QB . . 3.250 2.210 2.103 2.310 . 0 0 "[ . 1]" 1
170 1 17 ASP H 1 18 ARG H . . 3.560 2.739 2.401 2.988 . 0 0 "[ . 1]" 1
171 1 17 ASP H 1 20 ARG H . . 5.300 4.763 4.578 5.066 . 0 0 "[ . 1]" 1
172 1 17 ASP HA 1 18 ARG H . . 3.510 3.545 3.500 3.591 0.081 5 0 "[ . 1]" 1
173 1 17 ASP HA 1 18 ARG HA . . 5.170 4.737 4.625 4.895 . 0 0 "[ . 1]" 1
174 1 17 ASP HA 1 19 ALA H . . 5.150 4.639 4.396 5.001 . 0 0 "[ . 1]" 1
175 1 17 ASP HA 1 20 ARG H . . 4.040 3.762 3.141 4.022 . 0 0 "[ . 1]" 1
176 1 17 ASP HA 1 20 ARG QB . . 3.170 2.818 1.881 3.511 0.341 10 0 "[ . 1]" 1
177 1 17 ASP HA 1 20 ARG QD . . 3.870 3.460 2.335 4.109 0.239 8 0 "[ . 1]" 1
178 1 17 ASP HA 1 21 ALA H . . 4.460 4.098 3.806 4.491 0.031 8 0 "[ . 1]" 1
179 1 17 ASP HA 1 21 ALA MB . . 4.680 4.457 4.148 4.745 0.065 8 0 "[ . 1]" 1
180 1 17 ASP QB 1 18 ARG H . . 2.720 2.571 2.225 2.891 0.171 3 0 "[ . 1]" 1
181 1 17 ASP QB 1 21 ALA H . . 5.480 5.338 5.006 5.762 0.282 8 0 "[ . 1]" 1
182 1 18 ARG H 1 18 ARG QB . . 3.510 2.742 2.551 2.919 . 0 0 "[ . 1]" 1
183 1 18 ARG H 1 18 ARG QG . . 3.460 2.042 1.602 2.546 . 0 0 "[ . 1]" 1
184 1 18 ARG H 1 18 ARG QD . . 2.680 2.455 1.483 3.941 1.261 7 2 "[ . + -1]" 1
185 1 18 ARG H 1 19 ALA H . . 3.080 2.691 2.546 2.852 . 0 0 "[ . 1]" 1
186 1 18 ARG H 1 19 ALA HA . . 5.500 5.291 5.174 5.419 . 0 0 "[ . 1]" 1
187 1 18 ARG H 1 19 ALA MB . . 4.950 4.405 4.245 4.566 . 0 0 "[ . 1]" 1
188 1 18 ARG H 1 20 ARG H . . 4.950 4.049 3.778 4.271 . 0 0 "[ . 1]" 1
189 1 18 ARG HA 1 18 ARG QD . . 3.960 2.913 1.933 3.789 . 0 0 "[ . 1]" 1
190 1 18 ARG HA 1 18 ARG QG . . 3.670 3.213 2.519 3.482 . 0 0 "[ . 1]" 1
191 1 18 ARG HA 1 21 ALA H . . 4.340 3.762 3.184 4.175 . 0 0 "[ . 1]" 1
192 1 18 ARG HA 1 21 ALA MB . . 3.110 3.057 2.267 3.725 0.615 8 2 "[ - . + 1]" 1
193 1 18 ARG HA 1 66 PHE HZ . . 5.500 5.036 4.178 5.998 0.498 10 0 "[ . 1]" 1
194 1 18 ARG QB 1 19 ALA H . . 3.760 2.757 2.237 3.485 . 0 0 "[ . 1]" 1
195 1 18 ARG QB 1 66 PHE QD . . 4.810 4.589 4.053 4.884 0.074 5 0 "[ . 1]" 1
196 1 18 ARG QB 1 66 PHE QE . . 4.350 3.221 2.631 4.131 . 0 0 "[ . 1]" 1
197 1 18 ARG QD 1 66 PHE QE . . 4.380 4.725 3.928 5.394 1.014 9 4 "[-* . *+1]" 1
198 1 18 ARG QG 1 19 ALA HA . . 4.630 5.011 3.730 5.700 1.070 9 7 "[**- .***+1]" 1
199 1 18 ARG QG 1 20 ARG H . . 5.500 5.089 4.618 5.629 0.129 9 0 "[ . 1]" 1
200 1 18 ARG QG 1 19 ALA H . . 3.910 3.130 2.162 3.874 . 0 0 "[ . 1]" 1
201 1 18 ARG QD 1 19 ALA H . . 5.340 4.263 3.369 4.925 . 0 0 "[ . 1]" 1
202 1 19 ALA H 1 19 ALA MB . . 3.120 2.254 2.238 2.282 . 0 0 "[ . 1]" 1
203 1 19 ALA H 1 20 ARG H . . 3.300 2.501 2.359 2.585 . 0 0 "[ . 1]" 1
204 1 19 ALA H 1 21 ALA H . . 4.210 4.073 3.767 4.320 0.110 8 0 "[ . 1]" 1
205 1 19 ALA H 1 21 ALA MB . . 5.500 4.878 4.571 5.199 . 0 0 "[ . 1]" 1
206 1 19 ALA H 1 66 PHE QE . . 4.910 3.915 3.255 4.365 . 0 0 "[ . 1]" 1
207 1 19 ALA HA 1 21 ALA H . . 4.790 4.293 4.051 4.514 . 0 0 "[ . 1]" 1
208 1 19 ALA HA 1 22 ALA H . . 4.030 3.417 3.134 3.635 . 0 0 "[ . 1]" 1
209 1 19 ALA HA 1 66 PHE QE . . 3.290 2.353 1.815 3.203 . 0 0 "[ . 1]" 1
210 1 19 ALA MB 1 20 ARG H . . 2.490 2.674 2.415 2.918 0.428 3 0 "[ . 1]" 1
211 1 19 ALA MB 1 21 ALA H . . 5.280 4.544 4.346 4.652 . 0 0 "[ . 1]" 1
212 1 19 ALA MB 1 22 ALA H . . 4.920 4.524 4.275 4.696 . 0 0 "[ . 1]" 1
213 1 19 ALA MB 1 35 VAL H . . 4.110 4.230 3.866 4.524 0.414 3 0 "[ . 1]" 1
214 1 19 ALA MB 1 35 VAL QG . . 2.550 1.749 1.452 2.215 . 0 0 "[ . 1]" 1
215 1 19 ALA MB 1 47 GLY H . . 4.700 4.702 3.690 5.119 0.419 8 0 "[ . 1]" 1
216 1 19 ALA MB 1 48 VAL HA . . 4.390 3.654 3.207 4.184 . 0 0 "[ . 1]" 1
217 1 19 ALA MB 1 48 VAL QG . . 2.530 1.744 1.475 2.008 . 0 0 "[ . 1]" 1
218 1 19 ALA MB 1 66 PHE QE . . 3.110 2.502 1.438 3.401 0.291 2 0 "[ . 1]" 1
219 1 20 ARG H 1 20 ARG QB . . 2.820 2.218 2.062 2.273 . 0 0 "[ . 1]" 1
220 1 20 ARG H 1 20 ARG QG . . 4.850 3.959 3.895 3.991 . 0 0 "[ . 1]" 1
221 1 20 ARG H 1 20 ARG QD . . 4.590 4.282 3.164 4.634 0.044 4 0 "[ . 1]" 1
222 1 20 ARG H 1 21 ALA H . . 3.310 2.595 2.447 2.737 . 0 0 "[ . 1]" 1
223 1 20 ARG H 1 32 ALA MB . . 5.500 5.699 5.314 6.327 0.827 1 2 "[+- . 1]" 1
224 1 20 ARG H 1 35 VAL QG . . 4.750 3.126 2.707 3.417 . 0 0 "[ . 1]" 1
225 1 20 ARG HA 1 20 ARG HD2 . . 5.350 4.542 4.315 4.915 . 0 0 "[ . 1]" 1
226 1 20 ARG HA 1 20 ARG HD3 . . 5.350 4.528 4.084 4.696 . 0 0 "[ . 1]" 1
227 1 20 ARG HA 1 20 ARG QG . . 3.910 2.537 2.401 3.027 . 0 0 "[ . 1]" 1
228 1 20 ARG HA 1 20 ARG QD . . 4.620 4.020 3.838 4.098 . 0 0 "[ . 1]" 1
229 1 20 ARG HA 1 22 ALA H . . 4.810 4.185 3.953 4.445 . 0 0 "[ . 1]" 1
230 1 20 ARG HA 1 23 ALA H . . 4.220 3.313 3.039 3.672 . 0 0 "[ . 1]" 1
231 1 20 ARG HA 1 23 ALA HA . . 5.440 5.194 4.813 5.857 0.417 4 0 "[ . 1]" 1
232 1 20 ARG HA 1 23 ALA MB . . 2.880 2.599 2.266 3.106 0.226 4 0 "[ . 1]" 1
233 1 20 ARG HA 1 24 VAL H . . 4.530 4.609 4.033 5.117 0.587 5 1 "[ + 1]" 1
234 1 20 ARG HA 1 32 ALA MB . . 3.270 3.422 3.075 4.016 0.746 1 2 "[+- . 1]" 1
235 1 20 ARG HA 1 48 VAL QG . . 3.030 3.091 2.231 3.837 0.807 2 1 "[ + . 1]" 1
236 1 20 ARG HA 1 49 LEU QD . . 5.500 5.599 5.205 5.978 0.478 1 0 "[ . 1]" 1
237 1 20 ARG QB 1 20 ARG HD2 . . 3.920 2.655 2.276 3.284 . 0 0 "[ . 1]" 1
238 1 20 ARG QB 1 20 ARG HD3 . . 3.920 2.341 2.178 2.746 . 0 0 "[ . 1]" 1
239 1 20 ARG QB 1 20 ARG QD . . 3.240 2.147 2.067 2.316 . 0 0 "[ . 1]" 1
240 1 20 ARG QB 1 35 VAL H . . 3.420 3.399 3.089 3.673 0.253 4 0 "[ . 1]" 1
241 1 20 ARG QB 1 48 VAL QG . . 4.650 4.186 2.978 5.033 0.383 2 0 "[ . 1]" 1
242 1 20 ARG QB 1 49 LEU H . . 4.850 6.026 4.537 6.280 1.430 9 9 [******-*+1] 1
243 1 20 ARG QB 1 49 LEU HG . . 4.600 5.933 4.667 6.192 1.592 2 9 [*+****-**1] 1
244 1 20 ARG QB 1 49 LEU QD . . 4.290 5.224 4.561 5.534 1.244 2 9 [*+*****-*1] 1
245 1 20 ARG QB 1 21 ALA H . . 4.490 2.687 2.464 3.281 . 0 0 "[ . 1]" 1
246 1 20 ARG QB 1 32 ALA MB . . 4.220 4.005 2.984 4.696 0.476 2 0 "[ . 1]" 1
247 1 20 ARG HD2 1 32 ALA MB . . 4.570 4.273 3.376 4.994 0.424 2 0 "[ . 1]" 1
248 1 20 ARG HD3 1 32 ALA MB . . 4.570 4.665 4.208 5.550 0.980 2 2 "[-+ . 1]" 1
249 1 20 ARG QG 1 32 ALA MB . . 2.520 2.393 2.033 3.079 0.559 2 1 "[ + . 1]" 1
250 1 20 ARG QG 1 48 VAL QG . . 5.440 4.453 3.626 5.191 . 0 0 "[ . 1]" 1
251 1 20 ARG QG 1 33 GLY H . . 2.850 3.883 3.217 4.663 1.813 2 9 "[*+*****- *]" 1
252 1 20 ARG QG 1 33 GLY QA . . 4.570 3.759 3.347 4.180 . 0 0 "[ . 1]" 1
253 1 20 ARG QG 1 34 GLU H . . 4.620 4.492 4.126 4.795 0.175 3 0 "[ . 1]" 1
254 1 20 ARG QG 1 35 VAL H . . 5.500 4.837 4.276 5.405 . 0 0 "[ . 1]" 1
255 1 20 ARG QG 1 49 LEU H . . 5.500 6.131 5.863 6.303 0.803 3 8 "[**+**-* *1]" 1
256 1 20 ARG QG 1 49 LEU QD . . 4.170 4.918 4.530 5.259 1.089 2 9 "[*+****- **]" 1
257 1 20 ARG QD 1 21 ALA H . . 5.260 4.446 2.386 5.120 . 0 0 "[ . 1]" 1
258 1 20 ARG QD 1 32 ALA MB . . 3.780 3.924 3.245 4.652 0.872 2 2 "[-+ . 1]" 1
259 1 21 ALA H 1 21 ALA MB . . 2.900 2.240 2.231 2.261 . 0 0 "[ . 1]" 1
260 1 21 ALA H 1 22 ALA H . . 2.900 2.618 2.496 2.725 . 0 0 "[ . 1]" 1
261 1 21 ALA H 1 23 ALA H . . 4.480 4.038 3.893 4.235 . 0 0 "[ . 1]" 1
262 1 21 ALA H 1 24 VAL H . . 5.150 5.152 4.913 5.535 0.385 5 0 "[ . 1]" 1
263 1 21 ALA HA 1 23 ALA H . . 4.760 4.282 4.018 4.505 . 0 0 "[ . 1]" 1
264 1 21 ALA HA 1 24 VAL H . . 4.070 3.775 3.510 3.977 . 0 0 "[ . 1]" 1
265 1 21 ALA HA 1 24 VAL HB . . 4.030 4.030 3.335 4.378 0.348 8 0 "[ . 1]" 1
266 1 21 ALA HA 1 24 VAL QG . . 3.370 2.596 2.090 3.287 . 0 0 "[ . 1]" 1
267 1 21 ALA HA 1 25 GLN QE . . 5.500 4.302 3.669 5.636 0.136 1 0 "[ . 1]" 1
268 1 21 ALA MB 1 22 ALA H . . 3.310 2.690 2.554 2.936 . 0 0 "[ . 1]" 1
269 1 21 ALA MB 1 22 ALA HA . . 3.920 3.895 3.812 3.972 0.052 3 0 "[ . 1]" 1
270 1 22 ALA H 1 22 ALA MB . . 3.050 2.257 2.239 2.289 . 0 0 "[ . 1]" 1
271 1 22 ALA H 1 23 ALA H . . 3.210 2.468 2.360 2.654 . 0 0 "[ . 1]" 1
272 1 22 ALA H 1 24 VAL H . . 4.690 4.186 3.966 4.325 . 0 0 "[ . 1]" 1
273 1 22 ALA HA 1 25 GLN QB . . 3.190 3.577 2.310 4.503 1.313 4 6 "[ +- ****]" 1
274 1 22 ALA HA 1 25 GLN QG . . 4.600 4.501 3.526 5.197 0.597 4 1 "[ +. 1]" 1
275 1 22 ALA MB 1 23 ALA H . . 3.360 2.700 2.580 2.846 . 0 0 "[ . 1]" 1
276 1 22 ALA MB 1 23 ALA HA . . 4.450 3.835 3.730 3.892 . 0 0 "[ . 1]" 1
277 1 22 ALA MB 1 24 VAL H . . 5.500 4.540 4.387 4.816 . 0 0 "[ . 1]" 1
278 1 23 ALA H 1 23 ALA MB . . 2.400 2.223 2.194 2.255 . 0 0 "[ . 1]" 1
