NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
579259 |
2mq0   |
25007 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mq0
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 2039
_Distance_constraint_stats_list.Viol_count 5055
_Distance_constraint_stats_list.Viol_total 20865.711
_Distance_constraint_stats_list.Viol_max 1.991
_Distance_constraint_stats_list.Viol_rms 0.2544
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1023
_Distance_constraint_stats_list.Viol_average_violations_only 0.4128
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 HIS 0.000 0.000 . 0 "[ . 1]"
1 4 MET 18.496 1.553 9 8 "[*** -* *+*]"
1 5 PRO 2.881 0.314 6 0 "[ . 1]"
1 6 VAL 65.684 1.804 10 10 [*********+]
1 7 LEU 66.242 1.991 5 10 [****+-****]
1 8 ILE 63.620 1.342 10 10 [*****-***+]
1 9 THR 36.268 1.353 7 7 "[ **** +**1]"
1 10 ARG 6.923 0.645 10 4 "[ *- . * +]"
1 11 PRO 18.712 1.324 8 8 "[****.**+ -]"
1 12 LEU 69.849 1.452 8 10 [*******+**]
1 13 GLU 23.126 1.199 4 9 [***+*-***1]
1 14 ASP 25.711 1.223 6 8 "[ * **+**-*]"
1 15 GLN 50.841 1.350 5 10 [****+-****]
1 16 LEU 57.944 1.720 5 10 [****+**-**]
1 17 VAL 56.243 1.601 3 10 [**+*******]
1 18 MET 66.342 1.601 3 10 [**+**-****]
1 19 VAL 54.878 1.502 6 10 [*****+***-]
1 20 GLY 37.626 1.303 6 10 [-****+****]
1 21 GLN 56.181 1.189 4 10 [***+**-***]
1 22 ARG 37.144 1.817 10 10 [**-******+]
1 23 VAL 86.249 1.820 10 10 [*****-***+]
1 24 GLU 25.946 1.140 4 10 [*-*+******]
1 25 PHE 90.656 1.955 2 10 [*+********]
1 26 GLU 38.384 1.523 1 10 [+*****-***]
1 27 CYS 24.694 1.009 10 8 "[- *** ***+]"
1 28 GLU 23.996 1.050 2 10 [*+****-***]
1 29 VAL 37.944 1.353 7 9 [****.*+-**]
1 30 SER 63.118 1.991 5 10 [****+-****]
1 31 GLU 38.937 1.553 9 10 [*******-+*]
1 32 GLU 5.770 0.939 9 4 "[ *-. *+1]"
1 33 GLY 3.506 0.844 9 3 "[ -*. +1]"
1 34 ALA 14.480 1.392 9 8 "[**- *** +*]"
1 35 GLN 13.624 1.340 5 10 [-***+*****]
1 36 VAL 25.295 1.070 10 9 "[****** *-+]"
1 37 LYS 33.069 1.975 9 8 "[- * ****+*]"
1 38 TRP 136.122 1.913 7 10 [**-***+***]
1 39 LEU 88.516 1.729 9 10 [*****-**+*]
1 40 LYS 44.873 1.474 8 9 "[** ****+*-]"
1 41 ASP 18.078 1.474 8 9 "[** *-**+**]"
1 42 GLY 12.639 1.208 6 8 "[ * *-+****]"
1 43 VAL 17.203 1.004 5 3 "[ +- * 1]"
1 44 GLU 35.215 1.975 9 9 "[- ******+*]"
1 45 LEU 23.381 1.175 5 6 "[* - +* **1]"
1 46 THR 56.979 1.588 9 10 [**-*****+*]
1 47 ARG 30.620 1.086 8 8 "[ ***** +*-]"
1 48 GLU 18.358 1.086 8 6 "[* ** +-*]"
1 49 GLU 12.455 0.886 6 4 "[ * *+ -]"
1 50 THR 46.290 1.551 3 10 [**+**-****]
1 51 PHE 5.666 0.653 5 1 "[ + 1]"
1 52 LYS 72.501 1.743 3 10 [**+**-****]
1 53 TYR 32.993 1.525 5 10 [****+**-**]
1 54 ARG 46.420 1.551 3 10 [**+*-*****]
1 55 PHE 73.289 1.588 9 10 [********+-]
1 56 LYS 61.407 1.714 5 10 [**-*+*****]
1 57 LYS 42.560 1.506 8 10 [**-****+**]
1 58 ASP 28.878 1.524 10 10 [*-*******+]
1 59 GLY 15.893 1.149 7 8 "[ *-**+***]"
1 60 GLN 36.186 1.093 3 10 [**+****-**]
1 61 ARG 26.328 1.524 10 9 [****.**-*+]
1 62 HIS 61.340 1.252 9 10 [*-******+*]
1 63 HIS 88.620 1.913 7 10 [******+-**]
1 64 LEU 61.315 1.452 8 10 [******-+**]
1 65 ILE 114.013 1.817 10 10 [*****-***+]
1 66 ILE 131.860 1.820 10 10 [****-****+]
1 67 ASN 46.013 1.315 7 10 [**-***+***]
1 68 GLU 75.922 1.743 3 10 [**+*-*****]
1 69 ALA 85.564 1.251 4 10 [*-*+******]
1 70 MET 41.128 1.303 6 8 "[****.+-* *]"
1 71 LEU 47.863 1.502 6 10 [*****+**-*]
1 72 GLU 7.959 0.331 3 0 "[ . 1]"
1 73 ASP 63.589 1.251 4 10 [***+**-***]
1 74 ALA 57.332 1.527 2 10 [*+*-******]
1 75 GLY 32.559 1.333 3 10 [**+***-***]
1 76 HIS 17.389 0.898 7 10 [******+**-]
1 77 TYR 44.689 1.955 2 10 [*+******-*]
1 78 ALA 41.952 1.270 9 10 [-*******+*]
1 79 LEU 40.745 1.729 9 9 "[*-* ****+*]"
1 80 CYS 38.949 1.453 9 9 "[*- *****+*]"
1 81 THR 59.587 1.253 7 10 [*****-+***]
1 82 SER 32.957 1.340 5 10 [****+****-]
1 83 GLY 39.632 1.804 10 10 [*****-***+]
1 84 GLY 44.069 1.188 7 10 [*-****+***]
1 85 GLN 49.325 1.342 10 10 [*****-***+]
1 86 ALA 50.763 1.050 2 10 [*+*****-**]
1 87 LEU 44.999 1.324 8 9 "[*******+ -]"
1 88 ALA 36.062 0.895 7 10 [*-****+***]
1 89 GLU 31.135 1.223 6 9 "[** **+****]"
1 90 LEU 37.797 1.350 5 10 [****+-****]
1 91 ILE 72.953 1.720 5 10 [**-*+*****]
1 92 VAL 74.691 1.099 3 10 [**+***-***]
1 93 GLN 50.777 1.376 6 10 [***-*+****]
1 94 GLU 30.674 1.228 3 9 "[ *+***-***]"
1 95 LYS 26.758 1.228 3 10 [**+****-**]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 HIS HA 1 4 MET H . . 3.500 2.503 2.117 3.464 . 0 0 "[ . 1]" 1
2 1 3 HIS QB 1 4 MET H . . 4.370 3.526 2.682 4.005 . 0 0 "[ . 1]" 1
3 1 4 MET H 1 5 PRO QD . . 4.040 4.150 3.834 4.340 0.300 8 0 "[ . 1]" 1
4 1 4 MET ME 1 31 GLU HA . . 4.300 5.080 3.626 5.853 1.553 9 7 "[* * -* *+*]" 1
5 1 4 MET ME 1 31 GLU QB . . 3.140 3.916 2.263 4.538 1.398 8 7 "[**- .* +**]" 1
6 1 5 PRO HA 1 6 VAL H . . 2.400 2.198 2.141 2.348 . 0 0 "[ . 1]" 1
7 1 5 PRO HA 1 6 VAL QG . . 4.050 3.609 3.513 3.825 . 0 0 "[ . 1]" 1
8 1 5 PRO QB 1 6 VAL H . . 3.380 3.193 2.825 3.309 . 0 0 "[ . 1]" 1
9 1 5 PRO QB 1 83 GLY H . . 5.060 4.497 3.810 5.141 0.081 7 0 "[ . 1]" 1
10 1 5 PRO QB 1 83 GLY QA . . 3.750 2.805 2.093 3.505 . 0 0 "[ . 1]" 1
11 1 5 PRO QB 1 84 GLY H . . 5.490 4.241 3.380 4.869 . 0 0 "[ . 1]" 1
12 1 5 PRO QG 1 6 VAL H . . 4.570 4.704 4.498 4.884 0.314 6 0 "[ . 1]" 1
13 1 5 PRO QG 1 83 GLY QA . . 5.370 4.202 3.688 4.874 . 0 0 "[ . 1]" 1
14 1 6 VAL H 1 6 VAL HB . . 2.740 2.514 2.453 2.565 . 0 0 "[ . 1]" 1
15 1 6 VAL H 1 6 VAL QG . . 2.660 2.138 2.036 2.261 . 0 0 "[ . 1]" 1
16 1 6 VAL H 1 7 LEU H . . 4.780 4.354 4.327 4.425 . 0 0 "[ . 1]" 1
17 1 6 VAL H 1 34 ALA MB . . 5.300 5.436 4.924 5.736 0.436 6 0 "[ . 1]" 1
18 1 6 VAL H 1 82 SER H . . 4.450 3.931 3.240 4.451 0.001 5 0 "[ . 1]" 1
19 1 6 VAL H 1 82 SER QB . . 3.980 1.771 1.703 1.943 . 0 0 "[ . 1]" 1
20 1 6 VAL H 1 83 GLY H . . 4.030 4.746 3.918 5.215 1.185 2 7 "[*+ * -***]" 1
21 1 6 VAL H 1 83 GLY QA . . 3.800 4.782 4.113 5.604 1.804 10 9 "[**-** ***+]" 1
22 1 6 VAL H 1 84 GLY H . . 5.060 4.710 3.621 5.349 0.289 2 0 "[ . 1]" 1
23 1 6 VAL HA 1 6 VAL QG . . 3.100 2.129 2.120 2.137 . 0 0 "[ . 1]" 1
24 1 6 VAL HA 1 7 LEU H . . 2.920 2.123 2.110 2.145 . 0 0 "[ . 1]" 1
25 1 6 VAL HA 1 7 LEU HA . . 4.630 4.384 4.375 4.402 . 0 0 "[ . 1]" 1
26 1 6 VAL HA 1 29 VAL HB . . 5.110 4.462 4.088 5.100 . 0 0 "[ . 1]" 1
27 1 6 VAL HA 1 31 GLU H . . 4.410 4.466 3.680 5.142 0.732 9 1 "[ . +1]" 1
28 1 6 VAL HA 1 81 THR HB . . 5.450 5.432 4.771 6.092 0.642 8 1 "[ . + 1]" 1
29 1 6 VAL HA 1 82 SER H . . 5.040 5.620 5.261 5.940 0.900 5 6 "[* - +* **1]" 1
30 1 6 VAL HB 1 7 LEU H . . 4.300 4.363 4.305 4.394 0.094 1 0 "[ . 1]" 1
31 1 6 VAL HB 1 29 VAL QG . . 4.740 4.054 3.739 4.317 . 0 0 "[ . 1]" 1
32 1 6 VAL HB 1 30 SER H . . 5.050 5.268 4.950 5.622 0.572 9 2 "[ -. +1]" 1
33 1 6 VAL HB 1 34 ALA MB . . 4.060 3.821 3.606 4.022 . 0 0 "[ . 1]" 1
34 1 6 VAL HB 1 81 THR HB . . 3.490 2.764 1.775 3.820 0.330 8 0 "[ . 1]" 1
35 1 6 VAL HB 1 82 SER H . . 3.600 2.782 2.530 3.007 . 0 0 "[ . 1]" 1
36 1 6 VAL HB 1 82 SER QB . . 4.830 2.523 1.786 3.370 . 0 0 "[ . 1]" 1
37 1 6 VAL HB 1 83 GLY H . . 3.570 4.699 4.329 4.985 1.415 5 10 [****+*-***] 1
38 1 6 VAL HB 1 84 GLY H . . 4.180 4.464 3.986 4.755 0.575 5 3 "[ - + * 1]" 1
39 1 6 VAL QG 1 7 LEU H . . 2.920 2.989 2.890 3.054 0.134 3 0 "[ . 1]" 1
40 1 6 VAL QG 1 7 LEU HA . . 3.850 3.953 3.824 4.106 0.256 4 0 "[ . 1]" 1
41 1 6 VAL QG 1 29 VAL H . . 5.270 4.805 4.690 4.914 . 0 0 "[ . 1]" 1
42 1 6 VAL QG 1 29 VAL HA . . 3.800 3.560 3.243 3.769 . 0 0 "[ . 1]" 1
43 1 6 VAL QG 1 29 VAL HB . . 2.850 1.858 1.782 1.979 . 0 0 "[ . 1]" 1
44 1 6 VAL QG 1 29 VAL QG . . 3.260 2.238 1.968 2.499 . 0 0 "[ . 1]" 1
45 1 6 VAL QG 1 30 SER H . . 2.760 2.567 2.253 2.952 0.192 4 0 "[ . 1]" 1
46 1 6 VAL QG 1 30 SER QB . . 4.350 3.251 2.298 4.384 0.034 4 0 "[ . 1]" 1
47 1 6 VAL QG 1 31 GLU H . . 2.870 2.476 1.962 3.007 0.137 4 0 "[ . 1]" 1
48 1 6 VAL QG 1 31 GLU QB . . 3.300 2.201 1.827 2.571 . 0 0 "[ . 1]" 1
49 1 6 VAL QG 1 31 GLU QG . . 3.640 3.514 2.613 3.811 0.171 10 0 "[ . 1]" 1
50 1 6 VAL QG 1 32 GLU H . . 5.500 5.255 4.853 5.514 0.014 6 0 "[ . 1]" 1
51 1 6 VAL QG 1 34 ALA H . . 4.730 4.432 4.160 4.626 . 0 0 "[ . 1]" 1
52 1 6 VAL QG 1 34 ALA MB . . 2.700 2.007 1.682 2.264 . 0 0 "[ . 1]" 1
53 1 6 VAL QG 1 36 VAL QG . . 3.950 3.266 2.604 3.984 0.034 5 0 "[ . 1]" 1
54 1 6 VAL QG 1 81 THR HA . . 4.160 4.571 4.017 5.077 0.917 8 4 "[ ** +-1]" 1
55 1 6 VAL QG 1 81 THR HB . . 3.590 3.153 2.525 4.077 0.487 8 0 "[ . 1]" 1
56 1 6 VAL QG 1 81 THR MG . . 2.720 2.710 2.391 2.992 0.272 1 0 "[ . 1]" 1
57 1 6 VAL QG 1 82 SER H . . 3.840 3.235 2.545 3.573 . 0 0 "[ . 1]" 1
58 1 6 VAL QG 1 82 SER QB . . 4.050 2.347 1.970 3.023 . 0 0 "[ . 1]" 1
59 1 6 VAL QG 1 83 GLY H . . 4.420 4.899 4.509 5.173 0.753 5 5 "[ +- ***]" 1
60 1 6 VAL QG 1 84 GLY H . . 4.270 4.647 4.335 4.894 0.624 5 4 "[ + **-]" 1
61 1 6 VAL QG 1 84 GLY QA . . 4.640 4.387 4.166 4.536 . 0 0 "[ . 1]" 1
62 1 7 LEU H 1 7 LEU QB . . 3.050 2.293 2.253 2.354 . 0 0 "[ . 1]" 1
63 1 7 LEU H 1 7 LEU QD . . 4.270 3.785 3.748 3.831 . 0 0 "[ . 1]" 1
64 1 7 LEU H 1 7 LEU HG . . 3.660 4.442 4.405 4.466 0.806 2 10 [*+**-*****] 1
65 1 7 LEU H 1 8 ILE QG . . 5.500 5.159 4.881 5.355 . 0 0 "[ . 1]" 1
66 1 7 LEU H 1 29 VAL HA . . 4.600 4.991 4.584 5.625 1.025 6 3 "[ - .+ *1]" 1
67 1 7 LEU H 1 29 VAL HB . . 4.000 4.456 3.803 5.225 1.225 6 4 "[ - .+ **1]" 1
68 1 7 LEU H 1 29 VAL QG . . 5.080 4.658 4.218 5.229 0.149 6 0 "[ . 1]" 1
69 1 7 LEU H 1 30 SER H . . 3.370 3.190 2.786 3.832 0.462 9 0 "[ . 1]" 1
70 1 7 LEU H 1 30 SER HA . . 4.390 5.000 4.514 5.874 1.484 9 5 "[ **.* -+1]" 1
71 1 7 LEU H 1 30 SER HB2 . . 3.640 3.340 2.585 4.235 0.595 4 2 "[ +. -1]" 1
72 1 7 LEU H 1 30 SER QB . . 2.890 2.832 2.532 3.539 0.649 4 1 "[ +. 1]" 1
73 1 7 LEU H 1 30 SER HB3 . . 3.640 3.429 2.876 4.132 0.492 3 0 "[ . 1]" 1
74 1 7 LEU H 1 31 GLU H . . 4.140 4.914 4.333 5.439 1.299 9 7 "[** *** -+1]" 1
75 1 7 LEU H 1 31 GLU QB . . 4.910 5.148 4.675 5.714 0.804 6 2 "[ -+ 1]" 1
76 1 7 LEU HA 1 7 LEU QD . . 3.050 2.058 2.016 2.110 . 0 0 "[ . 1]" 1
77 1 7 LEU HA 1 7 LEU HG . . 3.770 3.107 3.082 3.132 . 0 0 "[ . 1]" 1
78 1 7 LEU HA 1 8 ILE H . . 2.620 2.220 2.116 2.405 . 0 0 "[ . 1]" 1
79 1 7 LEU HA 1 8 ILE HB . . 4.980 4.728 4.651 4.820 . 0 0 "[ . 1]" 1
80 1 7 LEU HA 1 8 ILE MD . . 5.290 4.860 4.678 5.049 . 0 0 "[ . 1]" 1
81 1 7 LEU HA 1 8 ILE QG . . 4.180 3.383 3.174 3.569 . 0 0 "[ . 1]" 1
82 1 7 LEU HA 1 8 ILE MG . . 5.500 5.426 5.393 5.471 . 0 0 "[ . 1]" 1
83 1 7 LEU HA 1 30 SER H . . 5.010 4.835 4.735 5.038 0.028 9 0 "[ . 1]" 1
84 1 7 LEU HA 1 85 GLN H . . 4.530 4.875 4.497 5.456 0.926 10 2 "[ -. +]" 1
85 1 7 LEU QB 1 7 LEU QD . . 2.880 1.942 1.935 1.950 . 0 0 "[ . 1]" 1
86 1 7 LEU QB 1 8 ILE H . . 3.500 3.564 3.292 3.763 0.263 4 0 "[ . 1]" 1
87 1 7 LEU QB 1 9 THR MG . . 4.480 3.638 3.234 4.477 . 0 0 "[ . 1]" 1
88 1 7 LEU QB 1 30 SER H . . 4.730 3.912 3.408 4.202 . 0 0 "[ . 1]" 1
89 1 7 LEU QB 1 30 SER HA . . 5.160 4.932 4.571 5.392 0.232 9 0 "[ . 1]" 1
90 1 7 LEU QB 1 30 SER HB2 . . 4.120 3.817 2.806 4.362 0.242 5 0 "[ . 1]" 1
91 1 7 LEU QB 1 30 SER QB . . 3.520 3.101 2.454 3.901 0.381 5 0 "[ . 1]" 1
92 1 7 LEU QB 1 30 SER HB3 . . 4.120 3.532 2.482 4.397 0.277 5 0 "[ . 1]" 1
93 1 7 LEU QB 1 84 GLY H . . 5.500 6.163 5.618 6.546 1.046 4 7 "[ -+** ***]" 1
94 1 7 LEU QD 1 8 ILE H . . 2.880 2.186 2.042 2.377 . 0 0 "[ . 1]" 1
95 1 7 LEU QD 1 9 THR HA . . 4.810 3.869 3.441 4.216 . 0 0 "[ . 1]" 1
96 1 7 LEU QD 1 30 SER QB . . 4.120 4.154 3.364 4.918 0.798 5 3 "[ * + - 1]" 1
97 1 7 LEU QD 1 84 GLY QA . . 4.540 2.826 2.115 3.596 . 0 0 "[ . 1]" 1
98 1 7 LEU QD 1 85 GLN H . . 4.690 3.662 2.833 4.518 . 0 0 "[ . 1]" 1
99 1 7 LEU HG 1 8 ILE HA . . 4.390 4.213 4.064 4.404 0.014 7 0 "[ . 1]" 1
100 1 7 LEU HG 1 9 THR H . . 4.680 4.283 3.917 4.535 . 0 0 "[ . 1]" 1
101 1 7 LEU HG 1 30 SER QB . . 4.040 5.076 4.335 6.031 1.991 5 7 "[*** +-** 1]" 1
102 1 8 ILE H 1 8 ILE HB . . 2.820 2.592 2.548 2.638 . 0 0 "[ . 1]" 1
103 1 8 ILE H 1 8 ILE MD . . 3.780 3.668 3.584 3.806 0.026 10 0 "[ . 1]" 1
104 1 8 ILE H 1 8 ILE QG . . 3.090 2.220 2.069 2.452 . 0 0 "[ . 1]" 1
105 1 8 ILE H 1 9 THR MG . . 4.970 4.929 4.657 6.064 1.094 7 1 "[ . + 1]" 1
106 1 8 ILE H 1 29 VAL HA . . 4.610 4.713 4.561 4.846 0.236 8 0 "[ . 1]" 1
107 1 8 ILE H 1 29 VAL HB . . 5.500 5.570 5.109 6.183 0.683 8 1 "[ . + 1]" 1
108 1 8 ILE H 1 30 SER QB . . 5.180 5.893 5.287 6.451 1.271 5 7 "[-***+ ** 1]" 1
109 1 8 ILE H 1 84 GLY H . . 4.970 5.525 4.706 6.006 1.036 10 6 "[ ***- * +]" 1
110 1 8 ILE H 1 84 GLY QA . . 4.880 3.104 2.366 3.557 . 0 0 "[ . 1]" 1
111 1 8 ILE H 1 85 GLN H . . 3.640 4.391 3.819 4.982 1.342 10 9 "[*****- **+]" 1
112 1 8 ILE HA 1 8 ILE MD . . 3.810 3.870 3.835 3.897 0.087 4 0 "[ . 1]" 1
113 1 8 ILE HA 1 8 ILE MG . . 3.380 2.336 2.296 2.366 . 0 0 "[ . 1]" 1
114 1 8 ILE HA 1 9 THR H . . 2.570 2.162 2.128 2.208 . 0 0 "[ . 1]" 1
115 1 8 ILE HA 1 9 THR MG . . 4.540 4.104 3.842 5.298 0.758 7 1 "[ . + 1]" 1
116 1 8 ILE HA 1 10 ARG H . . 3.840 3.662 3.368 4.033 0.193 3 0 "[ . 1]" 1
117 1 8 ILE HA 1 29 VAL H . . 4.760 4.786 4.683 4.873 0.113 2 0 "[ . 1]" 1
118 1 8 ILE HA 1 29 VAL HA . . 3.130 2.277 2.109 2.445 . 0 0 "[ . 1]" 1
119 1 8 ILE HA 1 29 VAL HB . . 4.540 3.945 3.590 4.434 . 0 0 "[ . 1]" 1
120 1 8 ILE HA 1 29 VAL QG . . 3.300 2.379 1.904 2.710 . 0 0 "[ . 1]" 1
121 1 8 ILE HB 1 8 ILE MD . . 3.410 2.426 2.406 2.443 . 0 0 "[ . 1]" 1
122 1 8 ILE HB 1 9 THR H . . 4.680 4.328 4.262 4.383 . 0 0 "[ . 1]" 1
123 1 8 ILE HB 1 11 PRO HA . . 4.770 4.384 3.955 4.833 0.063 6 0 "[ . 1]" 1
124 1 8 ILE HB 1 29 VAL HA . . 5.050 5.280 5.086 5.454 0.404 8 0 "[ . 1]" 1
125 1 8 ILE HB 1 86 ALA MB . . 3.760 2.777 2.446 3.402 . 0 0 "[ . 1]" 1
126 1 8 ILE MD 1 8 ILE MG . . 2.860 1.939 1.909 1.991 . 0 0 "[ . 1]" 1
127 1 8 ILE MD 1 11 PRO HA . . 4.590 4.374 3.793 5.109 0.519 6 1 "[ .+ 1]" 1
128 1 8 ILE MD 1 12 LEU H . . 5.000 5.088 4.471 5.694 0.694 6 1 "[ .+ 1]" 1
129 1 8 ILE MD 1 27 CYS QB . . 4.790 3.929 3.490 4.840 0.050 10 0 "[ . 1]" 1
130 1 8 ILE MD 1 79 LEU H . . 4.010 4.086 3.460 4.590 0.580 10 1 "[ . +]" 1
131 1 8 ILE MD 1 79 LEU HA . . 4.590 4.621 4.292 5.110 0.520 10 1 "[ . +]" 1
132 1 8 ILE MD 1 79 LEU HB3 . . 3.870 2.379 1.947 2.815 . 0 0 "[ . 1]" 1
133 1 8 ILE MD 1 79 LEU QD . . 3.580 1.923 1.772 2.213 . 0 0 "[ . 1]" 1
134 1 8 ILE MD 1 80 CYS HA . . 4.060 4.339 3.938 4.844 0.784 10 2 "[ . - +]" 1
135 1 8 ILE MD 1 81 THR H . . 3.640 3.918 3.538 4.183 0.543 10 2 "[ - . +]" 1
136 1 8 ILE MD 1 81 THR MG . . 3.010 2.654 1.995 3.468 0.458 8 0 "[ . 1]" 1
137 1 8 ILE MD 1 84 GLY H . . 4.670 4.516 4.239 4.877 0.207 2 0 "[ . 1]" 1
138 1 8 ILE MD 1 84 GLY QA . . 4.060 3.483 3.051 3.849 . 0 0 "[ . 1]" 1
139 1 8 ILE MD 1 85 GLN H . . 3.420 3.597 2.977 4.031 0.611 2 2 "[ +- . 1]" 1
140 1 8 ILE MD 1 85 GLN HA . . 3.350 2.993 2.548 3.252 . 0 0 "[ . 1]" 1
141 1 8 ILE MD 1 85 GLN QB . . 4.320 4.376 4.103 4.652 0.332 2 0 "[ . 1]" 1
142 1 8 ILE MD 1 86 ALA H . . 3.050 2.579 2.234 3.152 0.102 8 0 "[ . 1]" 1
143 1 8 ILE MD 1 86 ALA HA . . 4.300 3.768 3.580 3.898 . 0 0 "[ . 1]" 1
144 1 8 ILE MD 1 86 ALA MB . . 2.930 2.051 1.947 2.117 . 0 0 "[ . 1]" 1
145 1 8 ILE MD 1 87 LEU H . . 5.070 5.313 5.228 5.475 0.405 8 0 "[ . 1]" 1
146 1 8 ILE QG 1 8 ILE MG . . 3.210 2.316 2.287 2.339 . 0 0 "[ . 1]" 1
147 1 8 ILE QG 1 9 THR H . . 4.960 4.360 4.273 4.437 . 0 0 "[ . 1]" 1
148 1 8 ILE QG 1 81 THR MG . . 2.680 2.633 2.246 2.915 0.235 5 0 "[ . 1]" 1
149 1 8 ILE QG 1 84 GLY H . . 5.360 4.394 4.037 4.698 . 0 0 "[ . 1]" 1
150 1 8 ILE QG 1 84 GLY QA . . 4.880 2.737 2.408 3.101 . 0 0 "[ . 1]" 1
151 1 8 ILE QG 1 85 GLN H . . 4.100 4.058 3.641 4.267 0.167 9 0 "[ . 1]" 1
152 1 8 ILE QG 1 86 ALA H . . 5.340 4.659 4.319 5.280 . 0 0 "[ . 1]" 1
153 1 8 ILE QG 1 86 ALA MB . . 4.230 3.656 3.513 3.809 . 0 0 "[ . 1]" 1
154 1 8 ILE MG 1 9 THR H . . 3.060 3.137 2.936 3.318 0.258 4 0 "[ . 1]" 1
155 1 8 ILE MG 1 10 ARG H . . 2.860 2.630 2.213 3.037 0.177 2 0 "[ . 1]" 1
156 1 8 ILE MG 1 10 ARG QG . . 4.430 4.334 4.086 4.591 0.161 7 0 "[ . 1]" 1
157 1 8 ILE MG 1 11 PRO HA . . 2.840 2.831 2.238 3.382 0.542 6 2 "[ .+ - 1]" 1
158 1 8 ILE MG 1 11 PRO QB . . 4.640 4.221 3.617 4.761 0.121 6 0 "[ . 1]" 1
159 1 8 ILE MG 1 12 LEU H . . 4.400 4.229 3.776 4.592 0.192 6 0 "[ . 1]" 1
160 1 8 ILE MG 1 12 LEU QD . . 4.910 3.144 2.718 3.932 . 0 0 "[ . 1]" 1
161 1 8 ILE MG 1 27 CYS HA . . 4.550 3.637 3.300 4.160 . 0 0 "[ . 1]" 1
162 1 8 ILE MG 1 27 CYS QB . . 3.810 2.833 2.313 4.016 0.206 10 0 "[ . 1]" 1
163 1 8 ILE MG 1 28 GLU H . . 3.560 3.074 2.774 3.321 . 0 0 "[ . 1]" 1
164 1 8 ILE MG 1 28 GLU QB . . 3.920 4.261 4.063 4.365 0.445 1 0 "[ . 1]" 1
165 1 8 ILE MG 1 29 VAL HA . . 4.100 3.674 3.304 3.987 . 0 0 "[ . 1]" 1
166 1 8 ILE MG 1 79 LEU HB2 . . 5.240 4.751 4.291 5.277 0.037 10 0 "[ . 1]" 1
167 1 8 ILE MG 1 79 LEU QD . . 4.400 2.661 2.381 3.094 . 0 0 "[ . 1]" 1
168 1 8 ILE MG 1 85 GLN H . . 5.420 5.688 5.413 6.090 0.670 3 2 "[ -+ . 1]" 1
169 1 8 ILE MG 1 86 ALA HA . . 4.510 4.715 4.286 5.161 0.651 3 1 "[ + . 1]" 1
170 1 8 ILE MG 1 86 ALA MB . . 2.870 2.350 2.030 2.625 . 0 0 "[ . 1]" 1
171 1 9 THR H 1 9 THR HB . . 3.840 3.518 2.850 3.626 . 0 0 "[ . 1]" 1
172 1 9 THR H 1 9 THR MG . . 3.000 2.641 2.321 3.704 0.704 7 1 "[ . + 1]" 1
173 1 9 THR H 1 10 ARG H . . 2.490 2.414 2.274 2.548 0.058 6 0 "[ . 1]" 1
174 1 9 THR H 1 10 ARG HA . . 5.500 5.086 4.964 5.207 . 0 0 "[ . 1]" 1
175 1 9 THR H 1 28 GLU QB . . 4.000 3.601 3.236 3.919 . 0 0 "[ . 1]" 1
176 1 9 THR H 1 29 VAL HA . . 2.860 2.549 2.160 2.923 0.063 2 0 "[ . 1]" 1
177 1 9 THR H 1 30 SER QB . . 4.770 5.300 4.367 6.001 1.231 2 4 "[ +- * * 1]" 1
178 1 9 THR H 1 60 GLN QE . . 5.500 5.796 5.286 6.077 0.577 8 2 "[ -. + 1]" 1
179 1 9 THR HA 1 9 THR HB . . 2.840 2.582 2.502 2.986 0.146 7 0 "[ . 1]" 1
180 1 9 THR HA 1 9 THR MG . . 2.670 2.273 2.195 2.326 . 0 0 "[ . 1]" 1
181 1 9 THR HA 1 10 ARG H . . 3.570 3.465 3.384 3.544 . 0 0 "[ . 1]" 1
182 1 9 THR HA 1 29 VAL HA . . 5.500 5.302 4.812 5.715 0.215 2 0 "[ . 1]" 1
183 1 9 THR HB 1 10 ARG H . . 4.180 3.675 3.300 4.010 . 0 0 "[ . 1]" 1
184 1 9 THR HB 1 10 ARG QB . . 5.340 4.215 3.616 4.464 . 0 0 "[ . 1]" 1
185 1 9 THR HB 1 28 GLU QB . . 4.830 3.890 2.557 4.360 . 0 0 "[ . 1]" 1
186 1 9 THR MG 1 10 ARG H . . 3.940 4.068 3.916 4.243 0.303 1 0 "[ . 1]" 1
187 1 9 THR MG 1 28 GLU H . . 5.500 5.870 5.539 6.075 0.575 4 3 "[ +. - *1]" 1
188 1 9 THR MG 1 28 GLU QB . . 4.490 4.104 3.725 4.401 . 0 0 "[ . 1]" 1
189 1 9 THR MG 1 29 VAL HA . . 3.830 3.840 3.478 4.776 0.946 7 1 "[ . + 1]" 1
190 1 9 THR MG 1 29 VAL HB . . 5.190 5.556 5.032 6.543 1.353 7 3 "[ * . +- 1]" 1
191 1 9 THR MG 1 30 SER HA . . 3.050 3.570 2.757 4.383 1.333 7 5 "[ ***- + 1]" 1
192 1 9 THR MG 1 30 SER QB . . 3.450 3.651 2.269 4.506 1.056 5 5 "[ ** + *- 1]" 1
193 1 9 THR MG 1 60 GLN QE . . 4.150 4.362 3.791 4.898 0.748 4 1 "[ +. 1]" 1
194 1 10 ARG H 1 10 ARG QB . . 2.870 2.418 2.247 2.645 . 0 0 "[ . 1]" 1
195 1 10 ARG H 1 10 ARG QD . . 4.890 4.500 4.350 4.660 . 0 0 "[ . 1]" 1
196 1 10 ARG H 1 10 ARG QG . . 4.320 4.004 3.829 4.209 . 0 0 "[ . 1]" 1
197 1 10 ARG H 1 28 GLU H . . 3.060 2.715 2.445 2.958 . 0 0 "[ . 1]" 1
198 1 10 ARG H 1 28 GLU QB . . 3.160 2.704 2.310 3.184 0.024 1 0 "[ . 1]" 1
199 1 10 ARG H 1 29 VAL HA . . 4.700 4.339 4.002 4.750 0.050 3 0 "[ . 1]" 1
200 1 10 ARG H 1 29 VAL QG . . 5.400 4.596 4.234 4.942 . 0 0 "[ . 1]" 1
201 1 10 ARG H 1 86 ALA MB . . 5.400 5.605 4.864 6.045 0.645 10 3 "[ *- . +]" 1
202 1 10 ARG HA 1 10 ARG QG . . 3.600 3.078 2.816 3.175 . 0 0 "[ . 1]" 1
203 1 10 ARG HA 1 11 PRO QG . . 4.320 3.793 3.729 3.847 . 0 0 "[ . 1]" 1
204 1 10 ARG HA 1 28 GLU H . . 5.150 4.299 4.187 4.400 . 0 0 "[ . 1]" 1
205 1 10 ARG QB 1 28 GLU H . . 3.080 1.810 1.712 2.035 . 0 0 "[ . 1]" 1
206 1 10 ARG QB 1 28 GLU QG . . 3.430 2.295 1.982 2.659 . 0 0 "[ . 1]" 1
207 1 10 ARG QD 1 11 PRO HA . . 4.870 4.826 4.420 5.409 0.539 7 1 "[ . + 1]" 1
208 1 10 ARG QD 1 11 PRO QB . . 4.590 4.299 3.940 4.767 0.177 6 0 "[ . 1]" 1
209 1 10 ARG QD 1 11 PRO QD . . 4.060 2.196 1.954 2.550 . 0 0 "[ . 1]" 1
210 1 10 ARG QD 1 11 PRO QG . . 4.180 3.823 3.039 4.344 0.164 2 0 "[ . 1]" 1
