NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
570767 |
2md5   |
19474 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2md5
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 1442
_Distance_constraint_stats_list.Viol_count 2294
_Distance_constraint_stats_list.Viol_total 9595.243
_Distance_constraint_stats_list.Viol_max 2.758
_Distance_constraint_stats_list.Viol_rms 0.2234
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0665
_Distance_constraint_stats_list.Viol_average_violations_only 0.4183
_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 6.327 1.133 3 4 "[ +*- * 1]"
1 4 MET 8.277 1.133 3 4 "[ +*- * 1]"
1 5 GLY 1.974 0.702 3 1 "[ + . 1]"
1 6 ARG 2.250 0.702 3 1 "[ + . 1]"
1 7 ILE 2.355 0.355 1 0 "[ . 1]"
1 8 ALA 2.967 0.504 2 1 "[ + . 1]"
1 9 ASP 2.377 0.504 2 1 "[ + . 1]"
1 10 SER 0.000 0.000 . 0 "[ . 1]"
1 12 LEU 28.857 1.937 8 9 "[*** **-+**]"
1 13 LEU 12.026 0.797 3 6 "[ *+*.* - *]"
1 14 TRP 28.421 1.937 8 9 "[*** **-+**]"
1 15 ASP 1.334 0.465 8 0 "[ . 1]"
1 16 TYR 20.736 1.437 5 6 "[** +* **1]"
1 17 VAL 19.254 2.034 3 8 "[ +*****-*]"
1 18 TYR 5.126 0.876 5 4 "[ * + *-]"
1 19 GLN 4.781 0.802 8 2 "[- . + 1]"
1 20 LEU 23.060 2.034 3 7 "[* +*** *-]"
1 21 LEU 69.786 2.711 6 10 [****-+****]
1 22 SER 12.330 1.725 4 10 [***+***-**]
1 23 ASP 2.253 0.931 6 1 "[ .+ 1]"
1 24 SER 14.159 1.140 6 6 "[ **.+** -]"
1 25 ARG 5.184 0.740 8 1 "[ . + 1]"
1 26 TYR 45.040 1.989 9 10 [********+-]
1 27 GLU 16.566 1.140 6 8 "[ ****+** -]"
1 28 ASN 9.710 0.944 10 5 "[ - *** +]"
1 29 PHE 52.521 1.377 6 10 [*****+-***]
1 30 ILE 76.512 2.075 8 10 [*-*****+**]
1 31 ARG 129.898 2.758 2 10 [*+**-*****]
1 32 TRP 35.960 1.665 10 9 "[***** ***+]"
1 33 GLU 8.293 0.984 5 5 "[* * + * -]"
1 34 ASP 34.218 1.186 1 9 "[+ **-*****]"
1 35 LYS 37.907 1.665 10 10 [********-+]
1 36 GLU 18.021 1.186 1 7 "[+ **-** *1]"
1 37 SER 19.185 0.795 7 10 [-*****+***]
1 38 LYS 5.373 1.147 10 4 "[ **-. +]"
1 39 ILE 48.726 1.438 3 10 [-*+*******]
1 40 PHE 15.583 0.919 2 5 "[ + * **-1]"
1 41 ARG 57.469 2.758 2 10 [-+********]
1 42 ILE 92.469 1.958 10 10 [*****-***+]
1 43 VAL 67.137 1.767 10 10 [******-**+]
1 44 ASP 16.969 0.981 7 9 "[*- ***+***]"
1 45 PRO 9.880 0.990 1 4 "[+ *.* -]"
1 46 ASN 6.041 1.938 6 4 "[ * -+* 1]"
1 47 GLY 3.569 0.753 7 3 "[ *.-+ 1]"
1 48 LEU 33.651 1.854 6 8 "[*** *+-* *]"
1 49 ALA 18.672 1.138 2 9 "[-+**** ***]"
1 50 ARG 4.505 0.737 5 1 "[ + 1]"
1 51 LEU 40.524 1.989 9 10 [*-******+*]
1 52 TRP 57.978 1.655 5 10 [****+*****]
1 53 GLY 7.792 0.939 6 2 "[ .+ -]"
1 54 ASN 6.936 0.992 5 3 "[ + - *]"
1 55 HIS 6.144 1.437 5 4 "[ * +* - 1]"
1 56 LYS 16.411 1.655 5 7 "[ ***+** *1]"
1 57 ASN 0.995 0.257 10 0 "[ . 1]"
1 58 ARG 0.406 0.196 6 0 "[ . 1]"
1 59 THR 1.969 0.421 3 0 "[ . 1]"
1 60 ASN 0.799 0.421 3 0 "[ . 1]"
1 61 MET 33.725 1.186 2 8 "[ +**** ***]"
1 62 THR 17.874 0.959 1 10 [+******-**]
1 63 TYR 35.621 1.938 6 9 "[*****+*- *]"
1 64 GLU 2.965 0.840 3 2 "[ -+ . 1]"
1 65 LYS 3.093 0.959 1 1 "[+ . 1]"
1 66 MET 43.280 1.557 4 10 [***+****-*]
1 67 SER 4.674 1.715 4 2 "[ +- 1]"
1 68 ARG 1.590 0.367 4 0 "[ . 1]"
1 69 ALA 13.443 1.219 3 9 [*-+*.*****]
1 70 LEU 31.861 1.715 4 9 "[* *+****-*]"
1 71 ARG 0.785 0.464 8 0 "[ . 1]"
1 72 HIS 28.318 1.775 6 10 [*****+****]
1 73 TYR 52.964 1.775 6 10 [****-+****]