279 1 23 ALA H 1 24 VAL H . . 3.330 2.695 2.506 2.865 . 0 0 "[ . 1]" 1
280 1 23 ALA H 1 25 GLN H . . 4.220 4.271 3.778 4.568 0.348 4 0 "[ . 1]" 1
281 1 23 ALA H 1 26 ALA H . . 4.910 5.081 4.708 5.397 0.487 10 0 "[ . 1]" 1
282 1 23 ALA H 1 32 ALA MB . . 5.180 4.449 3.989 5.222 0.042 1 0 "[ . 1]" 1
283 1 23 ALA H 1 48 VAL QG . . 4.140 3.303 2.778 3.611 . 0 0 "[ . 1]" 1
284 1 23 ALA H 1 50 VAL QG . . 4.640 4.542 4.217 4.900 0.260 5 0 "[ . 1]" 1
285 1 23 ALA HA 1 24 VAL HA . . 5.080 4.809 4.716 4.865 . 0 0 "[ . 1]" 1
286 1 23 ALA HA 1 25 GLN H . . 4.840 3.946 3.732 4.242 . 0 0 "[ . 1]" 1
287 1 23 ALA HA 1 26 ALA H . . 4.030 3.332 2.985 3.499 . 0 0 "[ . 1]" 1
288 1 23 ALA HA 1 26 ALA MB . . 3.090 2.681 2.050 3.153 0.063 2 0 "[ . 1]" 1
289 1 23 ALA HA 1 27 VAL H . . 5.390 4.712 4.001 5.541 0.151 4 0 "[ . 1]" 1
290 1 23 ALA HA 1 48 VAL QG . . 2.990 3.126 2.110 3.991 1.001 4 3 "[ +. * -]" 1
291 1 23 ALA HA 1 50 VAL HB . . 5.500 5.778 4.693 6.512 1.012 10 5 "[ ** *- +]" 1
292 1 23 ALA HA 1 50 VAL QG . . 3.410 3.019 2.199 3.654 0.244 4 0 "[ . 1]" 1
293 1 23 ALA MB 1 24 VAL H . . 3.760 2.700 2.256 3.041 . 0 0 "[ . 1]" 1
294 1 23 ALA MB 1 24 VAL QG . . 4.040 3.540 3.096 4.150 0.110 7 0 "[ . 1]" 1
295 1 23 ALA MB 1 33 GLY H . . 5.500 4.362 3.552 5.223 . 0 0 "[ . 1]" 1
296 1 23 ALA MB 1 48 VAL H . . 5.500 5.856 4.899 6.253 0.753 8 5 "[ - ** +*1]" 1
297 1 23 ALA MB 1 48 VAL HB . . 4.360 3.968 2.616 4.524 0.164 2 0 "[ . 1]" 1
298 1 23 ALA MB 1 48 VAL QG . . 2.350 1.883 1.691 2.098 . 0 0 "[ . 1]" 1
299 1 23 ALA MB 1 50 VAL QG . . 2.840 1.949 1.715 2.165 . 0 0 "[ . 1]" 1
300 1 23 ALA MB 1 51 THR H . . 5.500 5.366 4.650 6.213 0.713 4 1 "[ +. 1]" 1
301 1 24 VAL H 1 24 VAL HB . . 3.130 2.560 2.469 2.618 . 0 0 "[ . 1]" 1
302 1 24 VAL H 1 24 VAL QG . . 3.030 2.032 1.914 2.204 . 0 0 "[ . 1]" 1
303 1 24 VAL H 1 25 GLN H . . 3.210 2.682 2.592 2.788 . 0 0 "[ . 1]" 1
304 1 24 VAL H 1 26 ALA H . . 4.400 4.020 3.857 4.149 . 0 0 "[ . 1]" 1
305 1 24 VAL H 1 26 ALA MB . . 5.500 4.904 4.583 5.303 . 0 0 "[ . 1]" 1
306 1 24 VAL H 1 27 VAL H . . 4.960 5.183 4.938 5.590 0.630 4 2 "[ - +. 1]" 1
307 1 24 VAL H 1 27 VAL QG . . 4.990 4.266 3.991 4.611 . 0 0 "[ . 1]" 1
308 1 24 VAL H 1 32 ALA MB . . 4.140 3.519 2.853 4.226 0.086 10 0 "[ . 1]" 1
309 1 24 VAL H 1 50 VAL QG . . 5.430 4.583 4.166 5.198 . 0 0 "[ . 1]" 1
310 1 24 VAL HA 1 24 VAL QG . . 2.750 2.190 2.127 2.307 . 0 0 "[ . 1]" 1
311 1 24 VAL HA 1 26 ALA H . . 4.480 3.902 3.706 4.091 . 0 0 "[ . 1]" 1
312 1 24 VAL HA 1 27 VAL H . . 4.750 3.715 3.376 3.996 . 0 0 "[ . 1]" 1
313 1 24 VAL HA 1 27 VAL HB . . 4.240 5.129 4.468 5.676 1.436 6 8 "[* *-*+ ***]" 1
314 1 24 VAL HA 1 27 VAL QG . . 2.840 2.534 2.021 2.996 0.156 6 0 "[ . 1]" 1
315 1 24 VAL HA 1 50 VAL QG . . 2.840 4.277 3.552 4.770 1.930 5 10 [****+*-***] 1
316 1 24 VAL HB 1 25 GLN H . . 5.500 3.349 2.663 4.195 . 0 0 "[ . 1]" 1
317 1 24 VAL HB 1 25 GLN QE . . 5.500 3.826 2.563 5.307 . 0 0 "[ . 1]" 1
318 1 24 VAL QG 1 25 GLN H . . 3.540 3.037 2.483 3.436 . 0 0 "[ . 1]" 1
319 1 24 VAL QG 1 32 ALA H . . 4.100 4.380 3.968 4.872 0.772 1 2 "[+ - 1]" 1
320 1 24 VAL QG 1 32 ALA MB . . 2.940 2.695 2.271 3.487 0.547 5 1 "[ + 1]" 1
321 1 24 VAL QG 1 25 GLN HA . . 3.850 3.409 3.205 3.629 . 0 0 "[ . 1]" 1
322 1 24 VAL QG 1 26 ALA H . . 5.060 4.279 4.053 4.441 . 0 0 "[ . 1]" 1
323 1 24 VAL QG 1 27 VAL QG . . 3.070 3.353 2.899 3.762 0.692 3 3 "[ + .* - 1]" 1
324 1 24 VAL QG 1 30 GLY H . . 4.220 4.501 3.916 5.388 1.168 6 2 "[ .+ -1]" 1
325 1 24 VAL QG 1 30 GLY QA . . 4.310 5.343 4.907 5.963 1.653 6 10 [*****+***-] 1
326 1 24 VAL QG 1 31 THR H . . 5.440 6.375 5.753 6.782 1.342 1 9 "[+*****- **]" 1
327 1 24 VAL QG 1 33 GLY H . . 5.440 6.181 5.653 7.109 1.669 5 6 "[ -* +** *]" 1
328 1 25 GLN H 1 25 GLN QE . . 3.720 2.556 2.004 3.570 . 0 0 "[ . 1]" 1
329 1 25 GLN H 1 25 GLN HG2 . . 4.540 4.139 3.612 4.581 0.041 2 0 "[ . 1]" 1
330 1 25 GLN H 1 25 GLN HG3 . . 4.540 3.754 2.320 4.543 0.003 2 0 "[ . 1]" 1
331 1 25 GLN H 1 25 GLN QB . . 2.390 2.305 2.173 2.408 0.018 9 0 "[ . 1]" 1
332 1 25 GLN H 1 26 ALA H . . 2.740 2.369 2.202 2.582 . 0 0 "[ . 1]" 1
333 1 25 GLN HA 1 25 GLN QE . . 5.500 3.778 2.847 4.433 . 0 0 "[ . 1]" 1
334 1 25 GLN HA 1 25 GLN HG2 . . 3.700 3.524 2.585 3.687 . 0 0 "[ . 1]" 1
335 1 25 GLN HA 1 25 GLN HG3 . . 3.700 2.467 2.319 2.962 . 0 0 "[ . 1]" 1
336 1 25 GLN HA 1 25 GLN QG . . 3.130 2.384 2.292 2.552 . 0 0 "[ . 1]" 1
337 1 25 GLN HA 1 27 VAL H . . 4.420 4.054 3.574 4.428 0.008 1 0 "[ . 1]" 1
338 1 25 GLN HA 1 29 GLY H . . 5.500 6.175 5.696 6.530 1.030 2 7 "[*+ -* ** *]" 1
339 1 25 GLN HB2 1 26 ALA H . . 4.440 3.354 2.989 3.655 . 0 0 "[ . 1]" 1
340 1 25 GLN HB3 1 26 ALA H . . 4.440 3.867 3.160 4.165 . 0 0 "[ . 1]" 1
341 1 25 GLN QB 1 25 GLN QE . . 2.390 1.820 1.702 2.629 0.239 10 0 "[ . 1]" 1
342 1 25 GLN QB 1 25 GLN QG . . 2.310 2.014 1.999 2.083 . 0 0 "[ . 1]" 1
343 1 25 GLN QB 1 26 ALA H . . 3.720 3.131 2.860 3.229 . 0 0 "[ . 1]" 1
344 1 25 GLN QG 1 26 ALA H . . 5.200 4.675 4.238 4.787 . 0 0 "[ . 1]" 1
345 1 26 ALA H 1 26 ALA MB . . 2.970 2.318 2.273 2.383 . 0 0 "[ . 1]" 1
346 1 26 ALA H 1 27 VAL H . . 2.940 2.333 2.149 2.478 . 0 0 "[ . 1]" 1
347 1 26 ALA H 1 50 VAL QG . . 4.010 4.149 3.533 4.969 0.959 1 3 "[+ - *]" 1
348 1 26 ALA MB 1 27 VAL H . . 3.600 3.037 2.698 3.515 . 0 0 "[ . 1]" 1
349 1 26 ALA MB 1 27 VAL HA . . 4.310 4.137 3.908 4.346 0.036 4 0 "[ . 1]" 1
350 1 26 ALA MB 1 27 VAL QG . . 5.500 3.533 3.314 3.923 . 0 0 "[ . 1]" 1
351 1 26 ALA MB 1 50 VAL QG . . 3.360 2.746 1.695 3.695 0.335 1 0 "[ . 1]" 1
352 1 27 VAL H 1 27 VAL HB . . 3.000 3.138 2.775 3.425 0.425 4 0 "[ . 1]" 1
353 1 27 VAL H 1 27 VAL QG . . 3.300 2.190 1.998 2.409 . 0 0 "[ . 1]" 1
354 1 27 VAL H 1 28 PRO HD2 . . 4.840 4.941 4.661 5.316 0.476 6 0 "[ . 1]" 1
355 1 27 VAL H 1 28 PRO HD3 . . 5.180 4.423 4.127 4.811 . 0 0 "[ . 1]" 1
356 1 27 VAL H 1 30 GLY H . . 5.500 5.129 4.976 5.314 . 0 0 "[ . 1]" 1
357 1 27 VAL HA 1 27 VAL HB . . 2.700 2.442 2.422 2.475 . 0 0 "[ . 1]" 1
358 1 27 VAL HA 1 27 VAL QG . . 2.390 2.310 2.284 2.336 . 0 0 "[ . 1]" 1
359 1 27 VAL HA 1 28 PRO QB . . 4.850 4.599 4.545 4.683 . 0 0 "[ . 1]" 1
360 1 27 VAL HA 1 28 PRO HD2 . . 2.470 2.277 2.009 2.718 0.248 5 0 "[ . 1]" 1
361 1 27 VAL HA 1 28 PRO HD3 . . 2.760 2.129 1.750 2.347 . 0 0 "[ . 1]" 1
362 1 27 VAL HA 1 29 GLY H . . 5.500 5.334 4.988 5.534 0.034 8 0 "[ . 1]" 1
363 1 27 VAL HA 1 52 ARG QD . . 3.440 4.578 3.705 5.524 2.084 9 9 "[***** -*+*]" 1
364 1 27 VAL HA 1 52 ARG QG . . 4.650 4.340 3.857 5.238 0.588 2 1 "[ + . 1]" 1
365 1 27 VAL HB 1 30 GLY H . . 4.910 4.833 4.531 5.059 0.149 8 0 "[ . 1]" 1
366 1 27 VAL HB 1 30 GLY QA . . 5.090 4.151 3.876 4.390 . 0 0 "[ . 1]" 1
367 1 27 VAL HB 1 50 VAL QG . . 2.400 2.503 1.975 3.260 0.860 1 3 "[+ -*. 1]" 1
368 1 27 VAL HB 1 51 THR H . . 5.500 5.147 4.173 6.288 0.788 10 1 "[ . +]" 1
369 1 27 VAL QG 1 31 THR HB . . 4.480 4.817 4.492 5.304 0.824 10 1 "[ . +]" 1
370 1 27 VAL QG 1 51 THR HB . . 5.500 4.608 4.176 5.146 . 0 0 "[ . 1]" 1
371 1 27 VAL QG 1 28 PRO HD2 . . 3.890 2.284 2.044 2.473 . 0 0 "[ . 1]" 1
372 1 27 VAL QG 1 30 GLY H . . 2.400 2.147 1.898 2.312 . 0 0 "[ . 1]" 1
373 1 27 VAL QG 1 30 GLY QA . . 3.690 1.808 1.722 1.905 . 0 0 "[ . 1]" 1
374 1 27 VAL QG 1 32 ALA H . . 4.890 4.240 3.709 4.735 . 0 0 "[ . 1]" 1
375 1 27 VAL QG 1 50 VAL HB . . 3.840 3.078 2.219 4.480 0.640 8 2 "[ - + 1]" 1
376 1 27 VAL QG 1 52 ARG H . . 5.340 3.936 3.482 4.243 . 0 0 "[ . 1]" 1
377 1 27 VAL QG 1 52 ARG HA . . 3.120 2.496 2.058 2.868 . 0 0 "[ . 1]" 1
378 1 27 VAL QG 1 52 ARG QD . . 2.710 2.696 1.889 3.955 1.245 9 3 "[ . *+-]" 1
379 1 27 VAL QG 1 52 ARG QG . . 3.020 2.449 1.888 3.423 0.403 2 0 "[ . 1]" 1
380 1 27 VAL QG 1 53 PRO QD . . 3.600 2.795 2.194 3.247 . 0 0 "[ . 1]" 1
381 1 28 PRO HA 1 29 GLY H . . 3.050 2.256 2.198 2.376 . 0 0 "[ . 1]" 1
382 1 28 PRO HA 1 29 GLY QA . . 4.370 3.886 3.877 3.907 . 0 0 "[ . 1]" 1
383 1 28 PRO HA 1 30 GLY H . . 5.500 4.210 3.958 4.405 . 0 0 "[ . 1]" 1
384 1 28 PRO QB 1 53 PRO QD . . 4.660 5.001 4.311 5.445 0.785 8 5 "[*-**. + 1]" 1
385 1 28 PRO HD2 1 52 ARG QB . . 5.500 5.064 4.268 5.708 0.208 2 0 "[ . 1]" 1
386 1 28 PRO QG 1 52 ARG HA . . 4.280 5.522 4.322 6.169 1.889 5 9 "[*-**+*** *]" 1
387 1 29 GLY H 1 30 GLY H . . 3.250 2.669 2.574 2.753 . 0 0 "[ . 1]" 1