211 1 10 ARG QD 1 28 GLU H . . 5.020 4.643 4.385 5.032 0.012 7 0 "[ . 1]" 1
212 1 11 PRO HA 1 12 LEU H . . 2.540 2.373 2.250 2.444 . 0 0 "[ . 1]" 1
213 1 11 PRO HA 1 12 LEU HA . . 4.490 4.290 4.256 4.320 . 0 0 "[ . 1]" 1
214 1 11 PRO HA 1 12 LEU QD . . 5.120 3.199 2.779 4.113 . 0 0 "[ . 1]" 1
215 1 11 PRO HA 1 28 GLU H . . 5.000 5.336 4.909 5.830 0.830 1 3 "[+ - . * 1]" 1
216 1 11 PRO HA 1 86 ALA MB . . 3.190 2.525 1.844 3.089 . 0 0 "[ . 1]" 1
217 1 11 PRO HA 1 87 LEU H . . 4.880 5.289 4.373 6.021 1.141 8 5 "[ ***. + -]" 1
218 1 11 PRO QB 1 12 LEU H . . 2.780 2.682 2.510 2.967 0.187 3 0 "[ . 1]" 1
219 1 11 PRO QB 1 12 LEU QD . . 4.680 3.929 3.394 4.710 0.030 1 0 "[ . 1]" 1
220 1 11 PRO QB 1 86 ALA HA . . 4.670 4.359 3.377 5.549 0.879 8 2 "[ .- + 1]" 1
221 1 11 PRO QB 1 86 ALA MB . . 3.370 3.017 2.118 4.045 0.675 8 2 "[ .- + 1]" 1
222 1 11 PRO QB 1 87 LEU H . . 4.500 4.361 2.860 5.824 1.324 8 2 "[ .- + 1]" 1
223 1 11 PRO QG 1 12 LEU H . . 4.560 4.401 4.185 4.647 0.087 3 0 "[ . 1]" 1
224 1 12 LEU H 1 12 LEU QB . . 2.570 2.359 2.169 2.550 . 0 0 "[ . 1]" 1
225 1 12 LEU H 1 12 LEU QD . . 3.230 2.237 1.749 3.211 . 0 0 "[ . 1]" 1
226 1 12 LEU H 1 12 LEU HG . . 4.400 3.697 2.340 4.171 . 0 0 "[ . 1]" 1
227 1 12 LEU H 1 13 GLU H . . 4.660 4.585 4.541 4.626 . 0 0 "[ . 1]" 1
228 1 12 LEU H 1 27 CYS QB . . 4.440 4.620 3.870 5.190 0.750 8 2 "[ . -+ 1]" 1
229 1 12 LEU H 1 86 ALA HA . . 4.530 4.885 3.887 5.470 0.940 2 4 "[ + .**- 1]" 1
230 1 12 LEU H 1 86 ALA MB . . 2.770 2.601 1.790 3.025 0.255 6 0 "[ . 1]" 1
231 1 12 LEU H 1 87 LEU H . . 4.360 4.527 3.613 5.348 0.988 2 2 "[ + . - 1]" 1
232 1 12 LEU H 1 87 LEU HA . . 5.190 5.689 5.014 6.306 1.116 8 4 "[ * -.* + 1]" 1
233 1 12 LEU H 1 88 ALA H . . 5.500 5.771 5.095 6.262 0.762 8 3 "[ .* + -]" 1
234 1 12 LEU H 1 88 ALA MB . . 4.020 3.777 2.969 4.471 0.451 10 0 "[ . 1]" 1
235 1 12 LEU HA 1 12 LEU QD . . 2.920 1.955 1.817 2.272 . 0 0 "[ . 1]" 1
236 1 12 LEU HA 1 13 GLU H . . 2.550 2.437 2.348 2.538 . 0 0 "[ . 1]" 1
237 1 12 LEU HA 1 25 PHE QD . . 4.340 3.765 3.386 4.290 . 0 0 "[ . 1]" 1
238 1 12 LEU HA 1 26 GLU H . . 3.750 4.010 3.466 4.832 1.082 10 2 "[ .- +]" 1
239 1 12 LEU HA 1 27 CYS H . . 4.930 5.559 5.210 5.939 1.009 10 5 "[* * . -* +]" 1
240 1 12 LEU HA 1 86 ALA MB . . 4.450 4.657 3.969 5.166 0.716 2 1 "[ + . 1]" 1
241 1 12 LEU HA 1 88 ALA MB . . 4.030 3.983 3.749 4.225 0.195 5 0 "[ . 1]" 1
242 1 12 LEU QB 1 12 LEU QD . . 2.820 2.020 1.948 2.059 . 0 0 "[ . 1]" 1
243 1 12 LEU QB 1 13 GLU H . . 2.850 2.310 2.093 2.489 . 0 0 "[ . 1]" 1
244 1 12 LEU QB 1 25 PHE QB . . 5.120 3.421 2.746 4.085 . 0 0 "[ . 1]" 1
245 1 12 LEU QB 1 25 PHE QE . . 4.890 3.738 3.048 4.311 . 0 0 "[ . 1]" 1
246 1 12 LEU QB 1 88 ALA H . . 4.040 3.892 3.524 4.168 0.128 6 0 "[ . 1]" 1
247 1 12 LEU QB 1 88 ALA HA . . 3.830 3.404 2.858 3.989 0.159 9 0 "[ . 1]" 1
248 1 12 LEU QD 1 13 GLU H . . 3.270 3.229 2.545 3.741 0.471 8 0 "[ . 1]" 1
249 1 12 LEU QD 1 25 PHE HA . . 4.480 4.233 3.517 5.057 0.577 8 1 "[ . + 1]" 1
250 1 12 LEU QD 1 25 PHE QB . . 3.040 2.396 1.761 3.430 0.390 8 0 "[ . 1]" 1
251 1 12 LEU QD 1 25 PHE QD . . 3.390 3.304 2.796 3.713 0.323 9 0 "[ . 1]" 1
252 1 12 LEU QD 1 25 PHE HZ . . 5.440 5.918 5.482 6.200 0.760 9 5 "[ * *- * +1]" 1
253 1 12 LEU QD 1 26 GLU H . . 3.640 4.042 3.225 5.045 1.405 8 5 "[- . *+**]" 1
254 1 12 LEU QD 1 26 GLU HA . . 4.760 4.546 3.663 5.387 0.627 8 1 "[ . + 1]" 1
255 1 12 LEU QD 1 27 CYS H . . 4.270 4.215 3.624 4.891 0.621 8 1 "[ . + 1]" 1
256 1 12 LEU QD 1 27 CYS HA . . 4.180 3.351 3.095 3.743 . 0 0 "[ . 1]" 1
257 1 12 LEU QD 1 27 CYS QB . . 3.050 1.914 1.773 2.335 . 0 0 "[ . 1]" 1
258 1 12 LEU QD 1 38 TRP HH2 . . 3.170 2.097 1.800 2.855 . 0 0 "[ . 1]" 1
259 1 12 LEU QD 1 38 TRP HZ2 . . 5.040 3.707 3.124 4.263 . 0 0 "[ . 1]" 1
260 1 12 LEU QD 1 38 TRP HZ3 . . 4.650 2.594 1.962 3.110 . 0 0 "[ . 1]" 1
261 1 12 LEU QD 1 64 LEU H . . 4.490 4.995 4.268 5.942 1.452 8 5 "[* . *+-*]" 1
262 1 12 LEU QD 1 64 LEU QD . . 4.460 4.103 3.698 4.605 0.145 1 0 "[ . 1]" 1
263 1 12 LEU QD 1 77 TYR HA . . 5.440 5.311 4.367 6.270 0.830 6 2 "[ - .+ 1]" 1
264 1 12 LEU QD 1 77 TYR QB . . 4.110 3.463 2.519 4.202 0.092 6 0 "[ . 1]" 1
265 1 12 LEU QD 1 78 ALA HA . . 3.470 3.444 2.361 4.517 1.047 6 3 "[ *-.+ 1]" 1
266 1 12 LEU QD 1 79 LEU H . . 3.000 2.810 1.941 3.785 0.785 6 1 "[ .+ 1]" 1
267 1 12 LEU QD 1 79 LEU HA . . 5.020 3.982 3.404 4.550 . 0 0 "[ . 1]" 1
268 1 12 LEU QD 1 79 LEU HB3 . . 4.300 2.747 2.420 3.001 . 0 0 "[ . 1]" 1
269 1 12 LEU QD 1 79 LEU QD . . 4.490 2.433 2.204 2.723 . 0 0 "[ . 1]" 1
270 1 12 LEU QD 1 86 ALA H . . 4.920 4.083 3.889 4.291 . 0 0 "[ . 1]" 1
271 1 12 LEU QD 1 86 ALA HA . . 4.850 4.169 3.871 4.613 . 0 0 "[ . 1]" 1
272 1 12 LEU QD 1 86 ALA MB . . 3.000 2.163 1.782 2.553 . 0 0 "[ . 1]" 1
273 1 12 LEU QD 1 87 LEU H . . 3.980 3.929 3.539 4.562 0.582 2 1 "[ + . 1]" 1
274 1 12 LEU QD 1 87 LEU HA . . 3.730 3.527 2.753 4.415 0.685 6 1 "[ .+ 1]" 1
275 1 12 LEU QD 1 88 ALA H . . 4.080 3.551 2.768 4.620 0.540 6 1 "[ .+ 1]" 1
276 1 12 LEU QD 1 88 ALA HA . . 4.640 4.300 3.805 4.879 0.239 2 0 "[ . 1]" 1
277 1 12 LEU HG 1 27 CYS QB . . 4.740 4.121 3.642 4.472 . 0 0 "[ . 1]" 1
278 1 12 LEU HG 1 78 ALA HA . . 5.130 5.002 4.099 6.230 1.100 8 1 "[ . + 1]" 1
279 1 13 GLU H 1 13 GLU QB . . 2.800 2.164 2.034 2.430 . 0 0 "[ . 1]" 1
280 1 13 GLU H 1 13 GLU QG . . 4.240 3.598 2.380 4.080 . 0 0 "[ . 1]" 1
281 1 13 GLU H 1 15 GLN QE . . 4.670 4.594 4.245 5.055 0.385 7 0 "[ . 1]" 1
282 1 13 GLU H 1 25 PHE QB . . 4.670 3.236 2.784 3.605 . 0 0 "[ . 1]" 1
283 1 13 GLU H 1 25 PHE QD . . 3.780 1.862 1.730 2.136 . 0 0 "[ . 1]" 1
284 1 13 GLU H 1 25 PHE QE . . 3.620 3.654 3.213 4.094 0.474 6 0 "[ . 1]" 1
285 1 13 GLU H 1 27 CYS QB . . 4.930 5.378 4.716 5.809 0.879 8 5 "[ *** +-1]" 1
286 1 13 GLU H 1 88 ALA MB . . 3.350 3.512 3.076 4.220 0.870 5 1 "[ + 1]" 1
287 1 13 GLU H 1 89 GLU H . . 5.500 6.248 5.670 6.536 1.036 1 7 "[+* -.****1]" 1
288 1 13 GLU HA 1 13 GLU QG . . 3.810 2.635 2.242 3.084 . 0 0 "[ . 1]" 1
289 1 13 GLU HA 1 14 ASP H . . 2.400 2.279 2.156 2.431 0.031 10 0 "[ . 1]" 1
290 1 13 GLU QB 1 14 ASP H . . 4.370 2.920 2.221 3.307 . 0 0 "[ . 1]" 1
291 1 13 GLU QB 1 15 GLN H . . 3.900 2.835 2.477 3.206 . 0 0 "[ . 1]" 1
292 1 13 GLU QB 1 15 GLN QE . . 3.120 1.878 1.698 2.442 . 0 0 "[ . 1]" 1
293 1 13 GLU QB 1 24 GLU H . . 5.500 5.266 4.837 5.606 0.106 10 0 "[ . 1]" 1
294 1 13 GLU QB 1 25 PHE QB . . 4.930 3.709 3.035 4.141 . 0 0 "[ . 1]" 1
295 1 13 GLU QB 1 25 PHE QD . . 5.280 2.276 1.589 2.958 . 0 0 "[ . 1]" 1
296 1 13 GLU QB 1 25 PHE HZ . . 5.500 4.640 4.277 5.243 . 0 0 "[ . 1]" 1
297 1 13 GLU QB 1 89 GLU H . . 5.500 5.921 5.417 6.236 0.736 7 4 "[ * .-+ *1]" 1
298 1 13 GLU QG 1 14 ASP H . . 3.080 2.845 1.789 4.279 1.199 4 1 "[ +. 1]" 1
299 1 13 GLU QG 1 15 GLN QE . . 4.350 2.454 1.873 3.921 . 0 0 "[ . 1]" 1
300 1 13 GLU QG 1 25 PHE QE . . 5.500 4.731 4.134 5.267 . 0 0 "[ . 1]" 1
301 1 14 ASP H 1 14 ASP QB . . 3.320 2.748 2.686 2.835 . 0 0 "[ . 1]" 1
302 1 14 ASP H 1 15 GLN H . . 3.520 2.643 2.550 2.826 . 0 0 "[ . 1]" 1
303 1 14 ASP H 1 15 GLN QE . . 5.130 3.907 3.581 4.176 . 0 0 "[ . 1]" 1
304 1 14 ASP HA 1 15 GLN H . . 2.960 3.188 3.132 3.231 0.271 10 0 "[ . 1]" 1
305 1 14 ASP HA 1 15 GLN QE . . 5.010 5.041 4.825 5.187 0.177 3 0 "[ . 1]" 1
306 1 14 ASP HA 1 88 ALA HA . . 4.040 4.435 3.742 4.935 0.895 7 5 "[ * -*+* 1]" 1
307 1 14 ASP HA 1 89 GLU H . . 2.840 3.595 3.041 4.019 1.179 7 7 "[ * ***+*-1]" 1
308 1 14 ASP QB 1 89 GLU H . . 4.110 4.995 4.446 5.333 1.223 6 8 "[ * **+**-*]" 1
309 1 15 GLN H 1 15 GLN HB3 . . 4.030 2.847 2.757 2.978 . 0 0 "[ . 1]" 1
310 1 15 GLN H 1 15 GLN QE . . 3.520 2.427 2.252 2.588 . 0 0 "[ . 1]" 1
311 1 15 GLN H 1 15 GLN QG . . 3.430 3.400 3.303 3.482 0.052 7 0 "[ . 1]" 1
312 1 15 GLN H 1 16 LEU H . . 4.670 4.469 4.459 4.477 . 0 0 "[ . 1]" 1
313 1 15 GLN H 1 25 PHE QD . . 5.260 5.349 5.089 5.919 0.659 7 1 "[ . + 1]" 1
314 1 15 GLN H 1 90 LEU QD . . 3.970 4.418 3.968 4.985 1.015 5 3 "[ +- *]" 1
315 1 15 GLN HA 1 15 GLN QG . . 3.310 3.386 3.310 3.473 0.163 10 0 "[ . 1]" 1
316 1 15 GLN HA 1 16 LEU H . . 2.400 2.275 2.225 2.324 . 0 0 "[ . 1]" 1
317 1 15 GLN HA 1 16 LEU HA . . 4.420 4.269 4.166 4.328 . 0 0 "[ . 1]" 1
318 1 15 GLN HA 1 16 LEU HB2 . . 5.470 5.433 5.378 5.488 0.018 7 0 "[ . 1]" 1
319 1 15 GLN HA 1 16 LEU HB3 . . 4.220 4.056 3.962 4.220 . 0 0 "[ . 1]" 1
320 1 15 GLN HA 1 16 LEU QD . . 4.210 3.031 2.385 3.322 . 0 0 "[ . 1]" 1
321 1 15 GLN HB2 1 15 GLN QE . . 4.350 4.003 3.947 4.078 . 0 0 "[ . 1]" 1
322 1 15 GLN HB2 1 16 LEU H . . 2.930 2.636 2.581 2.729 . 0 0 "[ . 1]" 1
323 1 15 GLN HB3 1 16 LEU H . . 4.250 3.950 3.908 4.000 . 0 0 "[ . 1]" 1
324 1 15 GLN QE 1 16 LEU H . . 4.790 4.311 4.231 4.451 . 0 0 "[ . 1]" 1
325 1 15 GLN QE 1 23 VAL HA . . 5.400 4.977 4.623 5.272 . 0 0 "[ . 1]" 1
326 1 15 GLN QE 1 23 VAL QG . . 3.690 2.617 2.293 2.987 . 0 0 "[ . 1]" 1
327 1 15 GLN QE 1 24 GLU H . . 4.050 4.318 3.878 4.546 0.496 4 0 "[ . 1]" 1
328 1 15 GLN QE 1 24 GLU HA . . 5.260 5.981 5.609 6.199 0.939 1 8 "[+ **.*-***]" 1
329 1 15 GLN QE 1 25 PHE H . . 5.280 5.852 5.649 6.020 0.740 3 8 "[* +*.**-**]" 1
330 1 15 GLN QE 1 25 PHE HA . . 3.890 4.237 4.032 4.382 0.492 2 0 "[ . 1]" 1
331 1 15 GLN QE 1 25 PHE QB . . 5.500 5.343 5.076 5.558 0.058 7 0 "[ . 1]" 1
332 1 15 GLN QE 1 25 PHE QD . . 4.640 4.064 3.385 4.612 . 0 0 "[ . 1]" 1
333 1 15 GLN QE 1 26 GLU H . . 5.120 5.541 5.217 5.807 0.687 2 6 "[*+**. -* 1]" 1
334 1 15 GLN QE 1 90 LEU HA . . 5.210 5.036 4.664 5.586 0.376 8 0 "[ . 1]" 1
335 1 15 GLN QE 1 90 LEU QD . . 4.280 3.218 2.868 3.704 . 0 0 "[ . 1]" 1
336 1 15 GLN QG 1 16 LEU H . . 2.980 3.080 2.923 3.428 0.448 10 0 "[ . 1]" 1
337 1 15 GLN QG 1 16 LEU HA . . 3.390 3.929 3.701 4.119 0.729 3 5 "[* +-.* *]" 1
338 1 15 GLN QG 1 17 VAL HA . . 4.920 4.826 4.425 5.241 0.321 10 0 "[ . 1]" 1
339 1 15 GLN QG 1 17 VAL QG . . 3.370 3.080 2.830 3.247 . 0 0 "[ . 1]" 1
340 1 15 GLN QG 1 23 VAL QG . . 4.680 3.653 3.201 4.275 . 0 0 "[ . 1]" 1
341 1 15 GLN QG 1 90 LEU QD . . 3.170 4.174 3.912 4.520 1.350 5 10 [-***+*****] 1
342 1 16 LEU H 1 16 LEU HB2 . . 3.930 3.699 3.626 3.792 . 0 0 "[ . 1]" 1
343 1 16 LEU H 1 16 LEU HB3 . . 2.750 2.800 2.552 3.085 0.335 10 0 "[ . 1]" 1
344 1 16 LEU H 1 16 LEU QD . . 3.080 1.724 1.692 1.774 . 0 0 "[ . 1]" 1
345 1 16 LEU H 1 17 VAL H . . 4.550 4.518 4.466 4.567 0.017 1 0 "[ . 1]" 1
346 1 16 LEU H 1 17 VAL QG . . 4.590 4.358 4.261 4.527 . 0 0 "[ . 1]" 1
347 1 16 LEU H 1 91 ILE H . . 5.070 4.900 4.759 5.206 0.136 8 0 "[ . 1]" 1
348 1 16 LEU HA 1 16 LEU HG . . 3.880 3.745 3.705 3.781 . 0 0 "[ . 1]" 1
349 1 16 LEU HA 1 17 VAL H . . 2.590 2.251 2.211 2.273 . 0 0 "[ . 1]" 1
350 1 16 LEU HA 1 17 VAL HA . . 4.560 4.402 4.376 4.419 . 0 0 "[ . 1]" 1
351 1 16 LEU HA 1 17 VAL QG . . 3.680 3.190 3.095 3.306 . 0 0 "[ . 1]" 1
352 1 16 LEU HA 1 90 LEU QD . . 3.280 2.127 1.779 2.733 . 0 0 "[ . 1]" 1
353 1 16 LEU HA 1 91 ILE H . . 3.180 2.707 2.330 3.395 0.215 8 0 "[ . 1]" 1
354 1 16 LEU HA 1 91 ILE HB . . 4.200 4.197 3.013 5.413 1.213 8 3 "[ - + *]" 1
355 1 16 LEU HA 1 91 ILE MD . . 4.300 4.563 3.337 6.020 1.720 5 4 "[- + **1]" 1
356 1 16 LEU HA 1 92 VAL QG . . 5.410 4.557 4.389 4.763 . 0 0 "[ . 1]" 1
357 1 16 LEU HB2 1 16 LEU QD . . 3.010 2.226 2.139 2.266 . 0 0 "[ . 1]" 1
358 1 16 LEU HB2 1 17 VAL H . . 4.330 2.855 2.814 2.934 . 0 0 "[ . 1]" 1
359 1 16 LEU HB2 1 91 ILE H . . 3.110 2.616 2.069 3.544 0.434 3 0 "[ . 1]" 1
360 1 16 LEU HB2 1 91 ILE HA . . 5.390 4.289 4.049 4.564 . 0 0 "[ . 1]" 1
361 1 16 LEU HB2 1 91 ILE HB . . 3.690 2.397 1.960 3.197 . 0 0 "[ . 1]" 1
362 1 16 LEU HB3 1 16 LEU QD . . 2.640 2.104 2.070 2.126 . 0 0 "[ . 1]" 1
363 1 16 LEU HB3 1 17 VAL H . . 4.800 4.047 3.910 4.137 . 0 0 "[ . 1]" 1
364 1 16 LEU HB3 1 91 ILE H . . 4.310 2.783 1.910 3.709 . 0 0 "[ . 1]" 1
365 1 16 LEU HB3 1 91 ILE MD . . 3.580 3.003 2.381 4.029 0.449 5 0 "[ . 1]" 1
366 1 16 LEU HB3 1 91 ILE MG . . 4.500 4.180 3.587 4.877 0.377 8 0 "[ . 1]" 1
367 1 16 LEU QD 1 17 VAL H . . 4.200 4.003 3.970 4.076 . 0 0 "[ . 1]" 1
368 1 16 LEU QD 1 18 MET ME . . 3.140 4.113 3.281 4.545 1.405 6 9 "[ ****+*-**]" 1
369 1 16 LEU QD 1 18 MET QG . . 4.980 4.796 3.954 5.305 0.325 5 0 "[ . 1]" 1
370 1 16 LEU QD 1 91 ILE H . . 3.990 3.722 2.918 4.622 0.632 3 1 "[ + . 1]" 1
371 1 16 LEU QD 1 91 ILE HB . . 3.060 2.256 1.755 3.221 0.161 3 0 "[ . 1]" 1
372 1 16 LEU QD 1 92 VAL HA . . 4.640 4.410 4.005 4.784 0.144 3 0 "[ . 1]" 1
373 1 16 LEU QD 1 93 GLN H . . 5.270 4.613 4.266 4.880 . 0 0 "[ . 1]" 1
374 1 16 LEU QD 1 93 GLN QE . . 3.560 2.262 1.774 2.903 . 0 0 "[ . 1]" 1
375 1 16 LEU QD 1 93 GLN QG . . 3.250 3.360 2.572 3.984 0.734 1 4 "[+ - .* *1]" 1
376 1 16 LEU HG 1 17 VAL H . . 3.130 3.911 3.739 4.364 1.234 10 10 [*****-***+] 1
377 1 16 LEU HG 1 91 ILE H . . 5.500 4.969 4.451 5.699 0.199 3 0 "[ . 1]" 1
378 1 16 LEU HG 1 91 ILE HB . . 4.100 4.205 3.885 4.527 0.427 3 0 "[ . 1]" 1
379 1 16 LEU HG 1 91 ILE MG . . 3.950 4.775 4.349 5.169 1.219 10 9 "[*** **-**+]" 1
380 1 16 LEU HG 1 93 GLN QE . . 4.530 2.918 2.341 3.533 . 0 0 "[ . 1]" 1
381 1 16 LEU HG 1 93 GLN QG . . 4.630 5.197 3.519 6.006 1.376 6 5 "[* * .+ -*1]" 1
382 1 17 VAL H 1 17 VAL QG . . 2.650 2.067 2.009 2.116 . 0 0 "[ . 1]" 1
383 1 17 VAL H 1 18 MET H . . 4.410 4.421 4.383 4.443 0.033 5 0 "[ . 1]" 1
384 1 17 VAL H 1 18 MET ME . . 4.400 5.515 4.378 6.001 1.601 3 9 [-*+*.*****] 1
385 1 17 VAL H 1 18 MET QG . . 5.340 5.599 4.929 6.077 0.737 9 4 "[ * * +-]" 1
386 1 17 VAL H 1 90 LEU QD . . 3.580 2.534 2.184 3.050 . 0 0 "[ . 1]" 1
387 1 17 VAL H 1 91 ILE H . . 3.020 3.731 3.468 4.180 1.160 8 8 "[**- ***+ *]" 1
388 1 17 VAL H 1 91 ILE HB . . 4.780 4.896 4.114 5.828 1.048 8 3 "[ - + *]" 1
389 1 17 VAL H 1 91 ILE MG . . 5.090 5.273 4.510 5.873 0.783 8 3 "[ * + -]" 1
390 1 17 VAL H 1 92 VAL H . . 5.180 5.197 4.781 5.761 0.581 8 1 "[ . + 1]" 1
391 1 17 VAL H 1 92 VAL QG . . 4.080 3.241 3.065 3.455 . 0 0 "[ . 1]" 1
392 1 17 VAL HA 1 17 VAL HB . . 2.840 2.475 2.466 2.481 . 0 0 "[ . 1]" 1
393 1 17 VAL HA 1 17 VAL QG . . 2.760 2.275 2.248 2.297 . 0 0 "[ . 1]" 1
394 1 17 VAL HA 1 18 MET H . . 2.750 2.556 2.522 2.598 . 0 0 "[ . 1]" 1
395 1 17 VAL HA 1 18 MET HB2 . . 5.300 4.670 4.439 4.833 . 0 0 "[ . 1]" 1
396 1 17 VAL HA 1 18 MET QG . . 4.630 4.160 3.393 4.562 . 0 0 "[ . 1]" 1
397 1 17 VAL HA 1 21 GLN QE . . 3.710 3.492 2.968 4.376 0.666 4 1 "[ +. 1]" 1
398 1 17 VAL HA 1 21 GLN QG . . 4.850 4.901 4.411 5.363 0.513 7 1 "[ . + 1]" 1
399 1 17 VAL HB 1 18 MET H . . 2.470 2.026 2.000 2.060 . 0 0 "[ . 1]" 1
400 1 17 VAL HB 1 18 MET HA . . 4.950 4.498 4.449 4.527 . 0 0 "[ . 1]" 1
401 1 17 VAL HB 1 21 GLN H . . 4.590 4.648 4.336 4.978 0.388 7 0 "[ . 1]" 1
402 1 17 VAL HB 1 23 VAL HA . . 4.730 5.030 4.564 5.680 0.950 8 2 "[ - + 1]" 1
403 1 17 VAL HB 1 23 VAL QG . . 3.910 3.886 2.848 4.329 0.419 10 0 "[ . 1]" 1
404 1 17 VAL HB 1 69 ALA MB . . 4.600 4.108 3.712 4.326 . 0 0 "[ . 1]" 1
405 1 17 VAL QG 1 18 MET H . . 3.160 2.917 2.882 2.944 . 0 0 "[ . 1]" 1
406 1 17 VAL QG 1 18 MET HA . . 4.940 3.870 3.784 4.010 . 0 0 "[ . 1]" 1
407 1 17 VAL QG 1 18 MET ME . . 4.590 4.353 3.117 4.698 0.108 9 0 "[ . 1]" 1
408 1 17 VAL QG 1 19 VAL HA . . 5.000 4.592 4.457 4.677 . 0 0 "[ . 1]" 1
409 1 17 VAL QG 1 20 GLY H . . 5.260 5.097 4.749 5.455 0.195 7 0 "[ . 1]" 1
410 1 17 VAL QG 1 21 GLN H . . 4.420 4.235 3.726 4.674 0.254 7 0 "[ . 1]" 1
411 1 17 VAL QG 1 21 GLN HA . . 5.500 5.070 4.540 5.737 0.237 7 0 "[ . 1]" 1
412 1 17 VAL QG 1 21 GLN QB . . 4.140 3.332 2.869 3.841 . 0 0 "[ . 1]" 1
413 1 17 VAL QG 1 21 GLN QE . . 4.050 3.400 2.912 3.991 . 0 0 "[ . 1]" 1
414 1 17 VAL QG 1 21 GLN QG . . 3.740 3.125 2.542 3.826 0.086 7 0 "[ . 1]" 1
415 1 17 VAL QG 1 23 VAL H . . 4.600 3.823 3.333 4.370 . 0 0 "[ . 1]" 1
416 1 17 VAL QG 1 23 VAL HA . . 3.630 2.762 2.536 3.156 . 0 0 "[ . 1]" 1
417 1 17 VAL QG 1 23 VAL HB . . 3.860 2.123 1.634 3.710 . 0 0 "[ . 1]" 1
418 1 17 VAL QG 1 23 VAL QG . . 2.630 1.972 1.563 2.175 . 0 0 "[ . 1]" 1
419 1 17 VAL QG 1 24 GLU H . . 3.870 4.102 3.772 4.610 0.740 8 1 "[ . + 1]" 1
420 1 17 VAL QG 1 69 ALA MB . . 2.820 2.372 2.192 2.694 . 0 0 "[ . 1]" 1
421 1 17 VAL QG 1 74 ALA HA . . 4.920 5.183 4.739 5.484 0.564 2 3 "[ + * - 1]" 1
422 1 17 VAL QG 1 74 ALA MB . . 4.230 4.264 3.717 4.651 0.421 10 0 "[ . 1]" 1
423 1 17 VAL QG 1 90 LEU QB . . 4.640 4.497 4.107 4.941 0.301 5 0 "[ . 1]" 1
424 1 17 VAL QG 1 90 LEU QD . . 3.100 1.927 1.721 2.299 . 0 0 "[ . 1]" 1
425 1 17 VAL QG 1 91 ILE H . . 4.910 4.459 3.928 5.023 0.113 8 0 "[ . 1]" 1
426 1 18 MET H 1 18 MET HB2 . . 2.750 2.499 2.349 2.589 . 0 0 "[ . 1]" 1
427 1 18 MET H 1 18 MET HB3 . . 3.960 3.680 3.594 3.744 . 0 0 "[ . 1]" 1
428 1 18 MET H 1 18 MET ME . . 3.170 3.613 1.780 4.400 1.230 1 6 "[+* . ***-]" 1
429 1 18 MET H 1 18 MET QG . . 3.570 3.339 2.956 3.632 0.062 1 0 "[ . 1]" 1
430 1 18 MET H 1 19 VAL HA . . 5.500 5.380 5.207 5.552 0.052 5 0 "[ . 1]" 1
431 1 18 MET H 1 19 VAL QG . . 5.440 5.380 5.149 5.483 0.043 5 0 "[ . 1]" 1
432 1 18 MET H 1 21 GLN H . . 4.140 4.399 4.100 4.614 0.474 7 0 "[ . 1]" 1
433 1 18 MET H 1 21 GLN HA . . 5.370 5.653 5.326 5.956 0.586 7 2 "[ -. + 1]" 1
434 1 18 MET H 1 21 GLN QE . . 4.370 2.071 1.748 2.814 . 0 0 "[ . 1]" 1
435 1 18 MET H 1 69 ALA MB . . 4.380 4.721 4.422 5.001 0.621 9 2 "[ - . +1]" 1
436 1 18 MET H 1 92 VAL QG . . 4.510 4.004 3.783 4.185 . 0 0 "[ . 1]" 1
437 1 18 MET H 1 93 GLN H . . 5.110 4.847 4.482 5.177 0.067 9 0 "[ . 1]" 1
438 1 18 MET H 1 93 GLN QE . . 5.500 4.894 4.155 5.521 0.021 9 0 "[ . 1]" 1
439 1 18 MET HA 1 18 MET ME . . 3.780 4.190 3.356 4.450 0.670 7 7 "[*** .-+* *]" 1
440 1 18 MET HA 1 18 MET QG . . 3.660 2.415 2.262 2.506 . 0 0 "[ . 1]" 1
441 1 18 MET HA 1 19 VAL H . . 2.550 2.428 2.345 2.515 . 0 0 "[ . 1]" 1
442 1 18 MET HA 1 19 VAL HA . . 4.370 4.292 4.238 4.337 . 0 0 "[ . 1]" 1
443 1 18 MET HA 1 19 VAL QG . . 3.690 3.576 3.504 3.653 . 0 0 "[ . 1]" 1
444 1 18 MET HA 1 21 GLN QB . . 4.840 4.573 4.235 4.794 . 0 0 "[ . 1]" 1
445 1 18 MET HA 1 21 GLN QE . . 4.760 4.365 4.018 4.797 0.037 4 0 "[ . 1]" 1
446 1 18 MET HA 1 21 GLN QG . . 5.500 6.351 5.984 6.534 1.034 4 9 [*-*+.*****] 1
447 1 18 MET HA 1 71 LEU MD1 . . 4.910 5.059 4.694 5.424 0.514 9 1 "[ . +1]" 1
448 1 18 MET HA 1 92 VAL HA . . 3.760 3.372 3.120 3.569 . 0 0 "[ . 1]" 1
449 1 18 MET HA 1 92 VAL QG . . 3.760 2.667 2.271 2.879 . 0 0 "[ . 1]" 1
450 1 18 MET HA 1 93 GLN H . . 2.750 2.271 1.937 2.689 . 0 0 "[ . 1]" 1
451 1 18 MET HA 1 93 GLN HA . . 5.090 4.809 4.486 5.310 0.220 7 0 "[ . 1]" 1
452 1 18 MET HA 1 93 GLN QG . . 5.270 4.851 3.567 5.502 0.232 9 0 "[ . 1]" 1
453 1 18 MET HA 1 94 GLU H . . 5.500 5.545 5.223 6.013 0.513 7 1 "[ . + 1]" 1
454 1 18 MET HA 1 94 GLU HA . . 5.140 4.757 4.430 5.147 0.007 8 0 "[ . 1]" 1
455 1 18 MET HA 1 95 LYS H . . 5.130 4.888 4.487 5.633 0.503 8 1 "[ . + 1]" 1
456 1 18 MET HB2 1 19 VAL H . . 3.880 3.615 3.402 3.816 . 0 0 "[ . 1]" 1
457 1 18 MET HB2 1 21 GLN H . . 4.900 4.497 4.237 4.983 0.083 4 0 "[ . 1]" 1
458 1 18 MET HB2 1 21 GLN QE . . 4.370 2.449 2.195 2.880 . 0 0 "[ . 1]" 1
459 1 18 MET HB2 1 21 GLN QG . . 4.630 4.806 4.387 5.248 0.618 8 2 "[ .- + 1]" 1
460 1 18 MET HB3 1 19 VAL H . . 3.940 2.384 2.227 2.522 . 0 0 "[ . 1]" 1
461 1 18 MET HB3 1 92 VAL QG . . 5.500 4.272 3.934 4.386 . 0 0 "[ . 1]" 1
462 1 18 MET HB3 1 95 LYS H . . 3.400 3.360 2.800 3.810 0.410 3 0 "[ . 1]" 1
463 1 18 MET ME 1 21 GLN QE . . 4.340 3.016 2.088 3.778 . 0 0 "[ . 1]" 1
464 1 18 MET ME 1 92 VAL QG . . 5.500 5.356 4.704 5.560 0.060 2 0 "[ . 1]" 1
465 1 18 MET ME 1 93 GLN QE . . 3.930 3.372 2.011 4.800 0.870 6 2 "[ - .+ 1]" 1
466 1 18 MET QG 1 19 VAL H . . 3.830 3.738 3.574 3.887 0.057 7 0 "[ . 1]" 1
467 1 18 MET QG 1 19 VAL QG . . 4.590 4.536 4.297 4.723 0.133 1 0 "[ . 1]" 1
468 1 18 MET QG 1 21 GLN QE . . 4.410 3.640 3.404 4.157 . 0 0 "[ . 1]" 1
469 1 18 MET QG 1 92 VAL HA . . 4.950 4.853 4.326 5.217 0.267 9 0 "[ . 1]" 1
470 1 18 MET QG 1 92 VAL QG . . 4.350 4.343 4.061 4.599 0.249 9 0 "[ . 1]" 1
471 1 18 MET QG 1 93 GLN H . . 4.320 3.466 3.035 3.960 . 0 0 "[ . 1]" 1