1 74 TYR 17.636 1.172 10 8 "[ **-****+]"
1 75 LYS 1.022 0.683 7 1 "[ . + 1]"
1 76 LEU 11.220 0.970 10 6 "[** *- *+]"
1 77 ASN 6.700 0.621 10 7 "[ -*** * *+]"
1 78 ILE 17.789 0.980 5 9 "[ -**+*****]"
1 79 ILE 28.814 1.447 10 10 [-********+]
1 80 ARG 9.628 1.011 1 8 "[+***-* * *]"
1 81 LYS 13.101 1.312 7 9 "[**-***+* *]"
1 82 GLU 22.982 1.041 10 8 "[***-. ***+]"
1 83 PRO 0.000 0.000 . 0 "[ . 1]"
1 84 GLY 0.146 0.146 2 0 "[ . 1]"
1 85 GLN 1.574 0.492 7 0 "[ . 1]"
1 86 ARG 4.219 0.810 4 1 "[ +. 1]"
1 87 LEU 15.124 1.566 6 7 "[* **.+** *]"
1 88 LEU 26.360 1.041 10 9 "[*** -****+]"
1 89 PHE 64.149 1.958 10 10 [***-*****+]
1 90 ARG 4.768 0.450 10 0 "[ . 1]"
1 91 PHE 4.033 0.586 4 3 "[ - +. *1]"
1 92 MET 9.336 1.011 1 6 "[+* ** *-1]"
1 93 LYS 16.968 1.261 1 8 "[+* *- ****]"
1 94 THR 19.377 1.261 1 9 "[+- *******]"
1 95 PRO 4.858 0.651 6 3 "[ *.+- 1]"
1 96 ASP 1.460 0.275 4 0 "[ . 1]"
1 97 GLU 3.810 1.081 4 2 "[ +. -]"
1 98 ILE 4.750 1.086 9 3 "[- * +1]"
1 99 MET 0.062 0.026 4 0 "[ . 1]"
1 100 SER 0.488 0.226 2 0 "[ . 1]"
1 101 GLY 6.487 1.174 8 3 "[ -. *+ 1]"
1 102 ARG 9.311 1.174 8 3 "[ -. *+ 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 HIS HA 1 3 HIS QB . . 2.650 2.287 2.178 2.440 . 0 0 "[ . 1]" 1
2 1 3 HIS QB 1 3 HIS HD2 . . 3.350 2.809 2.673 2.910 . 0 0 "[ . 1]" 1
3 1 3 HIS QB 1 4 MET H . . 3.690 3.307 1.933 3.971 0.281 7 0 "[ . 1]" 1
4 1 3 HIS HB2 1 4 MET H . . 4.370 3.813 1.942 4.492 0.122 7 0 "[ . 1]" 1
5 1 3 HIS HB3 1 4 MET H . . 4.370 3.913 2.492 4.457 0.087 4 0 "[ . 1]" 1
6 1 3 HIS HE1 1 4 MET H . . 4.950 5.449 4.935 6.083 1.133 3 4 "[ +*- * 1]" 1
7 1 4 MET H 1 4 MET QB . . 2.990 2.443 2.284 2.613 . 0 0 "[ . 1]" 1
8 1 4 MET H 1 4 MET QG . . 3.820 3.186 2.107 4.037 0.217 4 0 "[ . 1]" 1
9 1 4 MET H 1 5 GLY QA . . 4.750 4.780 4.104 5.011 0.261 1 0 "[ . 1]" 1
10 1 4 MET QB 1 5 GLY H . . 4.570 3.281 2.059 3.972 . 0 0 "[ . 1]" 1
11 1 4 MET QB 1 5 GLY QA . . 4.400 4.044 3.508 4.518 0.118 10 0 "[ . 1]" 1
12 1 5 GLY QA 1 6 ARG H . . 3.200 2.441 2.119 2.761 . 0 0 "[ . 1]" 1
13 1 5 GLY QA 1 6 ARG QB . . 4.370 4.156 3.799 4.461 0.091 9 0 "[ . 1]" 1
14 1 5 GLY QA 1 6 ARG QG . . 4.430 3.723 3.211 5.132 0.702 3 1 "[ + . 1]" 1
15 1 6 ARG H 1 6 ARG QG . . 3.740 2.881 1.960 4.237 0.497 3 0 "[ . 1]" 1
16 1 6 ARG HA 1 6 ARG QD . . 4.300 3.996 2.539 4.487 0.187 2 0 "[ . 1]" 1
17 1 6 ARG HA 1 6 ARG QG . . 3.510 2.811 2.308 3.353 . 0 0 "[ . 1]" 1
18 1 6 ARG HA 1 7 ILE H . . 3.300 2.291 2.104 2.660 . 0 0 "[ . 1]" 1
19 1 6 ARG HA 1 7 ILE MD . . 5.430 4.462 2.810 5.369 . 0 0 "[ . 1]" 1
20 1 6 ARG HA 1 7 ILE QG . . 4.750 3.894 3.495 4.603 . 0 0 "[ . 1]" 1
21 1 6 ARG HA 1 7 ILE MG . . 5.500 5.527 5.420 5.667 0.167 8 0 "[ . 1]" 1
22 1 6 ARG QB 1 6 ARG QD . . 2.770 2.213 2.105 2.361 . 0 0 "[ . 1]" 1
23 1 6 ARG QG 1 7 ILE QG . . 5.340 5.054 4.656 5.695 0.355 1 0 "[ . 1]" 1
24 1 7 ILE H 1 7 ILE HB . . 3.110 2.564 2.506 2.656 . 0 0 "[ . 1]" 1
25 1 7 ILE H 1 7 ILE MD . . 4.330 3.341 2.375 3.959 . 0 0 "[ . 1]" 1
26 1 7 ILE H 1 7 ILE HG12 . . 4.230 2.884 2.092 4.414 0.184 7 0 "[ . 1]" 1
27 1 7 ILE H 1 7 ILE QG . . 3.550 2.415 2.013 3.577 0.027 7 0 "[ . 1]" 1
28 1 7 ILE H 1 7 ILE HG13 . . 4.230 3.319 2.032 4.072 . 0 0 "[ . 1]" 1
29 1 7 ILE H 1 7 ILE MG . . 4.000 3.798 3.752 3.861 . 0 0 "[ . 1]" 1