388 1 30 GLY H 1 31 THR H . . 4.430 4.416 4.138 4.562 0.132 10 0 "[ . 1]" 1
389 1 30 GLY HA2 1 31 THR H . . 3.470 2.605 2.376 2.947 . 0 0 "[ . 1]" 1
390 1 30 GLY HA3 1 31 THR H . . 3.470 2.506 2.227 2.775 . 0 0 "[ . 1]" 1
391 1 30 GLY QA 1 31 THR H . . 2.980 2.248 2.164 2.282 . 0 0 "[ . 1]" 1
392 1 30 GLY QA 1 50 VAL QG . . 3.900 4.549 3.565 5.114 1.214 3 7 "[**+*.** -1]" 1
393 1 31 THR H 1 31 THR HB . . 3.220 2.628 2.518 3.037 . 0 0 "[ . 1]" 1
394 1 31 THR H 1 31 THR MG . . 4.090 3.618 1.940 3.915 . 0 0 "[ . 1]" 1
395 1 31 THR H 1 32 ALA H . . 4.680 4.345 4.233 4.475 . 0 0 "[ . 1]" 1
396 1 31 THR H 1 50 VAL QG . . 3.690 4.976 4.135 5.581 1.891 2 9 "[*+***** *-]" 1
397 1 31 THR H 1 51 THR H . . 4.210 3.559 3.021 3.924 . 0 0 "[ . 1]" 1
398 1 31 THR H 1 51 THR HB . . 5.500 2.995 2.708 3.325 . 0 0 "[ . 1]" 1
399 1 31 THR HA 1 31 THR MG . . 3.370 2.442 2.315 3.214 . 0 0 "[ . 1]" 1
400 1 31 THR HA 1 32 ALA H . . 2.920 2.150 2.126 2.170 . 0 0 "[ . 1]" 1
401 1 31 THR HB 1 32 ALA H . . 4.390 4.254 4.014 4.389 . 0 0 "[ . 1]" 1
402 1 31 THR HB 1 51 THR H . . 5.500 3.602 2.930 5.721 0.221 6 0 "[ . 1]" 1
403 1 31 THR MG 1 32 ALA H . . 4.240 3.096 2.612 3.968 . 0 0 "[ . 1]" 1
404 1 32 ALA H 1 32 ALA MB . . 3.520 2.360 2.276 2.508 . 0 0 "[ . 1]" 1
405 1 32 ALA H 1 33 GLY H . . 4.710 4.340 4.168 4.509 . 0 0 "[ . 1]" 1
406 1 32 ALA H 1 50 VAL QG . . 5.400 5.123 4.736 5.873 0.473 8 0 "[ . 1]" 1
407 1 32 ALA HA 1 33 GLY H . . 3.060 2.159 2.141 2.187 . 0 0 "[ . 1]" 1
408 1 32 ALA HA 1 49 LEU QD . . 4.980 3.972 3.441 4.755 . 0 0 "[ . 1]" 1
409 1 32 ALA HA 1 50 VAL QG . . 5.400 3.292 2.677 4.283 . 0 0 "[ . 1]" 1
410 1 32 ALA MB 1 33 GLY H . . 3.750 3.213 2.982 3.452 . 0 0 "[ . 1]" 1
411 1 32 ALA MB 1 49 LEU HG . . 4.530 5.563 5.030 6.032 1.502 7 10 [******+**-] 1
412 1 32 ALA MB 1 50 VAL QG . . 2.640 3.282 2.645 4.349 1.709 8 4 "[ * *- + 1]" 1
413 1 33 GLY H 1 34 GLU H . . 4.600 4.540 4.482 4.587 . 0 0 "[ . 1]" 1
414 1 33 GLY H 1 48 VAL QG . . 5.060 4.642 3.819 5.319 0.259 2 0 "[ . 1]" 1
415 1 33 GLY H 1 49 LEU H . . 5.230 4.684 4.110 4.965 . 0 0 "[ . 1]" 1
416 1 33 GLY H 1 49 LEU QB . . 5.340 4.662 4.328 5.046 . 0 0 "[ . 1]" 1
417 1 33 GLY H 1 49 LEU QD . . 4.170 2.599 2.181 3.262 . 0 0 "[ . 1]" 1
418 1 33 GLY H 1 50 VAL HA . . 5.500 3.869 3.484 4.418 . 0 0 "[ . 1]" 1
419 1 33 GLY HA2 1 34 GLU H . . 3.550 2.352 2.330 2.380 . 0 0 "[ . 1]" 1
420 1 33 GLY HA3 1 34 GLU H . . 3.550 2.800 2.781 2.815 . 0 0 "[ . 1]" 1
421 1 33 GLY QA 1 34 GLU H . . 3.020 2.237 2.219 2.258 . 0 0 "[ . 1]" 1
422 1 34 GLU H 1 34 GLU HG2 . . 5.350 2.947 1.681 3.942 . 0 0 "[ . 1]" 1
423 1 34 GLU H 1 34 GLU HG3 . . 5.350 3.002 1.724 3.818 . 0 0 "[ . 1]" 1
424 1 34 GLU H 1 34 GLU QB . . 3.550 2.522 2.277 2.814 . 0 0 "[ . 1]" 1
425 1 34 GLU H 1 34 GLU QG . . 4.550 2.397 1.673 3.404 . 0 0 "[ . 1]" 1
426 1 34 GLU H 1 35 VAL H . . 4.860 4.551 4.358 4.610 . 0 0 "[ . 1]" 1
427 1 34 GLU H 1 49 LEU QD . . 4.420 3.669 3.352 4.145 . 0 0 "[ . 1]" 1
428 1 34 GLU HA 1 34 GLU HB2 . . 3.010 2.833 2.516 3.025 0.015 4 0 "[ . 1]" 1
429 1 34 GLU HA 1 34 GLU HB3 . . 3.010 2.457 2.284 2.616 . 0 0 "[ . 1]" 1
430 1 34 GLU HA 1 34 GLU QG . . 3.610 2.820 2.290 3.390 . 0 0 "[ . 1]" 1
431 1 34 GLU HA 1 35 VAL H . . 2.890 2.194 2.103 2.315 . 0 0 "[ . 1]" 1
432 1 34 GLU HB3 1 35 VAL H . . 4.690 3.445 2.638 4.007 . 0 0 "[ . 1]" 1
433 1 34 GLU HG2 1 35 VAL H . . 5.500 4.895 3.816 5.301 . 0 0 "[ . 1]" 1
434 1 34 GLU QB 1 35 VAL H . . 4.050 2.992 2.583 3.500 . 0 0 "[ . 1]" 1
435 1 34 GLU QG 1 35 VAL H . . 4.830 4.142 3.672 4.733 . 0 0 "[ . 1]" 1
436 1 35 VAL H 1 35 VAL HB . . 3.920 3.736 3.665 3.828 . 0 0 "[ . 1]" 1
437 1 35 VAL H 1 35 VAL MG1 . . 4.090 2.549 2.032 3.027 . 0 0 "[ . 1]" 1
438 1 35 VAL H 1 35 VAL MG2 . . 4.090 2.128 1.977 2.336 . 0 0 "[ . 1]" 1
439 1 35 VAL H 1 35 VAL QG . . 3.320 2.004 1.894 2.129 . 0 0 "[ . 1]" 1
440 1 35 VAL H 1 36 GLU H . . 4.800 4.512 4.423 4.573 . 0 0 "[ . 1]" 1
441 1 35 VAL HA 1 35 VAL QG . . 2.950 2.332 2.260 2.431 . 0 0 "[ . 1]" 1
442 1 35 VAL HA 1 36 GLU H . . 2.640 2.306 2.273 2.340 . 0 0 "[ . 1]" 1
443 1 35 VAL HB 1 36 GLU H . . 3.000 2.637 2.555 2.729 . 0 0 "[ . 1]" 1
444 1 35 VAL MG1 1 36 GLU H . . 4.210 3.802 3.669 3.946 . 0 0 "[ . 1]" 1
445 1 35 VAL MG1 1 47 GLY H . . 4.900 4.783 4.145 5.130 0.230 7 0 "[ . 1]" 1
446 1 35 VAL MG1 1 48 VAL HA . . 3.880 1.795 1.491 2.361 . 0 0 "[ . 1]" 1
447 1 35 VAL MG2 1 36 GLU H . . 4.210 3.477 3.136 3.641 . 0 0 "[ . 1]" 1
448 1 35 VAL MG2 1 47 GLY H . . 4.900 3.903 3.281 4.221 . 0 0 "[ . 1]" 1
449 1 35 VAL MG2 1 48 VAL HA . . 3.880 3.240 2.018 3.793 . 0 0 "[ . 1]" 1
450 1 35 VAL QG 1 36 GLU H . . 3.690 3.210 3.020 3.300 . 0 0 "[ . 1]" 1
451 1 35 VAL QG 1 36 GLU HA . . 4.750 3.686 3.480 3.914 . 0 0 "[ . 1]" 1
452 1 35 VAL QG 1 46 TYR HA . . 5.440 4.485 3.662 4.895 . 0 0 "[ . 1]" 1
453 1 35 VAL QG 1 47 GLY H . . 3.890 3.730 3.163 4.023 0.133 5 0 "[ . 1]" 1
454 1 35 VAL QG 1 48 VAL HA . . 3.190 1.781 1.481 2.318 . 0 0 "[ . 1]" 1
455 1 35 VAL QG 1 48 VAL QG . . 3.370 2.110 1.624 3.082 . 0 0 "[ . 1]" 1
456 1 35 VAL QG 1 49 LEU H . . 2.550 1.960 1.598 2.547 . 0 0 "[ . 1]" 1
457 1 35 VAL QG 1 49 LEU HG . . 5.440 2.523 1.706 3.617 . 0 0 "[ . 1]" 1
458 1 35 VAL QG 1 49 LEU QD . . 2.860 2.340 1.727 3.527 0.667 10 1 "[ . +]" 1
459 1 36 GLU H 1 36 GLU HB2 . . 3.560 3.612 2.456 3.817 0.257 9 0 "[ . 1]" 1
460 1 36 GLU H 1 36 GLU HB3 . . 3.560 3.077 2.937 3.662 0.102 10 0 "[ . 1]" 1
461 1 36 GLU H 1 36 GLU HG2 . . 5.410 2.372 2.057 3.943 . 0 0 "[ . 1]" 1
462 1 36 GLU H 1 36 GLU HG3 . . 5.310 3.023 2.743 3.296 . 0 0 "[ . 1]" 1
463 1 36 GLU H 1 36 GLU QB . . 3.560 2.846 2.421 3.020 . 0 0 "[ . 1]" 1
464 1 36 GLU H 1 36 GLU QG . . 4.330 2.217 2.022 2.866 . 0 0 "[ . 1]" 1
465 1 36 GLU H 1 37 THR H . . 4.650 4.489 4.405 4.530 . 0 0 "[ . 1]" 1
466 1 36 GLU HA 1 36 GLU HG2 . . 4.120 3.650 2.473 3.860 . 0 0 "[ . 1]" 1
467 1 36 GLU HA 1 36 GLU HG3 . . 4.120 3.675 3.081 3.798 . 0 0 "[ . 1]" 1
468 1 36 GLU HA 1 37 THR H . . 2.970 2.303 2.180 2.391 . 0 0 "[ . 1]" 1
469 1 36 GLU HB2 1 37 THR H . . 4.200 2.820 2.473 4.068 . 0 0 "[ . 1]" 1
470 1 36 GLU HB3 1 37 THR H . . 4.200 3.816 2.969 4.034 . 0 0 "[ . 1]" 1
471 1 36 GLU HG2 1 37 THR H . . 5.300 4.762 4.067 4.978 . 0 0 "[ . 1]" 1
472 1 36 GLU HG3 1 37 THR H . . 5.300 3.993 3.636 4.979 . 0 0 "[ . 1]" 1
473 1 36 GLU HG3 1 47 GLY H . . 5.500 5.294 3.709 6.396 0.896 2 2 "[ + . -]" 1
474 1 36 GLU QB 1 37 THR H . . 3.500 2.663 2.444 2.900 . 0 0 "[ . 1]" 1
475 1 36 GLU QG 1 37 THR H . . 4.610 3.748 3.520 3.922 . 0 0 "[ . 1]" 1
476 1 37 THR H 1 37 THR HB . . 3.730 3.152 2.460 3.611 . 0 0 "[ . 1]" 1
477 1 37 THR H 1 37 THR MG . . 3.700 3.142 2.364 3.792 0.092 8 0 "[ . 1]" 1
478 1 37 THR H 1 38 GLU H . . 4.530 4.477 4.315 4.606 0.076 4 0 "[ . 1]" 1
479 1 37 THR HA 1 37 THR MG . . 2.920 2.271 2.180 2.427 . 0 0 "[ . 1]" 1
480 1 37 THR HA 1 38 GLU H . . 4.130 2.174 2.127 2.246 . 0 0 "[ . 1]" 1
481 1 37 THR HA 1 46 TYR HA . . 4.770 2.758 2.383 2.976 . 0 0 "[ . 1]" 1
482 1 37 THR HA 1 46 TYR QD . . 3.900 3.624 2.879 4.277 0.377 5 0 "[ . 1]" 1
483 1 37 THR HA 1 46 TYR QE . . 5.500 4.846 3.800 5.642 0.142 9 0 "[ . 1]" 1
484 1 37 THR HA 1 47 GLY H . . 4.390 3.541 2.922 3.974 . 0 0 "[ . 1]" 1
485 1 37 THR HB 1 38 GLU H . . 4.200 3.658 2.757 4.363 0.163 2 0 "[ . 1]" 1
486 1 37 THR HB 1 46 TYR HA . . 4.530 5.037 3.858 5.792 1.262 8 6 "[-** . *+ *]" 1
487 1 37 THR HB 1 46 TYR QD . . 4.500 5.257 4.701 5.732 1.232 8 8 "[*** *-*+ *]" 1
488 1 37 THR MG 1 38 GLU H . . 3.870 3.372 2.941 3.831 . 0 0 "[ . 1]" 1
489 1 37 THR MG 1 46 TYR H . . 4.840 5.014 4.617 5.753 0.913 1 1 "[+ . 1]" 1
490 1 37 THR MG 1 46 TYR HA . . 3.780 3.384 2.559 3.983 0.203 1 0 "[ . 1]" 1
491 1 37 THR MG 1 46 TYR QD . . 2.400 2.984 2.285 3.906 1.506 8 5 "[ ** * + -]" 1
492 1 37 THR MG 1 46 TYR QE . . 3.140 3.014 2.683 3.775 0.635 8 1 "[ . + 1]" 1
493 1 38 GLU H 1 38 GLU HG2 . . 4.480 3.427 3.248 3.737 . 0 0 "[ . 1]" 1
494 1 38 GLU H 1 38 GLU HG3 . . 4.480 2.437 2.269 2.741 . 0 0 "[ . 1]" 1
495 1 38 GLU H 1 38 GLU QB . . 3.690 2.442 2.401 2.468 . 0 0 "[ . 1]" 1
496 1 38 GLU H 1 38 GLU QG . . 3.890 2.385 2.233 2.634 . 0 0 "[ . 1]" 1
497 1 38 GLU H 1 39 THR H . . 4.710 4.410 3.958 4.603 . 0 0 "[ . 1]" 1