472 1 18 MET QG 1 95 LYS H . . 4.240 3.707 3.033 4.479 0.239 3 0 "[ . 1]" 1
473 1 18 MET QG 1 95 LYS QG . . 4.280 2.176 1.881 3.108 . 0 0 "[ . 1]" 1
474 1 19 VAL H 1 19 VAL HB . . 3.340 2.722 2.574 3.630 0.290 7 0 "[ . 1]" 1
475 1 19 VAL H 1 19 VAL QG . . 2.410 1.925 1.824 2.005 . 0 0 "[ . 1]" 1
476 1 19 VAL H 1 21 GLN QE . . 5.500 5.280 4.934 5.591 0.091 6 0 "[ . 1]" 1
477 1 19 VAL H 1 71 LEU HA . . 5.500 6.423 6.207 6.564 1.064 5 10 [****+-****] 1
478 1 19 VAL H 1 71 LEU MD1 . . 4.670 4.377 4.201 4.563 . 0 0 "[ . 1]" 1
479 1 19 VAL H 1 71 LEU MD2 . . 5.080 5.053 4.860 5.240 0.160 1 0 "[ . 1]" 1
480 1 19 VAL H 1 92 VAL HA . . 4.680 4.920 4.660 5.162 0.482 7 0 "[ . 1]" 1
481 1 19 VAL H 1 92 VAL QG . . 2.890 2.799 2.719 2.890 . 0 0 "[ . 1]" 1
482 1 19 VAL H 1 93 GLN H . . 3.740 3.676 3.388 4.126 0.386 7 0 "[ . 1]" 1
483 1 19 VAL H 1 93 GLN HA . . 5.260 5.072 4.764 5.815 0.555 7 1 "[ . + 1]" 1
484 1 19 VAL H 1 94 GLU H . . 4.970 5.083 4.722 5.916 0.946 7 1 "[ . + 1]" 1
485 1 19 VAL H 1 94 GLU HA . . 3.690 3.290 3.001 3.958 0.268 7 0 "[ . 1]" 1
486 1 19 VAL H 1 94 GLU QG . . 5.340 4.399 3.790 5.466 0.126 7 0 "[ . 1]" 1
487 1 19 VAL H 1 95 LYS QE . . 5.500 5.544 3.177 6.541 1.041 6 4 "[ * .+ -*]" 1
488 1 19 VAL H 1 95 LYS QG . . 5.190 4.451 3.144 5.162 . 0 0 "[ . 1]" 1
489 1 19 VAL HA 1 19 VAL QG . . 2.690 2.144 2.123 2.241 . 0 0 "[ . 1]" 1
490 1 19 VAL HA 1 20 GLY H . . 2.400 2.152 2.129 2.187 . 0 0 "[ . 1]" 1
491 1 19 VAL HA 1 20 GLY QA . . 4.460 3.922 3.899 3.956 . 0 0 "[ . 1]" 1
492 1 19 VAL HA 1 21 GLN H . . 3.590 3.463 3.365 3.606 0.016 3 0 "[ . 1]" 1
493 1 19 VAL HA 1 68 GLU HA . . 5.180 5.599 5.006 5.994 0.814 3 5 "[ +** - *1]" 1
494 1 19 VAL HA 1 69 ALA H . . 3.950 4.147 3.816 4.649 0.699 3 1 "[ + . 1]" 1
495 1 19 VAL HA 1 69 ALA MB . . 3.960 3.302 2.693 3.603 . 0 0 "[ . 1]" 1
496 1 19 VAL HA 1 70 MET HA . . 4.310 3.760 3.418 4.530 0.220 6 0 "[ . 1]" 1
497 1 19 VAL HA 1 70 MET ME . . 4.620 4.643 3.488 5.227 0.607 4 2 "[ +. - 1]" 1
498 1 19 VAL HA 1 71 LEU H . . 4.520 5.558 5.113 6.022 1.502 6 10 [****-+****] 1
499 1 19 VAL HA 1 92 VAL QG . . 3.110 2.523 2.143 2.788 . 0 0 "[ . 1]" 1
500 1 19 VAL HA 1 93 GLN H . . 5.500 5.312 5.027 5.760 0.260 7 0 "[ . 1]" 1
501 1 19 VAL HB 1 20 GLY H . . 4.140 4.023 2.981 4.224 0.084 6 0 "[ . 1]" 1
502 1 19 VAL HB 1 71 LEU MD1 . . 4.740 4.685 4.415 5.007 0.267 7 0 "[ . 1]" 1
503 1 19 VAL HB 1 71 LEU MD2 . . 4.050 4.309 4.028 4.502 0.452 1 0 "[ . 1]" 1
504 1 19 VAL HB 1 92 VAL QG . . 4.190 4.026 3.944 4.143 . 0 0 "[ . 1]" 1
505 1 19 VAL HB 1 94 GLU HA . . 4.630 3.573 2.369 5.406 0.776 7 1 "[ . + 1]" 1
506 1 19 VAL QG 1 20 GLY H . . 3.170 2.703 2.424 3.394 0.224 7 0 "[ . 1]" 1
507 1 19 VAL QG 1 20 GLY QA . . 4.450 3.068 2.898 3.624 . 0 0 "[ . 1]" 1
508 1 19 VAL QG 1 68 GLU HA . . 5.440 5.246 4.885 6.105 0.665 7 1 "[ . + 1]" 1
509 1 19 VAL QG 1 70 MET HA . . 3.110 2.497 1.897 3.051 . 0 0 "[ . 1]" 1
510 1 19 VAL QG 1 70 MET ME . . 2.600 2.802 2.048 3.088 0.488 7 0 "[ . 1]" 1
511 1 19 VAL QG 1 70 MET QG . . 4.180 3.989 3.642 4.609 0.429 6 0 "[ . 1]" 1
512 1 19 VAL QG 1 71 LEU H . . 3.530 3.345 3.096 3.596 0.066 6 0 "[ . 1]" 1
513 1 19 VAL QG 1 71 LEU HA . . 4.340 3.698 3.207 3.896 . 0 0 "[ . 1]" 1
514 1 19 VAL QG 1 71 LEU MD2 . . 3.030 2.100 2.000 2.240 . 0 0 "[ . 1]" 1
515 1 19 VAL QG 1 71 LEU HG . . 4.250 3.962 3.753 4.184 . 0 0 "[ . 1]" 1
516 1 19 VAL QG 1 92 VAL QG . . 2.560 1.971 1.835 2.147 . 0 0 "[ . 1]" 1
517 1 19 VAL QG 1 93 GLN H . . 4.130 3.701 3.469 3.964 . 0 0 "[ . 1]" 1
518 1 19 VAL QG 1 94 GLU H . . 3.610 3.766 3.273 4.441 0.831 7 2 "[ . + -]" 1
519 1 19 VAL QG 1 94 GLU HA . . 2.960 2.553 2.163 2.852 . 0 0 "[ . 1]" 1
520 1 19 VAL QG 1 94 GLU QG . . 3.220 2.134 1.763 3.187 . 0 0 "[ . 1]" 1
521 1 19 VAL QG 1 95 LYS H . . 3.750 3.815 2.619 4.305 0.555 10 1 "[ . +]" 1
522 1 20 GLY H 1 21 GLN H . . 2.650 2.553 2.390 2.733 0.083 3 0 "[ . 1]" 1
523 1 20 GLY H 1 21 GLN QB . . 4.750 4.537 4.448 4.628 . 0 0 "[ . 1]" 1
524 1 20 GLY H 1 66 ILE MG . . 5.070 5.666 5.340 6.048 0.978 10 7 "[- **.* **+]" 1
525 1 20 GLY H 1 68 GLU H . . 5.500 6.300 5.887 6.523 1.023 4 9 "[ **+***-**]" 1
526 1 20 GLY H 1 68 GLU HA . . 4.060 3.702 3.253 3.994 . 0 0 "[ . 1]" 1
527 1 20 GLY H 1 68 GLU QB . . 3.930 3.961 2.992 4.828 0.898 4 2 "[ +. - 1]" 1
528 1 20 GLY H 1 68 GLU QG . . 5.190 4.890 3.953 5.822 0.632 4 1 "[ +. 1]" 1
529 1 20 GLY H 1 69 ALA H . . 3.080 2.854 2.511 3.181 0.101 10 0 "[ . 1]" 1
530 1 20 GLY H 1 69 ALA HA . . 4.360 4.809 4.286 5.349 0.989 6 4 "[- .+ * *]" 1
531 1 20 GLY H 1 69 ALA MB . . 3.910 3.393 2.551 4.050 0.140 1 0 "[ . 1]" 1
532 1 20 GLY H 1 70 MET HA . . 4.000 4.450 3.845 5.303 1.303 6 5 "[* *.+ * -]" 1
533 1 20 GLY H 1 70 MET ME . . 3.740 3.978 2.754 4.689 0.949 8 3 "[- *. + 1]" 1
534 1 20 GLY H 1 70 MET QG . . 5.330 5.161 4.461 6.246 0.916 6 1 "[ .+ 1]" 1
535 1 20 GLY H 1 92 VAL QG . . 4.120 3.949 3.410 4.301 0.181 8 0 "[ . 1]" 1
536 1 20 GLY QA 1 21 GLN H . . 3.400 2.909 2.890 2.929 . 0 0 "[ . 1]" 1
537 1 20 GLY QA 1 68 GLU HA . . 4.000 3.071 2.406 3.526 . 0 0 "[ . 1]" 1
538 1 20 GLY QA 1 68 GLU QB . . 3.870 3.156 2.135 4.195 0.325 4 0 "[ . 1]" 1
539 1 20 GLY QA 1 68 GLU QG . . 4.110 3.229 2.423 4.423 0.313 4 0 "[ . 1]" 1
540 1 20 GLY QA 1 69 ALA H . . 3.460 3.593 2.661 4.318 0.858 1 4 "[+ .- * *]" 1
541 1 20 GLY QA 1 69 ALA MB . . 5.300 4.663 3.937 5.353 0.053 1 0 "[ . 1]" 1
542 1 20 GLY QA 1 70 MET ME . . 4.650 3.937 2.679 4.839 0.189 8 0 "[ . 1]" 1
543 1 21 GLN H 1 21 GLN QB . . 2.560 2.354 2.271 2.460 . 0 0 "[ . 1]" 1
544 1 21 GLN H 1 21 GLN QE . . 4.590 4.122 3.947 4.392 . 0 0 "[ . 1]" 1
545 1 21 GLN H 1 21 GLN QG . . 4.000 3.992 3.952 4.039 0.039 4 0 "[ . 1]" 1
546 1 21 GLN H 1 68 GLU HA . . 3.870 4.274 3.691 4.824 0.954 4 5 "[ +*** -]" 1
547 1 21 GLN H 1 68 GLU QB . . 5.280 5.456 4.636 6.266 0.986 4 3 "[ +.-* 1]" 1
548 1 21 GLN H 1 69 ALA H . . 3.180 3.484 3.162 3.897 0.717 6 2 "[ .+ -]" 1
549 1 21 GLN H 1 69 ALA HA . . 5.390 5.977 5.421 6.547 1.157 6 6 "[* - .+ ***]" 1
550 1 21 GLN H 1 69 ALA MB . . 3.620 3.579 2.728 4.135 0.515 1 1 "[+ . 1]" 1
551 1 21 GLN HA 1 21 GLN QE . . 4.610 4.265 3.861 4.351 . 0 0 "[ . 1]" 1
552 1 21 GLN HA 1 21 GLN QG . . 3.080 2.474 2.383 2.544 . 0 0 "[ . 1]" 1
553 1 21 GLN HA 1 22 ARG H . . 2.400 2.220 2.142 2.303 . 0 0 "[ . 1]" 1
554 1 21 GLN HA 1 22 ARG QB . . 4.660 4.399 4.247 4.540 . 0 0 "[ . 1]" 1
555 1 21 GLN HA 1 22 ARG QG . . 4.830 3.898 3.484 4.147 . 0 0 "[ . 1]" 1
556 1 21 GLN HA 1 69 ALA MB . . 5.500 5.405 4.802 5.857 0.357 1 0 "[ . 1]" 1
557 1 21 GLN QB 1 22 ARG H . . 4.060 3.590 3.479 3.668 . 0 0 "[ . 1]" 1
558 1 21 GLN QB 1 69 ALA H . . 4.550 4.913 4.612 5.301 0.751 4 3 "[ +.*- 1]" 1
559 1 21 GLN QB 1 69 ALA MB . . 4.300 4.180 3.606 4.596 0.296 6 0 "[ . 1]" 1
560 1 21 GLN QB 1 92 VAL QG . . 5.160 4.598 4.281 4.758 . 0 0 "[ . 1]" 1
561 1 21 GLN QE 1 21 GLN QG . . 2.850 2.691 2.647 2.711 . 0 0 "[ . 1]" 1
562 1 21 GLN QE 1 22 ARG H . . 5.500 5.074 4.874 5.260 . 0 0 "[ . 1]" 1
563 1 21 GLN QE 1 95 LYS QG . . 5.500 5.236 4.617 5.871 0.371 6 0 "[ . 1]" 1
564 1 21 GLN QG 1 22 ARG H . . 3.150 2.429 2.236 2.617 . 0 0 "[ . 1]" 1
565 1 21 GLN QG 1 22 ARG QB . . 4.870 4.297 4.156 4.517 . 0 0 "[ . 1]" 1
566 1 21 GLN QG 1 69 ALA H . . 5.200 5.834 5.253 6.389 1.189 4 6 "[ +***- *]" 1
567 1 21 GLN QG 1 69 ALA MB . . 4.590 5.038 4.588 5.499 0.909 6 4 "[* .+ -*1]" 1
568 1 22 ARG H 1 22 ARG QB . . 2.730 2.667 2.525 2.861 0.131 8 0 "[ . 1]" 1
569 1 22 ARG H 1 22 ARG QD . . 4.340 3.799 2.613 4.187 . 0 0 "[ . 1]" 1
570 1 22 ARG H 1 22 ARG QG . . 2.630 2.040 1.748 2.227 . 0 0 "[ . 1]" 1
571 1 22 ARG H 1 23 VAL H . . 4.680 4.572 4.520 4.606 . 0 0 "[ . 1]" 1
572 1 22 ARG H 1 23 VAL HA . . 5.470 5.403 5.272 5.552 0.082 5 0 "[ . 1]" 1
573 1 22 ARG H 1 67 ASN HA . . 4.740 5.031 4.737 5.325 0.585 1 2 "[+ - . 1]" 1
574 1 22 ARG H 1 68 GLU HA . . 5.460 5.379 4.409 6.168 0.708 4 2 "[ +. - 1]" 1
575 1 22 ARG HA 1 23 VAL H . . 2.440 2.204 2.104 2.290 . 0 0 "[ . 1]" 1
576 1 22 ARG HA 1 23 VAL HA . . 4.740 4.412 4.379 4.461 . 0 0 "[ . 1]" 1
577 1 22 ARG HA 1 23 VAL QG . . 5.440 3.485 3.174 3.603 . 0 0 "[ . 1]" 1
578 1 22 ARG HA 1 65 ILE MG . . 5.450 5.832 4.185 6.565 1.115 2 6 "[*+- .* **1]" 1
579 1 22 ARG HA 1 66 ILE H . . 4.100 4.573 4.172 5.044 0.944 10 5 "[** .- * +]" 1
580 1 22 ARG HA 1 67 ASN H . . 4.670 4.877 4.715 5.030 0.360 10 0 "[ . 1]" 1
581 1 22 ARG HA 1 67 ASN HA . . 3.780 3.290 3.022 3.594 . 0 0 "[ . 1]" 1
582 1 22 ARG HA 1 68 GLU H . . 4.700 4.826 4.526 5.273 0.573 5 1 "[ + 1]" 1
583 1 22 ARG HA 1 68 GLU HA . . 4.990 4.317 3.654 5.184 0.194 4 0 "[ . 1]" 1
584 1 22 ARG QB 1 22 ARG HE . . 4.110 2.973 1.918 4.193 0.083 10 0 "[ . 1]" 1
585 1 22 ARG QB 1 65 ILE QG . . 3.840 3.487 2.844 4.643 0.803 10 2 "[ - +]" 1
586 1 22 ARG QD 1 23 VAL H . . 4.690 4.394 3.187 5.358 0.668 3 3 "[ +*.- 1]" 1
587 1 22 ARG QD 1 65 ILE MD . . 4.530 3.477 1.921 6.082 1.552 5 2 "[ -+ 1]" 1
588 1 22 ARG QD 1 66 ILE H . . 5.500 5.715 4.622 6.443 0.943 8 3 "[ - * + 1]" 1
589 1 22 ARG HE 1 65 ILE MD . . 4.250 4.327 2.725 6.067 1.817 10 3 "[ *- +]" 1
590 1 22 ARG HE 1 65 ILE QG . . 5.500 4.796 4.001 5.671 0.171 7 0 "[ . 1]" 1
591 1 22 ARG QG 1 23 VAL H . . 4.660 4.238 3.679 4.499 . 0 0 "[ . 1]" 1
592 1 22 ARG QG 1 23 VAL HA . . 5.130 4.474 3.808 5.240 0.110 8 0 "[ . 1]" 1
593 1 23 VAL H 1 23 VAL HB . . 2.890 3.149 2.769 3.366 0.476 5 0 "[ . 1]" 1
594 1 23 VAL H 1 23 VAL QG . . 2.800 2.222 2.029 2.382 . 0 0 "[ . 1]" 1
595 1 23 VAL H 1 65 ILE MG . . 4.950 5.298 3.984 6.070 1.120 3 6 "[**+ .* -*1]" 1
596 1 23 VAL H 1 66 ILE HB . . 2.850 2.700 2.399 2.900 0.050 5 0 "[ . 1]" 1
597 1 23 VAL H 1 66 ILE MD . . 4.670 4.431 4.297 4.602 . 0 0 "[ . 1]" 1
598 1 23 VAL H 1 67 ASN HA . . 4.410 4.451 4.260 4.893 0.483 3 0 "[ . 1]" 1
599 1 23 VAL HA 1 23 VAL QG . . 2.740 2.286 2.116 2.350 . 0 0 "[ . 1]" 1
600 1 23 VAL HA 1 24 GLU H . . 2.400 2.202 2.169 2.270 . 0 0 "[ . 1]" 1
601 1 23 VAL HA 1 24 GLU HA . . 4.520 4.378 4.352 4.414 . 0 0 "[ . 1]" 1
602 1 23 VAL HA 1 24 GLU QB . . 4.270 4.217 3.833 4.437 0.167 7 0 "[ . 1]" 1
603 1 23 VAL HA 1 65 ILE MD . . 5.100 4.727 3.541 6.509 1.409 4 3 "[ +- *]" 1
604 1 23 VAL HA 1 65 ILE QG . . 5.290 5.806 5.501 6.031 0.741 2 6 "[*+* .-* *1]" 1
605 1 23 VAL HA 1 66 ILE H . . 4.430 4.838 4.487 4.992 0.562 2 3 "[ +- . *]" 1
606 1 23 VAL HA 1 66 ILE HB . . 5.410 4.931 4.233 5.209 . 0 0 "[ . 1]" 1
607 1 23 VAL HA 1 69 ALA MB . . 5.500 5.502 5.013 6.064 0.564 8 1 "[ . + 1]" 1
608 1 23 VAL HB 1 25 PHE QD . . 5.500 5.488 3.480 6.139 0.639 5 3 "[ *+ -]" 1
609 1 23 VAL HB 1 66 ILE H . . 3.620 4.872 3.014 5.440 1.820 10 8 "[ **-** **+]" 1
610 1 23 VAL HB 1 66 ILE HB . . 3.700 3.879 1.894 4.347 0.647 4 8 "[ **+*- ***]" 1
611 1 23 VAL HB 1 66 ILE MD . . 3.470 4.078 2.259 4.577 1.107 8 8 "[ *-*** +**]" 1
612 1 23 VAL HB 1 66 ILE QG . . 4.000 4.966 2.610 5.642 1.642 6 8 "[ *-**+ ***]" 1
613 1 23 VAL HB 1 66 ILE MG . . 4.060 4.838 3.437 5.293 1.233 4 8 "[ **+*- ***]" 1
614 1 23 VAL QG 1 24 GLU H . . 2.760 2.460 2.241 2.854 0.094 1 0 "[ . 1]" 1
615 1 23 VAL QG 1 24 GLU HA . . 4.460 3.553 3.315 4.023 . 0 0 "[ . 1]" 1
616 1 23 VAL QG 1 25 PHE H . . 4.160 3.938 3.801 4.224 0.064 1 0 "[ . 1]" 1
617 1 23 VAL QG 1 25 PHE HA . . 4.920 4.211 4.067 4.437 . 0 0 "[ . 1]" 1
618 1 23 VAL QG 1 25 PHE QD . . 3.940 3.077 2.816 3.390 . 0 0 "[ . 1]" 1
619 1 23 VAL QG 1 25 PHE QE . . 3.580 2.372 2.146 2.705 . 0 0 "[ . 1]" 1
620 1 23 VAL QG 1 25 PHE HZ . . 4.510 2.993 2.517 3.356 . 0 0 "[ . 1]" 1
621 1 23 VAL QG 1 65 ILE HA . . 4.270 4.219 3.872 4.760 0.490 7 0 "[ . 1]" 1
622 1 23 VAL QG 1 66 ILE H . . 4.430 3.031 2.792 3.614 . 0 0 "[ . 1]" 1
623 1 23 VAL QG 1 66 ILE HB . . 3.070 1.871 1.788 2.059 . 0 0 "[ . 1]" 1
624 1 23 VAL QG 1 66 ILE MG . . 4.590 2.868 2.549 3.110 . 0 0 "[ . 1]" 1
625 1 23 VAL QG 1 69 ALA MB . . 3.660 2.565 1.974 3.128 . 0 0 "[ . 1]" 1
626 1 23 VAL QG 1 90 LEU HA . . 5.080 4.797 4.592 5.325 0.245 8 0 "[ . 1]" 1
627 1 23 VAL QG 1 90 LEU QD . . 2.800 1.971 1.781 2.369 . 0 0 "[ . 1]" 1
628 1 23 VAL QG 1 90 LEU HG . . 4.020 4.013 3.741 4.518 0.498 8 0 "[ . 1]" 1
629 1 23 VAL QG 1 91 ILE H . . 5.440 5.406 5.118 5.839 0.399 8 0 "[ . 1]" 1
630 1 23 VAL QG 1 92 VAL QG . . 4.660 3.696 3.327 4.082 . 0 0 "[ . 1]" 1
631 1 24 GLU H 1 24 GLU QB . . 3.060 2.477 2.374 2.568 . 0 0 "[ . 1]" 1
632 1 24 GLU H 1 25 PHE H . . 4.330 4.333 4.250 4.424 0.094 2 0 "[ . 1]" 1
633 1 24 GLU H 1 25 PHE HA . . 4.860 4.976 4.857 5.165 0.305 2 0 "[ . 1]" 1
634 1 24 GLU H 1 65 ILE HA . . 5.070 5.021 4.606 5.344 0.274 1 0 "[ . 1]" 1
635 1 24 GLU H 1 65 ILE MD . . 4.300 4.253 3.415 5.440 1.140 4 3 "[ +* -]" 1
636 1 24 GLU H 1 66 ILE H . . 5.500 5.046 4.764 5.302 . 0 0 "[ . 1]" 1
637 1 24 GLU HA 1 25 PHE H . . 2.510 2.132 2.103 2.151 . 0 0 "[ . 1]" 1
638 1 24 GLU HA 1 25 PHE HA . . 5.030 4.384 4.365 4.400 . 0 0 "[ . 1]" 1
639 1 24 GLU HA 1 25 PHE QB . . 4.590 4.348 4.238 4.408 . 0 0 "[ . 1]" 1
640 1 24 GLU HA 1 65 ILE HA . . 3.460 2.604 2.226 3.157 . 0 0 "[ . 1]" 1
641 1 24 GLU HA 1 65 ILE MD . . 3.960 2.787 2.434 3.218 . 0 0 "[ . 1]" 1
642 1 24 GLU HA 1 65 ILE QG . . 4.400 4.102 2.730 4.754 0.354 9 0 "[ . 1]" 1
643 1 24 GLU HA 1 66 ILE H . . 4.900 3.625 3.207 4.184 . 0 0 "[ . 1]" 1
644 1 24 GLU QB 1 25 PHE H . . 3.800 3.458 3.160 3.842 0.042 1 0 "[ . 1]" 1
645 1 24 GLU QB 1 65 ILE MD . . 4.200 3.001 2.007 3.556 . 0 0 "[ . 1]" 1
646 1 24 GLU QG 1 25 PHE H . . 3.910 3.658 2.778 4.241 0.331 7 0 "[ . 1]" 1
647 1 24 GLU QG 1 25 PHE HA . . 5.220 5.084 3.828 5.857 0.637 10 6 "[ - * ***+]" 1
648 1 24 GLU QG 1 63 HIS QB . . 4.970 4.116 2.507 5.490 0.520 10 1 "[ . +]" 1
649 1 24 GLU QG 1 65 ILE HA . . 4.830 3.495 2.883 5.284 0.454 1 0 "[ . 1]" 1
650 1 24 GLU QG 1 65 ILE MD . . 3.440 2.312 1.727 3.588 0.148 1 0 "[ . 1]" 1
651 1 25 PHE H 1 25 PHE QB . . 3.040 2.441 2.344 2.526 . 0 0 "[ . 1]" 1
652 1 25 PHE H 1 25 PHE QD . . 4.130 2.966 2.635 3.267 . 0 0 "[ . 1]" 1
653 1 25 PHE H 1 26 GLU H . . 4.570 4.328 4.133 4.483 . 0 0 "[ . 1]" 1
654 1 25 PHE H 1 63 HIS HA . . 4.640 4.607 4.327 4.997 0.357 10 0 "[ . 1]" 1
655 1 25 PHE H 1 63 HIS QB . . 4.540 4.675 4.394 5.033 0.493 7 0 "[ . 1]" 1
656 1 25 PHE H 1 64 LEU H . . 3.180 3.205 2.798 3.876 0.696 1 1 "[+ . 1]" 1
657 1 25 PHE H 1 64 LEU HA . . 5.360 4.834 4.485 5.794 0.434 1 0 "[ . 1]" 1
658 1 25 PHE H 1 65 ILE H . . 5.310 4.946 4.739 5.593 0.283 1 0 "[ . 1]" 1
659 1 25 PHE H 1 65 ILE MD . . 3.480 4.038 3.098 4.515 1.035 8 6 "[ *- .**+*1]" 1
660 1 25 PHE HA 1 25 PHE QD . . 3.660 2.804 2.589 2.961 . 0 0 "[ . 1]" 1
661 1 25 PHE HA 1 25 PHE QE . . 4.820 4.580 4.444 4.701 . 0 0 "[ . 1]" 1
662 1 25 PHE HA 1 26 GLU H . . 2.400 2.159 2.110 2.224 . 0 0 "[ . 1]" 1
663 1 25 PHE HA 1 26 GLU HA . . 4.540 4.395 4.367 4.438 . 0 0 "[ . 1]" 1
664 1 25 PHE HA 1 38 TRP HH2 . . 5.330 5.336 4.558 5.978 0.648 1 2 "[+ - . 1]" 1
665 1 25 PHE HA 1 64 LEU H . . 4.590 4.901 4.624 5.746 1.156 1 2 "[+ - . 1]" 1
666 1 25 PHE QB 1 26 GLU H . . 3.230 3.284 2.909 3.492 0.262 8 0 "[ . 1]" 1
667 1 25 PHE QB 1 38 TRP HH2 . . 4.120 2.804 2.056 3.247 . 0 0 "[ . 1]" 1
668 1 25 PHE QB 1 64 LEU H . . 3.460 3.123 2.924 3.249 . 0 0 "[ . 1]" 1
669 1 25 PHE QB 1 64 LEU QB . . 4.140 2.093 1.751 3.239 . 0 0 "[ . 1]" 1
670 1 25 PHE QB 1 64 LEU QD . . 4.710 2.984 2.438 4.195 . 0 0 "[ . 1]" 1
671 1 25 PHE QD 1 26 GLU H . . 3.540 4.043 3.681 4.373 0.833 8 5 "[ * *.* + -]" 1
672 1 25 PHE QD 1 64 LEU HA . . 5.160 5.376 4.770 5.824 0.664 7 1 "[ . + 1]" 1
673 1 25 PHE QD 1 64 LEU QB . . 4.660 3.061 2.429 3.489 . 0 0 "[ . 1]" 1
674 1 25 PHE QD 1 64 LEU QD . . 3.590 2.774 2.175 3.513 . 0 0 "[ . 1]" 1
675 1 25 PHE QD 1 64 LEU HG . . 4.730 3.188 2.630 3.653 . 0 0 "[ . 1]" 1
676 1 25 PHE QD 1 66 ILE MD . . 4.730 3.275 2.896 3.852 . 0 0 "[ . 1]" 1
677 1 25 PHE QD 1 88 ALA MB . . 3.900 3.325 3.053 3.727 . 0 0 "[ . 1]" 1
678 1 25 PHE QD 1 90 LEU QD . . 4.890 3.998 3.692 4.469 . 0 0 "[ . 1]" 1
679 1 25 PHE QE 1 64 LEU QD . . 3.430 3.770 3.222 4.043 0.613 3 4 "[ *+ . -* 1]" 1
680 1 25 PHE QE 1 66 ILE MD . . 3.340 2.158 1.967 2.408 . 0 0 "[ . 1]" 1
681 1 25 PHE QE 1 69 ALA MB . . 5.500 5.254 4.917 5.888 0.388 4 0 "[ . 1]" 1
682 1 25 PHE QE 1 77 TYR QB . . 4.950 4.105 3.358 4.384 . 0 0 "[ . 1]" 1
683 1 25 PHE QE 1 88 ALA H . . 5.500 6.210 5.799 6.384 0.884 9 9 "[****** -+*]" 1
684 1 25 PHE QE 1 88 ALA MB . . 3.160 2.718 2.488 3.037 . 0 0 "[ . 1]" 1
685 1 25 PHE QE 1 89 GLU H . . 4.420 4.476 3.586 5.317 0.897 1 1 "[+ . 1]" 1
686 1 25 PHE QE 1 90 LEU QB . . 5.500 3.278 3.083 3.660 . 0 0 "[ . 1]" 1
687 1 25 PHE QE 1 90 LEU QD . . 3.850 2.223 1.765 2.911 . 0 0 "[ . 1]" 1
688 1 25 PHE QE 1 90 LEU HG . . 5.500 4.969 4.563 5.636 0.136 1 0 "[ . 1]" 1
689 1 25 PHE HZ 1 64 LEU QD . . 5.080 5.223 4.581 5.502 0.422 2 0 "[ . 1]" 1
690 1 25 PHE HZ 1 77 TYR H . . 4.070 5.839 5.063 6.025 1.955 2 10 [*+****-***] 1
691 1 25 PHE HZ 1 77 TYR QB . . 4.420 4.472 3.864 4.731 0.311 2 0 "[ . 1]" 1
692 1 25 PHE HZ 1 77 TYR QE . . 4.280 3.845 2.391 4.686 0.406 3 0 "[ . 1]" 1
693 1 25 PHE HZ 1 88 ALA MB . . 3.940 4.221 3.745 4.731 0.791 9 3 "[ - *. +1]" 1
694 1 25 PHE HZ 1 90 LEU HA . . 5.500 3.880 3.334 5.057 . 0 0 "[ . 1]" 1
695 1 25 PHE HZ 1 90 LEU QB . . 3.720 2.089 1.747 2.949 . 0 0 "[ . 1]" 1
696 1 25 PHE HZ 1 90 LEU MD1 . . 3.470 2.066 1.845 2.736 . 0 0 "[ . 1]" 1
697 1 25 PHE HZ 1 90 LEU QD . . 2.910 1.876 1.775 2.094 . 0 0 "[ . 1]" 1
698 1 25 PHE HZ 1 90 LEU MD2 . . 3.470 2.235 2.027 2.439 . 0 0 "[ . 1]" 1
699 1 26 GLU H 1 27 CYS H . . 4.410 4.462 4.360 4.517 0.107 9 0 "[ . 1]" 1
700 1 26 GLU H 1 27 CYS QB . . 4.940 4.974 4.698 5.296 0.356 8 0 "[ . 1]" 1
701 1 26 GLU H 1 38 TRP HH2 . . 4.540 5.446 4.455 6.063 1.523 1 8 "[+***** -*]" 1
702 1 26 GLU H 1 63 HIS HA . . 4.780 5.284 4.782 5.996 1.216 1 4 "[+ * . * -]" 1
703 1 26 GLU HA 1 26 GLU QG . . 3.330 2.809 2.354 3.342 0.012 2 0 "[ . 1]" 1
704 1 26 GLU HA 1 27 CYS H . . 2.400 2.179 2.152 2.218 . 0 0 "[ . 1]" 1
705 1 26 GLU HA 1 27 CYS HA . . 4.560 4.413 4.381 4.439 . 0 0 "[ . 1]" 1
706 1 26 GLU HA 1 38 TRP HH2 . . 5.090 5.192 4.384 6.034 0.944 1 2 "[+ - 1]" 1
707 1 26 GLU HA 1 63 HIS HA . . 3.510 3.036 2.376 4.237 0.727 1 1 "[+ . 1]" 1
708 1 27 CYS H 1 27 CYS HB2 . . 3.860 3.807 3.243 3.934 0.074 1 0 "[ . 1]" 1
709 1 27 CYS H 1 27 CYS HB3 . . 3.860 3.367 2.975 3.493 . 0 0 "[ . 1]" 1
710 1 27 CYS H 1 28 GLU H . . 4.560 4.192 4.074 4.355 . 0 0 "[ . 1]" 1
711 1 27 CYS H 1 28 GLU QG . . 4.550 4.058 3.636 4.485 . 0 0 "[ . 1]" 1
712 1 27 CYS H 1 38 TRP HZ2 . . 5.200 4.943 4.235 5.710 0.510 1 1 "[+ . 1]" 1
713 1 27 CYS H 1 61 ARG HA . . 4.720 4.491 4.115 4.795 0.075 4 0 "[ . 1]" 1
714 1 27 CYS H 1 61 ARG QB . . 4.810 3.662 3.290 4.205 . 0 0 "[ . 1]" 1
715 1 27 CYS H 1 62 HIS H . . 3.550 3.074 2.722 3.354 . 0 0 "[ . 1]" 1
716 1 27 CYS H 1 62 HIS HA . . 5.450 5.173 4.757 5.645 0.195 1 0 "[ . 1]" 1
717 1 27 CYS H 1 62 HIS QB . . 4.710 4.143 3.364 4.599 . 0 0 "[ . 1]" 1
718 1 27 CYS H 1 63 HIS HA . . 3.940 3.873 3.568 4.316 0.376 1 0 "[ . 1]" 1
719 1 27 CYS H 1 79 LEU QD . . 5.110 5.059 4.714 5.582 0.472 10 0 "[ . 1]" 1
720 1 27 CYS HA 1 28 GLU H . . 2.500 2.166 2.110 2.264 . 0 0 "[ . 1]" 1
721 1 27 CYS HA 1 28 GLU HA . . 4.710 4.394 4.369 4.420 . 0 0 "[ . 1]" 1
722 1 27 CYS HA 1 28 GLU QG . . 4.120 3.763 3.510 3.923 . 0 0 "[ . 1]" 1
723 1 27 CYS HA 1 62 HIS H . . 4.990 4.800 4.667 4.910 . 0 0 "[ . 1]" 1
724 1 27 CYS QB 1 28 GLU H . . 3.050 3.148 2.761 3.776 0.726 10 1 "[ . +]" 1
725 1 27 CYS QB 1 29 VAL QG . . 4.810 3.671 3.383 4.083 . 0 0 "[ . 1]" 1
726 1 27 CYS QB 1 38 TRP HH2 . . 4.470 3.356 2.792 3.857 . 0 0 "[ . 1]" 1
727 1 27 CYS QB 1 62 HIS H . . 4.470 4.181 3.536 4.434 . 0 0 "[ . 1]" 1
728 1 27 CYS QB 1 79 LEU QD . . 3.610 2.414 1.792 3.038 . 0 0 "[ . 1]" 1
729 1 27 CYS QB 1 79 LEU HG . . 5.340 5.089 4.585 5.926 0.586 10 1 "[ . +]" 1
730 1 27 CYS QB 1 86 ALA MB . . 4.210 4.246 3.921 4.666 0.456 7 0 "[ . 1]" 1
731 1 27 CYS HB2 1 79 LEU QD . . 5.500 2.587 1.819 3.616 . 0 0 "[ . 1]" 1
732 1 27 CYS HB2 1 86 ALA MB . . 4.810 4.717 4.338 5.153 0.343 7 0 "[ . 1]" 1
733 1 27 CYS HB3 1 79 LEU QD . . 5.500 2.996 2.433 3.516 . 0 0 "[ . 1]" 1