30 1 7 ILE HA 1 7 ILE MD . . 4.060 2.681 1.997 3.853 . 0 0 "[ . 1]" 1
31 1 7 ILE HA 1 7 ILE HG12 . . 3.690 2.987 2.497 3.608 . 0 0 "[ . 1]" 1
32 1 7 ILE HA 1 7 ILE HG13 . . 3.690 3.398 2.377 3.752 0.062 6 0 "[ . 1]" 1
33 1 7 ILE HA 1 7 ILE MG . . 3.170 2.392 2.360 2.439 . 0 0 "[ . 1]" 1
34 1 7 ILE HA 1 8 ALA H . . 3.140 2.160 2.084 2.234 . 0 0 "[ . 1]" 1
35 1 7 ILE HB 1 7 ILE MD . . 3.440 2.904 2.327 3.240 . 0 0 "[ . 1]" 1
36 1 7 ILE HB 1 8 ALA H . . 4.300 4.359 4.150 4.438 0.138 8 0 "[ . 1]" 1
37 1 7 ILE HB 1 8 ALA HA . . 5.060 4.882 4.741 5.139 0.079 5 0 "[ . 1]" 1
38 1 7 ILE QG 1 7 ILE MG . . 3.290 2.276 2.084 2.335 . 0 0 "[ . 1]" 1
39 1 7 ILE MG 1 8 ALA H . . 3.690 3.126 2.644 3.472 . 0 0 "[ . 1]" 1
40 1 7 ILE MG 1 8 ALA HA . . 4.180 3.775 3.208 4.159 . 0 0 "[ . 1]" 1
41 1 7 ILE MG 1 9 ASP H . . 4.970 3.980 2.294 5.206 0.236 2 0 "[ . 1]" 1
42 1 8 ALA H 1 8 ALA MB . . 2.970 2.445 2.253 2.678 . 0 0 "[ . 1]" 1
43 1 8 ALA HA 1 9 ASP H . . 3.450 2.383 2.116 3.411 . 0 0 "[ . 1]" 1
44 1 8 ALA HA 1 9 ASP QB . . 4.340 4.339 4.017 4.844 0.504 2 1 "[ + . 1]" 1
45 1 8 ALA MB 1 9 ASP H . . 3.720 3.005 1.995 3.620 . 0 0 "[ . 1]" 1
46 1 8 ALA MB 1 9 ASP HA . . 4.360 4.361 4.201 4.558 0.198 5 0 "[ . 1]" 1
47 1 8 ALA MB 1 9 ASP QB . . 4.750 4.419 3.385 4.996 0.246 7 0 "[ . 1]" 1
48 1 9 ASP H 1 9 ASP QB . . 3.430 2.543 2.241 3.032 . 0 0 "[ . 1]" 1
49 1 9 ASP HA 1 10 SER H . . 3.530 2.738 2.154 3.502 . 0 0 "[ . 1]" 1
50 1 9 ASP QB 1 10 SER H . . 4.490 3.366 2.011 3.962 . 0 0 "[ . 1]" 1
51 1 12 LEU HA 1 12 LEU QD . . 2.960 1.972 1.812 2.099 . 0 0 "[ . 1]" 1
52 1 12 LEU QB 1 14 TRP HD1 . . 5.040 5.544 5.078 6.058 1.018 3 5 "[ + *** -1]" 1
53 1 12 LEU QD 1 14 TRP HD1 . . 4.290 4.787 4.090 5.698 1.408 3 4 "[ + .** -1]" 1
54 1 12 LEU QD 1 14 TRP HE1 . . 3.870 4.014 2.991 5.152 1.282 3 3 "[ + .*- 1]" 1
55 1 12 LEU QD 1 14 TRP HH2 . . 4.530 5.548 4.792 6.467 1.937 8 8 "[-** * *+**]" 1
56 1 12 LEU QD 1 14 TRP HZ2 . . 4.110 4.474 3.478 5.350 1.240 3 3 "[ -+ . * 1]" 1
57 1 12 LEU QD 1 15 ASP HA . . 4.660 4.591 4.233 5.040 0.380 2 0 "[ . 1]" 1
58 1 12 LEU QD 1 16 TYR H . . 4.640 3.766 2.782 4.246 . 0 0 "[ . 1]" 1
59 1 13 LEU HA 1 13 LEU QD . . 3.770 2.067 2.001 2.127 . 0 0 "[ . 1]" 1
60 1 13 LEU HA 1 16 TYR H . . 4.190 3.674 3.433 4.031 . 0 0 "[ . 1]" 1
61 1 13 LEU HA 1 16 TYR HB2 . . 4.660 3.885 3.217 4.782 0.122 6 0 "[ . 1]" 1
62 1 13 LEU HA 1 16 TYR HB3 . . 4.630 3.335 2.707 4.518 . 0 0 "[ . 1]" 1
63 1 13 LEU QB 1 17 VAL HB . . 5.340 5.652 5.150 6.137 0.797 3 4 "[ +*. - *]" 1
64 1 13 LEU QB 1 69 ALA MB . . 3.770 3.431 2.559 3.843 0.073 8 0 "[ . 1]" 1
65 1 13 LEU QD 1 16 TYR H . . 4.620 4.480 3.957 4.756 0.136 5 0 "[ . 1]" 1
66 1 13 LEU QD 1 16 TYR HB2 . . 5.190 4.358 3.614 4.883 . 0 0 "[ . 1]" 1
67 1 13 LEU QD 1 16 TYR HB3 . . 4.530 3.266 2.650 4.037 . 0 0 "[ . 1]" 1
68 1 13 LEU QD 1 16 TYR QD . . 4.130 3.769 3.110 4.915 0.785 6 1 "[ .+ 1]" 1
69 1 13 LEU QD 1 17 VAL H . . 4.570 3.913 3.589 4.255 . 0 0 "[ . 1]" 1
70 1 13 LEU QD 1 17 VAL HA . . 4.520 4.690 3.983 5.200 0.680 3 1 "[ + . 1]" 1
71 1 13 LEU QD 1 17 VAL QG . . 2.980 2.421 2.179 2.880 . 0 0 "[ . 1]" 1
72 1 13 LEU QD 1 52 TRP QB . . 4.690 3.591 3.028 4.034 . 0 0 "[ . 1]" 1
73 1 13 LEU QD 1 52 TRP HD1 . . 5.440 4.525 3.920 5.209 . 0 0 "[ . 1]" 1
74 1 13 LEU QD 1 52 TRP HE1 . . 4.330 4.065 3.540 4.919 0.589 8 1 "[ . + 1]" 1