498 1 38 GLU H 1 46 TYR HA . . 4.180 2.857 2.345 3.470 . 0 0 "[ . 1]" 1
499 1 38 GLU H 1 46 TYR QB . . 5.500 4.870 4.454 5.372 . 0 0 "[ . 1]" 1
500 1 38 GLU H 1 47 GLY H . . 4.880 3.507 2.985 3.936 . 0 0 "[ . 1]" 1
501 1 38 GLU HA 1 38 GLU QG . . 2.530 2.407 2.314 2.518 . 0 0 "[ . 1]" 1
502 1 38 GLU HA 1 39 THR H . . 2.990 2.237 2.124 2.777 . 0 0 "[ . 1]" 1
503 1 38 GLU HB2 1 44 ALA MB . . 4.270 3.480 3.107 3.933 . 0 0 "[ . 1]" 1
504 1 38 GLU HB3 1 44 ALA MB . . 4.270 3.963 3.596 4.503 0.233 9 0 "[ . 1]" 1
505 1 38 GLU HG2 1 47 GLY H . . 5.500 4.438 3.923 5.558 0.058 9 0 "[ . 1]" 1
506 1 38 GLU HG3 1 47 GLY H . . 5.500 2.988 2.505 4.394 . 0 0 "[ . 1]" 1
507 1 38 GLU QB 1 38 GLU QG . . 2.180 2.081 2.069 2.086 . 0 0 "[ . 1]" 1
508 1 38 GLU QB 1 39 THR H . . 4.060 3.113 1.820 3.779 . 0 0 "[ . 1]" 1
509 1 38 GLU QB 1 40 GLY H . . 5.340 5.112 4.500 5.964 0.624 2 1 "[ + . 1]" 1
510 1 38 GLU QB 1 44 ALA MB . . 3.630 3.263 2.947 3.688 0.058 7 0 "[ . 1]" 1
511 1 38 GLU QG 1 39 THR H . . 4.630 4.156 3.795 4.372 . 0 0 "[ . 1]" 1
512 1 38 GLU QG 1 44 ALA HA . . 5.250 6.191 5.563 6.515 1.265 7 9 "[***-**+ **]" 1
513 1 38 GLU QG 1 44 ALA MB . . 3.400 4.294 3.738 4.961 1.561 7 9 "[*** **+*-*]" 1
514 1 38 GLU QG 1 45 ALA H . . 4.730 5.590 4.308 6.401 1.671 9 8 "[*** *-* +*]" 1
515 1 38 GLU QG 1 45 ALA HA . . 4.300 5.031 4.398 5.570 1.270 7 6 "[ ** * + *-]" 1
516 1 38 GLU QG 1 46 TYR HA . . 3.720 3.609 3.090 4.827 1.107 9 1 "[ . +1]" 1
517 1 39 THR H 1 39 THR HB . . 4.190 3.202 2.555 3.778 . 0 0 "[ . 1]" 1
518 1 39 THR H 1 39 THR MG . . 4.090 3.005 1.933 3.909 . 0 0 "[ . 1]" 1
519 1 39 THR HA 1 39 THR HB . . 2.780 2.690 2.425 3.023 0.243 4 0 "[ . 1]" 1
520 1 39 THR HA 1 39 THR MG . . 3.160 2.459 2.211 3.220 0.060 7 0 "[ . 1]" 1
521 1 39 THR HB 1 40 GLY H . . 4.170 3.647 2.173 4.266 0.096 4 0 "[ . 1]" 1
522 1 39 THR MG 1 40 GLY H . . 4.250 3.461 2.749 4.014 . 0 0 "[ . 1]" 1
523 1 41 GLU H 1 41 GLU HB2 . . 3.750 2.741 2.216 3.792 0.042 2 0 "[ . 1]" 1
524 1 41 GLU H 1 41 GLU HB3 . . 3.750 3.172 2.501 3.730 . 0 0 "[ . 1]" 1
525 1 41 GLU H 1 41 GLU HG2 . . 5.500 4.106 2.114 5.008 . 0 0 "[ . 1]" 1
526 1 41 GLU H 1 41 GLU HG3 . . 5.500 4.006 2.783 5.117 . 0 0 "[ . 1]" 1
527 1 41 GLU H 1 41 GLU QB . . 3.350 2.485 2.193 3.089 . 0 0 "[ . 1]" 1
528 1 41 GLU H 1 41 GLU QG . . 4.740 3.526 2.082 4.370 . 0 0 "[ . 1]" 1
529 1 41 GLU HA 1 41 GLU HG2 . . 4.240 3.031 2.424 3.819 . 0 0 "[ . 1]" 1
530 1 41 GLU HA 1 41 GLU HG3 . . 4.240 3.153 2.470 3.837 . 0 0 "[ . 1]" 1
531 1 41 GLU HA 1 41 GLU QG . . 3.610 2.577 2.391 3.326 . 0 0 "[ . 1]" 1
532 1 41 GLU HA 1 42 GLY H . . 3.270 2.301 2.119 2.547 . 0 0 "[ . 1]" 1
533 1 41 GLU HB2 1 42 GLY H . . 4.740 3.885 2.195 4.395 . 0 0 "[ . 1]" 1
534 1 41 GLU HB3 1 42 GLY H . . 4.740 3.421 2.067 4.318 . 0 0 "[ . 1]" 1
535 1 41 GLU HG2 1 42 GLY H . . 5.500 3.928 3.287 4.807 . 0 0 "[ . 1]" 1
536 1 41 GLU HG3 1 42 GLY H . . 5.500 4.035 2.316 5.152 . 0 0 "[ . 1]" 1
537 1 41 GLU QB 1 42 GLY H . . 4.120 3.086 2.050 3.876 . 0 0 "[ . 1]" 1
538 1 42 GLY H 1 43 ALA MB . . 5.470 5.098 4.058 5.602 0.132 7 0 "[ . 1]" 1
539 1 42 GLY HA2 1 43 ALA H . . 3.530 3.121 2.681 3.576 0.046 5 0 "[ . 1]" 1
540 1 42 GLY HA3 1 43 ALA H . . 3.530 2.445 2.129 2.950 . 0 0 "[ . 1]" 1
541 1 42 GLY QA 1 43 ALA H . . 3.040 2.348 2.105 2.805 . 0 0 "[ . 1]" 1
542 1 43 ALA H 1 44 ALA H . . 3.480 2.160 1.812 2.677 . 0 0 "[ . 1]" 1
543 1 43 ALA MB 1 44 ALA H . . 4.650 2.900 2.086 3.434 . 0 0 "[ . 1]" 1
544 1 43 ALA MB 1 63 ASP QB . . 4.500 3.415 2.184 5.127 0.627 9 1 "[ . +1]" 1
545 1 43 ALA MB 1 69 LEU HG . . 3.390 4.586 3.959 5.425 2.035 4 10 [***+**-***] 1
546 1 43 ALA MB 1 69 LEU QD . . 3.200 2.264 1.925 2.831 . 0 0 "[ . 1]" 1
547 1 44 ALA H 1 44 ALA MB . . 2.990 2.264 2.231 2.298 . 0 0 "[ . 1]" 1
548 1 44 ALA H 1 45 ALA H . . 4.650 4.367 4.147 4.546 . 0 0 "[ . 1]" 1
549 1 44 ALA H 1 69 LEU QD . . 5.500 3.424 3.013 3.713 . 0 0 "[ . 1]" 1
550 1 44 ALA HA 1 45 ALA H . . 3.200 2.187 2.134 2.492 . 0 0 "[ . 1]" 1
551 1 44 ALA HA 1 46 TYR H . . 3.980 3.677 3.311 4.174 0.194 4 0 "[ . 1]" 1
552 1 44 ALA HA 1 61 HIS QB . . 4.610 3.729 3.427 4.455 . 0 0 "[ . 1]" 1
553 1 44 ALA HA 1 62 LEU H . . 5.060 4.319 3.787 5.065 0.005 4 0 "[ . 1]" 1
554 1 44 ALA HA 1 62 LEU QB . . 5.500 5.274 4.763 5.827 0.327 8 0 "[ . 1]" 1
555 1 44 ALA HA 1 63 ASP H . . 4.370 5.095 4.756 5.532 1.162 8 7 "[ -****+*1]" 1
556 1 44 ALA HA 1 63 ASP HA . . 4.210 3.242 2.884 3.663 . 0 0 "[ . 1]" 1
557 1 44 ALA HA 1 63 ASP QB . . 4.450 4.445 4.006 4.946 0.496 9 0 "[ . 1]" 1
558 1 44 ALA HA 1 69 LEU QB . . 4.940 4.504 4.158 4.915 . 0 0 "[ . 1]" 1
559 1 44 ALA HA 1 69 LEU HG . . 3.640 4.427 4.087 4.758 1.118 7 9 "[*** *-+***]" 1
560 1 44 ALA MB 1 45 ALA H . . 3.850 3.219 2.255 3.536 . 0 0 "[ . 1]" 1
561 1 44 ALA MB 1 46 TYR H . . 4.270 3.938 3.485 4.718 0.448 8 0 "[ . 1]" 1
562 1 44 ALA MB 1 61 HIS HA . . 3.740 4.128 3.405 5.213 1.473 8 3 "[ * -+ 1]" 1
563 1 44 ALA MB 1 61 HIS QB . . 3.040 2.736 2.150 3.711 0.671 5 1 "[ + 1]" 1
564 1 44 ALA MB 1 61 HIS HD2 . . 3.580 3.389 2.071 4.907 1.327 7 3 "[ .*+- 1]" 1
565 1 44 ALA MB 1 62 LEU H . . 4.470 4.144 3.565 5.180 0.710 8 1 "[ . + 1]" 1
566 1 44 ALA MB 1 69 LEU QB . . 4.580 4.148 3.671 4.922 0.342 5 0 "[ . 1]" 1
567 1 44 ALA MB 1 69 LEU QD . . 3.440 2.769 2.290 3.373 . 0 0 "[ . 1]" 1
568 1 45 ALA H 1 45 ALA MB . . 3.500 2.454 2.281 2.694 . 0 0 "[ . 1]" 1
569 1 45 ALA H 1 46 TYR H . . 3.070 2.020 1.783 2.404 . 0 0 "[ . 1]" 1
570 1 45 ALA H 1 62 LEU QB . . 5.250 4.431 4.076 4.869 . 0 0 "[ . 1]" 1
571 1 45 ALA H 1 63 ASP HA . . 3.890 2.898 2.659 3.220 . 0 0 "[ . 1]" 1
572 1 45 ALA H 1 63 ASP QB . . 5.080 4.715 4.428 5.111 0.031 6 0 "[ . 1]" 1
573 1 45 ALA MB 1 46 TYR H . . 3.470 2.770 2.345 3.092 . 0 0 "[ . 1]" 1
574 1 45 ALA MB 1 63 ASP HA . . 4.290 3.271 2.843 3.836 . 0 0 "[ . 1]" 1
575 1 45 ALA MB 1 63 ASP QB . . 5.470 4.558 3.924 5.258 . 0 0 "[ . 1]" 1
576 1 45 ALA MB 1 64 ARG H . . 4.700 3.474 2.745 4.147 . 0 0 "[ . 1]" 1
577 1 45 ALA MB 1 64 ARG QB . . 4.990 3.884 3.479 4.304 . 0 0 "[ . 1]" 1
578 1 45 ALA MB 1 64 ARG HG2 . . 3.330 3.009 2.672 3.441 0.111 10 0 "[ . 1]" 1
579 1 46 TYR H 1 46 TYR QB . . 3.790 2.648 2.538 2.799 . 0 0 "[ . 1]" 1
580 1 46 TYR H 1 46 TYR QD . . 4.530 2.997 2.742 3.402 . 0 0 "[ . 1]" 1
581 1 46 TYR H 1 46 TYR QE . . 4.490 4.923 4.663 5.310 0.820 3 3 "[ *+ - 1]" 1
582 1 46 TYR H 1 47 GLY H . . 4.620 4.355 4.249 4.450 . 0 0 "[ . 1]" 1
583 1 46 TYR H 1 62 LEU H . . 3.780 3.123 2.977 3.288 . 0 0 "[ . 1]" 1
584 1 46 TYR H 1 62 LEU QB . . 3.670 3.368 3.161 3.525 . 0 0 "[ . 1]" 1
585 1 46 TYR H 1 62 LEU HG . . 5.500 6.127 5.957 6.366 0.866 6 9 "[*-* *+****]" 1
586 1 46 TYR H 1 63 ASP H . . 4.640 5.046 4.732 5.352 0.712 10 4 "[* - .* +]" 1
587 1 46 TYR H 1 63 ASP HA . . 4.440 4.077 3.650 4.553 0.113 6 0 "[ . 1]" 1
588 1 46 TYR HA 1 46 TYR QD . . 3.000 2.899 2.667 3.121 0.121 4 0 "[ . 1]" 1
589 1 46 TYR HA 1 46 TYR QE . . 5.500 4.698 4.554 4.869 . 0 0 "[ . 1]" 1
590 1 46 TYR HA 1 47 GLY H . . 3.200 2.194 2.151 2.333 . 0 0 "[ . 1]" 1
591 1 46 TYR HA 1 62 LEU QB . . 5.500 4.465 4.298 4.773 . 0 0 "[ . 1]" 1
592 1 46 TYR QB 1 46 TYR QD . . 2.400 2.135 2.131 2.139 . 0 0 "[ . 1]" 1
593 1 46 TYR QB 1 47 GLY H . . 3.830 3.037 2.551 3.154 . 0 0 "[ . 1]" 1
594 1 46 TYR QB 1 62 LEU H . . 4.520 3.239 2.962 3.608 . 0 0 "[ . 1]" 1
595 1 46 TYR QB 1 62 LEU QB . . 3.650 1.969 1.777 2.231 . 0 0 "[ . 1]" 1
596 1 46 TYR QB 1 62 LEU HG . . 3.670 4.373 4.199 4.840 1.170 8 10 [****-**+**] 1
597 1 46 TYR QB 1 62 LEU QD . . 4.740 2.882 2.637 3.155 . 0 0 "[ . 1]" 1
598 1 46 TYR QB 1 66 PHE HA . . 4.460 4.249 3.626 4.703 0.243 10 0 "[ . 1]" 1
599 1 46 TYR QB 1 66 PHE QE . . 4.360 3.811 3.105 4.276 . 0 0 "[ . 1]" 1
600 1 46 TYR QB 1 66 PHE HZ . . 3.610 4.302 3.915 4.873 1.263 2 9 "[-+ *******]" 1
601 1 46 TYR QB 1 47 GLY QA . . 5.410 3.880 3.765 3.949 . 0 0 "[ . 1]" 1
602 1 46 TYR QD 1 47 GLY H . . 4.810 4.123 3.464 4.499 . 0 0 "[ . 1]" 1
603 1 46 TYR QD 1 66 PHE HZ . . 4.260 4.096 3.542 5.508 1.248 2 1 "[ + . 1]" 1
604 1 46 TYR QD 1 62 LEU QB . . 3.070 2.809 2.050 3.510 0.440 2 0 "[ . 1]" 1
605 1 46 TYR QD 1 64 ARG HA . . 4.160 3.710 2.912 4.339 0.179 10 0 "[ . 1]" 1
606 1 46 TYR QD 1 66 PHE H . . 4.550 3.865 3.564 4.461 . 0 0 "[ . 1]" 1