734 1 27 CYS HB3 1 86 ALA MB . . 4.810 4.839 4.472 5.528 0.718 10 2 "[ . - +]" 1
735 1 28 GLU H 1 28 GLU QB . . 3.260 2.578 2.500 2.735 . 0 0 "[ . 1]" 1
736 1 28 GLU H 1 28 GLU QG . . 3.670 2.836 2.523 3.180 . 0 0 "[ . 1]" 1
737 1 28 GLU H 1 29 VAL QG . . 4.490 4.106 3.979 4.263 . 0 0 "[ . 1]" 1
738 1 28 GLU H 1 61 ARG HA . . 5.500 4.602 4.415 4.833 . 0 0 "[ . 1]" 1
739 1 28 GLU H 1 62 HIS H . . 4.930 4.906 4.762 5.089 0.159 3 0 "[ . 1]" 1
740 1 28 GLU H 1 86 ALA MB . . 5.000 5.874 5.320 6.050 1.050 2 9 "[-+****** *]" 1
741 1 28 GLU HA 1 28 GLU QG . . 3.860 2.461 2.381 2.600 . 0 0 "[ . 1]" 1
742 1 28 GLU HA 1 29 VAL H . . 2.560 2.210 2.162 2.310 . 0 0 "[ . 1]" 1
743 1 28 GLU HA 1 29 VAL QG . . 3.980 3.234 3.131 3.333 . 0 0 "[ . 1]" 1
744 1 28 GLU HA 1 61 ARG H . . 4.600 4.450 4.275 4.676 0.076 8 0 "[ . 1]" 1
745 1 28 GLU HA 1 61 ARG HA . . 3.240 2.079 1.877 2.213 . 0 0 "[ . 1]" 1
746 1 28 GLU HA 1 61 ARG QD . . 5.500 5.067 4.015 5.649 0.149 8 0 "[ . 1]" 1
747 1 28 GLU HA 1 61 ARG QG . . 5.340 4.731 4.188 5.122 . 0 0 "[ . 1]" 1
748 1 28 GLU HA 1 62 HIS H . . 3.350 3.447 3.142 3.729 0.379 3 0 "[ . 1]" 1
749 1 28 GLU HA 1 62 HIS HD2 . . 4.350 4.097 3.438 4.706 0.356 9 0 "[ . 1]" 1
750 1 28 GLU QB 1 29 VAL H . . 3.630 2.909 2.569 3.025 . 0 0 "[ . 1]" 1
751 1 28 GLU QB 1 29 VAL HA . . 4.720 4.088 3.999 4.168 . 0 0 "[ . 1]" 1
752 1 28 GLU QB 1 29 VAL QG . . 4.800 3.986 3.818 4.049 . 0 0 "[ . 1]" 1
753 1 28 GLU QB 1 60 GLN QE . . 5.040 3.986 3.361 4.546 . 0 0 "[ . 1]" 1
754 1 28 GLU QG 1 29 VAL H . . 4.210 4.078 3.866 4.308 0.098 3 0 "[ . 1]" 1
755 1 28 GLU QG 1 61 ARG HA . . 3.930 2.919 2.231 3.646 . 0 0 "[ . 1]" 1
756 1 28 GLU QG 1 61 ARG QD . . 4.580 3.145 2.044 3.797 . 0 0 "[ . 1]" 1
757 1 28 GLU QG 1 61 ARG QG . . 4.470 3.714 3.285 4.219 . 0 0 "[ . 1]" 1
758 1 28 GLU QG 1 62 HIS H . . 4.630 4.116 3.716 4.691 0.061 3 0 "[ . 1]" 1
759 1 29 VAL H 1 29 VAL HB . . 3.870 3.783 3.737 3.839 . 0 0 "[ . 1]" 1
760 1 29 VAL H 1 29 VAL QG . . 2.830 2.056 1.973 2.145 . 0 0 "[ . 1]" 1
761 1 29 VAL H 1 30 SER HA . . 4.950 5.133 4.970 5.311 0.361 5 0 "[ . 1]" 1
762 1 29 VAL H 1 60 GLN H . . 5.500 5.607 5.466 5.822 0.322 9 0 "[ . 1]" 1
763 1 29 VAL H 1 60 GLN QE . . 4.420 3.767 3.655 3.898 . 0 0 "[ . 1]" 1
764 1 29 VAL H 1 60 GLN QG . . 4.940 4.848 4.636 5.135 0.195 4 0 "[ . 1]" 1
765 1 29 VAL H 1 61 ARG H . . 5.190 4.812 4.664 5.060 . 0 0 "[ . 1]" 1
766 1 29 VAL HA 1 29 VAL QG . . 3.050 2.259 2.215 2.282 . 0 0 "[ . 1]" 1
767 1 29 VAL HA 1 30 SER H . . 2.670 2.441 2.271 2.601 . 0 0 "[ . 1]" 1
768 1 29 VAL HA 1 30 SER HA . . 4.400 4.249 4.225 4.282 . 0 0 "[ . 1]" 1
769 1 29 VAL HA 1 30 SER QB . . 4.520 4.477 4.072 4.795 0.275 5 0 "[ . 1]" 1
770 1 29 VAL HA 1 31 GLU H . . 4.630 4.254 3.976 4.547 . 0 0 "[ . 1]" 1
771 1 29 VAL HB 1 30 SER H . . 2.740 2.301 2.003 2.678 . 0 0 "[ . 1]" 1
772 1 29 VAL HB 1 30 SER HA . . 4.730 4.718 4.600 4.859 0.129 3 0 "[ . 1]" 1
773 1 29 VAL HB 1 30 SER QB . . 5.240 4.351 3.995 4.702 . 0 0 "[ . 1]" 1
774 1 29 VAL HB 1 31 GLU H . . 2.880 2.847 2.494 3.074 0.194 5 0 "[ . 1]" 1
775 1 29 VAL HB 1 34 ALA MB . . 4.070 3.383 3.112 3.625 . 0 0 "[ . 1]" 1
776 1 29 VAL HB 1 36 VAL QG . . 4.840 4.227 3.933 4.694 . 0 0 "[ . 1]" 1
777 1 29 VAL HB 1 81 THR MG . . 3.480 3.886 3.382 4.287 0.807 10 4 "[- *. * +]" 1
778 1 29 VAL QG 1 30 SER H . . 3.600 3.092 2.922 3.259 . 0 0 "[ . 1]" 1
779 1 29 VAL QG 1 30 SER HA . . 5.500 4.316 4.141 4.472 . 0 0 "[ . 1]" 1
780 1 29 VAL QG 1 30 SER QB . . 4.920 4.412 4.133 4.631 . 0 0 "[ . 1]" 1
781 1 29 VAL QG 1 31 GLU H . . 2.520 2.358 1.899 2.674 0.154 8 0 "[ . 1]" 1
782 1 29 VAL QG 1 31 GLU QB . . 3.910 3.337 2.836 3.598 . 0 0 "[ . 1]" 1
783 1 29 VAL QG 1 32 GLU H . . 5.050 4.739 4.446 4.899 . 0 0 "[ . 1]" 1
784 1 29 VAL QG 1 33 GLY QA . . 5.500 4.868 4.512 5.117 . 0 0 "[ . 1]" 1
785 1 29 VAL QG 1 34 ALA H . . 3.750 3.270 3.016 3.458 . 0 0 "[ . 1]" 1
786 1 29 VAL QG 1 34 ALA MB . . 2.920 1.905 1.766 2.305 . 0 0 "[ . 1]" 1
787 1 29 VAL QG 1 36 VAL H . . 5.500 5.368 5.076 5.632 0.132 5 0 "[ . 1]" 1
788 1 29 VAL QG 1 36 VAL HB . . 4.910 4.260 3.970 4.720 . 0 0 "[ . 1]" 1
789 1 29 VAL QG 1 36 VAL QG . . 3.280 2.315 2.043 2.606 . 0 0 "[ . 1]" 1
790 1 29 VAL QG 1 60 GLN QB . . 3.840 2.987 2.788 3.153 . 0 0 "[ . 1]" 1
791 1 29 VAL QG 1 60 GLN QE . . 4.480 3.748 3.560 3.905 . 0 0 "[ . 1]" 1
792 1 29 VAL QG 1 60 GLN QG . . 3.650 3.893 3.707 4.118 0.468 4 0 "[ . 1]" 1
793 1 29 VAL QG 1 61 ARG H . . 4.460 4.695 4.528 4.819 0.359 2 0 "[ . 1]" 1
794 1 29 VAL QG 1 62 HIS H . . 4.440 4.306 4.009 4.630 0.190 9 0 "[ . 1]" 1
795 1 29 VAL QG 1 62 HIS HD2 . . 3.250 2.641 2.188 3.370 0.120 9 0 "[ . 1]" 1
796 1 29 VAL QG 1 62 HIS HE1 . . 5.350 4.762 4.026 5.978 0.628 9 1 "[ . +1]" 1
797 1 29 VAL QG 1 79 LEU QD . . 3.400 2.794 2.474 3.187 . 0 0 "[ . 1]" 1
798 1 29 VAL QG 1 81 THR MG . . 4.130 2.355 2.052 2.616 . 0 0 "[ . 1]" 1
799 1 29 VAL QG 1 82 SER H . . 5.210 5.061 4.488 5.567 0.357 4 0 "[ . 1]" 1
800 1 29 VAL QG 1 82 SER QB . . 5.500 5.593 5.046 6.021 0.521 10 1 "[ . +]" 1
801 1 30 SER H 1 30 SER HB2 . . 3.710 2.976 2.391 3.569 . 0 0 "[ . 1]" 1
802 1 30 SER H 1 30 SER QB . . 2.870 2.547 2.228 2.733 . 0 0 "[ . 1]" 1
803 1 30 SER H 1 30 SER HB3 . . 3.710 3.051 2.479 3.577 . 0 0 "[ . 1]" 1
804 1 30 SER H 1 31 GLU H . . 3.080 2.702 2.535 2.795 . 0 0 "[ . 1]" 1
805 1 30 SER H 1 31 GLU QB . . 4.540 4.397 4.092 4.626 0.086 5 0 "[ . 1]" 1
806 1 30 SER H 1 34 ALA MB . . 4.670 4.767 4.259 5.248 0.578 3 1 "[ + . 1]" 1
807 1 30 SER H 1 60 GLN QE . . 5.100 4.548 4.251 4.796 . 0 0 "[ . 1]" 1
808 1 30 SER H 1 81 THR MG . . 4.730 5.381 4.815 5.833 1.103 4 7 "[*-*+. * **]" 1
809 1 30 SER HA 1 60 GLN QE . . 3.250 2.872 2.364 3.268 0.018 2 0 "[ . 1]" 1
810 1 30 SER HA 1 60 GLN QG . . 5.260 5.105 4.730 5.457 0.197 5 0 "[ . 1]" 1
811 1 30 SER QB 1 31 GLU H . . 3.930 3.330 2.720 3.938 0.008 4 0 "[ . 1]" 1
812 1 30 SER HB2 1 31 GLU H . . 4.700 3.705 2.843 4.481 . 0 0 "[ . 1]" 1
813 1 30 SER HB2 1 60 GLN QE . . 5.290 5.007 4.299 5.623 0.333 2 0 "[ . 1]" 1
814 1 30 SER HB3 1 31 GLU H . . 4.700 4.052 2.774 4.554 . 0 0 "[ . 1]" 1
815 1 30 SER HB3 1 60 GLN QE . . 5.290 4.915 4.381 5.342 0.052 6 0 "[ . 1]" 1
816 1 31 GLU H 1 31 GLU QB . . 2.990 2.479 2.350 2.672 . 0 0 "[ . 1]" 1
817 1 31 GLU H 1 31 GLU QG . . 4.460 4.086 3.987 4.196 . 0 0 "[ . 1]" 1
818 1 31 GLU H 1 32 GLU H . . 4.510 4.418 4.260 4.515 0.005 6 0 "[ . 1]" 1
819 1 31 GLU H 1 34 ALA H . . 5.410 4.981 4.711 5.328 . 0 0 "[ . 1]" 1
820 1 31 GLU H 1 34 ALA MB . . 3.740 3.189 2.745 3.540 . 0 0 "[ . 1]" 1
821 1 31 GLU H 1 60 GLN QE . . 4.180 3.978 3.267 4.538 0.358 7 0 "[ . 1]" 1
822 1 31 GLU H 1 60 GLN QG . . 4.300 4.474 3.842 5.393 1.093 3 2 "[ + . - 1]" 1
823 1 31 GLU HA 1 32 GLU H . . 2.400 2.224 2.160 2.380 . 0 0 "[ . 1]" 1
824 1 31 GLU HA 1 60 GLN QE . . 4.070 4.368 3.963 4.856 0.786 3 2 "[ + . - 1]" 1
825 1 31 GLU QB 1 32 GLU H . . 3.870 3.629 3.349 3.859 . 0 0 "[ . 1]" 1
826 1 31 GLU QB 1 34 ALA H . . 4.310 3.881 3.692 4.102 . 0 0 "[ . 1]" 1
827 1 31 GLU QB 1 34 ALA MB . . 3.380 1.839 1.759 2.236 . 0 0 "[ . 1]" 1
828 1 31 GLU QB 1 60 GLN QE . . 5.500 5.333 4.950 5.736 0.236 3 0 "[ . 1]" 1
829 1 31 GLU QG 1 34 ALA H . . 4.400 3.653 3.093 4.577 0.177 6 0 "[ . 1]" 1
830 1 31 GLU QG 1 34 ALA MB . . 4.190 2.762 2.256 3.574 . 0 0 "[ . 1]" 1
831 1 32 GLU H 1 32 GLU QG . . 3.280 2.583 1.903 3.380 0.100 5 0 "[ . 1]" 1
832 1 32 GLU H 1 34 ALA H . . 5.160 4.564 4.412 4.804 . 0 0 "[ . 1]" 1
833 1 32 GLU H 1 60 GLN QE . . 5.260 4.837 4.611 5.026 . 0 0 "[ . 1]" 1
834 1 32 GLU H 1 60 GLN QG . . 3.140 3.095 2.761 3.471 0.331 8 0 "[ . 1]" 1
835 1 32 GLU HB2 1 59 GLY H . . 5.340 5.247 4.382 6.279 0.939 9 3 "[ -. *+1]" 1
836 1 32 GLU HB3 1 60 GLN QE . . 5.240 4.718 3.995 5.225 . 0 0 "[ . 1]" 1
837 1 32 GLU QG 1 59 GLY QA . . 4.580 4.497 3.570 5.284 0.704 8 2 "[ - . + 1]" 1
838 1 33 GLY QA 1 34 ALA H . . 3.180 2.843 2.734 2.920 . 0 0 "[ . 1]" 1
839 1 33 GLY QA 1 57 LYS QE . . 4.490 3.228 2.371 3.895 . 0 0 "[ . 1]" 1
840 1 33 GLY QA 1 59 GLY H . . 4.850 5.101 4.127 5.694 0.844 9 3 "[ -*. +1]" 1
841 1 34 ALA H 1 34 ALA MB . . 2.400 2.224 2.186 2.252 . 0 0 "[ . 1]" 1
842 1 34 ALA H 1 35 GLN H . . 4.750 4.600 4.569 4.624 . 0 0 "[ . 1]" 1
843 1 34 ALA H 1 36 VAL QG . . 5.050 4.478 4.131 5.086 0.036 5 0 "[ . 1]" 1
844 1 34 ALA H 1 57 LYS QE . . 4.700 5.461 4.736 6.092 1.392 9 8 "[**- *** +*]" 1
845 1 34 ALA H 1 60 GLN QG . . 5.040 4.984 4.575 5.530 0.490 3 0 "[ . 1]" 1
846 1 34 ALA HA 1 35 GLN H . . 2.890 2.227 2.144 2.299 . 0 0 "[ . 1]" 1
847 1 34 ALA HA 1 35 GLN QE . . 3.780 2.936 2.342 3.421 . 0 0 "[ . 1]" 1
848 1 34 ALA MB 1 35 GLN H . . 2.810 2.684 2.474 2.929 0.119 5 0 "[ . 1]" 1
849 1 34 ALA MB 1 36 VAL H . . 5.000 4.848 4.398 5.317 0.317 5 0 "[ . 1]" 1
850 1 34 ALA MB 1 36 VAL QG . . 3.160 2.831 2.339 3.355 0.195 5 0 "[ . 1]" 1
851 1 34 ALA MB 1 62 HIS HD2 . . 5.500 4.583 3.332 5.134 . 0 0 "[ . 1]" 1
852 1 34 ALA MB 1 62 HIS HE1 . . 5.080 4.792 3.885 6.332 1.252 9 1 "[ . +1]" 1
853 1 35 GLN H 1 35 GLN QB . . 2.610 2.441 2.165 2.710 0.100 9 0 "[ . 1]" 1
854 1 35 GLN H 1 35 GLN QE . . 4.300 2.442 1.958 3.026 . 0 0 "[ . 1]" 1
855 1 35 GLN H 1 35 GLN QG . . 3.550 3.191 2.699 3.641 0.091 4 0 "[ . 1]" 1
856 1 35 GLN H 1 36 VAL H . . 4.500 4.427 4.299 4.573 0.073 5 0 "[ . 1]" 1
857 1 35 GLN H 1 36 VAL QG . . 4.380 4.026 3.849 4.329 . 0 0 "[ . 1]" 1
858 1 35 GLN H 1 82 SER QB . . 4.730 6.001 5.753 6.070 1.340 5 10 [-***+*****] 1
859 1 35 GLN HA 1 35 GLN QE . . 4.420 3.464 3.013 4.273 . 0 0 "[ . 1]" 1
860 1 35 GLN HA 1 35 GLN QG . . 3.650 2.787 2.374 3.521 . 0 0 "[ . 1]" 1
861 1 35 GLN HA 1 36 VAL H . . 2.400 2.146 2.089 2.208 . 0 0 "[ . 1]" 1
862 1 35 GLN HA 1 36 VAL QG . . 4.040 3.341 3.202 3.496 . 0 0 "[ . 1]" 1
863 1 35 GLN QB 1 36 VAL H . . 3.640 3.324 2.897 3.631 . 0 0 "[ . 1]" 1
864 1 35 GLN QG 1 36 VAL H . . 4.340 4.219 4.011 4.510 0.170 10 0 "[ . 1]" 1
865 1 36 VAL H 1 36 VAL HB . . 3.970 3.839 3.804 3.907 . 0 0 "[ . 1]" 1
866 1 36 VAL H 1 36 VAL QG . . 2.570 2.155 2.093 2.277 . 0 0 "[ . 1]" 1
867 1 36 VAL H 1 37 LYS H . . 4.680 4.431 4.401 4.462 . 0 0 "[ . 1]" 1
868 1 36 VAL H 1 37 LYS HA . . 5.150 4.840 4.758 4.920 . 0 0 "[ . 1]" 1
869 1 36 VAL H 1 62 HIS HE1 . . 4.540 4.566 3.638 5.283 0.743 9 2 "[- . +1]" 1
870 1 36 VAL H 1 79 LEU QD . . 4.940 4.857 4.739 5.032 0.092 9 0 "[ . 1]" 1
871 1 36 VAL HA 1 36 VAL QG . . 3.060 2.317 2.255 2.341 . 0 0 "[ . 1]" 1
872 1 36 VAL HA 1 37 LYS H . . 2.600 2.311 2.244 2.535 . 0 0 "[ . 1]" 1
873 1 36 VAL HA 1 79 LEU QD . . 4.110 3.717 3.514 4.002 . 0 0 "[ . 1]" 1
874 1 36 VAL HA 1 81 THR HA . . 3.500 2.728 2.577 2.947 . 0 0 "[ . 1]" 1
875 1 36 VAL HA 1 81 THR MG . . 4.370 2.820 2.300 3.474 . 0 0 "[ . 1]" 1
876 1 36 VAL HB 1 37 LYS H . . 2.640 2.646 2.095 2.783 0.143 3 0 "[ . 1]" 1
877 1 36 VAL HB 1 37 LYS HA . . 4.740 4.485 4.389 4.560 . 0 0 "[ . 1]" 1
878 1 36 VAL HB 1 38 TRP HE1 . . 5.500 4.735 4.218 5.433 . 0 0 "[ . 1]" 1
879 1 36 VAL HB 1 79 LEU QD . . 3.320 1.838 1.740 2.123 . 0 0 "[ . 1]" 1
880 1 36 VAL HB 1 79 LEU HG . . 4.740 3.189 2.911 3.539 . 0 0 "[ . 1]" 1
881 1 36 VAL HB 1 80 CYS H . . 4.300 4.712 4.548 4.921 0.621 6 3 "[ -.+ *]" 1
882 1 36 VAL HB 1 81 THR HA . . 4.260 4.218 3.475 4.585 0.325 10 0 "[ . 1]" 1
883 1 36 VAL HB 1 82 SER H . . 5.500 6.299 5.483 6.570 1.070 10 9 "[****** *-+]" 1
884 1 36 VAL QG 1 37 LYS H . . 3.390 3.239 2.874 3.308 . 0 0 "[ . 1]" 1
885 1 36 VAL QG 1 37 LYS HA . . 4.020 3.623 3.421 3.979 . 0 0 "[ . 1]" 1
886 1 36 VAL QG 1 37 LYS QG . . 5.220 5.012 4.537 5.371 0.151 5 0 "[ . 1]" 1
887 1 36 VAL QG 1 38 TRP H . . 4.690 4.518 4.152 4.859 0.169 9 0 "[ . 1]" 1
888 1 36 VAL QG 1 38 TRP HD1 . . 3.780 3.300 2.942 3.654 . 0 0 "[ . 1]" 1
889 1 36 VAL QG 1 38 TRP HE1 . . 3.210 2.890 2.515 3.605 0.395 9 0 "[ . 1]" 1
890 1 36 VAL QG 1 38 TRP HZ2 . . 5.350 4.194 3.674 5.207 . 0 0 "[ . 1]" 1
891 1 36 VAL QG 1 55 PHE QB . . 5.410 4.963 4.348 5.284 . 0 0 "[ . 1]" 1
892 1 36 VAL QG 1 57 LYS QE . . 5.500 4.676 3.951 5.262 . 0 0 "[ . 1]" 1
893 1 36 VAL QG 1 62 HIS QB . . 4.550 3.066 2.656 3.506 . 0 0 "[ . 1]" 1
894 1 36 VAL QG 1 62 HIS HD2 . . 4.430 3.149 2.758 3.349 . 0 0 "[ . 1]" 1
895 1 36 VAL QG 1 62 HIS HE1 . . 3.560 3.097 2.817 3.478 . 0 0 "[ . 1]" 1
896 1 36 VAL QG 1 79 LEU HB3 . . 5.500 5.126 4.858 5.313 . 0 0 "[ . 1]" 1
897 1 36 VAL QG 1 79 LEU QD . . 2.850 2.217 1.984 2.362 . 0 0 "[ . 1]" 1
898 1 36 VAL QG 1 80 CYS H . . 5.400 4.965 4.850 5.119 . 0 0 "[ . 1]" 1
899 1 36 VAL QG 1 81 THR HA . . 3.860 3.338 2.664 3.726 . 0 0 "[ . 1]" 1
900 1 36 VAL QG 1 81 THR HB . . 4.400 3.590 2.584 4.513 0.113 8 0 "[ . 1]" 1
901 1 36 VAL QG 1 81 THR MG . . 3.060 1.784 1.746 1.858 . 0 0 "[ . 1]" 1
902 1 36 VAL QG 1 82 SER H . . 4.670 4.289 3.403 4.632 . 0 0 "[ . 1]" 1
903 1 36 VAL QG 1 83 GLY H . . 5.500 6.130 5.413 6.341 0.841 5 7 "[** *+- * *]" 1
904 1 37 LYS H 1 37 LYS QG . . 4.200 3.589 2.257 4.152 . 0 0 "[ . 1]" 1
905 1 37 LYS H 1 38 TRP H . . 4.430 4.333 4.089 4.420 . 0 0 "[ . 1]" 1
906 1 37 LYS H 1 38 TRP HA . . 5.080 4.723 4.436 4.880 . 0 0 "[ . 1]" 1
907 1 37 LYS H 1 38 TRP HD1 . . 5.260 5.328 4.814 5.793 0.533 5 1 "[ + 1]" 1
908 1 37 LYS H 1 39 LEU QD . . 4.730 4.842 4.199 5.757 1.027 1 3 "[+ * -1]" 1
909 1 37 LYS H 1 79 LEU HA . . 4.660 4.597 3.853 4.951 0.291 9 0 "[ . 1]" 1
910 1 37 LYS H 1 79 LEU QD . . 3.510 2.917 2.344 3.267 . 0 0 "[ . 1]" 1
911 1 37 LYS H 1 79 LEU HG . . 5.200 3.997 3.394 4.376 . 0 0 "[ . 1]" 1
912 1 37 LYS H 1 80 CYS H . . 3.070 3.342 3.065 3.645 0.575 7 1 "[ . + 1]" 1
913 1 37 LYS H 1 80 CYS QB . . 3.840 3.669 3.464 3.920 0.080 1 0 "[ . 1]" 1
914 1 37 LYS H 1 81 THR HA . . 4.560 3.498 3.152 4.082 . 0 0 "[ . 1]" 1
915 1 37 LYS HA 1 37 LYS QG . . 3.340 2.718 2.340 3.357 0.017 7 0 "[ . 1]" 1
916 1 37 LYS HA 1 38 TRP H . . 2.400 2.211 2.160 2.325 . 0 0 "[ . 1]" 1
917 1 37 LYS HA 1 38 TRP HD1 . . 4.540 3.792 3.099 4.633 0.093 5 0 "[ . 1]" 1
918 1 37 LYS QB 1 38 TRP H . . 3.800 3.427 2.591 3.833 0.033 1 0 "[ . 1]" 1
919 1 37 LYS QB 1 39 LEU QD . . 4.420 3.216 2.598 3.935 . 0 0 "[ . 1]" 1
920 1 37 LYS QB 1 44 GLU QG . . 4.570 4.706 2.495 6.057 1.487 5 4 "[- +* *1]" 1
921 1 37 LYS QB 1 80 CYS QB . . 3.550 2.638 1.763 4.257 0.707 7 1 "[ . + 1]" 1
922 1 37 LYS QD 1 39 LEU QD . . 3.260 2.607 1.846 3.048 . 0 0 "[ . 1]" 1
923 1 37 LYS QD 1 44 GLU QG . . 4.000 4.356 2.575 5.975 1.975 9 4 "[* * +-]" 1
924 1 37 LYS QD 1 80 CYS QB . . 3.710 2.892 2.114 3.931 0.221 7 0 "[ . 1]" 1
925 1 37 LYS QE 1 37 LYS QG . . 2.830 2.271 2.127 2.376 . 0 0 "[ . 1]" 1
926 1 37 LYS QE 1 38 TRP H . . 5.340 4.875 3.995 5.578 0.238 7 0 "[ . 1]" 1
927 1 37 LYS QE 1 39 LEU QD . . 3.710 2.229 1.708 2.988 . 0 0 "[ . 1]" 1
928 1 37 LYS QE 1 39 LEU HG . . 4.720 3.419 2.588 4.633 . 0 0 "[ . 1]" 1
929 1 37 LYS QE 1 44 GLU H . . 5.340 5.569 4.406 6.559 1.219 7 4 "[ - +**1]" 1
930 1 37 LYS QE 1 44 GLU QB . . 4.350 3.545 2.244 5.535 1.185 5 1 "[ + 1]" 1
931 1 37 LYS QG 1 38 TRP H . . 3.780 3.091 2.570 4.026 0.246 3 0 "[ . 1]" 1
932 1 37 LYS QG 1 44 GLU QB . . 4.630 4.690 3.570 6.079 1.449 9 5 "[ * - **+1]" 1
933 1 37 LYS QG 1 79 LEU QD . . 4.560 4.636 3.997 5.036 0.476 4 0 "[ . 1]" 1
934 1 37 LYS QG 1 80 CYS QB . . 4.170 3.009 1.927 3.807 . 0 0 "[ . 1]" 1
935 1 38 TRP H 1 38 TRP QB . . 2.880 2.378 2.299 2.460 . 0 0 "[ . 1]" 1
936 1 38 TRP H 1 38 TRP HD1 . . 3.320 3.039 2.593 3.608 0.288 5 0 "[ . 1]" 1
937 1 38 TRP H 1 38 TRP HE1 . . 5.500 5.359 4.970 5.790 0.290 5 0 "[ . 1]" 1
938 1 38 TRP H 1 39 LEU H . . 4.580 4.405 4.334 4.449 . 0 0 "[ . 1]" 1
939 1 38 TRP H 1 39 LEU QD . . 4.410 3.758 3.391 4.274 . 0 0 "[ . 1]" 1
940 1 38 TRP H 1 45 LEU HB2 . . 4.810 4.242 3.704 5.023 0.213 1 0 "[ . 1]" 1
941 1 38 TRP H 1 45 LEU QD . . 4.730 4.574 4.015 5.109 0.379 2 0 "[ . 1]" 1
942 1 38 TRP H 1 79 LEU QD . . 4.870 4.081 3.952 4.313 . 0 0 "[ . 1]" 1
943 1 38 TRP HA 1 38 TRP HD1 . . 4.480 4.066 3.791 4.250 . 0 0 "[ . 1]" 1
944 1 38 TRP HA 1 38 TRP HZ3 . . 5.500 5.290 4.802 5.746 0.246 7 0 "[ . 1]" 1
945 1 38 TRP HA 1 39 LEU H . . 2.500 2.136 2.120 2.158 . 0 0 "[ . 1]" 1
946 1 38 TRP HA 1 39 LEU HA . . 4.570 4.385 4.374 4.400 . 0 0 "[ . 1]" 1
947 1 38 TRP HA 1 39 LEU QB . . 5.150 4.326 4.209 4.423 . 0 0 "[ . 1]" 1
948 1 38 TRP HA 1 39 LEU QD . . 4.100 3.528 2.854 4.364 0.264 9 0 "[ . 1]" 1
949 1 38 TRP HA 1 39 LEU HG . . 4.360 4.956 4.014 5.769 1.409 8 6 "[ -*.**+ *]" 1
950 1 38 TRP HA 1 45 LEU HG . . 5.500 5.037 4.562 5.480 . 0 0 "[ . 1]" 1
951 1 38 TRP HA 1 78 ALA MB . . 5.500 5.317 5.006 5.769 0.269 5 0 "[ . 1]" 1
952 1 38 TRP HA 1 79 LEU HA . . 3.490 2.881 2.638 3.241 . 0 0 "[ . 1]" 1
953 1 38 TRP HA 1 79 LEU HB2 . . 4.750 4.646 4.282 4.953 0.203 9 0 "[ . 1]" 1
954 1 38 TRP HA 1 79 LEU HB3 . . 5.500 5.737 5.502 6.015 0.515 5 1 "[ + 1]" 1
955 1 38 TRP HA 1 79 LEU QD . . 4.210 2.831 2.632 2.993 . 0 0 "[ . 1]" 1
956 1 38 TRP HA 1 80 CYS H . . 3.960 3.469 3.024 3.821 . 0 0 "[ . 1]" 1
957 1 38 TRP QB 1 38 TRP HZ3 . . 5.010 4.785 4.674 4.941 . 0 0 "[ . 1]" 1
958 1 38 TRP QB 1 39 LEU H . . 3.420 3.239 3.096 3.406 . 0 0 "[ . 1]" 1
959 1 38 TRP QB 1 45 LEU H . . 5.050 3.685 3.168 4.700 . 0 0 "[ . 1]" 1
960 1 38 TRP QB 1 45 LEU QD . . 4.030 1.948 1.745 2.316 . 0 0 "[ . 1]" 1
961 1 38 TRP QB 1 55 PHE QE . . 4.200 2.585 2.340 3.117 . 0 0 "[ . 1]" 1
962 1 38 TRP QB 1 64 LEU QD . . 4.000 3.190 2.721 3.883 . 0 0 "[ . 1]" 1
963 1 38 TRP QB 1 78 ALA H . . 5.500 5.193 4.547 5.943 0.443 5 0 "[ . 1]" 1
964 1 38 TRP QB 1 79 LEU QD . . 5.440 3.919 3.815 4.095 . 0 0 "[ . 1]" 1
965 1 38 TRP HE1 1 55 PHE HA . . 4.630 5.181 4.555 5.409 0.779 10 6 "[*- ** *+]" 1
966 1 38 TRP HE1 1 55 PHE QB . . 3.790 4.292 4.060 4.783 0.993 8 4 "[* . -+*1]" 1
967 1 38 TRP HE1 1 56 LYS H . . 4.340 5.852 4.996 6.054 1.714 5 10 [****+**-**] 1
968 1 38 TRP HE1 1 62 HIS HA . . 5.430 5.822 5.464 6.259 0.829 8 3 "[ - * + 1]" 1
969 1 38 TRP HE1 1 62 HIS QB . . 3.430 3.195 2.909 3.569 0.139 8 0 "[ . 1]" 1
970 1 38 TRP HE1 1 62 HIS HE1 . . 5.500 6.218 5.857 6.517 1.017 8 7 "[ * ***+-*]" 1
971 1 38 TRP HE1 1 63 HIS H . . 4.490 5.761 5.516 5.980 1.490 6 10 [*****+**-*] 1
972 1 38 TRP HE1 1 63 HIS HA . . 5.500 6.436 6.159 6.565 1.065 2 10 [*+******-*] 1
973 1 38 TRP HE1 1 64 LEU HA . . 5.500 5.465 4.861 5.911 0.411 10 0 "[ . 1]" 1
974 1 38 TRP HE1 1 64 LEU QB . . 4.340 3.990 3.276 4.492 0.152 4 0 "[ . 1]" 1
975 1 38 TRP HE1 1 64 LEU QD . . 5.190 4.066 3.386 4.507 . 0 0 "[ . 1]" 1
976 1 38 TRP HE1 1 79 LEU QD . . 3.840 3.291 2.988 3.585 . 0 0 "[ . 1]" 1
977 1 38 TRP HE3 1 79 LEU QD . . 5.060 3.656 3.416 4.318 . 0 0 "[ . 1]" 1
978 1 38 TRP HH2 1 63 HIS HA . . 4.300 5.272 4.627 5.771 1.471 7 9 "[ -****+***]" 1
979 1 38 TRP HH2 1 64 LEU H . . 3.620 4.218 3.749 4.577 0.957 7 6 "[ -* +***]" 1
980 1 38 TRP HH2 1 64 LEU QD . . 5.440 3.703 3.136 4.071 . 0 0 "[ . 1]" 1
981 1 38 TRP HH2 1 79 LEU QD . . 4.330 3.487 3.144 4.142 . 0 0 "[ . 1]" 1
982 1 38 TRP HZ2 1 62 HIS H . . 5.260 5.176 4.628 5.694 0.434 5 0 "[ . 1]" 1
983 1 38 TRP HZ2 1 62 HIS HA . . 5.030 5.399 4.832 6.010 0.980 9 4 "[ * -*+1]" 1
984 1 38 TRP HZ2 1 62 HIS QB . . 3.660 2.933 2.405 3.413 . 0 0 "[ . 1]" 1
985 1 38 TRP HZ2 1 63 HIS H . . 3.780 5.151 4.687 5.693 1.913 7 10 [*-****+***] 1
986 1 38 TRP HZ2 1 63 HIS HA . . 4.120 4.604 4.274 4.816 0.696 5 4 "[ + *- *]" 1
987 1 38 TRP HZ2 1 64 LEU H . . 3.830 4.020 3.671 4.400 0.570 10 2 "[ -. +]" 1
988 1 38 TRP HZ2 1 64 LEU HA . . 5.500 5.017 4.739 5.289 . 0 0 "[ . 1]" 1
989 1 38 TRP HZ2 1 64 LEU QB . . 5.360 3.103 2.797 3.427 . 0 0 "[ . 1]" 1
990 1 38 TRP HZ2 1 64 LEU QD . . 5.440 3.993 3.640 4.403 . 0 0 "[ . 1]" 1
991 1 38 TRP HZ2 1 79 LEU QD . . 3.910 3.189 3.026 3.303 . 0 0 "[ . 1]" 1
992 1 38 TRP HZ3 1 39 LEU H . . 5.500 5.811 4.979 6.316 0.816 8 3 "[ .-*+ 1]" 1
993 1 38 TRP HZ3 1 45 LEU QD . . 5.440 5.022 4.163 6.119 0.679 8 1 "[ . + 1]" 1
994 1 38 TRP HZ3 1 64 LEU QD . . 3.750 3.064 2.723 3.466 . 0 0 "[ . 1]" 1
995 1 39 LEU H 1 39 LEU QB . . 3.160 2.545 2.438 2.692 . 0 0 "[ . 1]" 1
996 1 39 LEU H 1 39 LEU QD . . 3.240 2.906 2.320 3.580 0.340 5 0 "[ . 1]" 1