75 1 13 LEU QD 1 52 TRP HH2 . . 5.440 3.712 3.131 4.112 . 0 0 "[ . 1]" 1
76 1 13 LEU QD 1 52 TRP HZ2 . . 4.190 3.748 3.258 4.314 0.124 8 0 "[ . 1]" 1
77 1 13 LEU QD 1 52 TRP HZ3 . . 5.120 3.361 2.752 3.936 . 0 0 "[ . 1]" 1
78 1 13 LEU QD 1 61 MET ME . . 4.660 4.190 3.567 5.025 0.365 2 0 "[ . 1]" 1
79 1 13 LEU QD 1 66 MET HA . . 4.170 3.901 3.071 4.656 0.486 4 0 "[ . 1]" 1
80 1 13 LEU QD 1 66 MET ME . . 3.380 2.574 1.884 2.984 . 0 0 "[ . 1]" 1
81 1 13 LEU QD 1 66 MET QG . . 3.940 2.509 1.805 3.504 . 0 0 "[ . 1]" 1
82 1 13 LEU QD 1 69 ALA H . . 4.580 4.558 4.037 5.226 0.646 8 2 "[ - . + 1]" 1
83 1 13 LEU QD 1 69 ALA HA . . 4.970 4.565 4.095 5.392 0.422 2 0 "[ . 1]" 1
84 1 13 LEU QD 1 69 ALA MB . . 3.280 2.332 1.801 3.024 . 0 0 "[ . 1]" 1
85 1 13 LEU QD 1 70 LEU QD . . 4.500 2.139 1.825 2.617 . 0 0 "[ . 1]" 1
86 1 13 LEU QD 1 73 TYR QE . . 5.310 2.240 1.540 3.727 . 0 0 "[ . 1]" 1
87 1 13 LEU HG 1 17 VAL HB . . 4.780 4.269 3.546 4.988 0.208 3 0 "[ . 1]" 1
88 1 13 LEU HG 1 69 ALA MB . . 5.250 4.880 4.237 5.671 0.421 2 0 "[ . 1]" 1
89 1 15 ASP HA 1 18 TYR HB2 . . 4.420 3.937 3.451 4.885 0.465 8 0 "[ . 1]" 1
90 1 15 ASP HA 1 18 TYR QB . . 3.680 3.135 2.713 4.018 0.338 8 0 "[ . 1]" 1
91 1 15 ASP HA 1 18 TYR HB3 . . 4.420 3.311 2.802 4.274 . 0 0 "[ . 1]" 1
92 1 15 ASP QB 1 16 TYR H . . 3.720 2.495 2.384 2.662 . 0 0 "[ . 1]" 1
93 1 15 ASP QB 1 16 TYR HA . . 4.920 4.155 3.996 4.305 . 0 0 "[ . 1]" 1
94 1 16 TYR H 1 16 TYR HB2 . . 3.230 2.411 2.320 2.598 . 0 0 "[ . 1]" 1
95 1 16 TYR H 1 16 TYR HB3 . . 3.340 2.665 2.482 2.822 . 0 0 "[ . 1]" 1
96 1 16 TYR H 1 16 TYR QD . . 4.660 4.138 4.063 4.208 . 0 0 "[ . 1]" 1
97 1 16 TYR H 1 17 VAL H . . 3.550 2.613 2.521 2.733 . 0 0 "[ . 1]" 1
98 1 16 TYR H 1 17 VAL QG . . 4.370 3.999 3.872 4.124 . 0 0 "[ . 1]" 1
99 1 16 TYR HA 1 16 TYR QD . . 3.930 2.649 2.412 2.841 . 0 0 "[ . 1]" 1
100 1 16 TYR HA 1 16 TYR QE . . 5.010 4.497 4.303 4.622 . 0 0 "[ . 1]" 1
101 1 16 TYR HA 1 19 GLN H . . 3.960 3.570 3.288 3.850 . 0 0 "[ . 1]" 1
102 1 16 TYR HA 1 19 GLN QB . . 4.110 2.875 2.337 3.521 . 0 0 "[ . 1]" 1
103 1 16 TYR HA 1 19 GLN QG . . 5.190 4.103 2.326 4.906 . 0 0 "[ . 1]" 1
104 1 16 TYR HB2 1 16 TYR QE . . 5.010 4.441 4.421 4.462 . 0 0 "[ . 1]" 1
105 1 16 TYR HB2 1 52 TRP HH2 . . 5.470 4.284 3.837 4.585 . 0 0 "[ . 1]" 1
106 1 16 TYR HB3 1 17 VAL H . . 3.890 2.679 2.567 2.841 . 0 0 "[ . 1]" 1
107 1 16 TYR HB3 1 17 VAL MG1 . . 5.500 5.462 5.376 5.541 0.041 1 0 "[ . 1]" 1
108 1 16 TYR HB3 1 17 VAL QG . . 4.410 3.247 3.104 3.403 . 0 0 "[ . 1]" 1
109 1 16 TYR HB3 1 17 VAL MG2 . . 5.500 3.272 3.123 3.435 . 0 0 "[ . 1]" 1
110 1 16 TYR QD 1 17 VAL H . . 4.380 3.958 3.591 4.362 . 0 0 "[ . 1]" 1
111 1 16 TYR QD 1 17 VAL HA . . 4.230 3.792 3.392 4.279 0.049 3 0 "[ . 1]" 1
112 1 16 TYR QD 1 17 VAL MG1 . . 5.220 5.286 4.859 5.763 0.543 6 1 "[ .+ 1]" 1
113 1 16 TYR QD 1 17 VAL QG . . 3.880 3.556 2.992 4.149 0.269 6 0 "[ . 1]" 1
114 1 16 TYR QD 1 17 VAL MG2 . . 5.220 3.618 3.020 4.254 . 0 0 "[ . 1]" 1
115 1 16 TYR QD 1 20 LEU QD . . 4.340 2.839 2.279 3.457 . 0 0 "[ . 1]" 1
116 1 16 TYR QD 1 20 LEU HG . . 5.500 3.963 3.274 5.535 0.035 3 0 "[ . 1]" 1
117 1 16 TYR QD 1 48 LEU QD . . 4.360 3.888 2.979 4.714 0.354 9 0 "[ . 1]" 1