607 1 46 TYR QE 1 62 LEU QB . . 5.020 4.631 3.748 5.391 0.371 2 0 "[ . 1]" 1
608 1 46 TYR QE 1 64 ARG HA . . 3.400 2.638 1.847 3.298 . 0 0 "[ . 1]" 1
609 1 46 TYR QE 1 64 ARG QB . . 4.350 4.297 3.660 4.886 0.536 8 1 "[ . + 1]" 1
610 1 46 TYR QE 1 65 ASP H . . 5.500 4.993 4.303 6.050 0.550 8 1 "[ . + 1]" 1
611 1 46 TYR QE 1 66 PHE H . . 4.000 3.772 2.664 4.776 0.776 8 2 "[ - . + 1]" 1
612 1 46 TYR QE 1 66 PHE HA . . 4.090 4.505 3.421 5.286 1.196 2 4 "[ + *.- * 1]" 1
613 1 46 TYR QE 1 66 PHE HB2 . . 5.500 5.342 4.804 6.287 0.787 4 1 "[ +. 1]" 1
614 1 47 GLY H 1 48 VAL HA . . 4.880 4.781 4.660 4.904 0.024 2 0 "[ . 1]" 1
615 1 47 GLY H 1 62 LEU QB . . 5.230 4.951 4.391 5.359 0.129 8 0 "[ . 1]" 1
616 1 47 GLY H 1 62 LEU QD . . 5.500 5.126 4.227 5.521 0.021 8 0 "[ . 1]" 1
617 1 47 GLY QA 1 48 VAL H . . 3.410 2.119 2.106 2.139 . 0 0 "[ . 1]" 1
618 1 47 GLY QA 1 61 HIS HA . . 3.330 2.585 2.345 2.931 . 0 0 "[ . 1]" 1
619 1 47 GLY QA 1 61 HIS HD2 . . 4.180 2.866 2.066 3.593 . 0 0 "[ . 1]" 1
620 1 47 GLY QA 1 62 LEU H . . 4.270 3.334 2.979 3.697 . 0 0 "[ . 1]" 1
621 1 47 GLY QA 1 62 LEU QD . . 4.120 4.135 3.373 4.431 0.311 1 0 "[ . 1]" 1
622 1 48 VAL H 1 48 VAL HB . . 3.520 2.623 2.519 2.748 . 0 0 "[ . 1]" 1
623 1 48 VAL H 1 48 VAL QG . . 3.410 2.363 2.230 2.832 . 0 0 "[ . 1]" 1
624 1 48 VAL H 1 49 LEU H . . 4.760 4.342 4.049 4.496 . 0 0 "[ . 1]" 1
625 1 48 VAL H 1 60 VAL HB . . 4.280 3.371 3.112 3.646 . 0 0 "[ . 1]" 1
626 1 48 VAL H 1 61 HIS HA . . 4.600 3.528 3.274 3.746 . 0 0 "[ . 1]" 1
627 1 48 VAL HA 1 48 VAL QG . . 3.090 2.131 2.119 2.145 . 0 0 "[ . 1]" 1
628 1 48 VAL HA 1 49 LEU H . . 3.170 2.168 2.142 2.208 . 0 0 "[ . 1]" 1
629 1 48 VAL HB 1 60 VAL H . . 4.270 2.998 2.422 3.481 . 0 0 "[ . 1]" 1
630 1 48 VAL HB 1 60 VAL HB . . 4.560 2.081 1.557 2.916 . 0 0 "[ . 1]" 1
631 1 48 VAL QG 1 49 LEU H . . 3.540 2.835 2.331 3.092 . 0 0 "[ . 1]" 1
632 1 48 VAL QG 1 49 LEU HA . . 3.410 3.898 3.754 4.028 0.618 8 4 "[* *- + 1]" 1
633 1 48 VAL QG 1 49 LEU HB3 . . 5.220 4.911 4.701 5.086 . 0 0 "[ . 1]" 1
634 1 48 VAL QG 1 60 VAL H . . 2.690 3.621 3.313 3.966 1.276 7 10 [******+**-] 1
635 1 48 VAL QG 1 60 VAL HA . . 4.810 4.910 4.467 5.407 0.597 4 1 "[ +. 1]" 1
636 1 48 VAL QG 1 60 VAL QG . . 2.640 3.011 2.612 3.611 0.971 4 3 "[ +- * 1]" 1
637 1 49 LEU H 1 49 LEU HB2 . . 3.860 3.663 3.623 3.747 . 0 0 "[ . 1]" 1
638 1 49 LEU H 1 49 LEU HB3 . . 3.000 2.927 2.748 3.060 0.060 7 0 "[ . 1]" 1
639 1 49 LEU H 1 49 LEU HG . . 4.010 2.102 1.840 2.454 . 0 0 "[ . 1]" 1
640 1 49 LEU H 1 49 LEU QD . . 4.260 2.600 1.531 3.046 . 0 0 "[ . 1]" 1
641 1 49 LEU H 1 50 VAL H . . 4.720 4.342 4.235 4.498 . 0 0 "[ . 1]" 1
642 1 49 LEU H 1 50 VAL QG . . 5.440 4.085 3.923 4.349 . 0 0 "[ . 1]" 1
643 1 49 LEU HA 1 49 LEU HG . . 3.950 3.661 3.627 3.724 . 0 0 "[ . 1]" 1
644 1 49 LEU HA 1 49 LEU QD . . 3.510 3.425 3.318 3.460 . 0 0 "[ . 1]" 1
645 1 49 LEU HA 1 50 VAL H . . 2.830 2.121 2.093 2.151 . 0 0 "[ . 1]" 1
646 1 49 LEU HA 1 50 VAL QG . . 3.790 3.410 3.243 3.747 . 0 0 "[ . 1]" 1
647 1 49 LEU HB2 1 49 LEU HG . . 3.000 2.878 2.636 2.963 . 0 0 "[ . 1]" 1
648 1 49 LEU HB2 1 49 LEU QD . . 2.400 2.098 2.072 2.145 . 0 0 "[ . 1]" 1
649 1 49 LEU HB2 1 50 VAL H . . 3.540 3.522 3.247 3.779 0.239 8 0 "[ . 1]" 1
650 1 49 LEU HB2 1 57 ARG QD . . 4.350 3.557 2.169 4.597 0.247 1 0 "[ . 1]" 1
651 1 49 LEU HB3 1 49 LEU HG . . 2.700 2.791 2.686 2.993 0.293 8 0 "[ . 1]" 1
652 1 49 LEU HB3 1 49 LEU QD . . 2.400 2.099 2.076 2.126 . 0 0 "[ . 1]" 1
653 1 49 LEU HB3 1 50 VAL H . . 5.500 4.259 4.144 4.326 . 0 0 "[ . 1]" 1
654 1 49 LEU QD 1 57 ARG HA . . 4.650 5.635 4.873 6.259 1.609 1 9 "[+ **-*****]" 1
655 1 49 LEU QD 1 57 ARG HG2 . . 4.380 4.542 3.547 5.363 0.983 1 3 "[+ . - *]" 1
656 1 49 LEU QD 1 57 ARG HG3 . . 4.630 3.860 3.112 4.547 . 0 0 "[ . 1]" 1
657 1 49 LEU QD 1 57 ARG QD . . 3.080 3.431 2.420 4.515 1.435 10 4 "[* . -* +]" 1
658 1 49 LEU QD 1 57 ARG QB . . 4.070 4.953 4.484 5.632 1.562 1 7 "[+ *-*** *]" 1
659 1 49 LEU QD 1 60 VAL H . . 5.500 5.677 5.399 5.893 0.393 10 0 "[ . 1]" 1
660 1 50 VAL H 1 50 VAL HB . . 3.650 3.400 2.534 3.858 0.208 1 0 "[ . 1]" 1
661 1 50 VAL H 1 50 VAL QG . . 3.110 2.194 1.949 2.546 . 0 0 "[ . 1]" 1
662 1 50 VAL H 1 51 THR H . . 4.810 4.244 4.085 4.396 . 0 0 "[ . 1]" 1
663 1 50 VAL H 1 51 THR HA . . 5.500 4.802 4.607 4.994 . 0 0 "[ . 1]" 1
664 1 50 VAL H 1 57 ARG QB . . 5.500 5.581 5.401 5.727 0.227 2 0 "[ . 1]" 1
665 1 50 VAL H 1 57 ARG HG3 . . 3.630 4.025 3.700 4.618 0.988 2 3 "[ + . *-1]" 1
666 1 50 VAL H 1 58 VAL H . . 3.970 3.280 3.031 3.526 . 0 0 "[ . 1]" 1
667 1 50 VAL H 1 59 GLU H . . 5.500 4.860 4.546 5.085 . 0 0 "[ . 1]" 1
668 1 50 VAL H 1 59 GLU HA . . 5.500 3.207 2.735 3.797 . 0 0 "[ . 1]" 1
669 1 50 VAL H 1 60 VAL H . . 5.240 4.088 3.741 4.291 . 0 0 "[ . 1]" 1
670 1 50 VAL HA 1 50 VAL QG . . 2.880 2.183 2.129 2.252 . 0 0 "[ . 1]" 1
671 1 50 VAL HA 1 51 THR H . . 3.420 2.141 2.094 2.277 . 0 0 "[ . 1]" 1
672 1 50 VAL QG 1 51 THR H . . 2.930 3.332 2.833 3.634 0.704 3 6 "[ *+*.** -1]" 1
673 1 50 VAL QG 1 57 ARG HG3 . . 4.620 4.934 4.484 5.329 0.709 5 4 "[ * + * -]" 1
674 1 50 VAL QG 1 58 VAL HA . . 5.440 4.648 4.174 5.478 0.038 5 0 "[ . 1]" 1
675 1 50 VAL QG 1 59 GLU H . . 5.440 4.843 4.350 5.383 . 0 0 "[ . 1]" 1
676 1 50 VAL QG 1 60 VAL H . . 5.440 3.409 3.095 3.846 . 0 0 "[ . 1]" 1
677 1 51 THR H 1 51 THR HB . . 3.690 2.639 2.593 2.797 . 0 0 "[ . 1]" 1
678 1 51 THR H 1 51 THR MG . . 3.800 3.828 3.801 3.932 0.132 1 0 "[ . 1]" 1
679 1 51 THR H 1 52 ARG H . . 4.540 4.305 4.201 4.432 . 0 0 "[ . 1]" 1
680 1 51 THR H 1 57 ARG HG3 . . 5.500 4.649 4.119 5.163 . 0 0 "[ . 1]" 1
681 1 51 THR H 1 57 ARG QD . . 5.340 5.767 4.732 6.536 1.196 8 5 "[*- * + *]" 1
682 1 51 THR HA 1 51 THR MG . . 3.290 2.323 2.297 2.358 . 0 0 "[ . 1]" 1
683 1 51 THR HA 1 52 ARG H . . 3.190 2.153 2.134 2.173 . 0 0 "[ . 1]" 1
684 1 51 THR HA 1 57 ARG HA . . 2.910 2.211 1.893 2.531 . 0 0 "[ . 1]" 1
685 1 51 THR HA 1 58 VAL H . . 4.180 3.297 3.016 3.529 . 0 0 "[ . 1]" 1
686 1 51 THR HB 1 52 ARG H . . 4.610 4.257 4.122 4.357 . 0 0 "[ . 1]" 1
687 1 51 THR MG 1 52 ARG H . . 3.380 3.014 2.790 3.238 . 0 0 "[ . 1]" 1
688 1 51 THR MG 1 53 PRO HA . . 4.670 4.178 3.876 4.454 . 0 0 "[ . 1]" 1
689 1 51 THR MG 1 53 PRO QD . . 5.280 4.781 4.360 4.974 . 0 0 "[ . 1]" 1
690 1 51 THR MG 1 54 ASP H . . 5.010 5.040 4.330 5.512 0.502 8 1 "[ . + 1]" 1
691 1 51 THR MG 1 55 GLY H . . 4.050 3.868 3.425 4.801 0.751 8 1 "[ . + 1]" 1
692 1 51 THR MG 1 55 GLY QA . . 3.410 3.617 2.950 4.852 1.442 8 1 "[ . + 1]" 1
693 1 51 THR MG 1 57 ARG H . . 5.190 4.291 3.486 5.188 . 0 0 "[ . 1]" 1
694 1 51 THR MG 1 57 ARG HA . . 3.620 3.113 2.449 3.648 0.028 8 0 "[ . 1]" 1
695 1 51 THR MG 1 57 ARG QB . . 3.600 2.837 1.914 3.676 0.076 9 0 "[ . 1]" 1
696 1 51 THR MG 1 57 ARG QD . . 3.730 3.974 2.754 4.812 1.082 9 5 "[ - * *+*]" 1
697 1 51 THR MG 1 58 VAL H . . 5.130 4.769 4.264 5.133 0.003 9 0 "[ . 1]" 1
698 1 52 ARG H 1 52 ARG HD2 . . 5.500 3.284 2.358 4.288 . 0 0 "[ . 1]" 1
699 1 52 ARG H 1 52 ARG HD3 . . 5.500 3.531 2.336 5.030 . 0 0 "[ . 1]" 1
700 1 52 ARG H 1 52 ARG QD . . 4.840 3.000 2.172 4.062 . 0 0 "[ . 1]" 1
701 1 52 ARG H 1 52 ARG QG . . 4.120 3.325 2.430 3.885 . 0 0 "[ . 1]" 1
702 1 52 ARG H 1 55 GLY H . . 4.860 4.466 4.038 4.784 . 0 0 "[ . 1]" 1
703 1 52 ARG H 1 56 THR H . . 4.270 3.709 3.386 4.385 0.115 4 0 "[ . 1]" 1
704 1 52 ARG H 1 57 ARG HA . . 4.060 3.244 2.789 3.501 . 0 0 "[ . 1]" 1
705 1 52 ARG H 1 58 VAL QG . . 4.940 3.995 3.685 4.392 . 0 0 "[ . 1]" 1
706 1 52 ARG HA 1 52 ARG HD2 . . 3.930 3.312 2.203 4.691 0.761 10 3 "[ . -*+]" 1
707 1 52 ARG HA 1 52 ARG HD3 . . 3.530 3.920 3.452 4.307 0.777 8 4 "[- . +**]" 1
708 1 52 ARG HA 1 52 ARG QD . . 3.400 3.052 2.179 3.980 0.580 8 3 "[ . +-*]" 1
709 1 52 ARG HA 1 52 ARG QG . . 3.680 2.383 2.323 2.493 . 0 0 "[ . 1]" 1
710 1 52 ARG HA 1 53 PRO HD2 . . 3.290 2.513 2.099 2.891 . 0 0 "[ . 1]" 1
711 1 52 ARG HA 1 53 PRO HD3 . . 2.790 2.177 1.798 2.460 . 0 0 "[ . 1]" 1
712 1 52 ARG QB 1 53 PRO HD2 . . 4.630 2.655 2.262 3.261 . 0 0 "[ . 1]" 1
713 1 52 ARG QB 1 53 PRO HD3 . . 4.630 3.616 3.219 4.139 . 0 0 "[ . 1]" 1
714 1 52 ARG QB 1 54 ASP H . . 4.650 2.322 1.995 2.455 . 0 0 "[ . 1]" 1
715 1 52 ARG QB 1 55 GLY H . . 4.230 3.422 3.086 3.863 . 0 0 "[ . 1]" 1
716 1 52 ARG QB 1 56 THR H . . 4.150 3.045 2.782 3.280 . 0 0 "[ . 1]" 1