997 1 39 LEU H 1 39 LEU HG . . 3.690 3.824 3.036 4.376 0.686 8 3 "[ .-*+ 1]" 1
998 1 39 LEU H 1 40 LYS H . . 4.440 4.404 4.338 4.470 0.030 8 0 "[ . 1]" 1
999 1 39 LEU H 1 40 LYS HA . . 5.130 4.890 4.780 4.981 . 0 0 "[ . 1]" 1
1000 1 39 LEU H 1 44 GLU HA . . 5.500 5.053 4.583 5.710 0.210 9 0 "[ . 1]" 1
1001 1 39 LEU H 1 45 LEU H . . 4.940 4.854 4.542 5.245 0.305 9 0 "[ . 1]" 1
1002 1 39 LEU H 1 45 LEU HB2 . . 5.500 5.410 4.689 6.054 0.554 1 1 "[+ . 1]" 1
1003 1 39 LEU H 1 45 LEU QD . . 4.850 4.086 3.350 4.615 . 0 0 "[ . 1]" 1
1004 1 39 LEU H 1 55 PHE QE . . 5.500 6.453 6.438 6.480 0.980 5 10 [****+**-**] 1
1005 1 39 LEU H 1 64 LEU QD . . 5.440 5.484 5.221 5.727 0.287 7 0 "[ . 1]" 1
1006 1 39 LEU H 1 77 TYR QE . . 5.070 6.074 5.705 6.407 1.337 1 10 [+*****-***] 1
1007 1 39 LEU H 1 78 ALA H . . 3.100 3.215 2.920 3.523 0.423 9 0 "[ . 1]" 1
1008 1 39 LEU H 1 78 ALA MB . . 4.180 3.897 3.545 4.387 0.207 5 0 "[ . 1]" 1
1009 1 39 LEU H 1 79 LEU H . . 5.320 5.085 4.873 5.338 0.018 5 0 "[ . 1]" 1
1010 1 39 LEU H 1 79 LEU HA . . 3.790 3.470 3.218 3.689 . 0 0 "[ . 1]" 1
1011 1 39 LEU H 1 79 LEU QD . . 4.840 4.215 3.948 4.389 . 0 0 "[ . 1]" 1
1012 1 39 LEU H 1 80 CYS H . . 5.180 3.977 3.601 4.339 . 0 0 "[ . 1]" 1
1013 1 39 LEU HA 1 39 LEU QD . . 3.510 2.576 1.954 3.051 . 0 0 "[ . 1]" 1
1014 1 39 LEU HA 1 39 LEU HG . . 3.880 2.653 2.414 3.150 . 0 0 "[ . 1]" 1
1015 1 39 LEU HA 1 40 LYS H . . 2.530 2.218 2.162 2.365 . 0 0 "[ . 1]" 1
1016 1 39 LEU HA 1 40 LYS QB . . 4.590 3.992 3.873 4.160 . 0 0 "[ . 1]" 1
1017 1 39 LEU HA 1 43 VAL H . . 4.330 4.652 4.299 5.085 0.755 8 2 "[ .- + 1]" 1
1018 1 39 LEU HA 1 44 GLU HA . . 3.220 2.539 2.050 3.090 . 0 0 "[ . 1]" 1
1019 1 39 LEU HA 1 44 GLU QG . . 5.160 4.357 3.830 5.364 0.204 9 0 "[ . 1]" 1
1020 1 39 LEU HA 1 45 LEU H . . 3.040 2.898 2.578 3.305 0.265 1 0 "[ . 1]" 1
1021 1 39 LEU HA 1 45 LEU HA . . 5.270 5.147 4.643 5.620 0.350 1 0 "[ . 1]" 1
1022 1 39 LEU HA 1 45 LEU QD . . 3.920 3.664 3.205 4.219 0.299 1 0 "[ . 1]" 1
1023 1 39 LEU HA 1 45 LEU HG . . 4.100 2.998 2.289 3.738 . 0 0 "[ . 1]" 1
1024 1 39 LEU QB 1 39 LEU QD . . 2.760 1.925 1.886 1.963 . 0 0 "[ . 1]" 1
1025 1 39 LEU QB 1 40 LYS H . . 2.990 2.849 2.467 3.059 0.069 1 0 "[ . 1]" 1
1026 1 39 LEU QB 1 41 ASP H . . 5.500 4.317 4.052 4.601 . 0 0 "[ . 1]" 1
1027 1 39 LEU QB 1 42 GLY H . . 4.010 2.860 2.353 3.202 . 0 0 "[ . 1]" 1
1028 1 39 LEU QB 1 42 GLY HA3 . . 5.500 4.534 4.086 4.906 . 0 0 "[ . 1]" 1
1029 1 39 LEU QB 1 43 VAL H . . 4.680 3.757 3.549 4.023 . 0 0 "[ . 1]" 1
1030 1 39 LEU QB 1 44 GLU HA . . 4.130 3.871 3.545 4.556 0.426 5 0 "[ . 1]" 1
1031 1 39 LEU QB 1 78 ALA H . . 3.650 3.492 3.054 4.034 0.384 9 0 "[ . 1]" 1
1032 1 39 LEU QB 1 78 ALA MB . . 2.910 2.730 2.137 3.303 0.393 9 0 "[ . 1]" 1
1033 1 39 LEU QB 1 80 CYS H . . 5.500 4.573 4.209 4.922 . 0 0 "[ . 1]" 1
1034 1 39 LEU QD 1 40 LYS H . . 5.160 3.802 3.345 4.204 . 0 0 "[ . 1]" 1
1035 1 39 LEU QD 1 42 GLY HA2 . . 4.000 2.736 2.271 3.395 . 0 0 "[ . 1]" 1
1036 1 39 LEU QD 1 43 VAL H . . 3.960 4.131 3.568 4.374 0.414 7 0 "[ . 1]" 1
1037 1 39 LEU QD 1 43 VAL HA . . 4.070 4.103 3.421 4.542 0.472 8 0 "[ . 1]" 1
1038 1 39 LEU QD 1 44 GLU H . . 3.270 3.748 2.977 4.336 1.066 3 4 "[ +*. - *]" 1
1039 1 39 LEU QD 1 44 GLU HA . . 2.870 2.715 1.773 3.497 0.627 3 1 "[ + . 1]" 1
1040 1 39 LEU QD 1 44 GLU QB . . 4.140 3.103 2.197 3.745 . 0 0 "[ . 1]" 1
1041 1 39 LEU QD 1 44 GLU QG . . 3.470 3.067 2.145 3.684 0.214 2 0 "[ . 1]" 1
1042 1 39 LEU QD 1 45 LEU H . . 4.420 3.614 2.536 4.362 . 0 0 "[ . 1]" 1
1043 1 39 LEU QD 1 78 ALA H . . 4.200 4.654 4.039 5.347 1.147 9 4 "[ .-**+1]" 1
1044 1 39 LEU QD 1 78 ALA MB . . 2.960 3.451 2.735 4.230 1.270 9 5 "[ .***+-]" 1
1045 1 39 LEU QD 1 79 LEU HA . . 3.790 4.324 3.410 5.519 1.729 9 5 "[* * -*+1]" 1
1046 1 39 LEU QD 1 80 CYS H . . 3.080 3.420 2.612 4.533 1.453 9 4 "[* * -+1]" 1
1047 1 39 LEU QD 1 80 CYS QB . . 3.270 2.582 1.894 3.426 0.156 1 0 "[ . 1]" 1
1048 1 39 LEU QD 1 85 GLN QE . . 4.540 4.881 4.026 5.232 0.692 9 2 "[ . -+1]" 1
1049 1 39 LEU HG 1 44 GLU HA . . 3.710 2.818 1.789 4.318 0.608 5 2 "[ + -1]" 1
1050 1 39 LEU HG 1 44 GLU QG . . 4.410 3.940 3.013 6.040 1.630 9 2 "[ - +1]" 1
1051 1 39 LEU HG 1 45 LEU H . . 4.840 4.220 3.166 5.498 0.658 1 1 "[+ . 1]" 1
1052 1 40 LYS H 1 40 LYS HB2 . . 3.210 3.031 2.658 3.228 0.018 6 0 "[ . 1]" 1
1053 1 40 LYS H 1 40 LYS HB3 . . 3.210 2.715 2.604 2.898 . 0 0 "[ . 1]" 1
1054 1 40 LYS H 1 40 LYS QE . . 4.790 4.295 4.049 4.559 . 0 0 "[ . 1]" 1
1055 1 40 LYS H 1 41 ASP H . . 4.100 4.067 3.980 4.124 0.024 5 0 "[ . 1]" 1
1056 1 40 LYS H 1 41 ASP QB . . 5.500 4.984 4.783 5.155 . 0 0 "[ . 1]" 1
1057 1 40 LYS H 1 42 GLY HA2 . . 4.910 4.966 4.723 5.221 0.311 7 0 "[ . 1]" 1
1058 1 40 LYS H 1 43 VAL H . . 2.790 3.029 3.003 3.063 0.273 7 0 "[ . 1]" 1
1059 1 40 LYS H 1 43 VAL HA . . 4.510 4.513 4.434 4.630 0.120 5 0 "[ . 1]" 1
1060 1 40 LYS H 1 43 VAL HB . . 4.480 3.521 3.177 4.680 0.200 5 0 "[ . 1]" 1
1061 1 40 LYS H 1 78 ALA H . . 4.990 4.949 4.780 5.179 0.189 9 0 "[ . 1]" 1
1062 1 40 LYS HA 1 40 LYS QD . . 4.300 3.584 2.809 3.868 . 0 0 "[ . 1]" 1
1063 1 40 LYS HA 1 40 LYS QE . . 5.130 4.447 4.015 4.611 . 0 0 "[ . 1]" 1
1064 1 40 LYS HA 1 40 LYS QG . . 3.980 2.375 2.291 2.427 . 0 0 "[ . 1]" 1
1065 1 40 LYS HA 1 41 ASP H . . 3.040 2.131 2.090 2.148 . 0 0 "[ . 1]" 1
1066 1 40 LYS HA 1 77 TYR H . . 4.890 4.644 4.495 4.733 . 0 0 "[ . 1]" 1
1067 1 40 LYS HA 1 77 TYR HA . . 3.380 2.452 2.226 2.649 . 0 0 "[ . 1]" 1
1068 1 40 LYS HA 1 78 ALA H . . 3.430 3.438 3.170 3.949 0.519 1 1 "[+ . 1]" 1
1069 1 40 LYS HA 1 78 ALA MB . . 4.650 4.565 4.122 5.182 0.532 1 1 "[+ . 1]" 1
1070 1 40 LYS QB 1 41 ASP H . . 4.000 3.905 3.842 3.936 . 0 0 "[ . 1]" 1
1071 1 40 LYS QB 1 45 LEU QD . . 3.350 2.015 1.835 2.386 . 0 0 "[ . 1]" 1
1072 1 40 LYS QB 1 77 TYR HA . . 4.760 3.803 3.373 4.362 . 0 0 "[ . 1]" 1
1073 1 40 LYS HB2 1 41 ASP H . . 4.630 4.443 4.361 4.577 . 0 0 "[ . 1]" 1
1074 1 40 LYS HB2 1 43 VAL H . . 5.180 5.299 5.013 5.514 0.334 6 0 "[ . 1]" 1
1075 1 40 LYS HB2 1 45 LEU MD1 . . 4.560 2.761 2.444 3.264 . 0 0 "[ . 1]" 1
1076 1 40 LYS HB2 1 45 LEU MD2 . . 4.560 2.319 1.927 3.049 . 0 0 "[ . 1]" 1
1077 1 40 LYS HB2 1 77 TYR HA . . 5.500 3.927 3.450 4.602 . 0 0 "[ . 1]" 1
1078 1 40 LYS HB3 1 41 ASP H . . 4.630 4.333 4.179 4.390 . 0 0 "[ . 1]" 1
1079 1 40 LYS HB3 1 43 VAL H . . 5.180 4.119 3.875 4.385 . 0 0 "[ . 1]" 1
1080 1 40 LYS HB3 1 45 LEU MD1 . . 4.560 3.964 3.559 4.740 0.180 3 0 "[ . 1]" 1
1081 1 40 LYS HB3 1 45 LEU MD2 . . 4.560 2.533 2.234 2.969 . 0 0 "[ . 1]" 1
1082 1 40 LYS HB3 1 77 TYR HA . . 5.500 5.119 4.758 5.581 0.081 1 0 "[ . 1]" 1
1083 1 40 LYS QD 1 41 ASP H . . 4.110 3.788 2.960 4.202 0.092 8 0 "[ . 1]" 1
1084 1 40 LYS QD 1 43 VAL H . . 5.230 4.462 4.042 5.062 . 0 0 "[ . 1]" 1
1085 1 40 LYS QD 1 43 VAL HB . . 5.500 4.052 3.314 5.039 . 0 0 "[ . 1]" 1
1086 1 40 LYS QD 1 75 GLY QA . . 4.440 1.939 1.742 2.136 . 0 0 "[ . 1]" 1
1087 1 40 LYS QD 1 76 HIS H . . 4.170 3.319 2.772 3.688 . 0 0 "[ . 1]" 1
1088 1 40 LYS QD 1 76 HIS QB . . 4.960 5.101 4.547 5.490 0.530 7 2 "[ . + -]" 1
1089 1 40 LYS QE 1 40 LYS QG . . 3.390 2.718 2.308 2.846 . 0 0 "[ . 1]" 1
1090 1 40 LYS QE 1 41 ASP HA . . 5.110 6.227 5.432 6.584 1.474 8 9 "[-* ****+**]" 1
1091 1 40 LYS QE 1 42 GLY H . . 5.340 6.159 5.623 6.548 1.208 6 8 "[ - **+****]" 1
1092 1 40 LYS QE 1 75 GLY H . . 4.620 5.138 4.996 5.332 0.712 6 5 "[ * **+- 1]" 1
1093 1 40 LYS QE 1 75 GLY QA . . 3.630 3.855 3.622 4.057 0.427 7 0 "[ . 1]" 1
1094 1 40 LYS QE 1 76 HIS H . . 4.690 5.263 4.861 5.588 0.898 7 7 "[* -.*+***]" 1
1095 1 40 LYS HE2 1 40 LYS QG . . 3.890 2.850 2.410 3.005 . 0 0 "[ . 1]" 1
1096 1 40 LYS HE2 1 75 GLY QA . . 4.420 4.543 4.032 4.787 0.367 6 0 "[ . 1]" 1
1097 1 40 LYS HE3 1 40 LYS QG . . 3.890 3.443 2.952 3.520 . 0 0 "[ . 1]" 1
1098 1 40 LYS HE3 1 75 GLY QA . . 4.420 4.177 4.053 4.383 . 0 0 "[ . 1]" 1
1099 1 40 LYS QG 1 41 ASP H . . 3.680 3.225 2.830 3.781 0.101 3 0 "[ . 1]" 1
1100 1 40 LYS QG 1 75 GLY H . . 5.500 4.435 3.988 5.183 . 0 0 "[ . 1]" 1
1101 1 40 LYS QG 1 76 HIS H . . 4.260 2.986 2.490 4.329 0.069 3 0 "[ . 1]" 1
1102 1 40 LYS QG 1 77 TYR H . . 5.500 4.384 4.050 4.874 . 0 0 "[ . 1]" 1
1103 1 40 LYS QG 1 77 TYR HA . . 4.200 3.500 3.169 4.094 . 0 0 "[ . 1]" 1
1104 1 40 LYS QG 1 77 TYR QB . . 5.320 4.490 4.200 4.915 . 0 0 "[ . 1]" 1
1105 1 41 ASP H 1 41 ASP HA . . 2.400 2.270 2.259 2.278 . 0 0 "[ . 1]" 1
1106 1 41 ASP H 1 41 ASP QB . . 3.500 3.111 2.880 3.328 . 0 0 "[ . 1]" 1
1107 1 41 ASP H 1 42 GLY H . . 2.910 2.726 2.665 2.828 . 0 0 "[ . 1]" 1
1108 1 41 ASP H 1 42 GLY HA2 . . 5.120 5.067 4.994 5.182 0.062 4 0 "[ . 1]" 1
1109 1 41 ASP H 1 43 VAL H . . 4.110 4.153 3.965 4.337 0.227 5 0 "[ . 1]" 1
1110 1 41 ASP H 1 43 VAL HB . . 5.500 5.696 5.317 6.504 1.004 5 1 "[ + 1]" 1
1111 1 41 ASP H 1 75 GLY QA . . 4.950 4.331 3.575 4.750 . 0 0 "[ . 1]" 1
1112 1 41 ASP H 1 76 HIS H . . 3.330 3.011 2.496 3.364 0.034 5 0 "[ . 1]" 1
1113 1 41 ASP H 1 76 HIS QB . . 3.520 3.100 2.876 3.301 . 0 0 "[ . 1]" 1
1114 1 41 ASP H 1 77 TYR H . . 4.780 4.807 4.427 5.151 0.371 8 0 "[ . 1]" 1
1115 1 41 ASP H 1 77 TYR HA . . 3.560 3.546 3.316 3.941 0.381 8 0 "[ . 1]" 1
1116 1 41 ASP H 1 78 ALA H . . 4.870 4.300 4.059 4.464 . 0 0 "[ . 1]" 1
1117 1 41 ASP H 1 78 ALA MB . . 4.880 4.322 4.089 4.691 . 0 0 "[ . 1]" 1
1118 1 41 ASP HA 1 42 GLY H . . 2.950 2.848 2.820 2.893 . 0 0 "[ . 1]" 1
1119 1 41 ASP HA 1 43 VAL H . . 4.670 4.340 4.169 4.528 . 0 0 "[ . 1]" 1
1120 1 41 ASP HA 1 76 HIS H . . 3.630 3.489 2.520 4.331 0.701 5 1 "[ + 1]" 1
1121 1 41 ASP HA 1 76 HIS HB2 . . 4.920 2.832 2.369 3.369 . 0 0 "[ . 1]" 1
1122 1 41 ASP HA 1 76 HIS QB . . 4.180 2.798 2.352 3.290 . 0 0 "[ . 1]" 1
1123 1 41 ASP HA 1 76 HIS HB3 . . 4.920 4.402 3.983 4.836 . 0 0 "[ . 1]" 1
1124 1 41 ASP QB 1 42 GLY H . . 4.290 3.835 3.805 3.874 . 0 0 "[ . 1]" 1
1125 1 41 ASP QB 1 43 VAL H . . 4.610 3.510 3.254 3.693 . 0 0 "[ . 1]" 1
1126 1 41 ASP QB 1 43 VAL QG . . 4.370 3.202 2.725 3.677 . 0 0 "[ . 1]" 1
1127 1 41 ASP QB 1 76 HIS H . . 5.400 2.953 1.632 3.768 . 0 0 "[ . 1]" 1
1128 1 42 GLY H 1 42 GLY HA2 . . 2.620 2.356 2.323 2.378 . 0 0 "[ . 1]" 1
1129 1 42 GLY H 1 42 GLY HA3 . . 2.940 2.918 2.889 2.935 . 0 0 "[ . 1]" 1
1130 1 42 GLY H 1 43 VAL H . . 3.030 2.639 2.526 2.700 . 0 0 "[ . 1]" 1
1131 1 42 GLY H 1 43 VAL HB . . 5.050 5.025 4.853 5.248 0.198 5 0 "[ . 1]" 1
1132 1 42 GLY H 1 76 HIS H . . 5.500 5.475 4.783 6.013 0.513 5 1 "[ + 1]" 1
1133 1 42 GLY H 1 76 HIS QB . . 5.260 4.871 4.537 5.465 0.205 5 0 "[ . 1]" 1
1134 1 42 GLY H 1 78 ALA H . . 5.500 5.223 4.898 5.599 0.099 9 0 "[ . 1]" 1
1135 1 42 GLY H 1 78 ALA MB . . 4.460 4.287 3.998 4.743 0.283 9 0 "[ . 1]" 1
1136 1 42 GLY HA2 1 43 VAL H . . 3.350 3.397 3.301 3.440 0.090 2 0 "[ . 1]" 1
1137 1 42 GLY HA2 1 43 VAL QG . . 5.260 4.601 4.480 4.926 . 0 0 "[ . 1]" 1
1138 1 42 GLY HA3 1 43 VAL HB . . 5.500 5.456 4.909 5.614 0.114 8 0 "[ . 1]" 1
1139 1 42 GLY HA3 1 43 VAL QG . . 5.440 3.885 3.645 4.715 . 0 0 "[ . 1]" 1
1140 1 43 VAL H 1 43 VAL HB . . 2.850 2.567 2.496 2.639 . 0 0 "[ . 1]" 1
1141 1 43 VAL H 1 43 VAL QG . . 3.030 2.275 2.144 2.403 . 0 0 "[ . 1]" 1
1142 1 43 VAL H 1 44 GLU H . . 4.390 4.466 4.384 4.562 0.172 5 0 "[ . 1]" 1
1143 1 43 VAL H 1 45 LEU QD . . 5.050 5.148 5.005 5.372 0.322 1 0 "[ . 1]" 1
1144 1 43 VAL HA 1 44 GLU H . . 2.400 2.152 2.126 2.192 . 0 0 "[ . 1]" 1
1145 1 43 VAL HA 1 44 GLU QB . . 4.120 4.092 4.026 4.237 0.117 5 0 "[ . 1]" 1
1146 1 43 VAL HB 1 44 GLU H . . 4.490 4.179 4.076 4.223 . 0 0 "[ . 1]" 1
1147 1 43 VAL QG 1 44 GLU H . . 2.850 2.666 2.331 2.755 . 0 0 "[ . 1]" 1
1148 1 43 VAL QG 1 45 LEU H . . 4.910 4.484 4.055 4.715 . 0 0 "[ . 1]" 1
1149 1 43 VAL MG1 1 44 GLU H . . 4.150 2.828 2.597 3.593 . 0 0 "[ . 1]" 1
1150 1 43 VAL MG2 1 44 GLU H . . 4.150 3.919 2.361 4.138 . 0 0 "[ . 1]" 1
1151 1 44 GLU H 1 44 GLU QB . . 2.400 2.242 2.188 2.279 . 0 0 "[ . 1]" 1
1152 1 44 GLU H 1 45 LEU QD . . 4.990 5.143 4.961 5.373 0.383 3 0 "[ . 1]" 1
1153 1 44 GLU HA 1 44 GLU QG . . 3.390 2.519 2.407 2.922 . 0 0 "[ . 1]" 1
1154 1 44 GLU HA 1 45 LEU H . . 2.570 2.162 2.144 2.202 . 0 0 "[ . 1]" 1
1155 1 44 GLU HA 1 45 LEU QD . . 4.580 4.211 3.949 4.416 . 0 0 "[ . 1]" 1
1156 1 44 GLU HA 1 45 LEU HG . . 5.220 3.945 3.676 4.162 . 0 0 "[ . 1]" 1
1157 1 44 GLU QB 1 45 LEU H . . 4.460 3.691 3.376 3.898 . 0 0 "[ . 1]" 1
1158 1 44 GLU QG 1 45 LEU H . . 3.200 2.907 2.362 4.375 1.175 5 1 "[ + 1]" 1
1159 1 45 LEU H 1 45 LEU HB2 . . 2.950 2.485 2.431 2.561 . 0 0 "[ . 1]" 1
1160 1 45 LEU H 1 45 LEU HB3 . . 3.760 3.617 3.588 3.642 . 0 0 "[ . 1]" 1
1161 1 45 LEU H 1 45 LEU QD . . 3.130 3.120 2.980 3.224 0.094 6 0 "[ . 1]" 1
1162 1 45 LEU H 1 45 LEU HG . . 2.740 2.436 2.299 2.607 . 0 0 "[ . 1]" 1
1163 1 45 LEU H 1 46 THR H . . 4.870 4.369 4.174 4.569 . 0 0 "[ . 1]" 1
1164 1 45 LEU H 1 55 PHE QE . . 5.380 5.699 5.085 6.192 0.812 6 4 "[ *+ *-1]" 1
1165 1 45 LEU H 1 55 PHE HZ . . 5.230 5.266 4.615 5.892 0.662 6 1 "[ .+ 1]" 1
1166 1 45 LEU HA 1 45 LEU QD . . 2.690 2.006 1.943 2.093 . 0 0 "[ . 1]" 1
1167 1 45 LEU HA 1 46 THR H . . 2.400 2.145 2.103 2.174 . 0 0 "[ . 1]" 1
1168 1 45 LEU HB2 1 46 THR H . . 3.910 4.301 4.051 4.429 0.519 9 2 "[ - . +1]" 1
1169 1 45 LEU HB2 1 55 PHE HZ . . 4.360 2.879 2.072 3.579 . 0 0 "[ . 1]" 1
1170 1 45 LEU HB3 1 53 TYR QD . . 4.960 3.865 3.071 4.471 . 0 0 "[ . 1]" 1
1171 1 45 LEU HB3 1 55 PHE QE . . 5.320 3.893 3.322 4.278 . 0 0 "[ . 1]" 1
1172 1 45 LEU HB3 1 55 PHE HZ . . 4.070 2.621 1.845 3.146 . 0 0 "[ . 1]" 1
1173 1 45 LEU QD 1 46 THR H . . 3.650 3.621 3.444 3.790 0.140 4 0 "[ . 1]" 1
1174 1 45 LEU QD 1 53 TYR QD . . 3.840 3.276 2.907 3.928 0.088 6 0 "[ . 1]" 1
1175 1 45 LEU QD 1 53 TYR QE . . 3.700 2.729 2.137 3.600 . 0 0 "[ . 1]" 1
1176 1 45 LEU QD 1 55 PHE QD . . 4.850 4.905 4.247 5.336 0.486 2 0 "[ . 1]" 1
1177 1 45 LEU QD 1 55 PHE QE . . 3.650 3.158 2.378 3.645 . 0 0 "[ . 1]" 1
1178 1 45 LEU QD 1 55 PHE HZ . . 3.730 3.082 2.417 3.584 . 0 0 "[ . 1]" 1
1179 1 45 LEU QD 1 64 LEU QD . . 3.080 2.532 2.069 2.957 . 0 0 "[ . 1]" 1
1180 1 45 LEU QD 1 77 TYR QB . . 5.440 4.489 3.972 4.811 . 0 0 "[ . 1]" 1
1181 1 45 LEU MD1 1 46 THR H . . 5.070 5.215 4.857 5.381 0.311 2 0 "[ . 1]" 1
1182 1 45 LEU MD2 1 46 THR H . . 5.070 3.694 3.523 3.874 . 0 0 "[ . 1]" 1
1183 1 45 LEU HG 1 64 LEU QD . . 5.440 4.775 4.215 5.271 . 0 0 "[ . 1]" 1
1184 1 46 THR H 1 46 THR MG . . 2.620 1.991 1.883 2.129 . 0 0 "[ . 1]" 1
1185 1 46 THR H 1 47 ARG HA . . 5.330 5.389 5.158 5.517 0.187 4 0 "[ . 1]" 1
1186 1 46 THR H 1 47 ARG QD . . 5.500 5.242 4.690 6.359 0.859 8 2 "[ . +-1]" 1
1187 1 46 THR H 1 53 TYR QD . . 5.390 5.451 4.762 6.215 0.825 10 1 "[ . +]" 1
1188 1 46 THR H 1 55 PHE QE . . 5.500 5.667 5.016 6.222 0.722 9 2 "[ .- +1]" 1
1189 1 46 THR H 1 55 PHE HZ . . 4.230 5.276 4.890 5.818 1.588 9 10 [********+-] 1
1190 1 46 THR HA 1 46 THR MG . . 3.340 3.217 3.212 3.224 . 0 0 "[ . 1]" 1
1191 1 46 THR HA 1 47 ARG H . . 2.420 2.220 2.119 2.359 . 0 0 "[ . 1]" 1
1192 1 46 THR HA 1 47 ARG HA . . 4.560 4.383 4.358 4.407 . 0 0 "[ . 1]" 1
1193 1 46 THR HA 1 47 ARG QB . . 4.740 4.390 4.184 4.619 . 0 0 "[ . 1]" 1
1194 1 46 THR HA 1 47 ARG HG2 . . 4.470 4.540 3.380 5.362 0.892 6 2 "[ - .+ 1]" 1
1195 1 46 THR HA 1 55 PHE QE . . 5.200 5.596 5.162 6.058 0.858 6 4 "[- .+* *1]" 1
1196 1 46 THR HA 1 55 PHE HZ . . 4.790 5.668 5.254 5.998 1.208 9 8 "[* * ***-+*]" 1
1197 1 46 THR MG 1 47 ARG H . . 3.300 3.766 3.348 4.105 0.805 9 5 "[ *-** +1]" 1
1198 1 46 THR MG 1 47 ARG HA . . 4.050 3.948 3.732 4.222 0.172 9 0 "[ . 1]" 1
1199 1 46 THR MG 1 47 ARG QD . . 5.050 5.008 4.678 5.953 0.903 9 2 "[ . -+1]" 1
1200 1 46 THR MG 1 48 GLU H . . 3.250 3.312 2.828 3.952 0.702 5 1 "[ + 1]" 1
1201 1 46 THR MG 1 48 GLU HA . . 4.990 5.462 5.065 5.934 0.944 5 5 "[* +* *-]" 1
1202 1 46 THR MG 1 48 GLU QB . . 3.390 3.766 3.200 4.187 0.797 1 4 "[+ * *-1]" 1
1203 1 46 THR MG 1 49 GLU H . . 3.500 3.086 2.507 3.507 0.007 1 0 "[ . 1]" 1
1204 1 46 THR MG 1 49 GLU QG . . 3.280 3.201 2.182 3.820 0.540 5 2 "[ + -]" 1
1205 1 47 ARG H 1 47 ARG QB . . 3.820 2.998 2.714 3.101 . 0 0 "[ . 1]" 1
1206 1 47 ARG H 1 47 ARG QD . . 3.950 2.139 1.715 3.774 . 0 0 "[ . 1]" 1
1207 1 47 ARG H 1 47 ARG HG2 . . 2.830 2.551 1.894 3.243 0.413 6 0 "[ . 1]" 1
1208 1 47 ARG H 1 48 GLU H . . 2.900 2.134 1.889 2.460 . 0 0 "[ . 1]" 1
1209 1 47 ARG H 1 48 GLU HA . . 4.510 4.443 4.286 4.639 0.129 9 0 "[ . 1]" 1
1210 1 47 ARG H 1 48 GLU QB . . 4.270 4.258 3.880 4.763 0.493 9 0 "[ . 1]" 1
1211 1 47 ARG H 1 48 GLU QG . . 3.960 3.272 2.795 4.484 0.524 5 1 "[ + 1]" 1
1212 1 47 ARG H 1 55 PHE QE . . 4.950 4.993 4.622 5.283 0.333 3 0 "[ . 1]" 1
1213 1 47 ARG H 1 55 PHE HZ . . 5.500 5.782 5.495 6.024 0.524 3 2 "[ + . -]" 1
1214 1 47 ARG HA 1 47 ARG QD . . 3.980 3.664 3.413 4.151 0.171 9 0 "[ . 1]" 1
1215 1 47 ARG HA 1 47 ARG HG2 . . 3.740 3.674 3.569 3.741 0.001 6 0 "[ . 1]" 1
1216 1 47 ARG HA 1 48 GLU H . . 3.570 3.145 3.049 3.250 . 0 0 "[ . 1]" 1
1217 1 47 ARG HA 1 55 PHE QE . . 3.810 2.820 2.534 3.308 . 0 0 "[ . 1]" 1
1218 1 47 ARG HA 1 55 PHE HZ . . 4.740 4.591 4.282 5.043 0.303 1 0 "[ . 1]" 1
1219 1 47 ARG QB 1 48 GLU H . . 4.460 3.921 3.844 3.975 . 0 0 "[ . 1]" 1
1220 1 47 ARG QB 1 49 GLU H . . 5.100 5.299 4.993 5.784 0.684 6 1 "[ .+ 1]" 1
1221 1 47 ARG QB 1 55 PHE QE . . 5.500 2.927 2.644 3.230 . 0 0 "[ . 1]" 1
1222 1 47 ARG QD 1 48 GLU H . . 4.160 3.972 3.235 5.246 1.086 8 2 "[ . +-1]" 1
1223 1 47 ARG HG2 1 48 GLU H . . 3.270 3.441 3.175 3.895 0.625 6 1 "[ .+ 1]" 1
1224 1 47 ARG HG2 1 48 GLU HA . . 4.060 4.018 3.286 4.975 0.915 8 1 "[ . + 1]" 1
1225 1 47 ARG HG2 1 49 GLU H . . 5.300 5.695 5.300 6.186 0.886 6 3 "[ * -+ 1]" 1
1226 1 47 ARG HG2 1 55 PHE QE . . 5.500 5.566 5.133 5.956 0.456 3 0 "[ . 1]" 1
1227 1 48 GLU H 1 48 GLU HA . . 2.890 2.841 2.785 2.888 . 0 0 "[ . 1]" 1
1228 1 48 GLU H 1 48 GLU QB . . 2.640 2.496 2.373 2.657 0.017 9 0 "[ . 1]" 1
1229 1 48 GLU H 1 48 GLU QG . . 2.780 2.247 1.969 3.168 0.388 5 0 "[ . 1]" 1
1230 1 48 GLU HA 1 48 GLU QB . . 2.580 2.336 2.181 2.404 . 0 0 "[ . 1]" 1
1231 1 48 GLU HA 1 48 GLU QG . . 2.930 2.849 2.396 3.347 0.417 8 0 "[ . 1]" 1
1232 1 49 GLU H 1 49 GLU HA . . 2.870 2.912 2.884 2.937 0.067 6 0 "[ . 1]" 1
1233 1 49 GLU H 1 49 GLU QG . . 2.980 2.470 2.318 2.715 . 0 0 "[ . 1]" 1
1234 1 49 GLU HA 1 50 THR H . . 2.460 2.151 2.124 2.212 . 0 0 "[ . 1]" 1
1235 1 49 GLU QB 1 50 THR H . . 3.160 3.360 2.947 3.543 0.383 6 0 "[ . 1]" 1
1236 1 49 GLU QB 1 50 THR HA . . 4.430 4.418 4.289 4.518 0.088 9 0 "[ . 1]" 1
1237 1 49 GLU QG 1 50 THR H . . 4.170 4.298 3.931 4.399 0.229 9 0 "[ . 1]" 1
1238 1 49 GLU QG 1 50 THR HA . . 4.850 4.169 3.739 4.334 . 0 0 "[ . 1]" 1
1239 1 49 GLU QG 1 51 PHE H . . 5.460 4.990 4.318 5.448 . 0 0 "[ . 1]" 1
1240 1 50 THR H 1 50 THR HB . . 4.090 3.482 3.011 3.755 . 0 0 "[ . 1]" 1
1241 1 50 THR H 1 51 PHE QB . . 5.270 5.398 4.850 5.923 0.653 5 1 "[ + 1]" 1
1242 1 50 THR H 1 52 LYS H . . 5.380 5.520 5.192 5.999 0.619 5 1 "[ + 1]" 1
1243 1 50 THR HA 1 50 THR HB . . 2.830 2.761 2.532 2.971 0.141 5 0 "[ . 1]" 1
1244 1 50 THR HA 1 50 THR MG . . 2.900 2.194 2.132 2.281 . 0 0 "[ . 1]" 1
1245 1 50 THR HA 1 51 PHE H . . 2.940 2.190 2.130 2.257 . 0 0 "[ . 1]" 1
1246 1 50 THR HA 1 51 PHE QB . . 4.520 4.479 4.252 4.646 0.126 6 0 "[ . 1]" 1
1247 1 50 THR HA 1 51 PHE QD . . 4.370 4.098 3.637 4.708 0.338 6 0 "[ . 1]" 1
1248 1 50 THR HA 1 51 PHE QE . . 5.500 5.414 4.759 5.800 0.300 8 0 "[ . 1]" 1
1249 1 50 THR HA 1 52 LYS H . . 3.640 3.340 3.126 3.861 0.221 5 0 "[ . 1]" 1
1250 1 50 THR HA 1 52 LYS QD . . 5.250 6.485 5.703 6.638 1.388 5 9 "[-***+ ****]" 1
1251 1 50 THR HA 1 53 TYR H . . 4.330 3.726 3.231 4.557 0.227 10 0 "[ . 1]" 1
1252 1 50 THR HA 1 53 TYR QD . . 5.500 4.385 3.598 5.646 0.146 10 0 "[ . 1]" 1
1253 1 50 THR HB 1 51 PHE H . . 4.350 3.978 3.636 4.094 . 0 0 "[ . 1]" 1
1254 1 50 THR HB 1 52 LYS H . . 3.450 4.267 3.548 4.547 1.097 6 8 "[ ** *+**-*]" 1
1255 1 50 THR HB 1 53 TYR H . . 3.790 3.391 2.812 3.832 0.042 2 0 "[ . 1]" 1
1256 1 50 THR HB 1 53 TYR QD . . 4.870 4.486 3.622 5.313 0.443 2 0 "[ . 1]" 1