118 1 16 TYR QD 1 52 TRP H . . 5.500 5.290 4.408 6.407 0.907 9 2 "[ - +1]" 1
119 1 16 TYR QD 1 55 HIS HE1 . . 4.350 4.493 3.477 5.787 1.437 5 2 "[ + - 1]" 1
120 1 16 TYR QD 1 66 MET ME . . 5.080 5.040 4.491 5.457 0.377 8 0 "[ . 1]" 1
121 1 16 TYR QE 1 20 LEU MD1 . . 3.970 2.433 2.078 2.888 . 0 0 "[ . 1]" 1
122 1 16 TYR QE 1 20 LEU QD . . 3.400 2.315 2.038 2.597 . 0 0 "[ . 1]" 1
123 1 16 TYR QE 1 20 LEU MD2 . . 3.970 3.230 2.427 3.991 0.021 9 0 "[ . 1]" 1
124 1 16 TYR QE 1 20 LEU HG . . 5.090 4.054 3.651 4.773 . 0 0 "[ . 1]" 1
125 1 16 TYR QE 1 48 LEU QD . . 3.870 3.912 3.019 4.514 0.644 1 3 "[+ * - 1]" 1
126 1 16 TYR QE 1 51 LEU QB . . 4.700 2.641 1.747 3.779 . 0 0 "[ . 1]" 1
127 1 16 TYR QE 1 51 LEU QD . . 5.430 3.424 2.616 4.327 . 0 0 "[ . 1]" 1
128 1 16 TYR QE 1 52 TRP H . . 4.420 4.087 3.236 4.923 0.503 5 1 "[ + 1]" 1
129 1 16 TYR QE 1 52 TRP HA . . 3.950 3.703 3.269 4.141 0.191 2 0 "[ . 1]" 1
130 1 16 TYR QE 1 52 TRP QB . . 5.460 4.032 3.170 4.834 . 0 0 "[ . 1]" 1
131 1 16 TYR QE 1 55 HIS QB . . 4.240 3.524 3.020 4.334 0.094 5 0 "[ . 1]" 1
132 1 16 TYR QE 1 55 HIS HE1 . . 4.500 4.013 2.749 5.923 1.423 2 2 "[ + .- 1]" 1
133 1 16 TYR QE 1 66 MET ME . . 5.240 5.487 4.891 6.416 1.176 6 3 "[- .+ * 1]" 1
134 1 17 VAL H 1 17 VAL HB . . 3.450 2.506 2.473 2.551 . 0 0 "[ . 1]" 1
135 1 17 VAL H 1 17 VAL MG1 . . 3.940 3.773 3.766 3.780 . 0 0 "[ . 1]" 1
136 1 17 VAL H 1 17 VAL QG . . 3.020 2.152 2.101 2.219 . 0 0 "[ . 1]" 1
137 1 17 VAL H 1 17 VAL MG2 . . 3.940 2.165 2.111 2.235 . 0 0 "[ . 1]" 1
138 1 17 VAL H 1 18 TYR H . . 3.960 2.703 2.588 2.884 . 0 0 "[ . 1]" 1
139 1 17 VAL HA 1 17 VAL MG1 . . 3.240 2.446 2.418 2.481 . 0 0 "[ . 1]" 1
140 1 17 VAL HA 1 17 VAL MG2 . . 3.240 2.344 2.317 2.379 . 0 0 "[ . 1]" 1
141 1 17 VAL HA 1 20 LEU H . . 4.040 3.490 3.263 3.706 . 0 0 "[ . 1]" 1
142 1 17 VAL HA 1 20 LEU QB . . 4.050 3.018 2.821 3.266 . 0 0 "[ . 1]" 1
143 1 17 VAL HA 1 20 LEU MD1 . . 4.940 2.852 2.482 4.059 . 0 0 "[ . 1]" 1
144 1 17 VAL HA 1 20 LEU QD . . 3.620 2.781 2.472 3.503 . 0 0 "[ . 1]" 1
145 1 17 VAL HA 1 20 LEU MD2 . . 4.940 4.632 3.828 5.020 0.080 8 0 "[ . 1]" 1
146 1 17 VAL HA 1 20 LEU HG . . 3.960 3.568 2.812 5.994 2.034 3 1 "[ + . 1]" 1
147 1 17 VAL HA 1 21 LEU H . . 5.010 4.224 4.131 4.309 . 0 0 "[ . 1]" 1
148 1 17 VAL HA 1 30 ILE MD . . 3.910 4.159 3.226 4.759 0.849 5 3 "[ -+ *1]" 1
149 1 17 VAL HB 1 18 TYR H . . 4.300 2.651 2.393 2.945 . 0 0 "[ . 1]" 1
150 1 17 VAL HB 1 18 TYR HA . . 5.500 4.306 4.220 4.379 . 0 0 "[ . 1]" 1
151 1 17 VAL QG 1 18 TYR HA . . 3.860 3.288 3.043 3.506 . 0 0 "[ . 1]" 1
152 1 17 VAL QG 1 18 TYR QB . . 4.300 3.991 3.725 4.285 . 0 0 "[ . 1]" 1
153 1 17 VAL QG 1 20 LEU QD . . 3.370 3.243 2.818 3.944 0.574 3 1 "[ + . 1]" 1
154 1 17 VAL QG 1 21 LEU H . . 4.730 3.814 3.488 4.104 . 0 0 "[ . 1]" 1
155 1 17 VAL QG 1 21 LEU QD . . 3.130 2.166 1.976 2.266 . 0 0 "[ . 1]" 1
156 1 17 VAL QG 1 40 PHE HD2 . . 4.170 4.359 3.677 5.006 0.836 5 3 "[ + - *1]" 1
157 1 17 VAL QG 1 40 PHE HE2 . . 3.730 3.681 2.951 4.382 0.652 5 2 "[ + -1]" 1
158 1 17 VAL QG 1 40 PHE HZ . . 5.440 3.993 3.016 4.974 . 0 0 "[ . 1]" 1
159 1 17 VAL QG 1 48 LEU QD . . 4.080 2.690 2.304 3.294 . 0 0 "[ . 1]" 1
160 1 17 VAL MG1 1 18 TYR H . . 4.140 3.376 3.179 3.589 . 0 0 "[ . 1]" 1
161 1 17 VAL MG2 1 18 TYR H . . 4.140 3.892 3.745 4.014 . 0 0 "[ . 1]" 1