717 1 52 ARG QB 1 56 THR HB . . 4.750 4.317 3.346 4.803 0.053 9 0 "[ . 1]" 1
718 1 52 ARG HG2 1 54 ASP H . . 5.500 4.640 4.302 4.879 . 0 0 "[ . 1]" 1
719 1 52 ARG HG2 1 56 THR H . . 5.500 5.625 5.186 6.123 0.623 9 1 "[ . +1]" 1
720 1 52 ARG HG3 1 54 ASP H . . 5.500 4.688 3.753 5.370 . 0 0 "[ . 1]" 1
721 1 52 ARG HG3 1 56 THR H . . 5.500 5.708 4.815 6.251 0.751 7 3 "[* -. + 1]" 1
722 1 52 ARG QB 1 52 ARG QD . . 2.620 2.224 2.090 2.317 . 0 0 "[ . 1]" 1
723 1 52 ARG QB 1 53 PRO QD . . 4.680 2.575 2.242 3.071 . 0 0 "[ . 1]" 1
724 1 52 ARG QD 1 56 THR HB . . 4.450 5.203 3.818 6.528 2.078 2 7 "[*+* *-* *]" 1
725 1 52 ARG QD 1 52 ARG QG . . 2.240 2.086 2.078 2.091 . 0 0 "[ . 1]" 1
726 1 52 ARG QG 1 53 PRO QD . . 4.000 2.831 2.255 3.425 . 0 0 "[ . 1]" 1
727 1 52 ARG QG 1 56 THR H . . 5.500 4.987 4.588 5.374 . 0 0 "[ . 1]" 1
728 1 53 PRO HD2 1 54 ASP H . . 4.220 2.986 2.673 3.343 . 0 0 "[ . 1]" 1
729 1 53 PRO HD3 1 54 ASP H . . 4.220 3.975 3.760 4.099 . 0 0 "[ . 1]" 1
730 1 53 PRO QB 1 54 ASP H . . 4.070 3.385 2.911 3.701 . 0 0 "[ . 1]" 1
731 1 53 PRO QD 1 54 ASP H . . 3.700 2.903 2.619 3.200 . 0 0 "[ . 1]" 1
732 1 53 PRO QD 1 55 GLY H . . 5.350 4.660 4.536 4.792 . 0 0 "[ . 1]" 1
733 1 54 ASP H 1 54 ASP HB2 . . 3.680 2.537 2.322 2.710 . 0 0 "[ . 1]" 1
734 1 54 ASP H 1 54 ASP HB3 . . 3.680 3.173 2.370 3.610 . 0 0 "[ . 1]" 1
735 1 54 ASP H 1 54 ASP QB . . 3.230 2.380 2.207 2.564 . 0 0 "[ . 1]" 1
736 1 54 ASP H 1 55 GLY H . . 3.800 2.473 1.978 2.628 . 0 0 "[ . 1]" 1
737 1 54 ASP H 1 56 THR H . . 4.260 3.813 3.371 4.088 . 0 0 "[ . 1]" 1
738 1 54 ASP H 1 56 THR HB . . 5.270 6.022 5.749 6.498 1.228 9 9 "[*- *****+*]" 1
739 1 54 ASP H 1 56 THR MG . . 4.600 3.884 3.437 5.539 0.939 4 1 "[ +. 1]" 1
740 1 54 ASP HB2 1 55 GLY H . . 5.060 3.606 3.057 4.171 . 0 0 "[ . 1]" 1
741 1 54 ASP HB3 1 55 GLY H . . 5.060 3.715 2.946 4.279 . 0 0 "[ . 1]" 1
742 1 54 ASP QB 1 55 GLY H . . 4.340 3.100 2.878 3.405 . 0 0 "[ . 1]" 1
743 1 54 ASP QB 1 56 THR H . . 4.080 3.219 2.718 3.681 . 0 0 "[ . 1]" 1
744 1 54 ASP QB 1 56 THR HB . . 3.810 4.100 3.776 5.033 1.223 4 2 "[ +. - 1]" 1
745 1 55 GLY H 1 56 THR H . . 3.190 2.272 2.038 2.381 . 0 0 "[ . 1]" 1
746 1 55 GLY H 1 56 THR MG . . 4.770 3.602 3.247 4.915 0.145 4 0 "[ . 1]" 1
747 1 55 GLY QA 1 56 THR H . . 3.350 2.819 2.764 2.911 . 0 0 "[ . 1]" 1
748 1 56 THR H 1 56 THR HB . . 3.010 3.153 2.739 3.487 0.477 4 0 "[ . 1]" 1
749 1 56 THR H 1 56 THR MG . . 2.850 2.216 1.872 2.922 0.072 4 0 "[ . 1]" 1
750 1 56 THR H 1 57 ARG H . . 4.540 4.391 4.194 4.587 0.047 9 0 "[ . 1]" 1
751 1 56 THR HA 1 56 THR HB . . 2.700 2.452 2.382 2.671 . 0 0 "[ . 1]" 1
752 1 56 THR HA 1 56 THR MG . . 3.210 3.114 2.186 3.224 0.014 3 0 "[ . 1]" 1
753 1 56 THR HA 1 57 ARG H . . 2.770 2.180 2.092 2.273 . 0 0 "[ . 1]" 1
754 1 56 THR HA 1 57 ARG HA . . 4.520 4.380 4.367 4.401 . 0 0 "[ . 1]" 1
755 1 56 THR HA 1 57 ARG QB . . 4.520 3.992 3.861 4.063 . 0 0 "[ . 1]" 1
756 1 56 THR HB 1 57 ARG H . . 5.500 4.016 3.590 4.201 . 0 0 "[ . 1]" 1
757 1 56 THR MG 1 57 ARG H . . 3.740 3.870 3.626 4.133 0.393 1 0 "[ . 1]" 1
758 1 57 ARG H 1 57 ARG QB . . 3.780 2.377 2.320 2.438 . 0 0 "[ . 1]" 1
759 1 57 ARG H 1 57 ARG HG2 . . 4.730 4.375 4.255 4.557 . 0 0 "[ . 1]" 1
760 1 57 ARG H 1 57 ARG HG3 . . 4.530 4.641 4.577 4.691 0.161 8 0 "[ . 1]" 1
761 1 57 ARG H 1 57 ARG QD . . 4.510 4.660 4.443 5.062 0.552 6 2 "[ -.+ 1]" 1
762 1 57 ARG H 1 58 VAL H . . 4.630 4.341 4.278 4.422 . 0 0 "[ . 1]" 1
763 1 57 ARG H 1 74 ALA H . . 5.000 4.559 4.087 5.257 0.257 10 0 "[ . 1]" 1
764 1 57 ARG H 1 74 ALA MB . . 5.500 5.396 4.295 6.381 0.881 6 2 "[ .+ -]" 1
765 1 57 ARG HA 1 57 ARG QD . . 4.570 4.007 3.738 4.109 . 0 0 "[ . 1]" 1
766 1 57 ARG HA 1 57 ARG HG3 . . 4.090 2.630 2.452 2.760 . 0 0 "[ . 1]" 1
767 1 57 ARG HA 1 58 VAL H . . 3.120 2.139 2.113 2.159 . 0 0 "[ . 1]" 1
768 1 57 ARG HA 1 58 VAL QG . . 3.940 3.519 3.336 3.686 . 0 0 "[ . 1]" 1
769 1 57 ARG QB 1 57 ARG QD . . 3.500 2.182 2.066 2.381 . 0 0 "[ . 1]" 1
770 1 57 ARG QB 1 74 ALA H . . 5.500 3.920 3.447 4.372 . 0 0 "[ . 1]" 1
771 1 57 ARG QB 1 74 ALA MB . . 3.020 3.912 2.673 5.107 2.087 6 7 "[-* *.+ ***]" 1
772 1 57 ARG QB 1 57 ARG HG2 . . 2.400 2.334 2.235 2.403 0.003 9 0 "[ . 1]" 1
773 1 57 ARG QD 1 58 VAL H . . 5.500 4.937 4.667 5.065 . 0 0 "[ . 1]" 1
774 1 57 ARG QD 1 74 ALA MB . . 4.690 3.955 2.663 5.176 0.486 6 0 "[ . 1]" 1
775 1 57 ARG HG3 1 58 VAL H . . 4.130 3.300 2.897 3.706 . 0 0 "[ . 1]" 1
776 1 58 VAL H 1 58 VAL HB . . 3.750 2.808 2.584 3.793 0.043 4 0 "[ . 1]" 1
777 1 58 VAL H 1 58 VAL QG . . 3.890 2.475 2.063 2.845 . 0 0 "[ . 1]" 1
778 1 58 VAL H 1 59 GLU H . . 4.760 4.384 4.257 4.479 . 0 0 "[ . 1]" 1
779 1 58 VAL H 1 74 ALA MB . . 4.600 5.291 4.119 6.489 1.889 2 6 "[ +- .* ***]" 1
780 1 58 VAL HA 1 58 VAL MG1 . . 3.280 2.464 2.334 3.223 . 0 0 "[ . 1]" 1
781 1 58 VAL HA 1 58 VAL MG2 . . 3.280 2.497 2.359 3.213 . 0 0 "[ . 1]" 1
782 1 58 VAL HA 1 58 VAL QG . . 2.750 2.172 2.137 2.304 . 0 0 "[ . 1]" 1
783 1 58 VAL HA 1 59 GLU H . . 2.990 2.214 2.148 2.401 . 0 0 "[ . 1]" 1
784 1 58 VAL HA 1 73 PRO HB2 . . 5.500 4.700 4.188 5.509 0.009 7 0 "[ . 1]" 1
785 1 58 VAL HA 1 73 PRO HB3 . . 5.500 3.845 3.035 4.770 . 0 0 "[ . 1]" 1
786 1 58 VAL HA 1 73 PRO QB . . 4.810 3.669 2.978 4.498 . 0 0 "[ . 1]" 1
787 1 58 VAL HA 1 74 ALA H . . 4.280 2.619 1.983 3.349 . 0 0 "[ . 1]" 1
788 1 58 VAL HA 1 74 ALA MB . . 3.770 3.942 2.943 5.012 1.242 2 4 "[ + . **-]" 1
789 1 58 VAL MG1 1 73 PRO HA . . 4.480 2.981 1.792 4.289 . 0 0 "[ . 1]" 1
790 1 58 VAL MG1 1 74 ALA H . . 5.500 4.336 3.397 4.949 . 0 0 "[ . 1]" 1
791 1 58 VAL MG2 1 73 PRO HA . . 4.480 2.727 1.962 4.229 . 0 0 "[ . 1]" 1
792 1 58 VAL MG2 1 74 ALA H . . 5.500 4.167 3.470 4.822 . 0 0 "[ . 1]" 1
793 1 58 VAL QG 1 59 GLU H . . 3.170 2.660 2.383 3.155 . 0 0 "[ . 1]" 1
794 1 58 VAL QG 1 60 VAL HA . . 4.320 3.930 3.523 4.833 0.513 4 1 "[ +. 1]" 1
795 1 58 VAL QG 1 73 PRO HA . . 3.710 2.325 1.790 2.945 . 0 0 "[ . 1]" 1
796 1 59 GLU H 1 59 GLU QG . . 4.240 2.184 1.977 2.890 . 0 0 "[ . 1]" 1
797 1 59 GLU H 1 72 GLU H . . 4.310 3.582 3.206 3.869 . 0 0 "[ . 1]" 1
798 1 59 GLU H 1 73 PRO HA . . 5.500 3.284 2.763 3.861 . 0 0 "[ . 1]" 1
799 1 59 GLU H 1 74 ALA H . . 4.110 3.390 2.864 3.893 . 0 0 "[ . 1]" 1
800 1 59 GLU H 1 74 ALA HA . . 5.500 5.239 4.461 6.212 0.712 2 1 "[ + . 1]" 1
801 1 59 GLU H 1 74 ALA MB . . 4.390 3.478 2.780 4.276 . 0 0 "[ . 1]" 1
802 1 59 GLU HA 1 60 VAL H . . 3.210 2.114 2.077 2.157 . 0 0 "[ . 1]" 1
803 1 59 GLU QG 1 60 VAL H . . 5.500 4.297 3.993 4.828 . 0 0 "[ . 1]" 1
804 1 59 GLU QG 1 73 PRO HA . . 5.500 4.278 3.532 4.878 . 0 0 "[ . 1]" 1
805 1 59 GLU QG 1 74 ALA HA . . 4.630 4.200 3.366 5.111 0.481 2 0 "[ . 1]" 1
806 1 59 GLU QB 1 74 ALA H . . 5.340 4.702 4.255 5.129 . 0 0 "[ . 1]" 1
807 1 59 GLU QB 1 74 ALA MB . . 2.860 3.189 1.949 4.209 1.349 2 5 "[ +* . **-]" 1
808 1 60 VAL H 1 60 VAL HB . . 3.880 2.626 2.578 2.672 . 0 0 "[ . 1]" 1
809 1 60 VAL H 1 60 VAL QG . . 3.390 2.214 2.090 2.367 . 0 0 "[ . 1]" 1
810 1 60 VAL H 1 61 HIS H . . 4.710 4.368 4.251 4.455 . 0 0 "[ . 1]" 1
811 1 60 VAL HA 1 60 VAL MG1 . . 3.390 2.326 2.295 2.346 . 0 0 "[ . 1]" 1
812 1 60 VAL HA 1 60 VAL MG2 . . 3.390 2.481 2.463 2.510 . 0 0 "[ . 1]" 1
813 1 60 VAL HA 1 60 VAL QG . . 2.900 2.133 2.126 2.142 . 0 0 "[ . 1]" 1
814 1 60 VAL HA 1 61 HIS H . . 3.050 2.142 2.129 2.157 . 0 0 "[ . 1]" 1
815 1 60 VAL HA 1 61 HIS HD2 . . 5.360 5.866 4.554 6.549 1.189 5 6 "[* *-+ **]" 1
816 1 60 VAL HA 1 71 THR HA . . 3.120 2.461 2.268 2.743 . 0 0 "[ . 1]" 1
817 1 60 VAL HA 1 71 THR MG . . 3.700 2.599 1.944 3.301 . 0 0 "[ . 1]" 1
818 1 60 VAL HA 1 72 GLU H . . 3.970 3.719 2.996 4.258 0.288 1 0 "[ . 1]" 1
819 1 60 VAL HB 1 61 HIS H . . 4.390 4.197 4.116 4.281 . 0 0 "[ . 1]" 1
820 1 60 VAL HB 1 61 HIS HA . . 5.500 4.863 4.801 4.933 . 0 0 "[ . 1]" 1
821 1 60 VAL HB 1 70 ASP H . . 5.500 6.520 6.402 6.583 1.083 3 10 [*-+*******] 1
822 1 60 VAL HB 1 71 THR HA . . 5.320 5.346 4.921 5.709 0.389 1 0 "[ . 1]" 1
823 1 60 VAL MG1 1 71 THR HA . . 4.540 3.516 2.731 3.906 . 0 0 "[ . 1]" 1
824 1 60 VAL MG2 1 71 THR HA . . 4.540 3.549 3.211 3.944 . 0 0 "[ . 1]" 1
825 1 60 VAL QG 1 61 HIS H . . 3.660 2.845 2.679 3.018 . 0 0 "[ . 1]" 1
826 1 60 VAL QG 1 61 HIS HA . . 4.210 4.016 3.892 4.120 . 0 0 "[ . 1]" 1