1257 1 50 THR HB 1 54 ARG QD . . 4.580 4.307 2.760 6.131 1.551 3 3 "[ + * - 1]" 1
1258 1 50 THR MG 1 51 PHE H . . 3.750 3.635 2.828 4.104 0.354 9 0 "[ . 1]" 1
1259 1 50 THR MG 1 51 PHE HA . . 5.500 5.093 4.482 5.597 0.097 9 0 "[ . 1]" 1
1260 1 50 THR MG 1 52 LYS QE . . 4.120 4.654 3.401 5.217 1.097 8 7 "[** *.-*+*1]" 1
1261 1 50 THR MG 1 53 TYR H . . 3.150 2.784 1.769 3.619 0.469 9 0 "[ . 1]" 1
1262 1 50 THR MG 1 53 TYR QB . . 4.160 2.380 1.769 3.866 . 0 0 "[ . 1]" 1
1263 1 50 THR MG 1 53 TYR QD . . 3.780 2.538 1.998 3.247 . 0 0 "[ . 1]" 1
1264 1 50 THR MG 1 53 TYR QE . . 4.540 4.177 2.478 5.104 0.564 1 1 "[+ . 1]" 1
1265 1 51 PHE H 1 51 PHE QB . . 2.830 2.472 2.357 2.585 . 0 0 "[ . 1]" 1
1266 1 51 PHE H 1 51 PHE QD . . 3.490 2.671 2.346 3.101 . 0 0 "[ . 1]" 1
1267 1 51 PHE H 1 52 LYS H . . 3.160 2.074 1.951 2.372 . 0 0 "[ . 1]" 1
1268 1 51 PHE H 1 52 LYS QB . . 4.760 4.185 3.802 4.469 . 0 0 "[ . 1]" 1
1269 1 51 PHE H 1 52 LYS QE . . 5.120 4.510 4.198 4.897 . 0 0 "[ . 1]" 1
1270 1 51 PHE H 1 52 LYS QG . . 4.680 3.673 3.013 4.956 0.276 4 0 "[ . 1]" 1
1271 1 51 PHE H 1 53 TYR H . . 4.010 3.713 3.340 4.242 0.232 4 0 "[ . 1]" 1
1272 1 51 PHE HA 1 51 PHE QB . . 2.640 2.372 2.317 2.439 . 0 0 "[ . 1]" 1
1273 1 51 PHE HA 1 51 PHE QE . . 5.500 4.621 4.498 4.756 . 0 0 "[ . 1]" 1
1274 1 51 PHE HA 1 52 LYS HA . . 4.860 4.635 4.563 4.724 . 0 0 "[ . 1]" 1
1275 1 51 PHE QB 1 52 LYS HA . . 5.290 4.012 3.767 4.166 . 0 0 "[ . 1]" 1
1276 1 51 PHE HB2 1 52 LYS H . . 4.540 3.035 2.578 3.452 . 0 0 "[ . 1]" 1
1277 1 51 PHE HB3 1 52 LYS H . . 4.540 3.976 3.752 4.153 . 0 0 "[ . 1]" 1
1278 1 51 PHE QD 1 52 LYS QG . . 5.500 4.603 3.758 5.665 0.165 4 0 "[ . 1]" 1
1279 1 52 LYS H 1 52 LYS QB . . 2.870 2.504 2.303 2.878 0.008 6 0 "[ . 1]" 1
1280 1 52 LYS H 1 52 LYS QD . . 4.020 4.311 3.912 4.622 0.602 4 1 "[ +. 1]" 1
1281 1 52 LYS H 1 52 LYS QE . . 4.800 3.680 3.444 4.054 . 0 0 "[ . 1]" 1
1282 1 52 LYS H 1 52 LYS QG . . 3.140 2.459 1.870 3.687 0.547 4 1 "[ +. 1]" 1
1283 1 52 LYS H 1 53 TYR H . . 2.660 2.291 2.179 2.477 . 0 0 "[ . 1]" 1
1284 1 52 LYS H 1 53 TYR HA . . 4.870 4.959 4.801 5.108 0.238 5 0 "[ . 1]" 1
1285 1 52 LYS H 1 53 TYR QB . . 4.550 4.679 4.410 5.349 0.799 10 1 "[ . +]" 1
1286 1 52 LYS H 1 53 TYR QD . . 5.210 4.455 3.995 4.779 . 0 0 "[ . 1]" 1
1287 1 52 LYS H 1 67 ASN H . . 5.500 5.837 5.491 6.240 0.740 1 2 "[+ - 1]" 1
1288 1 52 LYS HA 1 52 LYS QD . . 4.410 4.053 3.922 4.268 . 0 0 "[ . 1]" 1
1289 1 52 LYS HA 1 52 LYS QE . . 4.690 4.513 4.257 5.397 0.707 6 1 "[ .+ 1]" 1
1290 1 52 LYS HA 1 52 LYS QG . . 3.320 2.534 2.222 3.315 . 0 0 "[ . 1]" 1
1291 1 52 LYS HA 1 54 ARG QD . . 5.500 5.531 4.556 6.417 0.917 7 1 "[ . + 1]" 1
1292 1 52 LYS HA 1 67 ASN H . . 3.870 3.656 3.171 4.131 0.261 1 0 "[ . 1]" 1
1293 1 52 LYS HA 1 67 ASN QB . . 4.130 2.900 2.396 3.606 . 0 0 "[ . 1]" 1
1294 1 52 LYS HA 1 67 ASN QD . . 3.590 3.170 2.661 3.718 0.128 2 0 "[ . 1]" 1
1295 1 52 LYS HA 1 68 GLU H . . 5.120 3.411 2.808 4.558 . 0 0 "[ . 1]" 1
1296 1 52 LYS HA 1 68 GLU QB . . 4.850 4.045 3.311 5.258 0.408 1 0 "[ . 1]" 1
1297 1 52 LYS QB 1 53 TYR H . . 2.990 2.664 2.393 3.614 0.624 6 1 "[ .+ 1]" 1
1298 1 52 LYS QB 1 53 TYR QD . . 4.730 3.235 2.592 3.532 . 0 0 "[ . 1]" 1
1299 1 52 LYS QB 1 53 TYR QE . . 4.800 3.336 2.876 3.807 . 0 0 "[ . 1]" 1
1300 1 52 LYS QB 1 67 ASN QD . . 4.670 4.520 3.903 5.312 0.642 4 1 "[ +. 1]" 1
1301 1 52 LYS QB 1 68 GLU H . . 4.090 3.544 2.738 3.919 . 0 0 "[ . 1]" 1
1302 1 52 LYS QB 1 68 GLU QG . . 4.010 5.076 3.992 5.753 1.743 3 9 "[**+*- ****]" 1
1303 1 52 LYS QD 1 53 TYR H . . 4.470 5.099 4.619 5.567 1.097 7 8 "[*-* * +***]" 1
1304 1 52 LYS QD 1 53 TYR QE . . 4.370 4.073 2.892 4.642 0.272 8 0 "[ . 1]" 1
1305 1 52 LYS QE 1 52 LYS QG . . 3.390 2.336 2.120 2.421 . 0 0 "[ . 1]" 1
1306 1 52 LYS QE 1 53 TYR H . . 5.030 4.230 3.892 5.064 0.034 4 0 "[ . 1]" 1
1307 1 52 LYS QE 1 53 TYR QE . . 4.450 2.902 2.291 5.050 0.600 4 1 "[ +. 1]" 1
1308 1 52 LYS QG 1 53 TYR H . . 3.940 3.850 2.565 4.343 0.403 4 0 "[ . 1]" 1
1309 1 52 LYS QG 1 53 TYR QD . . 5.260 4.740 3.113 5.245 . 0 0 "[ . 1]" 1
1310 1 52 LYS QG 1 67 ASN QD . . 4.840 5.022 4.573 5.574 0.734 2 1 "[ + . 1]" 1
1311 1 52 LYS QG 1 68 GLU QG . . 4.320 4.854 2.842 5.959 1.639 6 7 "[*** .+ *-*]" 1
1312 1 53 TYR H 1 53 TYR QB . . 2.910 2.713 2.538 3.232 0.322 10 0 "[ . 1]" 1
1313 1 53 TYR H 1 53 TYR QD . . 3.340 3.102 2.645 3.473 0.133 6 0 "[ . 1]" 1
1314 1 53 TYR H 1 54 ARG H . . 4.690 4.463 4.360 4.540 . 0 0 "[ . 1]" 1
1315 1 53 TYR H 1 54 ARG QD . . 4.500 4.834 3.693 6.025 1.525 5 4 "[ * + *-1]" 1
1316 1 53 TYR H 1 64 LEU QD . . 5.440 5.033 4.831 5.321 . 0 0 "[ . 1]" 1
1317 1 53 TYR HA 1 53 TYR QD . . 3.490 2.692 2.319 3.631 0.141 10 0 "[ . 1]" 1
1318 1 53 TYR HA 1 53 TYR QE . . 4.740 4.772 4.609 5.553 0.813 10 1 "[ . +]" 1
1319 1 53 TYR HA 1 54 ARG H . . 2.770 2.247 2.138 2.347 . 0 0 "[ . 1]" 1
1320 1 53 TYR HA 1 54 ARG HA . . 4.780 4.434 4.382 4.508 . 0 0 "[ . 1]" 1
1321 1 53 TYR HA 1 54 ARG QD . . 4.960 4.545 3.187 5.317 0.357 5 0 "[ . 1]" 1
1322 1 53 TYR HA 1 64 LEU QD . . 4.170 3.515 3.270 4.028 . 0 0 "[ . 1]" 1
1323 1 53 TYR HA 1 66 ILE HA . . 3.670 2.535 2.213 2.775 . 0 0 "[ . 1]" 1
1324 1 53 TYR HA 1 66 ILE MD . . 4.940 5.032 4.713 5.401 0.461 1 0 "[ . 1]" 1
1325 1 53 TYR HA 1 67 ASN H . . 3.890 3.374 2.811 3.767 . 0 0 "[ . 1]" 1
1326 1 53 TYR HA 1 67 ASN QD . . 5.110 3.781 2.747 5.398 0.288 4 0 "[ . 1]" 1
1327 1 53 TYR HA 1 68 GLU H . . 5.270 5.382 4.935 5.798 0.528 3 1 "[ + . 1]" 1
1328 1 53 TYR QB 1 54 ARG H . . 3.220 2.864 2.522 3.198 . 0 0 "[ . 1]" 1
1329 1 53 TYR QB 1 64 LEU QD . . 3.520 2.007 1.808 2.232 . 0 0 "[ . 1]" 1
1330 1 53 TYR QB 1 66 ILE MD . . 4.590 4.633 3.291 5.095 0.505 8 1 "[ . + 1]" 1
1331 1 53 TYR QB 1 66 ILE MG . . 5.430 4.384 2.695 4.860 . 0 0 "[ . 1]" 1
1332 1 53 TYR QD 1 54 ARG H . . 4.390 4.232 3.992 4.487 0.097 10 0 "[ . 1]" 1
1333 1 53 TYR QD 1 64 LEU QD . . 4.400 2.940 2.302 3.713 . 0 0 "[ . 1]" 1
1334 1 53 TYR QD 1 66 ILE H . . 5.500 4.928 4.561 5.464 . 0 0 "[ . 1]" 1
1335 1 53 TYR QD 1 66 ILE HA . . 4.100 2.910 2.117 3.565 . 0 0 "[ . 1]" 1
1336 1 53 TYR QD 1 66 ILE MD . . 3.670 3.186 2.970 3.739 0.069 6 0 "[ . 1]" 1
1337 1 53 TYR QD 1 66 ILE QG . . 4.390 1.911 1.746 2.405 . 0 0 "[ . 1]" 1
1338 1 53 TYR QD 1 66 ILE MG . . 4.000 2.601 1.901 3.406 . 0 0 "[ . 1]" 1
1339 1 53 TYR QD 1 67 ASN H . . 4.510 4.440 3.312 5.284 0.774 4 2 "[ +. - 1]" 1
1340 1 53 TYR QE 1 66 ILE MD . . 3.450 2.678 2.254 3.837 0.387 10 0 "[ . 1]" 1
1341 1 53 TYR QE 1 66 ILE QG . . 4.170 3.018 2.454 4.226 0.056 10 0 "[ . 1]" 1
1342 1 53 TYR QE 1 66 ILE MG . . 3.880 2.671 1.770 3.652 . 0 0 "[ . 1]" 1
1343 1 53 TYR QE 1 73 ASP QB . . 4.950 4.171 2.895 5.027 0.077 7 0 "[ . 1]" 1
1344 1 54 ARG H 1 54 ARG QD . . 3.890 3.845 2.835 4.395 0.505 5 1 "[ + 1]" 1
1345 1 54 ARG H 1 64 LEU QD . . 3.510 2.979 2.439 3.483 . 0 0 "[ . 1]" 1
1346 1 54 ARG H 1 65 ILE H . . 3.700 3.084 2.866 3.229 . 0 0 "[ . 1]" 1
1347 1 54 ARG H 1 65 ILE HA . . 5.330 4.844 4.537 5.185 . 0 0 "[ . 1]" 1
1348 1 54 ARG H 1 65 ILE HB . . 5.410 4.627 3.320 5.722 0.312 8 0 "[ . 1]" 1
1349 1 54 ARG H 1 65 ILE MG . . 4.050 2.917 2.240 3.399 . 0 0 "[ . 1]" 1
1350 1 54 ARG H 1 66 ILE H . . 5.500 5.078 4.779 5.348 . 0 0 "[ . 1]" 1
1351 1 54 ARG H 1 66 ILE MD . . 5.280 6.073 5.764 6.323 1.043 7 9 "[* *-**+***]" 1
1352 1 54 ARG H 1 67 ASN QD . . 5.460 4.184 3.415 5.310 . 0 0 "[ . 1]" 1
1353 1 54 ARG HA 1 54 ARG QD . . 3.740 3.031 1.804 4.220 0.480 3 0 "[ . 1]" 1
1354 1 54 ARG HA 1 54 ARG QG . . 3.790 2.473 2.222 3.037 . 0 0 "[ . 1]" 1
1355 1 54 ARG HA 1 55 PHE H . . 2.400 2.154 2.112 2.223 . 0 0 "[ . 1]" 1
1356 1 54 ARG HA 1 55 PHE HA . . 5.100 4.356 4.326 4.390 . 0 0 "[ . 1]" 1
1357 1 54 ARG HA 1 55 PHE QD . . 4.790 3.539 3.356 3.801 . 0 0 "[ . 1]" 1
1358 1 54 ARG HA 1 64 LEU QD . . 4.470 4.384 4.227 4.764 0.294 4 0 "[ . 1]" 1
1359 1 54 ARG HA 1 65 ILE MG . . 5.500 4.393 3.790 5.787 0.287 10 0 "[ . 1]" 1
1360 1 54 ARG QB 1 55 PHE H . . 3.450 3.248 2.913 3.638 0.188 4 0 "[ . 1]" 1
1361 1 54 ARG QB 1 65 ILE MG . . 3.660 2.212 1.692 3.804 0.144 10 0 "[ . 1]" 1
1362 1 54 ARG QB 1 67 ASN H . . 4.810 5.299 4.307 6.028 1.218 6 6 "[* * -+ * *]" 1
1363 1 54 ARG QB 1 67 ASN QD . . 4.830 3.386 2.501 4.511 . 0 0 "[ . 1]" 1
1364 1 54 ARG QD 1 65 ILE HB . . 5.500 5.738 4.568 6.726 1.226 6 4 "[ * .+* -1]" 1
1365 1 54 ARG QD 1 65 ILE MG . . 3.330 3.516 1.944 4.508 1.178 10 4 "[ *.-* +]" 1
1366 1 54 ARG QD 1 67 ASN H . . 5.070 5.178 4.477 6.385 1.315 7 2 "[ .-+ 1]" 1
1367 1 54 ARG QD 1 67 ASN QD . . 3.850 2.485 1.763 3.894 0.044 6 0 "[ . 1]" 1
1368 1 54 ARG QG 1 55 PHE H . . 3.740 3.733 3.068 4.735 0.995 6 1 "[ .+ 1]" 1
1369 1 54 ARG QG 1 64 LEU QD . . 5.440 5.384 4.831 5.860 0.420 4 0 "[ . 1]" 1
1370 1 54 ARG QG 1 67 ASN QD . . 4.110 3.141 1.783 4.303 0.193 7 0 "[ . 1]" 1
1371 1 55 PHE H 1 55 PHE QB . . 2.920 2.498 2.456 2.559 . 0 0 "[ . 1]" 1
1372 1 55 PHE H 1 55 PHE QD . . 3.140 2.492 2.279 2.942 . 0 0 "[ . 1]" 1
1373 1 55 PHE H 1 56 LYS HA . . 5.500 5.021 4.825 5.165 . 0 0 "[ . 1]" 1
1374 1 55 PHE H 1 56 LYS QD . . 4.530 4.475 3.486 6.041 1.511 4 3 "[ *+. - 1]" 1
1375 1 55 PHE H 1 56 LYS QE . . 5.250 5.426 4.312 6.724 1.474 8 3 "[ - . + *]" 1
1376 1 55 PHE H 1 64 LEU QD . . 4.620 4.406 4.188 4.808 0.188 4 0 "[ . 1]" 1
1377 1 55 PHE HA 1 55 PHE QD . . 3.910 2.951 2.738 3.065 . 0 0 "[ . 1]" 1
1378 1 55 PHE HA 1 56 LYS H . . 2.530 2.148 2.118 2.173 . 0 0 "[ . 1]" 1
1379 1 55 PHE HA 1 56 LYS QB . . 4.450 4.339 4.273 4.427 . 0 0 "[ . 1]" 1
1380 1 55 PHE HA 1 64 LEU H . . 5.380 5.306 4.994 5.862 0.482 8 0 "[ . 1]" 1
1381 1 55 PHE HA 1 64 LEU HA . . 3.600 3.010 2.765 3.585 . 0 0 "[ . 1]" 1
1382 1 55 PHE HA 1 64 LEU QD . . 3.710 3.273 3.025 3.647 . 0 0 "[ . 1]" 1
1383 1 55 PHE QB 1 56 LYS H . . 3.220 3.376 3.194 3.461 0.241 1 0 "[ . 1]" 1
1384 1 55 PHE QB 1 63 HIS H . . 5.500 5.242 4.650 6.196 0.696 8 1 "[ . + 1]" 1
1385 1 55 PHE QD 1 64 LEU HA . . 5.500 4.120 3.709 4.861 . 0 0 "[ . 1]" 1
1386 1 55 PHE QD 1 64 LEU QD . . 5.090 2.844 2.604 3.075 . 0 0 "[ . 1]" 1
1387 1 55 PHE QE 1 64 LEU QD . . 2.970 2.491 2.303 2.934 . 0 0 "[ . 1]" 1
1388 1 55 PHE HZ 1 64 LEU QD . . 4.970 3.406 2.905 3.880 . 0 0 "[ . 1]" 1
1389 1 56 LYS H 1 56 LYS QB . . 3.240 2.445 2.316 2.589 . 0 0 "[ . 1]" 1
1390 1 56 LYS H 1 56 LYS QD . . 3.590 3.024 2.308 3.991 0.401 8 0 "[ . 1]" 1
1391 1 56 LYS H 1 56 LYS QE . . 5.080 4.372 2.908 5.220 0.140 3 0 "[ . 1]" 1
1392 1 56 LYS H 1 62 HIS QB . . 5.130 4.497 3.944 4.847 . 0 0 "[ . 1]" 1
1393 1 56 LYS H 1 63 HIS H . . 3.220 3.048 2.763 3.360 0.140 8 0 "[ . 1]" 1
1394 1 56 LYS H 1 63 HIS QB . . 4.610 3.261 2.717 4.343 . 0 0 "[ . 1]" 1
1395 1 56 LYS H 1 64 LEU HA . . 3.780 3.716 3.480 4.038 0.258 4 0 "[ . 1]" 1
1396 1 56 LYS H 1 64 LEU QB . . 4.590 5.038 4.817 5.438 0.848 4 3 "[ * +- 1]" 1
1397 1 56 LYS H 1 64 LEU QD . . 4.500 4.608 4.327 4.996 0.496 4 0 "[ . 1]" 1
1398 1 56 LYS HA 1 56 LYS QG . . 3.360 2.368 2.254 2.506 . 0 0 "[ . 1]" 1
1399 1 56 LYS HA 1 57 LYS H . . 2.570 2.172 2.102 2.254 . 0 0 "[ . 1]" 1
1400 1 56 LYS QB 1 56 LYS QE . . 4.140 3.010 1.835 3.850 . 0 0 "[ . 1]" 1
1401 1 56 LYS QB 1 62 HIS HA . . 4.720 4.461 3.952 4.743 0.023 10 0 "[ . 1]" 1
1402 1 56 LYS QB 1 63 HIS H . . 3.710 2.953 2.353 3.261 . 0 0 "[ . 1]" 1
1403 1 56 LYS QB 1 63 HIS HA . . 4.770 4.465 4.192 4.802 0.032 1 0 "[ . 1]" 1
1404 1 56 LYS QB 1 63 HIS QB . . 3.830 1.890 1.708 2.343 . 0 0 "[ . 1]" 1
1405 1 56 LYS QB 1 63 HIS HD2 . . 4.070 3.055 2.128 4.543 0.473 1 0 "[ . 1]" 1
1406 1 56 LYS QB 1 64 LEU H . . 5.170 5.371 5.068 5.703 0.533 1 1 "[+ . 1]" 1
1407 1 56 LYS QD 1 63 HIS H . . 5.060 4.703 4.070 5.004 . 0 0 "[ . 1]" 1
1408 1 56 LYS QD 1 63 HIS QB . . 4.990 3.010 2.305 3.862 . 0 0 "[ . 1]" 1
1409 1 56 LYS QD 1 65 ILE MD . . 4.540 4.332 1.790 5.884 1.344 1 5 "[+*- .* *1]" 1
1410 1 56 LYS QD 1 65 ILE MG . . 4.220 3.086 2.128 4.418 0.198 4 0 "[ . 1]" 1
1411 1 56 LYS HD2 1 65 ILE MG . . 4.990 3.535 2.228 4.832 . 0 0 "[ . 1]" 1
1412 1 56 LYS HD3 1 65 ILE MG . . 4.990 3.648 2.437 5.741 0.751 4 1 "[ +. 1]" 1
1413 1 56 LYS QE 1 64 LEU QD . . 5.220 5.822 4.667 6.558 1.338 8 7 "[ **** +*-]" 1
1414 1 56 LYS QE 1 65 ILE HB . . 3.860 3.558 2.034 4.588 0.728 2 4 "[ +- . **1]" 1
1415 1 56 LYS QE 1 65 ILE MD . . 3.950 4.263 1.869 5.549 1.599 2 6 "[-+* .* **1]" 1
1416 1 56 LYS QE 1 65 ILE MG . . 3.690 2.899 1.789 3.837 0.147 10 0 "[ . 1]" 1
1417 1 56 LYS QG 1 63 HIS H . . 5.340 4.948 4.295 5.284 . 0 0 "[ . 1]" 1
1418 1 56 LYS QG 1 63 HIS HD2 . . 5.340 4.920 3.796 6.511 1.171 8 2 "[- . + 1]" 1
1419 1 57 LYS H 1 57 LYS QB . . 3.190 2.421 2.284 2.562 . 0 0 "[ . 1]" 1
1420 1 57 LYS H 1 57 LYS QD . . 4.140 4.793 4.595 5.256 1.116 9 9 [-*******+1] 1
1421 1 57 LYS H 1 57 LYS QG . . 3.910 4.034 3.938 4.106 0.196 8 0 "[ . 1]" 1
1422 1 57 LYS HA 1 58 ASP H . . 2.400 2.155 2.116 2.171 . 0 0 "[ . 1]" 1
1423 1 57 LYS HA 1 62 HIS HA . . 3.500 2.710 2.234 3.059 . 0 0 "[ . 1]" 1
1424 1 57 LYS HA 1 63 HIS H . . 3.890 3.789 3.593 4.147 0.257 8 0 "[ . 1]" 1
1425 1 57 LYS HA 1 63 HIS HD2 . . 4.300 4.437 3.594 5.806 1.506 8 2 "[- . + 1]" 1
1426 1 57 LYS QB 1 57 LYS QE . . 2.770 2.074 1.875 2.711 . 0 0 "[ . 1]" 1
1427 1 57 LYS QB 1 58 ASP H . . 3.800 3.848 3.730 3.914 0.114 1 0 "[ . 1]" 1
1428 1 57 LYS QB 1 59 GLY H . . 4.810 4.709 4.346 5.255 0.445 10 0 "[ . 1]" 1
1429 1 57 LYS QB 1 62 HIS HE1 . . 3.290 3.732 2.482 4.292 1.002 10 7 "[ *-**** +]" 1
1430 1 57 LYS QD 1 58 ASP H . . 3.910 4.765 3.915 5.152 1.242 3 9 "[**+*** *-*]" 1
1431 1 57 LYS QD 1 59 GLY H . . 4.550 4.171 3.693 4.810 0.260 7 0 "[ . 1]" 1
1432 1 57 LYS QD 1 62 HIS HE1 . . 4.610 3.635 2.246 4.483 . 0 0 "[ . 1]" 1
1433 1 57 LYS QE 1 57 LYS QG . . 3.180 2.410 2.315 2.770 . 0 0 "[ . 1]" 1
1434 1 57 LYS QE 1 58 ASP H . . 5.440 5.508 5.256 5.781 0.341 8 0 "[ . 1]" 1
1435 1 57 LYS QE 1 59 GLY H . . 5.250 5.792 4.667 6.399 1.149 7 7 "[ ***-+* *]" 1
1436 1 57 LYS QE 1 62 HIS HE1 . . 3.840 2.815 1.958 3.482 . 0 0 "[ . 1]" 1
1437 1 57 LYS QG 1 58 ASP H . . 3.410 2.955 2.566 3.201 . 0 0 "[ . 1]" 1
1438 1 57 LYS QG 1 59 GLY H . . 5.030 2.993 2.518 3.494 . 0 0 "[ . 1]" 1
1439 1 57 LYS QG 1 62 HIS HA . . 5.500 4.352 4.056 4.843 . 0 0 "[ . 1]" 1
1440 1 57 LYS QG 1 62 HIS HE1 . . 4.240 3.043 2.366 4.270 0.030 7 0 "[ . 1]" 1
1441 1 58 ASP H 1 58 ASP HB2 . . 3.720 2.947 2.493 3.803 0.083 10 0 "[ . 1]" 1
1442 1 58 ASP H 1 58 ASP QB . . 2.850 2.644 2.451 3.278 0.428 10 0 "[ . 1]" 1
1443 1 58 ASP H 1 58 ASP HB3 . . 3.720 3.337 2.791 3.797 0.077 1 0 "[ . 1]" 1
1444 1 58 ASP H 1 59 GLY QA . . 5.270 4.650 4.477 4.789 . 0 0 "[ . 1]" 1
1445 1 58 ASP H 1 61 ARG H . . 3.310 3.951 3.566 4.429 1.119 6 7 "[***-.+* *]" 1
1446 1 58 ASP H 1 61 ARG QD . . 5.440 5.349 4.718 6.033 0.593 7 1 "[ . + 1]" 1
1447 1 58 ASP H 1 61 ARG QG . . 3.540 3.304 2.663 3.967 0.427 7 0 "[ . 1]" 1
1448 1 58 ASP H 1 62 HIS HA . . 3.450 3.154 2.926 3.568 0.118 10 0 "[ . 1]" 1
1449 1 58 ASP H 1 62 HIS HE1 . . 5.500 5.833 5.260 6.373 0.873 4 3 "[ - +. *]" 1
1450 1 58 ASP H 1 63 HIS HD2 . . 4.400 3.937 3.183 4.970 0.570 8 1 "[ . + 1]" 1
1451 1 58 ASP HA 1 59 GLY H . . 2.400 2.265 2.119 2.368 . 0 0 "[ . 1]" 1
1452 1 58 ASP HA 1 59 GLY QA . . 4.320 3.892 3.852 3.922 . 0 0 "[ . 1]" 1
1453 1 58 ASP QB 1 60 GLN H . . 5.340 4.970 4.284 5.743 0.403 10 0 "[ . 1]" 1
1454 1 58 ASP QB 1 61 ARG H . . 4.080 3.998 3.568 5.268 1.188 10 1 "[ . +]" 1
1455 1 58 ASP QB 1 61 ARG QB . . 4.170 4.201 3.788 5.694 1.524 10 1 "[ . +]" 1
1456 1 58 ASP QB 1 61 ARG QD . . 4.450 3.670 2.913 5.089 0.639 10 1 "[ . +]" 1
1457 1 58 ASP QB 1 61 ARG HE . . 5.050 2.781 1.775 4.137 . 0 0 "[ . 1]" 1
1458 1 58 ASP QB 1 61 ARG QG . . 4.560 2.260 1.785 3.851 . 0 0 "[ . 1]" 1
1459 1 58 ASP QB 1 63 HIS HD2 . . 4.990 3.487 2.281 4.575 . 0 0 "[ . 1]" 1
1460 1 58 ASP HB2 1 59 GLY H . . 4.780 4.478 3.800 4.629 . 0 0 "[ . 1]" 1
1461 1 58 ASP HB3 1 59 GLY H . . 4.780 4.250 4.008 4.523 . 0 0 "[ . 1]" 1
1462 1 59 GLY H 1 60 GLN H . . 4.320 4.369 4.148 4.541 0.221 7 0 "[ . 1]" 1
1463 1 59 GLY H 1 61 ARG H . . 5.000 4.707 4.537 4.840 . 0 0 "[ . 1]" 1
1464 1 59 GLY QA 1 60 GLN H . . 2.900 2.145 2.106 2.232 . 0 0 "[ . 1]" 1
1465 1 59 GLY QA 1 60 GLN QG . . 4.670 3.418 3.299 3.641 . 0 0 "[ . 1]" 1
1466 1 59 GLY QA 1 61 ARG H . . 3.890 3.517 3.230 3.789 . 0 0 "[ . 1]" 1
1467 1 60 GLN H 1 60 GLN QG . . 3.430 2.478 2.253 2.742 . 0 0 "[ . 1]" 1
1468 1 60 GLN H 1 61 ARG H . . 2.980 2.235 2.061 2.506 . 0 0 "[ . 1]" 1
1469 1 60 GLN H 1 61 ARG QD . . 4.860 5.183 4.792 5.502 0.642 2 3 "[-+* . 1]" 1
1470 1 60 GLN H 1 61 ARG HG2 . . 4.950 3.540 3.120 3.997 . 0 0 "[ . 1]" 1
1471 1 60 GLN H 1 61 ARG QG . . 4.110 3.469 3.068 3.889 . 0 0 "[ . 1]" 1
1472 1 60 GLN H 1 61 ARG HG3 . . 4.950 4.992 4.535 5.338 0.388 2 0 "[ . 1]" 1
1473 1 60 GLN H 1 62 HIS HD2 . . 5.500 6.504 6.410 6.553 1.053 5 10 [*-**+*****] 1
1474 1 61 ARG H 1 61 ARG QB . . 3.540 2.826 2.549 3.018 . 0 0 "[ . 1]" 1
1475 1 61 ARG H 1 61 ARG QD . . 4.430 3.975 3.555 4.142 . 0 0 "[ . 1]" 1
1476 1 61 ARG H 1 61 ARG HG2 . . 3.510 2.097 1.801 2.460 . 0 0 "[ . 1]" 1
1477 1 61 ARG H 1 61 ARG QG . . 2.890 2.065 1.792 2.408 . 0 0 "[ . 1]" 1
1478 1 61 ARG H 1 61 ARG HG3 . . 3.510 3.127 2.763 3.423 . 0 0 "[ . 1]" 1
1479 1 61 ARG H 1 62 HIS H . . 4.260 4.515 4.445 4.572 0.312 1 0 "[ . 1]" 1
1480 1 61 ARG H 1 62 HIS HD2 . . 4.670 4.985 4.572 5.197 0.527 8 1 "[ . + 1]" 1
1481 1 61 ARG HA 1 61 ARG QD . . 4.430 4.260 4.195 4.483 0.053 3 0 "[ . 1]" 1
1482 1 61 ARG HA 1 61 ARG HG2 . . 4.110 3.727 3.625 3.869 . 0 0 "[ . 1]" 1
1483 1 61 ARG HA 1 61 ARG QG . . 3.560 3.343 3.320 3.372 . 0 0 "[ . 1]" 1
1484 1 61 ARG HA 1 61 ARG HG3 . . 4.110 3.788 3.614 3.870 . 0 0 "[ . 1]" 1
1485 1 61 ARG HA 1 62 HIS H . . 2.540 2.218 2.121 2.299 . 0 0 "[ . 1]" 1
1486 1 61 ARG QB 1 61 ARG QD . . 3.270 2.126 2.080 2.311 . 0 0 "[ . 1]" 1
1487 1 61 ARG QB 1 61 ARG HE . . 4.530 3.818 2.556 4.017 . 0 0 "[ . 1]" 1
1488 1 61 ARG QB 1 62 HIS H . . 3.520 2.759 2.521 3.036 . 0 0 "[ . 1]" 1
1489 1 61 ARG QD 1 62 HIS H . . 5.500 4.811 4.397 5.143 . 0 0 "[ . 1]" 1
1490 1 61 ARG QD 1 63 HIS HD2 . . 5.200 4.579 2.505 5.833 0.633 9 1 "[ . +1]" 1
1491 1 62 HIS H 1 62 HIS QB . . 3.130 2.592 2.458 2.678 . 0 0 "[ . 1]" 1
1492 1 62 HIS H 1 62 HIS HD2 . . 3.490 3.098 2.936 3.367 . 0 0 "[ . 1]" 1
1493 1 62 HIS H 1 63 HIS H . . 4.700 4.359 4.198 4.477 . 0 0 "[ . 1]" 1
1494 1 62 HIS H 1 63 HIS HA . . 5.230 4.751 4.558 4.928 . 0 0 "[ . 1]" 1
1495 1 62 HIS H 1 63 HIS HD2 . . 4.900 5.034 3.784 6.035 1.135 7 3 "[ * + -1]" 1
1496 1 62 HIS H 1 79 LEU QD . . 4.730 4.959 4.646 5.336 0.606 10 2 "[ . - +]" 1
1497 1 62 HIS HA 1 62 HIS HD2 . . 4.870 4.073 3.872 4.187 . 0 0 "[ . 1]" 1
1498 1 62 HIS HA 1 63 HIS H . . 2.570 2.217 2.152 2.306 . 0 0 "[ . 1]" 1
1499 1 62 HIS HA 1 63 HIS QB . . 4.780 4.476 4.273 4.554 . 0 0 "[ . 1]" 1
1500 1 62 HIS HA 1 63 HIS HD2 . . 3.880 3.566 3.114 4.177 0.297 7 0 "[ . 1]" 1
1501 1 62 HIS QB 1 63 HIS H . . 3.560 3.008 2.559 3.318 . 0 0 "[ . 1]" 1
1502 1 62 HIS QB 1 79 LEU QD . . 3.740 3.568 3.287 3.814 0.074 8 0 "[ . 1]" 1
1503 1 62 HIS HD2 1 63 HIS H . . 5.500 6.022 5.844 6.146 0.646 6 6 "[*-* .+ * *]" 1
1504 1 63 HIS H 1 63 HIS QB . . 3.270 2.618 2.525 2.753 . 0 0 "[ . 1]" 1
1505 1 63 HIS H 1 63 HIS HD2 . . 3.260 2.903 2.344 3.502 0.242 1 0 "[ . 1]" 1
1506 1 63 HIS H 1 64 LEU H . . 4.490 4.309 4.184 4.417 . 0 0 "[ . 1]" 1
1507 1 63 HIS H 1 64 LEU HA . . 5.040 4.944 4.706 5.088 0.048 10 0 "[ . 1]" 1
1508 1 63 HIS H 1 64 LEU QB . . 5.360 5.285 5.136 5.388 0.028 4 0 "[ . 1]" 1
1509 1 63 HIS HA 1 64 LEU H . . 2.530 2.138 2.080 2.163 . 0 0 "[ . 1]" 1
1510 1 63 HIS HA 1 64 LEU QB . . 5.060 4.136 4.099 4.190 . 0 0 "[ . 1]" 1
1511 1 63 HIS HA 1 65 ILE MD . . 5.500 5.638 3.695 6.604 1.104 9 7 "[-** .***+1]" 1
1512 1 63 HIS QB 1 64 LEU H . . 3.300 3.280 3.088 3.420 0.120 8 0 "[ . 1]" 1
1513 1 63 HIS QB 1 65 ILE MD . . 4.620 3.984 2.044 4.934 0.314 9 0 "[ . 1]" 1
1514 1 64 LEU H 1 64 LEU QB . . 3.180 2.367 2.337 2.415 . 0 0 "[ . 1]" 1
1515 1 64 LEU H 1 64 LEU QD . . 4.550 3.867 3.841 3.897 . 0 0 "[ . 1]" 1
1516 1 64 LEU H 1 64 LEU HG . . 4.970 4.387 4.306 4.425 . 0 0 "[ . 1]" 1