162 1 18 TYR H 1 18 TYR HB2 . . 3.740 2.533 2.499 2.585 . 0 0 "[ . 1]" 1
163 1 18 TYR H 1 18 TYR HB3 . . 3.740 2.591 2.503 2.674 . 0 0 "[ . 1]" 1
164 1 18 TYR H 1 18 TYR HD1 . . 5.440 4.631 4.565 4.701 . 0 0 "[ . 1]" 1
165 1 18 TYR H 1 18 TYR HD2 . . 5.160 4.832 4.739 4.934 . 0 0 "[ . 1]" 1
166 1 18 TYR H 1 19 GLN H . . 4.230 2.646 2.563 2.795 . 0 0 "[ . 1]" 1
167 1 18 TYR HA 1 18 TYR HD1 . . 3.620 2.632 2.349 2.854 . 0 0 "[ . 1]" 1
168 1 18 TYR HA 1 21 LEU H . . 4.090 3.200 3.078 3.397 . 0 0 "[ . 1]" 1
169 1 18 TYR HA 1 21 LEU HB2 . . 3.640 2.222 2.028 2.412 . 0 0 "[ . 1]" 1
170 1 18 TYR HA 1 21 LEU QD . . 3.380 2.243 2.036 2.434 . 0 0 "[ . 1]" 1
171 1 18 TYR HA 1 21 LEU HG . . 5.190 3.302 2.979 3.813 . 0 0 "[ . 1]" 1
172 1 18 TYR HA 1 22 SER H . . 5.390 4.175 3.976 4.512 . 0 0 "[ . 1]" 1
173 1 18 TYR QB 1 18 TYR HE2 . . 4.510 4.373 4.351 4.404 . 0 0 "[ . 1]" 1
174 1 18 TYR HE1 1 32 TRP HE1 . . 4.990 4.895 3.769 5.866 0.876 5 3 "[ * + -]" 1
175 1 18 TYR HE1 1 32 TRP HH2 . . 4.230 3.847 3.180 5.024 0.794 3 2 "[ + . -1]" 1
176 1 18 TYR HE1 1 32 TRP HZ2 . . 3.860 2.851 1.873 3.901 0.041 3 0 "[ . 1]" 1
177 1 19 GLN H 1 19 GLN QB . . 3.890 2.259 2.128 2.501 . 0 0 "[ . 1]" 1
178 1 19 GLN H 1 19 GLN QG . . 3.640 3.554 2.215 4.046 0.406 6 0 "[ . 1]" 1
179 1 19 GLN H 1 20 LEU H . . 3.890 2.706 2.565 2.788 . 0 0 "[ . 1]" 1
180 1 19 GLN H 1 21 LEU H . . 4.610 3.947 3.827 4.084 . 0 0 "[ . 1]" 1
181 1 19 GLN HA 1 19 GLN HE21 . . 5.140 4.291 2.659 4.892 . 0 0 "[ . 1]" 1
182 1 19 GLN HA 1 19 GLN QE . . 4.300 3.990 2.547 4.675 0.375 8 0 "[ . 1]" 1
183 1 19 GLN HA 1 19 GLN HE22 . . 5.140 4.876 3.259 5.942 0.802 8 2 "[- . + 1]" 1
184 1 19 GLN HA 1 19 GLN QG . . 3.350 2.579 2.336 3.041 . 0 0 "[ . 1]" 1
185 1 19 GLN HA 1 21 LEU H . . 5.500 4.350 4.194 4.551 . 0 0 "[ . 1]" 1
186 1 19 GLN HA 1 22 SER H . . 4.220 3.459 3.243 3.670 . 0 0 "[ . 1]" 1
187 1 19 GLN QB 1 20 LEU H . . 4.260 2.490 2.327 2.702 . 0 0 "[ . 1]" 1
188 1 19 GLN HE22 1 19 GLN QG . . 3.530 3.272 3.213 3.310 . 0 0 "[ . 1]" 1
189 1 19 GLN QG 1 20 LEU H . . 4.440 4.021 3.618 4.541 0.101 4 0 "[ . 1]" 1
190 1 20 LEU H 1 20 LEU QB . . 3.460 2.449 2.162 2.610 . 0 0 "[ . 1]" 1
191 1 20 LEU H 1 20 LEU MD1 . . 4.080 3.510 2.425 3.727 . 0 0 "[ . 1]" 1
192 1 20 LEU H 1 20 LEU MD2 . . 4.080 3.243 2.772 3.884 . 0 0 "[ . 1]" 1
193 1 20 LEU H 1 20 LEU HG . . 3.890 2.407 1.991 4.104 0.214 3 0 "[ . 1]" 1
194 1 20 LEU H 1 21 LEU H . . 3.470 2.564 2.499 2.675 . 0 0 "[ . 1]" 1
195 1 20 LEU H 1 22 SER H . . 4.620 3.973 3.817 4.140 . 0 0 "[ . 1]" 1
196 1 20 LEU H 1 30 ILE MD . . 5.250 5.746 5.063 6.294 1.044 5 5 "[* *+ *-]" 1
197 1 20 LEU H 1 30 ILE MG . . 4.610 5.005 4.675 5.339 0.729 5 3 "[- + *]" 1
198 1 20 LEU HA 1 20 LEU MD1 . . 4.300 3.704 2.307 3.878 . 0 0 "[ . 1]" 1
199 1 20 LEU HA 1 20 LEU QD . . 3.240 2.061 1.959 2.288 . 0 0 "[ . 1]" 1
200 1 20 LEU HA 1 20 LEU MD2 . . 4.300 2.217 1.965 3.775 . 0 0 "[ . 1]" 1
201 1 20 LEU HA 1 23 ASP H . . 3.740 3.446 3.176 3.740 . 0 0 "[ . 1]" 1
202 1 20 LEU QB 1 21 LEU H . . 3.630 2.652 2.409 2.862 . 0 0 "[ . 1]" 1
203 1 20 LEU QB 1 23 ASP H . . 5.340 4.899 4.726 5.176 . 0 0 "[ . 1]" 1
204 1 20 LEU QB 1 30 ILE MD . . 4.510 3.731 3.069 4.345 . 0 0 "[ . 1]" 1
205 1 20 LEU QB 1 30 ILE MG . . 3.350 2.537 2.194 2.938 . 0 0 "[ . 1]" 1