827 1 60 VAL QG 1 62 LEU HA . . 5.440 4.108 3.906 4.325 . 0 0 "[ . 1]" 1
828 1 60 VAL QG 1 69 LEU H . . 5.420 3.839 3.444 4.021 . 0 0 "[ . 1]" 1
829 1 60 VAL QG 1 71 THR HA . . 3.930 3.140 2.589 3.495 . 0 0 "[ . 1]" 1
830 1 60 VAL QG 1 71 THR MG . . 3.020 1.785 1.615 2.268 . 0 0 "[ . 1]" 1
831 1 61 HIS H 1 61 HIS QB . . 3.560 2.336 2.185 2.416 . 0 0 "[ . 1]" 1
832 1 61 HIS H 1 61 HIS HD2 . . 5.500 4.546 3.577 5.044 . 0 0 "[ . 1]" 1
833 1 61 HIS H 1 62 LEU H . . 4.660 4.434 4.387 4.484 . 0 0 "[ . 1]" 1
834 1 61 HIS H 1 68 VAL HA . . 5.140 5.358 4.997 5.743 0.603 3 2 "[ + . -1]" 1
835 1 61 HIS H 1 69 LEU QB . . 5.240 4.316 4.070 4.528 . 0 0 "[ . 1]" 1
836 1 61 HIS H 1 70 ASP H . . 4.040 3.196 2.981 3.396 . 0 0 "[ . 1]" 1
837 1 61 HIS H 1 71 THR HA . . 4.030 3.231 3.038 3.428 . 0 0 "[ . 1]" 1
838 1 61 HIS HA 1 61 HIS HD2 . . 3.740 2.658 2.226 3.098 . 0 0 "[ . 1]" 1
839 1 61 HIS HA 1 69 LEU QB . . 4.300 4.716 4.542 4.936 0.636 2 3 "[-+ .* 1]" 1
840 1 61 HIS HA 1 70 ASP H . . 5.500 4.936 4.601 5.241 . 0 0 "[ . 1]" 1
841 1 61 HIS QB 1 62 LEU H . . 4.220 3.236 3.118 3.373 . 0 0 "[ . 1]" 1
842 1 61 HIS QB 1 62 LEU QD . . 5.500 4.147 4.019 4.288 . 0 0 "[ . 1]" 1
843 1 61 HIS QB 1 68 VAL HA . . 5.270 5.458 5.147 5.668 0.398 3 0 "[ . 1]" 1
844 1 61 HIS QB 1 69 LEU H . . 5.140 3.988 3.756 4.131 . 0 0 "[ . 1]" 1
845 1 61 HIS QB 1 69 LEU QB . . 4.280 2.699 2.518 3.010 . 0 0 "[ . 1]" 1
846 1 61 HIS QB 1 69 LEU HG . . 3.390 4.248 3.810 4.744 1.354 2 9 [*+**.***-*] 1
847 1 61 HIS QB 1 70 ASP H . . 4.030 2.843 2.457 3.130 . 0 0 "[ . 1]" 1
848 1 61 HIS QB 1 69 LEU HA . . 5.100 5.310 5.143 5.525 0.425 6 0 "[ . 1]" 1
849 1 61 HIS HD2 1 62 LEU H . . 5.500 4.107 3.572 4.416 . 0 0 "[ . 1]" 1
850 1 61 HIS HE1 1 70 ASP QB . . 4.880 5.548 4.571 6.093 1.213 3 7 "[* + **- **]" 1
851 1 61 HIS HE1 1 72 GLU HG2 . . 5.500 3.499 2.764 5.678 0.178 7 0 "[ . 1]" 1
852 1 61 HIS HE1 1 72 GLU HG3 . . 5.500 3.477 2.160 4.774 . 0 0 "[ . 1]" 1
853 1 61 HIS HE1 1 72 GLU QB . . 5.340 4.551 2.352 5.297 . 0 0 "[ . 1]" 1
854 1 62 LEU H 1 62 LEU HG . . 4.550 4.670 4.546 4.764 0.214 9 0 "[ . 1]" 1
855 1 62 LEU H 1 62 LEU QD . . 4.900 2.987 2.718 3.199 . 0 0 "[ . 1]" 1
856 1 62 LEU H 1 63 ASP H . . 4.550 4.487 4.467 4.516 . 0 0 "[ . 1]" 1
857 1 62 LEU H 1 68 VAL HA . . 5.500 5.305 5.029 5.599 0.099 1 0 "[ . 1]" 1
858 1 62 LEU HA 1 62 LEU HG . . 3.910 2.908 2.843 2.949 . 0 0 "[ . 1]" 1
859 1 62 LEU HA 1 62 LEU QD . . 2.400 1.809 1.624 2.003 . 0 0 "[ . 1]" 1
860 1 62 LEU HA 1 63 ASP H . . 3.230 2.275 2.255 2.306 . 0 0 "[ . 1]" 1
861 1 62 LEU HA 1 66 PHE HA . . 4.210 4.484 4.013 4.745 0.535 2 1 "[ + . 1]" 1
862 1 62 LEU HA 1 68 VAL HA . . 3.250 2.842 2.629 3.240 . 0 0 "[ . 1]" 1
863 1 62 LEU HA 1 68 VAL HB . . 5.500 5.115 4.883 5.457 . 0 0 "[ . 1]" 1
864 1 62 LEU HA 1 69 LEU H . . 4.050 2.727 2.555 2.983 . 0 0 "[ . 1]" 1
865 1 62 LEU HA 1 69 LEU QB . . 4.210 3.827 3.612 4.028 . 0 0 "[ . 1]" 1
866 1 62 LEU HA 1 69 LEU HG . . 4.970 2.807 2.564 3.005 . 0 0 "[ . 1]" 1
867 1 62 LEU HA 1 70 ASP H . . 5.500 4.627 4.392 4.904 . 0 0 "[ . 1]" 1
868 1 62 LEU QB 1 63 ASP H . . 3.330 2.805 2.595 2.993 . 0 0 "[ . 1]" 1
869 1 62 LEU QB 1 66 PHE HA . . 3.020 2.458 2.314 2.690 . 0 0 "[ . 1]" 1
870 1 62 LEU QB 1 66 PHE QD . . 2.640 3.668 2.952 4.211 1.571 2 8 "[ +* *****-]" 1
871 1 62 LEU QB 1 66 PHE QE . . 4.000 4.257 3.718 4.905 0.905 2 2 "[ + - 1]" 1
872 1 62 LEU QB 1 66 PHE H . . 4.170 3.824 3.481 4.081 . 0 0 "[ . 1]" 1
873 1 62 LEU QB 1 66 PHE HB2 . . 5.090 5.127 4.901 5.397 0.307 10 0 "[ . 1]" 1
874 1 62 LEU QB 1 66 PHE HB3 . . 4.560 4.718 4.419 4.910 0.350 2 0 "[ . 1]" 1
875 1 62 LEU QB 1 68 VAL HA . . 5.200 4.403 4.158 4.814 . 0 0 "[ . 1]" 1
876 1 62 LEU HG 1 66 PHE HA . . 3.730 2.775 1.956 3.146 . 0 0 "[ . 1]" 1
877 1 62 LEU HG 1 66 PHE HB3 . . 4.770 4.030 3.192 4.688 . 0 0 "[ . 1]" 1
878 1 62 LEU HG 1 66 PHE QD . . 3.940 3.217 2.512 3.870 . 0 0 "[ . 1]" 1
879 1 62 LEU HG 1 66 PHE QE . . 3.060 4.770 4.422 5.056 1.996 8 10 [*******+*-] 1
880 1 62 LEU HG 1 66 PHE HZ . . 5.500 6.555 6.486 6.630 1.130 1 10 [+****-****] 1
881 1 62 LEU QD 1 63 ASP H . . 4.060 3.418 3.091 3.711 . 0 0 "[ . 1]" 1
882 1 62 LEU QD 1 66 PHE HA . . 4.210 3.093 2.766 3.377 . 0 0 "[ . 1]" 1
883 1 62 LEU QD 1 66 PHE HB2 . . 5.500 4.667 4.355 4.943 . 0 0 "[ . 1]" 1
884 1 62 LEU QD 1 66 PHE HB3 . . 5.370 3.806 3.214 4.132 . 0 0 "[ . 1]" 1
885 1 62 LEU QD 1 66 PHE QD . . 5.300 2.178 1.545 2.709 . 0 0 "[ . 1]" 1
886 1 62 LEU QD 1 67 ARG HA . . 4.290 4.193 3.845 4.642 0.352 10 0 "[ . 1]" 1
887 1 62 LEU QD 1 68 VAL HA . . 2.550 1.661 1.496 1.890 . 0 0 "[ . 1]" 1
888 1 62 LEU QD 1 69 LEU H . . 5.500 2.604 2.382 2.712 . 0 0 "[ . 1]" 1
889 1 62 LEU QD 1 70 ASP H . . 4.970 4.046 3.934 4.221 . 0 0 "[ . 1]" 1
890 1 62 LEU QD 1 66 PHE QE . . 3.780 2.587 2.249 2.848 . 0 0 "[ . 1]" 1
891 1 63 ASP H 1 63 ASP QB . . 3.830 2.437 2.214 2.782 . 0 0 "[ . 1]" 1
892 1 63 ASP H 1 64 ARG H . . 4.630 4.427 4.309 4.540 . 0 0 "[ . 1]" 1
893 1 63 ASP H 1 66 PHE H . . 4.410 3.818 3.484 4.087 . 0 0 "[ . 1]" 1
894 1 63 ASP H 1 66 PHE HA . . 4.480 3.619 3.323 4.114 . 0 0 "[ . 1]" 1
895 1 63 ASP H 1 67 ARG H . . 3.670 2.879 2.690 3.072 . 0 0 "[ . 1]" 1
896 1 63 ASP H 1 68 VAL HA . . 5.450 4.158 3.749 4.564 . 0 0 "[ . 1]" 1
897 1 63 ASP H 1 69 LEU H . . 4.730 4.139 3.921 4.432 . 0 0 "[ . 1]" 1
898 1 63 ASP HA 1 64 ARG H . . 3.460 2.647 2.483 2.827 . 0 0 "[ . 1]" 1
899 1 63 ASP HA 1 69 LEU HG . . 4.100 3.771 3.414 4.043 . 0 0 "[ . 1]" 1
900 1 63 ASP HA 1 69 LEU QD . . 5.140 2.573 2.335 2.814 . 0 0 "[ . 1]" 1
901 1 63 ASP QB 1 64 ARG H . . 3.110 2.548 1.750 3.247 0.137 6 0 "[ . 1]" 1
902 1 63 ASP QB 1 64 ARG HG3 . . 4.460 3.868 2.684 5.014 0.554 4 1 "[ +. 1]" 1
903 1 63 ASP QB 1 65 ASP H . . 4.340 3.345 3.097 3.626 . 0 0 "[ . 1]" 1
904 1 63 ASP QB 1 69 LEU QB . . 5.500 4.310 4.091 4.572 . 0 0 "[ . 1]" 1
905 1 63 ASP QB 1 69 LEU HG . . 4.210 2.724 2.531 2.970 . 0 0 "[ . 1]" 1
906 1 63 ASP QB 1 69 LEU QD . . 2.400 1.661 1.335 2.051 . 0 0 "[ . 1]" 1
907 1 63 ASP QB 1 66 PHE H . . 5.500 4.118 3.567 4.772 . 0 0 "[ . 1]" 1
908 1 63 ASP QB 1 67 ARG H . . 5.500 3.217 2.105 4.372 . 0 0 "[ . 1]" 1
909 1 64 ARG H 1 64 ARG QB . . 3.280 2.603 2.393 2.831 . 0 0 "[ . 1]" 1
910 1 64 ARG H 1 64 ARG HD2 . . 5.500 4.220 3.933 4.647 . 0 0 "[ . 1]" 1
911 1 64 ARG H 1 64 ARG HD3 . . 5.500 4.194 3.571 4.650 . 0 0 "[ . 1]" 1
912 1 64 ARG H 1 64 ARG HG2 . . 2.770 3.208 2.808 3.642 0.872 4 3 "[ *+.- 1]" 1
913 1 64 ARG H 1 64 ARG HG3 . . 2.850 1.861 1.416 2.191 . 0 0 "[ . 1]" 1
914 1 64 ARG H 1 64 ARG QD . . 4.810 3.707 3.339 3.952 . 0 0 "[ . 1]" 1
915 1 64 ARG H 1 65 ASP H . . 3.550 2.736 2.512 3.009 . 0 0 "[ . 1]" 1
916 1 64 ARG H 1 66 PHE H . . 4.520 4.119 3.872 4.249 . 0 0 "[ . 1]" 1
917 1 64 ARG HA 1 64 ARG HD2 . . 5.500 4.631 4.409 4.785 . 0 0 "[ . 1]" 1
918 1 64 ARG HA 1 64 ARG HD3 . . 5.500 4.794 4.376 5.145 . 0 0 "[ . 1]" 1
919 1 64 ARG HA 1 64 ARG HG2 . . 2.850 2.859 2.667 3.216 0.366 6 0 "[ . 1]" 1
920 1 64 ARG HA 1 64 ARG QD . . 4.820 4.180 4.024 4.390 . 0 0 "[ . 1]" 1
921 1 64 ARG HA 1 66 PHE H . . 5.500 3.717 3.549 3.987 . 0 0 "[ . 1]" 1
922 1 64 ARG QB 1 64 ARG HG3 . . 2.400 2.419 2.343 2.522 0.122 6 0 "[ . 1]" 1
923 1 64 ARG QB 1 64 ARG HG2 . . 2.700 2.263 2.154 2.342 . 0 0 "[ . 1]" 1
924 1 64 ARG QB 1 64 ARG QD . . 3.490 2.302 2.122 2.449 . 0 0 "[ . 1]" 1
925 1 64 ARG QB 1 65 ASP H . . 4.250 2.770 2.315 3.150 . 0 0 "[ . 1]" 1
926 1 64 ARG HG3 1 65 ASP H . . 3.730 4.117 3.549 4.479 0.749 4 3 "[- *+. 1]" 1
927 1 64 ARG QG 1 65 ASP H . . 4.150 3.935 3.447 4.209 0.059 4 0 "[ . 1]" 1
928 1 64 ARG QG 1 66 PHE H . . 5.150 5.222 5.046 5.440 0.290 1 0 "[ . 1]" 1
929 1 64 ARG QG 1 69 LEU QD . . 5.000 4.768 4.528 5.260 0.260 4 0 "[ . 1]" 1
930 1 65 ASP H 1 65 ASP QB . . 3.670 2.389 2.258 2.566 . 0 0 "[ . 1]" 1
931 1 65 ASP H 1 67 ARG QB . . 5.340 4.105 3.806 4.470 . 0 0 "[ . 1]" 1
932 1 65 ASP HA 1 66 PHE HB3 . . 5.440 5.363 4.849 5.593 0.153 10 0 "[ . 1]" 1
933 1 65 ASP HA 1 66 PHE QD . . 5.500 4.378 3.633 5.132 . 0 0 "[ . 1]" 1
934 1 65 ASP HA 1 67 ARG H . . 4.780 4.590 4.419 4.835 0.055 6 0 "[ . 1]" 1
935 1 65 ASP QB 1 67 ARG H . . 4.800 3.324 2.921 3.739 . 0 0 "[ . 1]" 1
936 1 65 ASP QB 1 67 ARG HA . . 5.500 4.939 4.672 5.377 . 0 0 "[ . 1]" 1