1517 1 64 LEU H 1 65 ILE H . . 4.470 4.173 4.093 4.365 . 0 0 "[ . 1]" 1
1518 1 64 LEU H 1 65 ILE HA . . 5.000 4.881 4.764 5.013 0.013 7 0 "[ . 1]" 1
1519 1 64 LEU H 1 65 ILE HB . . 5.500 5.523 5.237 5.941 0.441 4 0 "[ . 1]" 1
1520 1 64 LEU H 1 65 ILE MD . . 4.890 5.073 3.196 6.011 1.121 8 7 "[*** .*-+*1]" 1
1521 1 64 LEU HA 1 64 LEU QD . . 3.050 2.098 2.043 2.163 . 0 0 "[ . 1]" 1
1522 1 64 LEU HA 1 64 LEU HG . . 4.000 3.164 3.051 3.231 . 0 0 "[ . 1]" 1
1523 1 64 LEU HA 1 65 ILE H . . 2.770 2.156 2.131 2.176 . 0 0 "[ . 1]" 1
1524 1 64 LEU HA 1 65 ILE HA . . 4.650 4.383 4.366 4.401 . 0 0 "[ . 1]" 1
1525 1 64 LEU HA 1 65 ILE HB . . 4.550 4.641 4.447 4.843 0.293 2 0 "[ . 1]" 1
1526 1 64 LEU HA 1 65 ILE MD . . 4.970 5.069 3.462 5.805 0.835 2 7 "[*+* .*-**1]" 1
1527 1 64 LEU QD 1 65 ILE H . . 3.050 2.780 2.467 2.953 . 0 0 "[ . 1]" 1
1528 1 64 LEU QD 1 65 ILE HB . . 5.440 5.022 4.625 5.354 . 0 0 "[ . 1]" 1
1529 1 64 LEU QD 1 66 ILE HB . . 5.440 5.030 4.696 5.350 . 0 0 "[ . 1]" 1
1530 1 64 LEU QD 1 66 ILE MD . . 3.050 2.919 2.397 3.264 0.214 3 0 "[ . 1]" 1
1531 1 64 LEU QD 1 66 ILE QG . . 3.770 2.876 2.555 3.144 . 0 0 "[ . 1]" 1
1532 1 64 LEU QD 1 77 TYR QB . . 4.960 3.957 3.411 4.283 . 0 0 "[ . 1]" 1
1533 1 64 LEU HG 1 65 ILE H . . 4.880 3.672 3.266 3.822 . 0 0 "[ . 1]" 1
1534 1 65 ILE H 1 65 ILE HB . . 2.900 2.758 2.343 3.040 0.140 2 0 "[ . 1]" 1
1535 1 65 ILE H 1 65 ILE MD . . 4.090 3.800 2.516 4.338 0.248 2 0 "[ . 1]" 1
1536 1 65 ILE H 1 65 ILE MG . . 2.920 2.502 1.919 3.681 0.761 4 3 "[ +* -]" 1
1537 1 65 ILE HA 1 65 ILE MD . . 4.150 2.209 1.949 2.756 . 0 0 "[ . 1]" 1
1538 1 65 ILE HA 1 65 ILE MG . . 3.380 3.050 2.606 3.224 . 0 0 "[ . 1]" 1
1539 1 65 ILE HA 1 66 ILE H . . 2.560 2.118 2.089 2.149 . 0 0 "[ . 1]" 1
1540 1 65 ILE HB 1 65 ILE MD . . 2.940 2.373 2.327 2.408 . 0 0 "[ . 1]" 1
1541 1 65 ILE MD 1 66 ILE H . . 4.400 3.150 2.386 4.600 0.200 4 0 "[ . 1]" 1
1542 1 65 ILE QG 1 65 ILE MG . . 3.110 2.095 2.080 2.106 . 0 0 "[ . 1]" 1
1543 1 65 ILE QG 1 66 ILE H . . 4.230 3.324 2.817 3.825 . 0 0 "[ . 1]" 1
1544 1 65 ILE QG 1 66 ILE HA . . 4.980 4.497 3.884 5.701 0.721 10 3 "[ *- +]" 1
1545 1 65 ILE MG 1 66 ILE H . . 3.330 3.725 2.748 4.223 0.893 8 6 "[**- .* +*1]" 1
1546 1 65 ILE MG 1 67 ASN H . . 3.530 3.984 3.266 4.522 0.992 8 6 "[*** .- +*1]" 1
1547 1 65 ILE MG 1 67 ASN HA . . 4.250 4.390 3.343 5.135 0.885 2 5 "[-+ .* **1]" 1
1548 1 65 ILE MG 1 67 ASN QB . . 4.920 4.777 4.125 5.269 0.349 8 0 "[ . 1]" 1
1549 1 65 ILE MG 1 67 ASN QD . . 4.090 3.315 2.673 4.414 0.324 3 0 "[ . 1]" 1
1550 1 66 ILE H 1 66 ILE HB . . 2.970 2.586 2.531 2.633 . 0 0 "[ . 1]" 1
1551 1 66 ILE H 1 66 ILE MD . . 4.300 3.823 3.680 3.988 . 0 0 "[ . 1]" 1
1552 1 66 ILE H 1 66 ILE QG . . 3.410 2.426 2.218 2.625 . 0 0 "[ . 1]" 1
1553 1 66 ILE H 1 67 ASN H . . 4.120 4.308 4.239 4.383 0.263 8 0 "[ . 1]" 1
1554 1 66 ILE HA 1 66 ILE MD . . 3.900 3.846 3.816 3.873 . 0 0 "[ . 1]" 1
1555 1 66 ILE HA 1 66 ILE QG . . 3.830 2.451 2.408 2.500 . 0 0 "[ . 1]" 1
1556 1 66 ILE HA 1 66 ILE MG . . 3.090 2.363 2.302 2.404 . 0 0 "[ . 1]" 1
1557 1 66 ILE HA 1 67 ASN H . . 2.400 2.139 2.114 2.155 . 0 0 "[ . 1]" 1
1558 1 66 ILE HA 1 67 ASN QB . . 4.550 4.386 4.297 4.483 . 0 0 "[ . 1]" 1
1559 1 66 ILE HA 1 67 ASN QD . . 4.770 4.083 3.559 5.160 0.390 4 0 "[ . 1]" 1
1560 1 66 ILE HA 1 68 GLU H . . 3.750 4.016 3.903 4.237 0.487 3 0 "[ . 1]" 1
1561 1 66 ILE HA 1 69 ALA MB . . 5.500 5.471 5.303 5.698 0.198 4 0 "[ . 1]" 1
1562 1 66 ILE HB 1 66 ILE MD . . 3.160 2.438 2.418 2.483 . 0 0 "[ . 1]" 1
1563 1 66 ILE HB 1 67 ASN H . . 5.160 4.285 4.249 4.338 . 0 0 "[ . 1]" 1
1564 1 66 ILE HB 1 68 GLU H . . 4.830 4.891 4.623 5.107 0.277 7 0 "[ . 1]" 1
1565 1 66 ILE MD 1 68 GLU H . . 5.190 5.606 5.410 5.698 0.508 5 1 "[ + 1]" 1
1566 1 66 ILE MD 1 69 ALA HA . . 4.450 3.916 3.663 4.166 . 0 0 "[ . 1]" 1
1567 1 66 ILE MD 1 69 ALA MB . . 3.880 3.366 3.079 3.846 . 0 0 "[ . 1]" 1
1568 1 66 ILE MD 1 73 ASP HA . . 4.910 5.970 5.555 6.102 1.192 4 10 [**-+******] 1
1569 1 66 ILE MD 1 73 ASP QB . . 3.630 4.375 3.727 4.847 1.217 7 6 "[ *.-+***]" 1
1570 1 66 ILE QG 1 66 ILE MG . . 3.200 2.334 2.318 2.367 . 0 0 "[ . 1]" 1
1571 1 66 ILE QG 1 67 ASN H . . 4.810 4.286 4.222 4.346 . 0 0 "[ . 1]" 1
1572 1 66 ILE QG 1 68 GLU H . . 5.020 5.375 5.231 5.552 0.532 3 1 "[ + . 1]" 1
1573 1 66 ILE MG 1 67 ASN H . . 3.770 2.969 2.924 3.014 . 0 0 "[ . 1]" 1
1574 1 66 ILE MG 1 67 ASN HA . . 4.820 4.275 4.181 4.394 . 0 0 "[ . 1]" 1
1575 1 66 ILE MG 1 67 ASN QB . . 4.160 4.177 3.984 4.295 0.135 2 0 "[ . 1]" 1
1576 1 66 ILE MG 1 67 ASN QD . . 5.220 4.758 4.297 5.560 0.340 4 0 "[ . 1]" 1
1577 1 66 ILE MG 1 68 GLU H . . 2.770 2.662 2.399 2.804 0.034 7 0 "[ . 1]" 1
1578 1 66 ILE MG 1 68 GLU HA . . 4.300 3.820 3.570 3.949 . 0 0 "[ . 1]" 1
1579 1 66 ILE MG 1 68 GLU QG . . 4.270 4.780 4.503 4.910 0.640 3 8 "[ *+ -*****]" 1
1580 1 66 ILE MG 1 69 ALA H . . 3.250 3.343 3.150 3.611 0.361 4 0 "[ . 1]" 1
1581 1 66 ILE MG 1 69 ALA HA . . 2.900 2.465 2.325 2.686 . 0 0 "[ . 1]" 1
1582 1 66 ILE MG 1 69 ALA MB . . 2.860 2.559 2.349 2.935 0.075 4 0 "[ . 1]" 1
1583 1 66 ILE MG 1 70 MET H . . 4.140 4.009 3.777 4.284 0.144 7 0 "[ . 1]" 1
1584 1 66 ILE MG 1 70 MET QG . . 5.240 5.030 4.637 5.927 0.687 7 1 "[ . + 1]" 1
1585 1 66 ILE MG 1 73 ASP QB . . 3.670 4.141 3.699 4.456 0.786 6 6 "[ *.+**-*]" 1
1586 1 67 ASN H 1 67 ASN HA . . 2.910 2.846 2.795 2.869 . 0 0 "[ . 1]" 1
1587 1 67 ASN H 1 67 ASN QB . . 2.720 2.412 2.306 2.513 . 0 0 "[ . 1]" 1
1588 1 67 ASN H 1 67 ASN QD . . 3.360 2.591 2.135 3.560 0.200 4 0 "[ . 1]" 1
1589 1 67 ASN H 1 68 GLU HA . . 5.370 5.149 5.072 5.248 . 0 0 "[ . 1]" 1
1590 1 67 ASN H 1 68 GLU QG . . 4.450 4.716 4.303 5.117 0.667 3 1 "[ + . 1]" 1
1591 1 67 ASN HA 1 67 ASN QD . . 4.100 3.753 3.502 4.098 . 0 0 "[ . 1]" 1
1592 1 67 ASN HA 1 68 GLU HA . . 5.030 4.537 4.514 4.561 . 0 0 "[ . 1]" 1
1593 1 67 ASN QB 1 67 ASN QD . . 2.790 2.160 2.117 2.207 . 0 0 "[ . 1]" 1
1594 1 67 ASN QB 1 68 GLU H . . 2.960 2.455 2.326 2.547 . 0 0 "[ . 1]" 1
1595 1 67 ASN QB 1 68 GLU QB . . 4.240 3.781 3.652 4.005 . 0 0 "[ . 1]" 1
1596 1 67 ASN QB 1 68 GLU QG . . 3.820 2.614 2.495 2.727 . 0 0 "[ . 1]" 1
1597 1 67 ASN QD 1 68 GLU H . . 4.150 4.038 3.632 4.582 0.432 4 0 "[ . 1]" 1
1598 1 67 ASN QD 1 68 GLU QG . . 4.570 4.774 4.173 5.146 0.576 1 1 "[+ . 1]" 1
1599 1 68 GLU H 1 68 GLU QB . . 3.020 2.659 2.556 2.748 . 0 0 "[ . 1]" 1
1600 1 68 GLU H 1 68 GLU QG . . 3.170 2.907 2.533 3.135 . 0 0 "[ . 1]" 1
1601 1 68 GLU H 1 69 ALA H . . 4.010 4.034 3.965 4.111 0.101 4 0 "[ . 1]" 1
1602 1 68 GLU HA 1 68 GLU QG . . 3.350 2.479 2.423 2.586 . 0 0 "[ . 1]" 1
1603 1 68 GLU HA 1 69 ALA H . . 2.400 2.147 2.132 2.164 . 0 0 "[ . 1]" 1
1604 1 68 GLU HA 1 69 ALA HA . . 4.570 4.403 4.391 4.413 . 0 0 "[ . 1]" 1
1605 1 68 GLU HA 1 69 ALA MB . . 4.090 4.034 4.002 4.059 . 0 0 "[ . 1]" 1
1606 1 68 GLU HA 1 70 MET ME . . 4.620 4.606 3.840 5.750 1.130 7 2 "[ . +- 1]" 1
1607 1 68 GLU HA 1 70 MET QG . . 5.440 5.475 4.883 5.790 0.350 6 0 "[ . 1]" 1
1608 1 68 GLU QB 1 69 ALA H . . 3.660 3.500 3.468 3.521 . 0 0 "[ . 1]" 1
1609 1 68 GLU QB 1 69 ALA HA . . 4.350 4.429 4.352 4.558 0.208 3 0 "[ . 1]" 1
1610 1 68 GLU QB 1 69 ALA MB . . 4.920 4.754 4.717 4.775 . 0 0 "[ . 1]" 1
1611 1 68 GLU QG 1 69 ALA H . . 4.590 4.325 4.234 4.453 . 0 0 "[ . 1]" 1
1612 1 69 ALA H 1 69 ALA MB . . 2.400 2.293 2.251 2.354 . 0 0 "[ . 1]" 1
1613 1 69 ALA H 1 70 MET H . . 3.950 4.477 4.323 4.544 0.594 1 7 "[+** .*-* *]" 1
1614 1 69 ALA H 1 70 MET HA . . 4.900 5.212 5.117 5.384 0.484 3 0 "[ . 1]" 1
1615 1 69 ALA H 1 70 MET QG . . 4.910 4.987 4.595 5.286 0.376 9 0 "[ . 1]" 1
1616 1 69 ALA H 1 73 ASP QB . . 4.910 5.909 5.494 6.051 1.141 10 10 [********-+] 1
1617 1 69 ALA H 1 92 VAL QG . . 5.110 4.271 4.090 4.779 . 0 0 "[ . 1]" 1
1618 1 69 ALA HA 1 70 MET H . . 2.460 2.159 2.132 2.188 . 0 0 "[ . 1]" 1
1619 1 69 ALA HA 1 70 MET QG . . 4.660 3.904 3.652 4.397 . 0 0 "[ . 1]" 1
1620 1 69 ALA HA 1 73 ASP H . . 5.360 5.825 5.560 6.000 0.640 6 5 "[*- *.+ * 1]" 1
1621 1 69 ALA HA 1 73 ASP QB . . 3.810 3.459 3.023 3.685 . 0 0 "[ . 1]" 1
1622 1 69 ALA HA 1 92 VAL QG . . 5.110 3.618 3.185 3.944 . 0 0 "[ . 1]" 1
1623 1 69 ALA MB 1 70 MET H . . 3.780 3.053 2.893 3.316 . 0 0 "[ . 1]" 1
1624 1 69 ALA MB 1 73 ASP H . . 4.780 5.544 5.116 6.031 1.251 4 9 "[***+***- *]" 1
1625 1 69 ALA MB 1 73 ASP QB . . 4.050 3.948 3.295 4.589 0.539 4 1 "[ +. 1]" 1
1626 1 69 ALA MB 1 74 ALA H . . 4.220 4.989 4.649 5.350 1.130 4 8 "[* *+***- *]" 1
1627 1 69 ALA MB 1 74 ALA MB . . 4.140 3.899 3.506 4.182 0.042 6 0 "[ . 1]" 1
1628 1 69 ALA MB 1 92 VAL HA . . 5.060 4.540 4.220 5.073 0.013 7 0 "[ . 1]" 1
1629 1 69 ALA MB 1 92 VAL HB . . 4.680 4.124 3.877 4.521 . 0 0 "[ . 1]" 1
1630 1 69 ALA MB 1 92 VAL QG . . 2.800 1.924 1.767 2.284 . 0 0 "[ . 1]" 1
1631 1 70 MET H 1 70 MET QB . . 3.050 2.472 2.407 2.584 . 0 0 "[ . 1]" 1
1632 1 70 MET H 1 70 MET ME . . 4.430 4.419 3.176 5.337 0.907 7 1 "[ . + 1]" 1
1633 1 70 MET H 1 70 MET QG . . 3.260 2.839 2.503 3.465 0.205 7 0 "[ . 1]" 1
1634 1 70 MET H 1 71 LEU H . . 4.610 4.487 4.412 4.544 . 0 0 "[ . 1]" 1
1635 1 70 MET H 1 72 GLU H . . 5.350 5.496 5.396 5.632 0.282 4 0 "[ . 1]" 1
1636 1 70 MET H 1 73 ASP H . . 4.000 3.845 3.716 3.998 . 0 0 "[ . 1]" 1
1637 1 70 MET H 1 73 ASP HA . . 4.910 4.970 4.628 5.196 0.286 4 0 "[ . 1]" 1
1638 1 70 MET H 1 73 ASP QB . . 3.170 2.011 1.845 2.193 . 0 0 "[ . 1]" 1
1639 1 70 MET H 1 74 ALA H . . 5.090 4.498 3.958 4.865 . 0 0 "[ . 1]" 1
1640 1 70 MET H 1 92 VAL QG . . 4.320 3.329 3.084 3.736 . 0 0 "[ . 1]" 1
1641 1 70 MET HA 1 70 MET QG . . 3.530 2.872 2.639 2.962 . 0 0 "[ . 1]" 1
1642 1 70 MET HA 1 71 LEU H . . 2.720 2.518 2.460 2.600 . 0 0 "[ . 1]" 1
1643 1 70 MET HA 1 71 LEU HA . . 4.460 4.232 4.181 4.300 . 0 0 "[ . 1]" 1
1644 1 70 MET QB 1 71 LEU H . . 2.830 2.186 2.050 2.278 . 0 0 "[ . 1]" 1
1645 1 70 MET QB 1 72 GLU H . . 3.000 3.137 3.035 3.254 0.254 4 0 "[ . 1]" 1
1646 1 70 MET QB 1 72 GLU HA . . 5.490 5.342 5.178 5.474 . 0 0 "[ . 1]" 1
1647 1 70 MET QB 1 72 GLU QB . . 4.190 4.097 3.802 4.365 0.175 7 0 "[ . 1]" 1
1648 1 70 MET QB 1 73 ASP H . . 3.270 2.762 2.497 2.974 . 0 0 "[ . 1]" 1
1649 1 70 MET QB 1 92 VAL QG . . 4.480 4.082 3.944 4.291 . 0 0 "[ . 1]" 1
1650 1 70 MET ME 1 70 MET QG . . 3.450 2.266 2.223 2.374 . 0 0 "[ . 1]" 1
1651 1 70 MET ME 1 92 VAL QG . . 4.870 4.792 3.860 5.296 0.426 1 0 "[ . 1]" 1
1652 1 70 MET QG 1 71 LEU H . . 4.810 4.120 3.800 4.210 . 0 0 "[ . 1]" 1
1653 1 70 MET QG 1 72 GLU H . . 5.500 5.121 4.965 5.253 . 0 0 "[ . 1]" 1
1654 1 71 LEU H 1 71 LEU HA . . 2.860 2.812 2.790 2.842 . 0 0 "[ . 1]" 1
1655 1 71 LEU H 1 71 LEU QB . . 2.880 2.402 2.321 2.465 . 0 0 "[ . 1]" 1
1656 1 71 LEU H 1 71 LEU MD1 . . 3.750 3.218 2.960 3.422 . 0 0 "[ . 1]" 1
1657 1 71 LEU H 1 71 LEU MD2 . . 2.810 1.808 1.751 1.939 . 0 0 "[ . 1]" 1
1658 1 71 LEU H 1 71 LEU HG . . 3.960 3.896 3.868 3.950 . 0 0 "[ . 1]" 1
1659 1 71 LEU H 1 72 GLU QG . . 5.320 4.444 4.177 4.646 . 0 0 "[ . 1]" 1
1660 1 71 LEU H 1 73 ASP H . . 3.920 3.708 3.615 3.848 . 0 0 "[ . 1]" 1
1661 1 71 LEU H 1 73 ASP QB . . 4.860 4.417 4.251 4.650 . 0 0 "[ . 1]" 1
1662 1 71 LEU H 1 74 ALA H . . 5.440 5.226 5.025 5.412 . 0 0 "[ . 1]" 1
1663 1 71 LEU H 1 92 VAL HB . . 4.920 4.563 4.261 5.002 0.082 3 0 "[ . 1]" 1
1664 1 71 LEU H 1 92 VAL QG . . 3.530 3.640 3.430 3.906 0.376 6 0 "[ . 1]" 1
1665 1 71 LEU H 1 94 GLU QG . . 5.340 5.416 5.020 6.414 1.074 3 2 "[ + . -1]" 1
1666 1 71 LEU HA 1 71 LEU MD1 . . 2.620 1.938 1.849 2.018 . 0 0 "[ . 1]" 1
1667 1 71 LEU HA 1 71 LEU MD2 . . 3.580 3.032 2.860 3.233 . 0 0 "[ . 1]" 1
1668 1 71 LEU HA 1 71 LEU HG . . 4.170 3.714 3.687 3.722 . 0 0 "[ . 1]" 1
1669 1 71 LEU HA 1 72 GLU QG . . 5.290 4.849 4.727 4.983 . 0 0 "[ . 1]" 1
1670 1 71 LEU HA 1 73 ASP H . . 3.920 4.060 3.868 4.216 0.296 3 0 "[ . 1]" 1
1671 1 71 LEU HA 1 74 ALA H . . 4.070 4.206 4.100 4.360 0.290 9 0 "[ . 1]" 1
1672 1 71 LEU HA 1 92 VAL H . . 4.240 4.167 3.754 4.606 0.366 3 0 "[ . 1]" 1
1673 1 71 LEU HA 1 92 VAL HB . . 3.210 2.381 2.114 2.790 . 0 0 "[ . 1]" 1
1674 1 71 LEU HA 1 92 VAL QG . . 3.090 2.781 2.691 2.829 . 0 0 "[ . 1]" 1
1675 1 71 LEU HA 1 93 GLN H . . 5.210 5.516 5.202 5.928 0.718 2 2 "[ +- . 1]" 1
1676 1 71 LEU QB 1 71 LEU MD2 . . 3.140 2.235 2.177 2.275 . 0 0 "[ . 1]" 1
1677 1 71 LEU QB 1 72 GLU H . . 3.100 2.310 2.242 2.381 . 0 0 "[ . 1]" 1
1678 1 71 LEU QB 1 72 GLU HA . . 4.520 3.807 3.753 3.875 . 0 0 "[ . 1]" 1
1679 1 71 LEU QB 1 72 GLU QG . . 4.180 2.748 2.560 2.900 . 0 0 "[ . 1]" 1
1680 1 71 LEU QB 1 73 ASP H . . 4.700 4.192 4.143 4.297 . 0 0 "[ . 1]" 1
1681 1 71 LEU QB 1 92 VAL QG . . 4.240 4.143 4.029 4.290 0.050 6 0 "[ . 1]" 1
1682 1 71 LEU MD1 1 72 GLU H . . 4.700 4.538 4.455 4.567 . 0 0 "[ . 1]" 1
1683 1 71 LEU MD1 1 72 GLU HA . . 5.500 5.591 5.438 5.698 0.198 1 0 "[ . 1]" 1
1684 1 71 LEU MD1 1 92 VAL H . . 5.170 4.341 4.039 4.778 . 0 0 "[ . 1]" 1
1685 1 71 LEU MD1 1 92 VAL HA . . 4.980 4.423 4.208 4.744 . 0 0 "[ . 1]" 1
1686 1 71 LEU MD1 1 92 VAL HB . . 3.000 3.017 2.732 3.585 0.585 9 1 "[ . +1]" 1
1687 1 71 LEU MD1 1 92 VAL QG . . 2.770 2.107 1.908 2.459 . 0 0 "[ . 1]" 1
1688 1 71 LEU MD1 1 93 GLN H . . 4.310 3.970 3.596 4.324 0.014 2 0 "[ . 1]" 1
1689 1 71 LEU MD1 1 93 GLN HA . . 3.670 2.723 2.339 3.163 . 0 0 "[ . 1]" 1
1690 1 71 LEU MD1 1 94 GLU H . . 3.320 3.175 2.554 3.737 0.417 10 0 "[ . 1]" 1
1691 1 71 LEU MD1 1 94 GLU HA . . 4.280 3.912 3.275 4.397 0.117 2 0 "[ . 1]" 1
1692 1 71 LEU MD1 1 94 GLU HG2 . . 3.860 2.970 2.571 3.598 . 0 0 "[ . 1]" 1
1693 1 71 LEU MD1 1 94 GLU QG . . 3.180 2.037 1.767 2.776 . 0 0 "[ . 1]" 1
1694 1 71 LEU MD1 1 94 GLU HG3 . . 3.860 2.097 1.792 3.033 . 0 0 "[ . 1]" 1
1695 1 71 LEU MD2 1 72 GLU H . . 4.000 3.756 3.574 3.929 . 0 0 "[ . 1]" 1
1696 1 71 LEU MD2 1 72 GLU QG . . 4.820 4.405 4.127 4.575 . 0 0 "[ . 1]" 1
1697 1 71 LEU MD2 1 73 ASP H . . 5.180 4.961 4.859 5.043 . 0 0 "[ . 1]" 1
1698 1 71 LEU MD2 1 92 VAL HB . . 4.740 4.529 4.265 4.840 0.100 9 0 "[ . 1]" 1
1699 1 71 LEU MD2 1 92 VAL QG . . 5.200 3.215 2.997 3.409 . 0 0 "[ . 1]" 1
1700 1 71 LEU MD2 1 94 GLU H . . 4.690 4.927 4.357 5.553 0.863 10 3 "[ *- . +]" 1
1701 1 71 LEU MD2 1 94 GLU HB3 . . 4.880 4.881 4.486 5.625 0.745 9 2 "[ - . +1]" 1
1702 1 71 LEU MD2 1 94 GLU HG2 . . 4.410 2.863 2.289 3.708 . 0 0 "[ . 1]" 1
1703 1 71 LEU MD2 1 94 GLU QG . . 3.820 2.592 2.145 3.286 . 0 0 "[ . 1]" 1
1704 1 71 LEU MD2 1 94 GLU HG3 . . 4.410 3.053 2.521 4.164 . 0 0 "[ . 1]" 1
1705 1 71 LEU HG 1 92 VAL QG . . 4.260 4.698 4.534 5.031 0.771 9 2 "[ .- +1]" 1
1706 1 72 GLU H 1 72 GLU HA . . 2.910 2.885 2.854 2.895 . 0 0 "[ . 1]" 1
1707 1 72 GLU H 1 72 GLU QB . . 2.850 2.456 2.396 2.515 . 0 0 "[ . 1]" 1
1708 1 72 GLU H 1 72 GLU QG . . 2.800 2.255 2.070 2.417 . 0 0 "[ . 1]" 1
1709 1 72 GLU H 1 73 ASP H . . 2.800 2.448 2.387 2.493 . 0 0 "[ . 1]" 1
1710 1 72 GLU H 1 73 ASP QB . . 4.530 4.159 4.037 4.464 . 0 0 "[ . 1]" 1
1711 1 72 GLU H 1 74 ALA H . . 4.500 4.266 4.112 4.359 . 0 0 "[ . 1]" 1
1712 1 72 GLU H 1 74 ALA MB . . 5.500 5.200 5.047 5.304 . 0 0 "[ . 1]" 1
1713 1 72 GLU H 1 92 VAL QG . . 4.820 4.974 4.863 5.092 0.272 3 0 "[ . 1]" 1
1714 1 72 GLU HA 1 72 GLU QB . . 2.600 2.349 2.332 2.378 . 0 0 "[ . 1]" 1
1715 1 72 GLU HA 1 72 GLU QG . . 3.580 2.472 2.378 2.536 . 0 0 "[ . 1]" 1
1716 1 72 GLU HA 1 73 ASP H . . 3.270 3.341 3.281 3.443 0.173 3 0 "[ . 1]" 1
1717 1 72 GLU HA 1 74 ALA H . . 4.230 3.734 3.515 4.038 . 0 0 "[ . 1]" 1
1718 1 72 GLU HA 1 92 VAL QG . . 5.500 5.665 5.528 5.831 0.331 3 0 "[ . 1]" 1
1719 1 72 GLU QB 1 73 ASP H . . 3.540 3.192 2.864 3.344 . 0 0 "[ . 1]" 1
1720 1 72 GLU QG 1 73 ASP H . . 4.330 4.195 4.009 4.331 0.001 8 0 "[ . 1]" 1
1721 1 73 ASP H 1 73 ASP QB . . 2.700 2.283 2.196 2.336 . 0 0 "[ . 1]" 1
1722 1 73 ASP H 1 74 ALA H . . 2.490 2.419 2.320 2.580 0.090 2 0 "[ . 1]" 1
1723 1 73 ASP H 1 74 ALA HA . . 5.500 4.928 4.806 5.154 . 0 0 "[ . 1]" 1
1724 1 73 ASP H 1 74 ALA MB . . 3.900 4.062 3.962 4.240 0.340 2 0 "[ . 1]" 1
1725 1 73 ASP H 1 92 VAL QG . . 3.690 4.312 4.136 4.629 0.939 3 8 "[-*+**** *]" 1
1726 1 73 ASP HA 1 74 ALA H . . 3.540 3.397 3.320 3.504 . 0 0 "[ . 1]" 1
1727 1 73 ASP HA 1 92 VAL QG . . 5.260 5.629 5.442 5.825 0.565 3 2 "[ + . - 1]" 1
1728 1 73 ASP QB 1 74 ALA H . . 3.200 3.129 2.893 3.352 0.152 3 0 "[ . 1]" 1
1729 1 73 ASP QB 1 74 ALA MB . . 4.660 4.170 3.966 4.329 . 0 0 "[ . 1]" 1
1730 1 73 ASP QB 1 90 LEU QD . . 4.630 4.494 4.200 4.813 0.183 4 0 "[ . 1]" 1
1731 1 73 ASP QB 1 92 VAL QG . . 3.610 3.799 3.475 4.213 0.603 3 1 "[ + . 1]" 1
1732 1 74 ALA H 1 74 ALA HA . . 2.850 2.827 2.805 2.863 0.013 3 0 "[ . 1]" 1
1733 1 74 ALA H 1 74 ALA MB . . 2.400 2.222 2.208 2.247 . 0 0 "[ . 1]" 1
1734 1 74 ALA H 1 75 GLY H . . 3.570 2.646 2.505 2.721 . 0 0 "[ . 1]" 1
1735 1 74 ALA H 1 90 LEU QB . . 4.660 5.154 4.936 5.364 0.704 5 4 "[ + *-*]" 1
1736 1 74 ALA H 1 92 VAL H . . 4.450 4.796 4.484 5.411 0.961 3 3 "[ -+ . * 1]" 1
1737 1 74 ALA H 1 92 VAL HB . . 3.550 3.987 3.622 4.273 0.723 3 3 "[* + . - 1]" 1
1738 1 74 ALA H 1 92 VAL QG . . 2.840 3.491 3.381 3.743 0.903 3 10 [**+-******] 1
1739 1 74 ALA HA 1 90 LEU H . . 5.500 5.333 4.616 5.879 0.379 5 0 "[ . 1]" 1
1740 1 74 ALA HA 1 90 LEU QB . . 3.840 2.934 2.420 3.163 . 0 0 "[ . 1]" 1
1741 1 74 ALA HA 1 90 LEU MD1 . . 4.390 4.429 4.021 4.901 0.511 4 1 "[ +. 1]" 1
1742 1 74 ALA HA 1 90 LEU QD . . 3.550 1.885 1.781 2.171 . 0 0 "[ . 1]" 1
1743 1 74 ALA HA 1 90 LEU MD2 . . 4.390 1.887 1.783 2.173 . 0 0 "[ . 1]" 1
1744 1 74 ALA HA 1 91 ILE H . . 5.020 5.991 5.337 6.547 1.527 2 8 "[*+*** *- *]" 1
1745 1 74 ALA HA 1 92 VAL H . . 4.900 5.039 4.462 5.441 0.541 7 1 "[ . + 1]" 1
1746 1 74 ALA HA 1 92 VAL QG . . 3.340 3.116 2.781 3.430 0.090 4 0 "[ . 1]" 1
1747 1 74 ALA MB 1 75 GLY H . . 2.700 2.414 2.363 2.463 . 0 0 "[ . 1]" 1
1748 1 74 ALA MB 1 75 GLY QA . . 4.030 3.782 3.746 3.811 . 0 0 "[ . 1]" 1
1749 1 74 ALA MB 1 90 LEU H . . 4.620 4.011 3.684 4.332 . 0 0 "[ . 1]" 1
1750 1 74 ALA MB 1 90 LEU QB . . 4.000 2.435 1.995 2.770 . 0 0 "[ . 1]" 1
1751 1 74 ALA MB 1 91 ILE H . . 4.480 3.797 3.466 4.102 . 0 0 "[ . 1]" 1
1752 1 74 ALA MB 1 91 ILE HA . . 3.140 2.811 2.381 3.276 0.136 2 0 "[ . 1]" 1
1753 1 74 ALA MB 1 91 ILE MD . . 4.850 4.871 4.199 5.685 0.835 7 2 "[- . + 1]" 1
1754 1 74 ALA MB 1 91 ILE MG . . 4.430 4.160 3.790 4.535 0.105 2 0 "[ . 1]" 1
1755 1 74 ALA MB 1 92 VAL H . . 2.790 2.438 2.067 2.722 . 0 0 "[ . 1]" 1
1756 1 74 ALA MB 1 92 VAL HB . . 2.990 2.536 2.228 2.802 . 0 0 "[ . 1]" 1
1757 1 74 ALA MB 1 92 VAL QG . . 2.870 1.781 1.737 1.844 . 0 0 "[ . 1]" 1
1758 1 74 ALA MB 1 93 GLN H . . 5.420 5.566 5.351 5.783 0.363 1 0 "[ . 1]" 1
1759 1 74 ALA MB 1 93 GLN QG . . 5.310 5.682 5.160 6.030 0.720 1 5 "[+* -. ** 1]" 1
1760 1 75 GLY H 1 76 HIS H . . 4.630 4.618 4.595 4.634 0.004 5 0 "[ . 1]" 1
1761 1 75 GLY H 1 90 LEU QB . . 4.320 4.659 4.498 4.758 0.438 5 0 "[ . 1]" 1
1762 1 75 GLY H 1 91 ILE HA . . 4.680 5.573 4.964 6.013 1.333 3 9 "[**+*-** **]" 1
1763 1 75 GLY H 1 92 VAL H . . 4.700 5.465 5.265 5.799 1.099 3 10 [**+*-*****] 1
1764 1 75 GLY H 1 92 VAL QG . . 4.650 4.910 4.816 4.949 0.299 1 0 "[ . 1]" 1
1765 1 75 GLY QA 1 76 HIS H . . 2.690 2.205 2.177 2.234 . 0 0 "[ . 1]" 1
1766 1 75 GLY QA 1 76 HIS HA . . 5.010 3.940 3.926 3.956 . 0 0 "[ . 1]" 1
1767 1 75 GLY QA 1 90 LEU H . . 5.260 5.189 4.900 5.776 0.516 5 1 "[ + 1]" 1
1768 1 75 GLY QA 1 90 LEU QD . . 5.440 5.076 4.738 5.361 . 0 0 "[ . 1]" 1
1769 1 76 HIS H 1 76 HIS QB . . 2.760 2.527 2.437 2.601 . 0 0 "[ . 1]" 1
1770 1 76 HIS H 1 77 TYR H . . 4.370 4.211 4.143 4.304 . 0 0 "[ . 1]" 1
1771 1 76 HIS HA 1 77 TYR H . . 2.500 2.169 2.135 2.191 . 0 0 "[ . 1]" 1
1772 1 76 HIS HA 1 87 LEU QD . . 4.600 3.896 3.547 4.440 . 0 0 "[ . 1]" 1
1773 1 76 HIS HA 1 89 GLU HA . . 3.720 3.103 2.531 4.194 0.474 5 0 "[ . 1]" 1
1774 1 76 HIS HA 1 90 LEU H . . 3.670 3.407 3.011 3.712 0.042 6 0 "[ . 1]" 1
1775 1 76 HIS HA 1 90 LEU QB . . 5.260 4.547 4.070 5.075 . 0 0 "[ . 1]" 1
1776 1 76 HIS QB 1 77 TYR H . . 3.690 3.458 3.374 3.505 . 0 0 "[ . 1]" 1
1777 1 76 HIS QB 1 78 ALA MB . . 4.870 4.205 3.964 4.330 . 0 0 "[ . 1]" 1