206 1 20 LEU QD 1 21 LEU H . . 4.550 4.075 3.919 4.184 . 0 0 "[ . 1]" 1
207 1 20 LEU QD 1 23 ASP H . . 5.290 4.792 4.617 5.037 . 0 0 "[ . 1]" 1
208 1 20 LEU QD 1 23 ASP QB . . 5.440 4.582 4.055 5.417 . 0 0 "[ . 1]" 1
209 1 20 LEU QD 1 26 TYR QE . . 3.790 4.128 3.295 5.477 1.687 3 3 "[ + .* -]" 1
210 1 20 LEU QD 1 29 PHE H . . 5.070 5.030 4.433 5.278 0.208 10 0 "[ . 1]" 1
211 1 20 LEU QD 1 29 PHE QB . . 5.180 3.876 3.270 4.402 . 0 0 "[ . 1]" 1
212 1 20 LEU QD 1 30 ILE H . . 5.440 4.939 4.229 5.369 . 0 0 "[ . 1]" 1
213 1 20 LEU QD 1 30 ILE MD . . 3.870 3.940 3.450 4.555 0.685 9 2 "[- . +1]" 1
214 1 20 LEU QD 1 30 ILE MG . . 3.160 2.807 2.222 3.309 0.149 9 0 "[ . 1]" 1
215 1 20 LEU QD 1 48 LEU QD . . 2.680 2.280 1.928 2.593 . 0 0 "[ . 1]" 1
216 1 20 LEU QD 1 51 LEU QB . . 4.130 3.003 2.544 3.417 . 0 0 "[ . 1]" 1
217 1 20 LEU QD 1 51 LEU QD . . 3.270 2.227 1.903 2.684 . 0 0 "[ . 1]" 1
218 1 20 LEU QD 1 66 MET ME . . 4.630 4.895 4.590 5.268 0.638 3 2 "[ + . -1]" 1
219 1 20 LEU MD1 1 51 LEU QB . . 4.740 3.242 2.643 3.874 . 0 0 "[ . 1]" 1
220 1 20 LEU MD2 1 51 LEU QB . . 4.740 3.732 3.013 4.559 . 0 0 "[ . 1]" 1
221 1 21 LEU H 1 21 LEU HB2 . . 3.160 2.365 2.245 2.450 . 0 0 "[ . 1]" 1
222 1 21 LEU H 1 21 LEU HB3 . . 3.750 3.570 3.528 3.589 . 0 0 "[ . 1]" 1
223 1 21 LEU H 1 21 LEU QD . . 3.390 3.205 3.115 3.332 . 0 0 "[ . 1]" 1
224 1 21 LEU H 1 21 LEU HG . . 3.880 2.528 2.338 2.798 . 0 0 "[ . 1]" 1
225 1 21 LEU H 1 22 SER H . . 3.410 2.587 2.506 2.700 . 0 0 "[ . 1]" 1
226 1 21 LEU H 1 30 ILE MD . . 4.550 4.691 4.051 5.210 0.660 5 2 "[ -+ 1]" 1
227 1 21 LEU H 1 30 ILE MG . . 4.000 4.209 3.957 4.494 0.494 3 0 "[ . 1]" 1
228 1 21 LEU HA 1 21 LEU QD . . 2.920 1.940 1.897 2.001 . 0 0 "[ . 1]" 1
229 1 21 LEU HA 1 21 LEU HG . . 3.820 2.961 2.791 3.077 . 0 0 "[ . 1]" 1
230 1 21 LEU HA 1 30 ILE MD . . 4.760 4.550 3.957 5.108 0.348 4 0 "[ . 1]" 1
231 1 21 LEU HA 1 30 ILE MG . . 3.530 3.653 2.923 4.178 0.648 3 3 "[ -+ * 1]" 1
232 1 21 LEU HA 1 31 ARG HA . . 4.210 3.635 2.515 4.494 0.284 10 0 "[ . 1]" 1
233 1 21 LEU HA 1 32 TRP H . . 5.500 4.810 3.816 5.396 . 0 0 "[ . 1]" 1
234 1 21 LEU HA 1 32 TRP HE1 . . 4.660 3.768 3.050 4.602 . 0 0 "[ . 1]" 1
235 1 21 LEU HB2 1 22 SER H . . 3.900 2.960 2.753 3.128 . 0 0 "[ . 1]" 1
236 1 21 LEU HB2 1 32 TRP HZ2 . . 4.510 3.507 3.154 3.953 . 0 0 "[ . 1]" 1
237 1 21 LEU HB3 1 21 LEU QD . . 3.050 2.112 2.106 2.119 . 0 0 "[ . 1]" 1
238 1 21 LEU HB3 1 22 SER H . . 4.150 3.762 3.384 3.910 . 0 0 "[ . 1]" 1
239 1 21 LEU HB3 1 32 TRP H . . 5.500 5.116 4.119 6.018 0.518 10 1 "[ . +]" 1
240 1 21 LEU HB3 1 32 TRP HD1 . . 4.370 3.861 3.333 4.462 0.092 5 0 "[ . 1]" 1
241 1 21 LEU HB3 1 32 TRP HE1 . . 3.530 2.140 1.790 2.401 . 0 0 "[ . 1]" 1
242 1 21 LEU HB3 1 32 TRP HZ2 . . 4.450 2.911 2.213 3.664 . 0 0 "[ . 1]" 1
243 1 21 LEU QD 1 22 SER H . . 4.380 4.240 4.140 4.316 . 0 0 "[ . 1]" 1
244 1 21 LEU QD 1 30 ILE H . . 5.380 4.998 4.498 5.387 0.007 10 0 "[ . 1]" 1
245 1 21 LEU QD 1 30 ILE HA . . 4.410 4.449 4.168 4.885 0.475 10 0 "[ . 1]" 1
246 1 21 LEU QD 1 30 ILE HB . . 4.660 4.304 4.103 4.687 0.027 3 0 "[ . 1]" 1
247 1 21 LEU QD 1 30 ILE MD . . 3.520 2.193 1.958 2.470 . 0 0 "[ . 1]" 1
248 1 21 LEU QD 1 30 ILE QG . . 3.650 2.000 1.834 2.336 . 0 0 "[ . 1]" 1