937 1 65 ASP QB 1 66 PHE H . . 4.770 3.595 3.368 3.724 . 0 0 "[ . 1]" 1
938 1 66 PHE H 1 66 PHE HB2 . . 3.480 3.260 3.129 3.416 . 0 0 "[ . 1]" 1
939 1 66 PHE H 1 66 PHE HB3 . . 4.020 4.069 3.935 4.125 0.105 1 0 "[ . 1]" 1
940 1 66 PHE H 1 66 PHE QD . . 5.500 3.688 3.277 4.119 . 0 0 "[ . 1]" 1
941 1 66 PHE H 1 67 ARG H . . 3.250 2.594 2.492 2.700 . 0 0 "[ . 1]" 1
942 1 66 PHE H 1 67 ARG QB . . 4.360 4.410 4.204 4.613 0.253 6 0 "[ . 1]" 1
943 1 66 PHE HA 1 66 PHE QD . . 4.310 2.832 2.429 3.037 . 0 0 "[ . 1]" 1
944 1 66 PHE HA 1 66 PHE QE . . 5.500 4.381 4.253 4.500 . 0 0 "[ . 1]" 1
945 1 66 PHE HB2 1 67 ARG H . . 5.390 4.240 4.139 4.364 . 0 0 "[ . 1]" 1
946 1 66 PHE HB3 1 67 ARG H . . 4.830 4.219 4.008 4.354 . 0 0 "[ . 1]" 1
947 1 67 ARG H 1 67 ARG HB2 . . 3.560 2.523 2.111 2.918 . 0 0 "[ . 1]" 1
948 1 67 ARG H 1 67 ARG HB3 . . 3.560 2.878 2.301 3.551 . 0 0 "[ . 1]" 1
949 1 67 ARG H 1 67 ARG HD2 . . 5.500 4.439 2.861 5.819 0.319 7 0 "[ . 1]" 1
950 1 67 ARG H 1 67 ARG HD3 . . 5.500 4.631 2.318 5.925 0.425 2 0 "[ . 1]" 1
951 1 67 ARG H 1 67 ARG HG2 . . 5.500 4.410 4.209 4.660 . 0 0 "[ . 1]" 1
952 1 67 ARG H 1 67 ARG HG3 . . 5.500 4.293 3.347 4.605 . 0 0 "[ . 1]" 1
953 1 67 ARG H 1 67 ARG QB . . 3.030 2.255 2.085 2.338 . 0 0 "[ . 1]" 1
954 1 67 ARG HA 1 67 ARG HD2 . . 5.040 3.555 2.000 5.030 . 0 0 "[ . 1]" 1
955 1 67 ARG HA 1 67 ARG HD3 . . 5.040 3.968 2.918 4.956 . 0 0 "[ . 1]" 1
956 1 67 ARG HA 1 67 ARG QG . . 3.100 2.498 2.236 2.991 . 0 0 "[ . 1]" 1
957 1 67 ARG HA 1 68 VAL H . . 2.860 2.218 2.163 2.337 . 0 0 "[ . 1]" 1
958 1 67 ARG HD2 1 68 VAL H . . 5.500 4.651 2.296 5.974 0.474 4 0 "[ . 1]" 1
959 1 67 ARG HD3 1 68 VAL H . . 5.500 4.949 3.976 5.624 0.124 8 0 "[ . 1]" 1
960 1 67 ARG QB 1 67 ARG QD . . 3.300 2.292 2.080 2.582 . 0 0 "[ . 1]" 1
961 1 67 ARG QB 1 68 VAL H . . 3.960 3.407 2.661 3.799 . 0 0 "[ . 1]" 1
962 1 67 ARG QG 1 68 VAL H . . 2.530 2.968 2.365 3.821 1.291 4 4 "[ -+.* * 1]" 1
963 1 67 ARG QG 1 68 VAL HB . . 5.190 5.225 4.477 6.290 1.100 4 2 "[ +.- 1]" 1
964 1 67 ARG QG 1 68 VAL QG . . 3.410 3.473 2.763 4.464 1.054 4 3 "[ +.* - 1]" 1
965 1 68 VAL H 1 68 VAL HB . . 3.040 2.669 2.618 2.752 . 0 0 "[ . 1]" 1
966 1 68 VAL H 1 68 VAL QG . . 3.310 1.940 1.880 2.001 . 0 0 "[ . 1]" 1
967 1 68 VAL H 1 69 LEU H . . 4.560 4.475 4.401 4.562 0.002 3 0 "[ . 1]" 1
968 1 68 VAL HA 1 68 VAL HB . . 2.400 2.414 2.396 2.434 0.034 9 0 "[ . 1]" 1
969 1 68 VAL HA 1 68 VAL MG1 . . 3.450 3.216 3.211 3.225 . 0 0 "[ . 1]" 1
970 1 68 VAL HA 1 68 VAL MG2 . . 3.450 2.407 2.368 2.431 . 0 0 "[ . 1]" 1
971 1 68 VAL HA 1 68 VAL QG . . 2.410 2.343 2.310 2.362 . 0 0 "[ . 1]" 1
972 1 68 VAL HA 1 69 LEU H . . 3.350 2.128 2.112 2.162 . 0 0 "[ . 1]" 1
973 1 68 VAL HA 1 69 LEU QB . . 4.300 4.391 4.350 4.448 0.148 9 0 "[ . 1]" 1
974 1 68 VAL HA 1 69 LEU HG . . 5.500 3.992 3.851 4.144 . 0 0 "[ . 1]" 1
975 1 68 VAL HA 1 70 ASP H . . 4.230 4.130 3.839 4.459 0.229 3 0 "[ . 1]" 1
976 1 68 VAL HB 1 69 LEU H . . 4.730 4.242 4.160 4.314 . 0 0 "[ . 1]" 1
977 1 68 VAL HB 1 70 ASP H . . 5.500 5.637 5.306 5.931 0.431 3 0 "[ . 1]" 1
978 1 68 VAL QG 1 69 LEU H . . 2.690 2.791 2.572 2.968 0.278 1 0 "[ . 1]" 1
979 1 68 VAL QG 1 70 ASP H . . 2.740 3.100 2.803 3.453 0.713 2 3 "[ +-*. 1]" 1
980 1 68 VAL QG 1 70 ASP QB . . 5.280 4.542 4.245 4.893 . 0 0 "[ . 1]" 1
981 1 69 LEU H 1 69 LEU QB . . 3.850 2.442 2.393 2.511 . 0 0 "[ . 1]" 1
982 1 69 LEU H 1 69 LEU HG . . 5.120 2.601 2.434 2.920 . 0 0 "[ . 1]" 1
983 1 69 LEU H 1 69 LEU QD . . 3.970 3.227 3.124 3.342 . 0 0 "[ . 1]" 1
984 1 69 LEU H 1 70 ASP H . . 3.360 2.424 2.267 2.506 . 0 0 "[ . 1]" 1
985 1 69 LEU HA 1 69 LEU HG . . 3.750 3.151 3.080 3.227 . 0 0 "[ . 1]" 1
986 1 69 LEU HA 1 69 LEU QD . . 2.710 1.997 1.948 2.046 . 0 0 "[ . 1]" 1
987 1 69 LEU QB 1 69 LEU QD . . 2.600 1.946 1.930 1.953 . 0 0 "[ . 1]" 1
988 1 69 LEU QB 1 70 ASP H . . 3.610 2.243 2.120 2.431 . 0 0 "[ . 1]" 1
989 1 69 LEU QB 1 70 ASP QB . . 4.170 3.141 2.928 3.274 . 0 0 "[ . 1]" 1
990 1 69 LEU QD 1 70 ASP QB . . 5.340 4.244 4.008 4.391 . 0 0 "[ . 1]" 1
991 1 70 ASP H 1 70 ASP QB . . 3.700 2.837 2.527 2.971 . 0 0 "[ . 1]" 1
992 1 70 ASP H 1 71 THR H . . 4.410 4.327 4.228 4.380 . 0 0 "[ . 1]" 1
993 1 70 ASP HA 1 71 THR H . . 2.980 2.408 2.199 2.641 . 0 0 "[ . 1]" 1
994 1 70 ASP HB2 1 71 THR H . . 4.260 3.908 3.748 4.143 . 0 0 "[ . 1]" 1
995 1 70 ASP HB3 1 71 THR H . . 4.260 3.419 2.792 4.104 . 0 0 "[ . 1]" 1
996 1 70 ASP QB 1 71 THR H . . 3.670 3.189 2.719 3.615 . 0 0 "[ . 1]" 1
997 1 71 THR H 1 71 THR HB . . 3.980 3.214 2.643 3.871 . 0 0 "[ . 1]" 1
998 1 71 THR H 1 71 THR MG . . 3.920 3.619 3.113 3.977 0.057 4 0 "[ . 1]" 1
999 1 71 THR H 1 72 GLU H . . 4.310 4.064 3.879 4.277 . 0 0 "[ . 1]" 1
1000 1 71 THR HA 1 71 THR MG . . 3.300 2.313 2.268 2.355 . 0 0 "[ . 1]" 1
1001 1 71 THR HA 1 72 GLU H . . 2.720 2.162 2.133 2.176 . 0 0 "[ . 1]" 1
1002 1 71 THR HA 1 72 GLU QB . . 5.340 4.516 4.268 4.683 . 0 0 "[ . 1]" 1
1003 1 71 THR HB 1 72 GLU H . . 4.500 4.034 3.603 4.337 . 0 0 "[ . 1]" 1
1004 1 71 THR MG 1 72 GLU H . . 4.330 3.436 2.926 4.062 . 0 0 "[ . 1]" 1
1005 1 72 GLU H 1 72 GLU HG2 . . 5.100 2.540 2.200 3.375 . 0 0 "[ . 1]" 1
1006 1 72 GLU H 1 72 GLU HG3 . . 5.100 3.748 2.914 4.354 . 0 0 "[ . 1]" 1
1007 1 72 GLU H 1 72 GLU QB . . 3.700 2.941 2.346 3.160 . 0 0 "[ . 1]" 1
1008 1 72 GLU H 1 72 GLU QG . . 4.370 2.493 2.162 3.266 . 0 0 "[ . 1]" 1
1009 1 72 GLU HA 1 73 PRO QD . . 2.930 1.909 1.765 2.210 . 0 0 "[ . 1]" 1
1010 1 72 GLU QB 1 73 PRO HA . . 4.690 4.678 4.406 4.900 0.210 6 0 "[ . 1]" 1
1011 1 72 GLU QB 1 73 PRO QD . . 2.470 2.678 1.906 3.437 0.967 2 3 "[ + .* -1]" 1
1012 1 73 PRO HA 1 74 ALA H . . 2.750 2.200 2.141 2.270 . 0 0 "[ . 1]" 1
1013 1 73 PRO HA 1 74 ALA MB . . 4.430 4.010 3.893 4.160 . 0 0 "[ . 1]" 1
1014 1 73 PRO QD 1 74 ALA H . . 5.500 4.825 4.507 5.007 . 0 0 "[ . 1]" 1
1015 1 73 PRO QG 1 74 ALA H . . 4.580 4.784 4.428 5.007 0.427 2 0 "[ . 1]" 1
1016 1 74 ALA H 1 74 ALA MB . . 3.460 2.422 2.277 2.649 . 0 0 "[ . 1]" 1
1017 1 74 ALA HA 1 75 ASP H . . 3.160 2.240 2.124 2.471 . 0 0 "[ . 1]" 1
1018 1 74 ALA MB 1 75 ASP H . . 3.550 2.989 2.183 3.548 . 0 0 "[ . 1]" 1
1019 1 75 ASP H 1 75 ASP QB . . 2.980 2.523 2.292 2.914 . 0 0 "[ . 1]" 1
1020 1 75 ASP QB 1 76 GLY H . . 4.260 3.414 2.097 3.912 . 0 0 "[ . 1]" 1
1021 1 77 ASP H 1 77 ASP QB . . 3.450 2.346 2.253 2.514 . 0 0 "[ . 1]" 1
1022 1 78 GLY QA 1 79 GLY H . . 3.020 2.495 2.170 2.813 . 0 0 "[ . 1]" 1
1023 1 79 GLY H 1 80 LEU H . . 4.390 4.155 2.955 4.568 0.178 6 0 "[ . 1]" 1
1024 1 80 LEU H 1 80 LEU HG . . 5.500 3.096 2.453 4.590 . 0 0 "[ . 1]" 1
1025 1 80 LEU H 1 80 LEU QB . . 3.640 2.555 2.294 3.179 . 0 0 "[ . 1]" 1
1026 1 80 LEU H 1 80 LEU MD1 . . 4.560 4.024 3.679 4.462 . 0 0 "[ . 1]" 1
1027 1 80 LEU H 1 80 LEU MD2 . . 4.000 3.348 1.481 4.116 0.116 2 0 "[ . 1]" 1
1028 1 80 LEU HA 1 80 LEU MD1 . . 4.020 3.871 3.510 4.103 0.083 10 0 "[ . 1]" 1
1029 1 80 LEU HA 1 80 LEU MD2 . . 3.670 2.454 1.923 3.584 . 0 0 "[ . 1]" 1
1030 1 80 LEU HB2 1 80 LEU HG . . 2.900 2.510 2.448 2.688 . 0 0 "[ . 1]" 1
1031 1 80 LEU QB 1 80 LEU QD . . 2.290 1.933 1.877 1.951 . 0 0 "[ . 1]" 1
1032 1 81 GLU HA 1 81 GLU QB . . 2.510 2.341 2.171 2.495 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 32
_Distance_constraint_stats_list.Viol_total 152.099
_Distance_constraint_stats_list.Viol_max 0.997
_Distance_constraint_stats_list.Viol_rms 0.3369
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2535
_Distance_constraint_stats_list.Viol_average_violations_only 0.4753
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 31 THR 1.660 0.356 6 0 "[ . 1]"
1 33 GLY 13.549 0.997 8 8 "[* ***-*+*1]"
1 49 LEU 13.549 0.997 8 8 "[* ***-*+*1]"
1 51 THR 1.660 0.356 6 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 31 THR N 1 51 THR O . . 3.000 2.826 2.700 3.007 0.007 2 0 "[ . 1]" 2
2 1 31 THR H 1 51 THR O . . 2.000 1.927 1.762 2.232 0.232 2 0 "[ . 1]" 2
3 1 31 THR O 1 51 THR N . . 3.000 2.956 2.750 3.250 0.250 6 0 "[ . 1]" 2
4 1 31 THR O 1 51 THR H . . 2.000 2.014 1.802 2.356 0.356 6 0 "[ . 1]" 2
5 1 33 GLY N 1 49 LEU O . . 3.000 3.659 3.237 3.964 0.964 8 8 "[* ***-*+*1]" 2
6 1 33 GLY H 1 49 LEU O . . 2.000 2.696 2.254 2.997 0.997 8 8 "[- *****+*1]" 2
stop_
save_
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