1778 1 76 HIS QB 1 87 LEU QD . . 3.190 2.600 2.231 3.266 0.076 5 0 "[ . 1]" 1
1779 1 76 HIS QB 1 88 ALA H . . 4.330 4.785 4.419 5.070 0.740 5 6 "[ ***+- *]" 1
1780 1 76 HIS QB 1 90 LEU H . . 5.340 5.256 4.921 5.643 0.303 6 0 "[ . 1]" 1
1781 1 76 HIS HB2 1 77 TYR H . . 4.530 4.372 4.285 4.409 . 0 0 "[ . 1]" 1
1782 1 76 HIS HB2 1 87 LEU QD . . 4.370 3.794 3.390 4.546 0.176 5 0 "[ . 1]" 1
1783 1 76 HIS HB3 1 77 TYR H . . 4.530 3.623 3.531 3.682 . 0 0 "[ . 1]" 1
1784 1 76 HIS HB3 1 87 LEU QD . . 4.370 2.650 2.260 3.347 . 0 0 "[ . 1]" 1
1785 1 77 TYR H 1 77 TYR QB . . 3.320 2.295 2.233 2.394 . 0 0 "[ . 1]" 1
1786 1 77 TYR H 1 78 ALA HA . . 5.500 5.333 5.262 5.384 . 0 0 "[ . 1]" 1
1787 1 77 TYR H 1 78 ALA MB . . 5.230 5.005 4.948 5.059 . 0 0 "[ . 1]" 1
1788 1 77 TYR H 1 87 LEU QD . . 3.770 3.737 3.489 4.169 0.399 5 0 "[ . 1]" 1
1789 1 77 TYR H 1 88 ALA H . . 3.770 3.808 3.538 4.166 0.396 5 0 "[ . 1]" 1
1790 1 77 TYR H 1 88 ALA HA . . 5.500 5.258 4.931 5.564 0.064 5 0 "[ . 1]" 1
1791 1 77 TYR H 1 88 ALA MB . . 3.940 3.456 3.096 3.885 . 0 0 "[ . 1]" 1
1792 1 77 TYR H 1 89 GLU H . . 5.460 5.076 4.870 5.495 0.035 5 0 "[ . 1]" 1
1793 1 77 TYR H 1 90 LEU H . . 4.140 3.758 3.314 4.053 . 0 0 "[ . 1]" 1
1794 1 77 TYR H 1 90 LEU QB . . 4.570 4.233 3.915 4.581 0.011 6 0 "[ . 1]" 1
1795 1 77 TYR H 1 90 LEU QD . . 5.440 5.237 4.887 5.602 0.162 6 0 "[ . 1]" 1
1796 1 77 TYR HA 1 77 TYR QE . . 4.870 4.400 4.200 4.530 . 0 0 "[ . 1]" 1
1797 1 77 TYR HA 1 78 ALA H . . 2.440 2.123 2.098 2.145 . 0 0 "[ . 1]" 1
1798 1 77 TYR HA 1 78 ALA HA . . 4.520 4.384 4.372 4.394 . 0 0 "[ . 1]" 1
1799 1 77 TYR HA 1 78 ALA MB . . 4.110 3.927 3.899 3.964 . 0 0 "[ . 1]" 1
1800 1 77 TYR HA 1 87 LEU QD . . 5.440 4.432 4.235 4.897 . 0 0 "[ . 1]" 1
1801 1 77 TYR HA 1 88 ALA MB . . 4.840 4.617 4.166 5.103 0.263 2 0 "[ . 1]" 1
1802 1 77 TYR HA 1 90 LEU QD . . 5.440 6.202 5.920 6.498 1.058 6 9 [****.+**-*] 1
1803 1 77 TYR QB 1 78 ALA H . . 3.490 3.114 3.089 3.148 . 0 0 "[ . 1]" 1
1804 1 77 TYR QB 1 88 ALA H . . 4.590 3.611 3.314 3.989 . 0 0 "[ . 1]" 1
1805 1 77 TYR QB 1 88 ALA MB . . 3.960 2.219 1.673 2.815 . 0 0 "[ . 1]" 1
1806 1 78 ALA H 1 78 ALA MB . . 2.750 2.575 2.535 2.612 . 0 0 "[ . 1]" 1
1807 1 78 ALA H 1 79 LEU H . . 4.490 4.212 4.118 4.322 . 0 0 "[ . 1]" 1
1808 1 78 ALA H 1 79 LEU HA . . 4.960 4.642 4.551 4.715 . 0 0 "[ . 1]" 1
1809 1 78 ALA H 1 87 LEU QD . . 4.870 4.137 3.935 4.552 . 0 0 "[ . 1]" 1
1810 1 78 ALA H 1 88 ALA H . . 4.980 4.945 4.802 5.126 0.146 2 0 "[ . 1]" 1
1811 1 78 ALA HA 1 79 LEU H . . 2.460 2.148 2.129 2.178 . 0 0 "[ . 1]" 1
1812 1 78 ALA HA 1 79 LEU HA . . 5.040 4.371 4.352 4.391 . 0 0 "[ . 1]" 1
1813 1 78 ALA HA 1 79 LEU HB2 . . 5.020 4.490 4.397 4.592 . 0 0 "[ . 1]" 1
1814 1 78 ALA HA 1 79 LEU HB3 . . 5.060 4.633 4.604 4.674 . 0 0 "[ . 1]" 1
1815 1 78 ALA HA 1 86 ALA H . . 4.690 4.687 4.235 4.990 0.300 3 0 "[ . 1]" 1
1816 1 78 ALA HA 1 86 ALA MB . . 4.500 4.640 4.054 5.099 0.599 3 1 "[ + . 1]" 1
1817 1 78 ALA HA 1 87 LEU H . . 4.760 5.164 4.956 5.417 0.657 2 2 "[-+ . 1]" 1
1818 1 78 ALA HA 1 87 LEU HA . . 3.240 2.689 2.544 2.874 . 0 0 "[ . 1]" 1
1819 1 78 ALA HA 1 87 LEU HB3 . . 5.500 5.642 5.467 5.815 0.315 1 0 "[ . 1]" 1
1820 1 78 ALA HA 1 87 LEU QD . . 4.120 2.794 2.532 3.214 . 0 0 "[ . 1]" 1
1821 1 78 ALA HA 1 88 ALA H . . 3.690 3.405 3.181 3.610 . 0 0 "[ . 1]" 1
1822 1 78 ALA MB 1 79 LEU H . . 3.060 3.108 2.910 3.218 0.158 1 0 "[ . 1]" 1
1823 1 78 ALA MB 1 79 LEU HA . . 4.630 4.268 4.174 4.331 . 0 0 "[ . 1]" 1
1824 1 78 ALA MB 1 85 GLN HE21 . . 4.120 3.263 2.647 3.642 . 0 0 "[ . 1]" 1
1825 1 78 ALA MB 1 85 GLN HE22 . . 4.120 2.251 1.991 2.534 . 0 0 "[ . 1]" 1
1826 1 78 ALA MB 1 86 ALA H . . 3.980 4.474 3.925 4.761 0.781 3 7 "[**+**- *]" 1
1827 1 78 ALA MB 1 87 LEU H . . 4.870 5.456 5.034 5.739 0.869 1 7 "[+*-*** *]" 1
1828 1 78 ALA MB 1 87 LEU HA . . 3.340 3.351 2.958 3.563 0.223 1 0 "[ . 1]" 1
1829 1 78 ALA MB 1 87 LEU QD . . 2.960 2.172 1.887 2.536 . 0 0 "[ . 1]" 1
1830 1 78 ALA MB 1 87 LEU HG . . 4.650 4.523 4.164 4.966 0.316 5 0 "[ . 1]" 1
1831 1 78 ALA MB 1 88 ALA H . . 4.190 4.111 3.822 4.376 0.186 2 0 "[ . 1]" 1
1832 1 79 LEU H 1 79 LEU HB2 . . 3.320 2.724 2.636 2.861 . 0 0 "[ . 1]" 1
1833 1 79 LEU H 1 79 LEU HB3 . . 3.640 2.519 2.478 2.565 . 0 0 "[ . 1]" 1
1834 1 79 LEU H 1 79 LEU QD . . 4.060 3.795 3.758 3.840 . 0 0 "[ . 1]" 1
1835 1 79 LEU H 1 80 CYS H . . 4.520 4.353 4.252 4.448 . 0 0 "[ . 1]" 1
1836 1 79 LEU H 1 80 CYS HA . . 5.310 5.065 4.948 5.192 . 0 0 "[ . 1]" 1
1837 1 79 LEU H 1 86 ALA H . . 3.040 3.387 2.992 3.662 0.622 7 3 "[ -* . + 1]" 1
1838 1 79 LEU H 1 86 ALA HA . . 4.900 5.198 4.890 5.572 0.672 2 2 "[ + . - 1]" 1
1839 1 79 LEU H 1 86 ALA MB . . 3.200 3.461 2.789 3.931 0.731 3 2 "[ -+ . 1]" 1
1840 1 79 LEU H 1 87 LEU H . . 5.160 5.324 5.100 5.746 0.586 2 2 "[ + . - 1]" 1
1841 1 79 LEU H 1 87 LEU HA . . 4.040 3.889 3.567 4.214 0.174 7 0 "[ . 1]" 1
1842 1 79 LEU HA 1 79 LEU QD . . 3.210 2.034 1.997 2.058 . 0 0 "[ . 1]" 1
1843 1 79 LEU HA 1 79 LEU HG . . 4.100 3.104 3.053 3.151 . 0 0 "[ . 1]" 1
1844 1 79 LEU HA 1 80 CYS H . . 2.480 2.136 2.121 2.147 . 0 0 "[ . 1]" 1
1845 1 79 LEU HB2 1 80 CYS H . . 4.650 4.374 4.305 4.448 . 0 0 "[ . 1]" 1
1846 1 79 LEU HB2 1 86 ALA H . . 5.190 4.895 4.439 5.482 0.292 7 0 "[ . 1]" 1
1847 1 79 LEU HB2 1 86 ALA MB . . 4.320 3.725 3.208 4.400 0.080 3 0 "[ . 1]" 1
1848 1 79 LEU HB3 1 80 CYS H . . 4.360 4.291 4.208 4.356 . 0 0 "[ . 1]" 1
1849 1 79 LEU HB3 1 80 CYS HA . . 5.000 4.874 4.797 4.949 . 0 0 "[ . 1]" 1
1850 1 79 LEU HB3 1 86 ALA MB . . 3.710 2.757 2.342 3.422 . 0 0 "[ . 1]" 1
1851 1 79 LEU QD 1 80 CYS H . . 3.100 2.637 2.416 2.834 . 0 0 "[ . 1]" 1
1852 1 79 LEU QD 1 80 CYS QB . . 4.200 4.333 4.128 4.505 0.305 1 0 "[ . 1]" 1
1853 1 79 LEU QD 1 81 THR H . . 4.270 4.685 4.483 4.818 0.548 1 3 "[+ *- 1]" 1
1854 1 79 LEU QD 1 81 THR HA . . 4.530 4.454 4.188 4.629 0.099 1 0 "[ . 1]" 1
1855 1 79 LEU QD 1 81 THR HB . . 5.390 4.860 4.502 5.121 . 0 0 "[ . 1]" 1
1856 1 79 LEU QD 1 81 THR MG . . 2.850 2.848 2.397 3.559 0.709 6 2 "[ -+ 1]" 1
1857 1 79 LEU QD 1 86 ALA H . . 5.500 4.533 4.080 5.141 . 0 0 "[ . 1]" 1
1858 1 79 LEU QD 1 86 ALA MB . . 4.720 3.308 2.926 3.944 . 0 0 "[ . 1]" 1
1859 1 79 LEU HG 1 80 CYS H . . 4.430 3.436 3.160 3.583 . 0 0 "[ . 1]" 1
1860 1 79 LEU HG 1 80 CYS QB . . 5.340 5.098 4.949 5.277 . 0 0 "[ . 1]" 1
1861 1 80 CYS H 1 80 CYS QB . . 2.950 2.467 2.369 2.529 . 0 0 "[ . 1]" 1
1862 1 80 CYS H 1 81 THR H . . 4.360 4.316 4.225 4.389 0.029 3 0 "[ . 1]" 1
1863 1 80 CYS HA 1 81 THR H . . 2.420 2.111 2.072 2.128 . 0 0 "[ . 1]" 1
1864 1 80 CYS HA 1 84 GLY H . . 4.490 5.156 4.965 5.526 1.036 7 9 "[*- ***+***]" 1
1865 1 80 CYS HA 1 85 GLN HA . . 3.290 3.949 3.157 4.440 1.150 7 7 "[** .-+***]" 1
1866 1 80 CYS QB 1 84 GLY H . . 5.340 6.120 5.690 6.528 1.188 7 8 "[** -.*+***]" 1
1867 1 80 CYS QB 1 85 GLN QE . . 5.180 4.675 4.259 4.930 . 0 0 "[ . 1]" 1
1868 1 81 THR H 1 81 THR HB . . 3.910 3.517 2.955 3.772 . 0 0 "[ . 1]" 1
1869 1 81 THR H 1 81 THR MG . . 3.160 3.022 2.535 3.860 0.700 6 3 "[ *+ - 1]" 1
1870 1 81 THR H 1 82 SER H . . 4.570 4.325 4.304 4.364 . 0 0 "[ . 1]" 1
1871 1 81 THR H 1 83 GLY H . . 4.360 3.219 3.158 3.314 . 0 0 "[ . 1]" 1
1872 1 81 THR H 1 83 GLY QA . . 5.500 4.493 4.381 4.618 . 0 0 "[ . 1]" 1
1873 1 81 THR H 1 84 GLY H . . 2.990 3.289 3.107 3.627 0.637 7 1 "[ . + 1]" 1
1874 1 81 THR H 1 84 GLY QA . . 3.960 4.478 4.223 4.908 0.948 7 3 "[* . + -1]" 1
1875 1 81 THR H 1 85 GLN H . . 4.880 5.744 5.214 6.133 1.253 7 9 [***-.*+***] 1
1876 1 81 THR HA 1 81 THR MG . . 3.100 2.325 2.158 2.455 . 0 0 "[ . 1]" 1
1877 1 81 THR HA 1 82 SER H . . 3.480 2.681 2.654 2.710 . 0 0 "[ . 1]" 1
1878 1 81 THR HA 1 82 SER QB . . 4.600 4.976 4.894 5.068 0.468 10 0 "[ . 1]" 1
1879 1 81 THR HA 1 83 GLY H . . 4.370 3.999 3.966 4.036 . 0 0 "[ . 1]" 1
1880 1 81 THR HB 1 82 SER H . . 2.980 2.045 1.782 2.596 . 0 0 "[ . 1]" 1
1881 1 81 THR HB 1 82 SER QB . . 4.940 3.772 3.542 3.980 . 0 0 "[ . 1]" 1
1882 1 81 THR HB 1 83 GLY H . . 4.360 3.378 2.719 3.830 . 0 0 "[ . 1]" 1
1883 1 81 THR MG 1 82 SER H . . 3.720 2.977 1.716 3.615 . 0 0 "[ . 1]" 1
1884 1 81 THR MG 1 83 GLY H . . 4.540 4.205 3.915 4.347 . 0 0 "[ . 1]" 1
1885 1 81 THR MG 1 84 GLY H . . 3.680 3.791 3.647 3.938 0.258 1 0 "[ . 1]" 1
1886 1 81 THR MG 1 85 GLN H . . 5.300 5.751 5.316 6.178 0.878 5 4 "[- +* * 1]" 1
1887 1 82 SER H 1 82 SER QB . . 3.190 2.572 2.486 2.688 . 0 0 "[ . 1]" 1
1888 1 82 SER H 1 83 GLY H . . 3.680 3.100 2.994 3.155 . 0 0 "[ . 1]" 1
1889 1 82 SER H 1 83 GLY QA . . 5.280 4.882 4.809 4.932 . 0 0 "[ . 1]" 1
1890 1 82 SER H 1 84 GLY H . . 4.320 3.864 3.679 4.015 . 0 0 "[ . 1]" 1
1891 1 82 SER HA 1 82 SER QB . . 2.600 2.313 2.268 2.345 . 0 0 "[ . 1]" 1
1892 1 82 SER HA 1 83 GLY H . . 3.240 3.201 3.146 3.240 . 9 0 "[ . 1]" 1
1893 1 82 SER HA 1 83 GLY QA . . 5.060 4.175 4.144 4.211 . 0 0 "[ . 1]" 1
1894 1 82 SER HA 1 84 GLY H . . 4.930 4.847 4.695 4.941 0.011 2 0 "[ . 1]" 1
1895 1 82 SER QB 1 83 GLY H . . 3.940 3.596 3.540 3.651 . 0 0 "[ . 1]" 1
1896 1 82 SER QB 1 84 GLY H . . 5.120 4.190 4.108 4.301 . 0 0 "[ . 1]" 1
1897 1 83 GLY H 1 84 GLY H . . 2.650 1.901 1.834 1.944 . 0 0 "[ . 1]" 1
1898 1 83 GLY QA 1 84 GLY H . . 3.230 2.851 2.828 2.868 . 0 0 "[ . 1]" 1
1899 1 84 GLY H 1 84 GLY QA . . 2.790 2.333 2.311 2.367 . 0 0 "[ . 1]" 1
1900 1 84 GLY H 1 85 GLN H . . 4.520 4.473 4.429 4.517 . 0 0 "[ . 1]" 1
1901 1 84 GLY H 1 85 GLN HA . . 5.110 4.863 4.791 4.911 . 0 0 "[ . 1]" 1
1902 1 84 GLY QA 1 85 GLN H . . 2.570 2.208 2.173 2.243 . 0 0 "[ . 1]" 1
1903 1 84 GLY QA 1 85 GLN HA . . 4.870 3.952 3.945 3.960 . 0 0 "[ . 1]" 1
1904 1 84 GLY QA 1 85 GLN QB . . 4.590 3.704 3.637 3.772 . 0 0 "[ . 1]" 1
1905 1 84 GLY QA 1 86 ALA MB . . 5.490 5.238 5.172 5.307 . 0 0 "[ . 1]" 1
1906 1 85 GLN H 1 85 GLN QB . . 3.030 2.537 2.437 2.611 . 0 0 "[ . 1]" 1
1907 1 85 GLN H 1 86 ALA H . . 4.210 4.272 4.154 4.416 0.206 7 0 "[ . 1]" 1
1908 1 85 GLN H 1 86 ALA MB . . 4.260 4.664 4.428 4.945 0.685 9 2 "[- . +1]" 1
1909 1 85 GLN HA 1 86 ALA H . . 2.440 2.136 2.109 2.195 . 0 0 "[ . 1]" 1
1910 1 85 GLN HA 1 86 ALA HA . . 4.570 4.398 4.367 4.454 . 0 0 "[ . 1]" 1
1911 1 85 GLN HA 1 86 ALA MB . . 4.050 4.046 3.935 4.109 0.059 2 0 "[ . 1]" 1
1912 1 85 GLN QB 1 85 GLN QE . . 3.760 3.379 3.354 3.406 . 0 0 "[ . 1]" 1
1913 1 85 GLN QB 1 85 GLN HE22 . . 4.500 4.164 4.115 4.213 . 0 0 "[ . 1]" 1
1914 1 85 GLN QB 1 86 ALA H . . 3.970 3.673 3.266 3.851 . 0 0 "[ . 1]" 1
1915 1 85 GLN QE 1 87 LEU H . . 5.340 4.410 3.853 5.128 . 0 0 "[ . 1]" 1
1916 1 85 GLN QE 1 87 LEU HB2 . . 4.940 3.957 3.413 4.500 . 0 0 "[ . 1]" 1
1917 1 85 GLN QE 1 87 LEU QD . . 3.320 3.534 3.028 4.044 0.724 7 2 "[ - . + 1]" 1
1918 1 85 GLN HE21 1 86 ALA MB . . 4.890 4.165 3.797 4.617 . 0 0 "[ . 1]" 1
1919 1 85 GLN HE22 1 86 ALA MB . . 4.890 4.576 4.184 4.990 0.100 6 0 "[ . 1]" 1
1920 1 86 ALA H 1 86 ALA MB . . 3.140 2.567 2.455 2.729 . 0 0 "[ . 1]" 1
1921 1 86 ALA H 1 87 LEU H . . 4.460 4.328 4.061 4.450 . 0 0 "[ . 1]" 1
1922 1 86 ALA HA 1 87 LEU H . . 2.400 2.218 2.140 2.275 . 0 0 "[ . 1]" 1
1923 1 86 ALA HA 1 87 LEU HB3 . . 5.290 4.678 4.584 4.800 . 0 0 "[ . 1]" 1
1924 1 86 ALA MB 1 87 LEU H . . 3.260 2.904 2.698 3.152 . 0 0 "[ . 1]" 1
1925 1 87 LEU H 1 87 LEU HB2 . . 2.720 2.828 2.676 2.983 0.263 7 0 "[ . 1]" 1
1926 1 87 LEU H 1 87 LEU HB3 . . 3.260 2.718 2.561 2.829 . 0 0 "[ . 1]" 1
1927 1 87 LEU H 1 87 LEU QD . . 3.990 3.755 3.702 3.876 . 0 0 "[ . 1]" 1
1928 1 87 LEU H 1 88 ALA H . . 4.600 4.405 4.316 4.512 . 0 0 "[ . 1]" 1
1929 1 87 LEU HA 1 87 LEU QD . . 3.800 1.910 1.838 2.137 . 0 0 "[ . 1]" 1
1930 1 87 LEU HA 1 87 LEU HG . . 3.790 3.634 3.001 3.717 . 0 0 "[ . 1]" 1
1931 1 87 LEU HA 1 88 ALA H . . 2.400 2.186 2.143 2.228 . 0 0 "[ . 1]" 1
1932 1 87 LEU HA 1 88 ALA HA . . 4.520 4.420 4.402 4.447 . 0 0 "[ . 1]" 1
1933 1 87 LEU HA 1 88 ALA MB . . 4.050 3.975 3.950 4.001 . 0 0 "[ . 1]" 1
1934 1 87 LEU HB2 1 87 LEU QD . . 2.880 2.377 2.121 2.426 . 0 0 "[ . 1]" 1
1935 1 87 LEU HB2 1 88 ALA H . . 4.430 4.289 4.070 4.421 . 0 0 "[ . 1]" 1
1936 1 87 LEU HB3 1 88 ALA H . . 3.710 3.998 3.926 4.062 0.352 2 0 "[ . 1]" 1
1937 1 87 LEU HB3 1 88 ALA HA . . 4.710 4.586 4.501 4.698 . 0 0 "[ . 1]" 1
1938 1 87 LEU QD 1 88 ALA H . . 3.870 2.069 1.911 2.364 . 0 0 "[ . 1]" 1
1939 1 87 LEU QD 1 88 ALA HA . . 5.410 3.177 2.758 4.298 . 0 0 "[ . 1]" 1
1940 1 87 LEU QD 1 89 GLU H . . 5.440 3.916 3.367 4.681 . 0 0 "[ . 1]" 1
1941 1 87 LEU QD 1 89 GLU HA . . 5.040 3.768 3.470 4.338 . 0 0 "[ . 1]" 1
1942 1 87 LEU HG 1 88 ALA H . . 4.270 4.344 2.462 4.783 0.513 2 1 "[ + . 1]" 1
1943 1 88 ALA H 1 88 ALA MB . . 2.870 2.513 2.439 2.656 . 0 0 "[ . 1]" 1
1944 1 88 ALA H 1 89 GLU HA . . 5.090 4.802 4.626 4.946 . 0 0 "[ . 1]" 1
1945 1 88 ALA HA 1 89 GLU H . . 2.400 2.279 2.156 2.403 0.003 9 0 "[ . 1]" 1
1946 1 88 ALA HA 1 89 GLU QB . . 5.010 4.203 3.900 4.447 . 0 0 "[ . 1]" 1
1947 1 88 ALA MB 1 89 GLU H . . 2.780 2.694 2.396 3.044 0.264 1 0 "[ . 1]" 1
1948 1 89 GLU H 1 89 GLU QB . . 2.790 2.534 2.368 2.701 . 0 0 "[ . 1]" 1
1949 1 89 GLU H 1 90 LEU QD . . 5.440 5.362 5.206 5.488 0.048 9 0 "[ . 1]" 1
1950 1 89 GLU HA 1 90 LEU H . . 2.550 2.128 2.086 2.166 . 0 0 "[ . 1]" 1
1951 1 89 GLU HA 1 90 LEU QD . . 5.440 5.159 5.095 5.203 . 0 0 "[ . 1]" 1
1952 1 90 LEU H 1 90 LEU QB . . 3.120 2.431 2.343 2.590 . 0 0 "[ . 1]" 1
1953 1 90 LEU H 1 90 LEU QD . . 4.010 3.874 3.821 3.947 . 0 0 "[ . 1]" 1
1954 1 90 LEU H 1 90 LEU HG . . 4.780 4.492 4.453 4.574 . 0 0 "[ . 1]" 1
1955 1 90 LEU H 1 91 ILE H . . 4.610 4.340 4.107 4.488 . 0 0 "[ . 1]" 1
1956 1 90 LEU H 1 91 ILE HA . . 5.280 4.952 4.810 5.039 . 0 0 "[ . 1]" 1
1957 1 90 LEU HA 1 90 LEU QD . . 2.860 2.011 1.926 2.053 . 0 0 "[ . 1]" 1
1958 1 90 LEU HA 1 90 LEU HG . . 4.000 3.088 3.035 3.123 . 0 0 "[ . 1]" 1
1959 1 90 LEU HA 1 91 ILE H . . 2.510 2.155 2.113 2.224 . 0 0 "[ . 1]" 1
1960 1 90 LEU HA 1 91 ILE HA . . 4.820 4.389 4.353 4.419 . 0 0 "[ . 1]" 1
1961 1 90 LEU HA 1 91 ILE HB . . 4.570 4.687 4.628 4.754 0.184 9 0 "[ . 1]" 1
1962 1 90 LEU HA 1 92 VAL QG . . 5.500 4.770 4.583 5.004 . 0 0 "[ . 1]" 1
1963 1 90 LEU QB 1 91 ILE H . . 4.430 3.753 3.640 3.837 . 0 0 "[ . 1]" 1
1964 1 90 LEU QB 1 92 VAL QG . . 4.230 3.865 3.539 4.224 . 0 0 "[ . 1]" 1
1965 1 90 LEU QD 1 91 ILE H . . 3.480 2.444 2.289 2.619 . 0 0 "[ . 1]" 1
1966 1 90 LEU HG 1 91 ILE H . . 3.640 3.116 2.779 3.453 . 0 0 "[ . 1]" 1
1967 1 91 ILE H 1 91 ILE HB . . 2.890 2.698 2.623 2.789 . 0 0 "[ . 1]" 1
1968 1 91 ILE H 1 91 ILE MD . . 3.990 2.968 2.051 4.024 0.034 9 0 "[ . 1]" 1
1969 1 91 ILE H 1 91 ILE HG12 . . 4.840 4.177 3.822 4.567 . 0 0 "[ . 1]" 1
1970 1 91 ILE H 1 91 ILE HG13 . . 4.070 3.286 2.657 3.842 . 0 0 "[ . 1]" 1
1971 1 91 ILE H 1 91 ILE MG . . 3.920 3.870 3.842 3.911 . 0 0 "[ . 1]" 1
1972 1 91 ILE H 1 92 VAL H . . 4.100 4.166 4.043 4.278 0.178 3 0 "[ . 1]" 1
1973 1 91 ILE H 1 92 VAL HA . . 4.870 4.731 4.583 4.922 0.052 7 0 "[ . 1]" 1
1974 1 91 ILE H 1 92 VAL QG . . 4.470 4.068 3.799 4.257 . 0 0 "[ . 1]" 1
1975 1 91 ILE H 1 93 GLN QG . . 5.500 5.986 5.201 6.537 1.037 1 6 "[+ * .*-**1]" 1
1976 1 91 ILE HA 1 91 ILE MD . . 3.750 3.512 3.173 3.888 0.138 1 0 "[ . 1]" 1
1977 1 91 ILE HA 1 91 ILE HG12 . . 3.640 3.217 2.549 3.635 . 0 0 "[ . 1]" 1
1978 1 91 ILE HA 1 91 ILE HG13 . . 3.540 2.690 2.396 3.136 . 0 0 "[ . 1]" 1
1979 1 91 ILE HA 1 91 ILE MG . . 3.070 2.379 2.312 2.439 . 0 0 "[ . 1]" 1
1980 1 91 ILE HA 1 92 VAL H . . 2.400 2.154 2.134 2.174 . 0 0 "[ . 1]" 1
1981 1 91 ILE HA 1 92 VAL QG . . 4.170 3.758 3.644 3.944 . 0 0 "[ . 1]" 1
1982 1 91 ILE HB 1 91 ILE MD . . 3.140 2.351 2.291 2.423 . 0 0 "[ . 1]" 1
1983 1 91 ILE MD 1 92 VAL H . . 5.010 5.116 4.913 5.404 0.394 5 0 "[ . 1]" 1
1984 1 91 ILE MD 1 93 GLN QG . . 5.500 5.325 4.557 6.111 0.611 6 1 "[ .+ 1]" 1
1985 1 91 ILE HG12 1 91 ILE MG . . 3.230 2.257 2.171 2.388 . 0 0 "[ . 1]" 1
1986 1 91 ILE HG13 1 91 ILE MG . . 3.010 2.845 2.588 3.209 0.199 7 0 "[ . 1]" 1
1987 1 91 ILE HG13 1 92 VAL H . . 4.340 4.757 4.384 5.159 0.819 9 4 "[* - * +1]" 1
1988 1 91 ILE MG 1 92 VAL H . . 3.200 2.991 2.701 3.124 . 0 0 "[ . 1]" 1
1989 1 91 ILE MG 1 92 VAL HA . . 4.490 3.871 3.678 4.043 . 0 0 "[ . 1]" 1
1990 1 91 ILE MG 1 92 VAL QG . . 4.590 4.203 4.057 4.296 . 0 0 "[ . 1]" 1
1991 1 91 ILE MG 1 93 GLN H . . 4.420 4.316 4.175 4.492 0.072 8 0 "[ . 1]" 1
1992 1 91 ILE MG 1 93 GLN HA . . 4.820 4.378 4.087 4.756 . 0 0 "[ . 1]" 1
1993 1 91 ILE MG 1 93 GLN QE . . 4.450 3.599 3.001 4.495 0.045 4 0 "[ . 1]" 1
1994 1 91 ILE MG 1 93 GLN QG . . 3.360 2.453 2.076 2.695 . 0 0 "[ . 1]" 1
1995 1 92 VAL H 1 92 VAL HB . . 2.880 2.515 2.427 2.592 . 0 0 "[ . 1]" 1
1996 1 92 VAL H 1 92 VAL QG . . 2.890 2.581 2.479 2.705 . 0 0 "[ . 1]" 1
1997 1 92 VAL H 1 93 GLN H . . 4.670 4.436 4.308 4.524 . 0 0 "[ . 1]" 1
1998 1 92 VAL H 1 93 GLN QG . . 4.140 4.251 3.873 4.594 0.454 8 0 "[ . 1]" 1
1999 1 92 VAL HA 1 92 VAL QG . . 2.940 2.131 2.116 2.144 . 0 0 "[ . 1]" 1
2000 1 92 VAL HA 1 93 GLN H . . 2.400 2.150 2.075 2.260 . 0 0 "[ . 1]" 1
2001 1 92 VAL HA 1 93 GLN QE . . 4.100 3.480 2.287 4.554 0.454 2 0 "[ . 1]" 1
2002 1 92 VAL HB 1 93 GLN H . . 4.360 4.166 3.993 4.289 . 0 0 "[ . 1]" 1
2003 1 92 VAL QG 1 93 GLN H . . 2.840 2.541 2.238 2.773 . 0 0 "[ . 1]" 1
2004 1 92 VAL QG 1 93 GLN HA . . 4.060 3.529 3.416 3.679 . 0 0 "[ . 1]" 1
2005 1 92 VAL QG 1 93 GLN QG . . 4.520 4.172 3.870 4.336 . 0 0 "[ . 1]" 1
2006 1 92 VAL QG 1 94 GLU H . . 4.310 4.613 4.362 4.835 0.525 10 1 "[ . +]" 1
2007 1 92 VAL QG 1 94 GLU HA . . 4.220 4.443 4.209 4.761 0.541 9 1 "[ . +1]" 1
2008 1 92 VAL QG 1 94 GLU QG . . 4.770 4.070 3.703 4.646 . 0 0 "[ . 1]" 1
2009 1 92 VAL QG 1 95 LYS H . . 5.360 5.480 4.826 5.739 0.379 5 0 "[ . 1]" 1
2010 1 93 GLN H 1 93 GLN QB . . 3.830 2.698 2.493 2.814 . 0 0 "[ . 1]" 1
2011 1 93 GLN H 1 93 GLN QE . . 5.290 2.467 1.775 3.323 . 0 0 "[ . 1]" 1
2012 1 93 GLN H 1 93 GLN QG . . 2.960 2.948 2.249 3.446 0.486 1 0 "[ . 1]" 1
2013 1 93 GLN H 1 94 GLU H . . 4.410 4.436 4.371 4.496 0.086 2 0 "[ . 1]" 1
2014 1 93 GLN H 1 94 GLU HA . . 5.020 4.890 4.815 4.987 . 0 0 "[ . 1]" 1
2015 1 93 GLN H 1 95 LYS H . . 5.400 5.625 5.138 6.179 0.779 3 3 "[ +-. * 1]" 1
2016 1 93 GLN HA 1 93 GLN QG . . 3.100 2.535 2.398 2.731 . 0 0 "[ . 1]" 1
2017 1 93 GLN HA 1 94 GLU H . . 2.400 2.331 2.203 2.440 0.040 3 0 "[ . 1]" 1
2018 1 93 GLN HA 1 94 GLU HA . . 4.380 4.366 4.285 4.419 0.039 10 0 "[ . 1]" 1
2019 1 93 GLN HA 1 94 GLU QG . . 4.290 3.677 3.466 3.948 . 0 0 "[ . 1]" 1
2020 1 93 GLN QB 1 94 GLU H . . 3.670 2.588 2.242 2.877 . 0 0 "[ . 1]" 1
2021 1 93 GLN QE 1 93 GLN QG . . 2.930 2.538 2.220 2.704 . 0 0 "[ . 1]" 1
2022 1 93 GLN QE 1 94 GLU H . . 5.120 5.169 4.574 5.617 0.497 4 0 "[ . 1]" 1
2023 1 93 GLN QE 1 94 GLU HA . . 5.500 5.973 5.589 6.268 0.768 10 6 "[ - **** +]" 1
2024 1 93 GLN QE 1 95 LYS H . . 5.150 6.017 5.416 6.337 1.187 3 9 "[*-+***** *]" 1
2025 1 94 GLU H 1 94 GLU HA . . 2.790 2.907 2.858 2.947 0.157 2 0 "[ . 1]" 1
2026 1 94 GLU H 1 94 GLU HB2 . . 2.800 2.539 2.403 2.840 0.040 1 0 "[ . 1]" 1
2027 1 94 GLU H 1 94 GLU HB3 . . 3.690 3.648 3.595 3.727 0.037 10 0 "[ . 1]" 1
2028 1 94 GLU H 1 94 GLU QG . . 2.820 2.483 2.208 2.860 0.040 10 0 "[ . 1]" 1
2029 1 94 GLU H 1 95 LYS QE . . 5.330 4.884 3.619 6.558 1.228 3 2 "[ + . - 1]" 1
2030 1 94 GLU H 1 95 LYS QG . . 5.500 4.479 3.712 5.600 0.100 3 0 "[ . 1]" 1
2031 1 94 GLU HA 1 94 GLU HB3 . . 2.730 2.454 2.321 2.522 . 0 0 "[ . 1]" 1
2032 1 94 GLU HA 1 94 GLU HG2 . . 3.700 2.685 2.380 3.749 0.049 1 0 "[ . 1]" 1
2033 1 94 GLU HA 1 94 GLU HG3 . . 3.700 3.091 2.801 3.225 . 0 0 "[ . 1]" 1
2034 1 94 GLU HA 1 95 LYS H . . 2.400 2.145 2.105 2.168 . 0 0 "[ . 1]" 1
2035 1 94 GLU HA 1 95 LYS QG . . 4.490 3.864 3.516 4.191 . 0 0 "[ . 1]" 1
2036 1 94 GLU QG 1 95 LYS H . . 4.820 4.297 4.071 4.644 . 0 0 "[ . 1]" 1
2037 1 94 GLU HG2 1 95 LYS H . . 5.500 4.657 4.301 5.674 0.174 1 0 "[ . 1]" 1
2038 1 94 GLU HG3 1 95 LYS H . . 5.500 5.133 4.929 5.263 . 0 0 "[ . 1]" 1
2039 1 95 LYS H 1 95 LYS QG . . 3.030 2.656 2.159 3.033 0.003 6 0 "[ . 1]" 1
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