249 1 21 LEU QD 1 30 ILE MG . . 3.230 2.746 2.370 3.340 0.110 3 0 "[ . 1]" 1
250 1 21 LEU QD 1 31 ARG H . . 3.500 3.750 3.422 4.133 0.633 10 3 "[ - * +]" 1
251 1 21 LEU QD 1 31 ARG HA . . 3.190 2.749 1.956 3.377 0.187 10 0 "[ . 1]" 1
252 1 21 LEU QD 1 31 ARG QB . . 3.940 4.123 3.498 4.678 0.738 10 2 "[ .- +]" 1
253 1 21 LEU QD 1 31 ARG QD . . 4.440 5.198 4.479 6.055 1.615 8 6 "[ -**+**]" 1
254 1 21 LEU QD 1 31 ARG HE . . 4.780 6.725 5.831 7.491 2.711 6 10 [****-+****] 1
255 1 21 LEU QD 1 31 ARG QG . . 4.410 4.809 4.360 5.213 0.803 10 4 "[ * - * +]" 1
256 1 21 LEU QD 1 32 TRP H . . 3.220 3.518 3.016 3.943 0.723 10 3 "[ - * +]" 1
257 1 21 LEU QD 1 32 TRP HB2 . . 4.550 4.654 4.404 5.194 0.644 5 1 "[ + 1]" 1
258 1 21 LEU QD 1 32 TRP HD1 . . 4.390 3.651 3.297 3.999 . 0 0 "[ . 1]" 1
259 1 21 LEU QD 1 32 TRP HE1 . . 3.850 3.152 2.884 3.525 . 0 0 "[ . 1]" 1
260 1 21 LEU QD 1 32 TRP HH2 . . 4.520 3.219 2.988 3.509 . 0 0 "[ . 1]" 1
261 1 21 LEU QD 1 32 TRP HZ2 . . 3.970 2.675 2.475 2.986 . 0 0 "[ . 1]" 1
262 1 21 LEU QD 1 33 GLU H . . 4.780 5.142 4.660 5.764 0.984 5 3 "[ + * -]" 1
263 1 21 LEU QD 1 40 PHE HA . . 4.340 4.134 3.535 4.728 0.388 5 0 "[ . 1]" 1
264 1 21 LEU QD 1 40 PHE QB . . 3.080 2.340 1.970 2.802 . 0 0 "[ . 1]" 1
265 1 21 LEU QD 1 40 PHE HD2 . . 4.020 3.059 2.658 3.569 . 0 0 "[ . 1]" 1
266 1 21 LEU QD 1 41 ARG H . . 4.120 4.186 3.652 4.866 0.746 5 1 "[ + 1]" 1
267 1 21 LEU QD 1 43 VAL QG . . 4.850 5.331 4.922 5.874 1.024 10 4 "[ * * - +]" 1
268 1 21 LEU HG 1 22 SER H . . 5.500 4.620 4.463 4.796 . 0 0 "[ . 1]" 1
269 1 21 LEU HG 1 30 ILE MD . . 4.060 3.021 2.416 3.499 . 0 0 "[ . 1]" 1
270 1 21 LEU HG 1 31 ARG HA . . 4.640 5.379 4.413 6.116 1.476 10 7 "[ - *****+]" 1
271 1 22 SER H 1 22 SER QB . . 3.140 2.339 2.245 2.469 . 0 0 "[ . 1]" 1
272 1 22 SER H 1 30 ILE MD . . 5.500 6.693 6.097 7.225 1.725 4 10 [***+***-**] 1
273 1 22 SER HA 1 32 TRP HE1 . . 5.100 3.671 2.674 4.459 . 0 0 "[ . 1]" 1
274 1 22 SER QB 1 23 ASP H . . 3.520 2.581 2.442 2.893 . 0 0 "[ . 1]" 1
275 1 22 SER QB 1 32 TRP HE1 . . 5.500 5.034 3.750 5.752 0.252 10 0 "[ . 1]" 1
276 1 23 ASP H 1 23 ASP QB . . 3.080 2.559 2.297 2.835 . 0 0 "[ . 1]" 1
277 1 23 ASP H 1 24 SER H . . 4.090 3.383 3.211 3.751 . 0 0 "[ . 1]" 1
278 1 23 ASP H 1 26 TYR QE . . 5.130 5.108 4.513 6.061 0.931 6 1 "[ .+ 1]" 1
279 1 23 ASP HA 1 24 SER H . . 2.930 2.404 2.198 2.526 . 0 0 "[ . 1]" 1
280 1 23 ASP HA 1 24 SER HA . . 4.500 4.521 4.437 4.581 0.081 4 0 "[ . 1]" 1
281 1 23 ASP HA 1 24 SER QB . . 4.930 4.746 4.434 4.908 . 0 0 "[ . 1]" 1
282 1 23 ASP HA 1 25 ARG H . . 3.870 3.121 2.895 3.292 . 0 0 "[ . 1]" 1
283 1 23 ASP QB 1 24 SER H . . 4.240 3.940 3.891 4.011 . 0 0 "[ . 1]" 1
284 1 23 ASP QB 1 25 ARG H . . 4.470 4.006 3.464 4.432 . 0 0 "[ . 1]" 1
285 1 23 ASP QB 1 26 TYR QD . . 3.980 3.626 2.462 4.242 0.262 8 0 "[ . 1]" 1
286 1 23 ASP QB 1 26 TYR QE . . 3.690 2.561 1.765 3.235 . 0 0 "[ . 1]" 1
287 1 24 SER H 1 24 SER QB . . 3.250 2.654 2.285 2.935 . 0 0 "[ . 1]" 1
288 1 24 SER H 1 25 ARG QB . . 5.340 4.303 4.068 4.611 . 0 0 "[ . 1]" 1
289 1 24 SER H 1 25 ARG QG . . 5.500 4.202 3.711 5.298 . 0 0 "[ . 1]" 1
290 1 24 SER H 1 26 TYR H . . 4.670 4.882 4.633 5.218 0.548 6 1 "[ .+ 1]" 1
291 1 24 SER HA 1 24 SER QB . . 2.760 2.252 2.166 2.403 . 0 0 "[ . 1]" 1
292 1 24 SER HA 1 26 TYR H . . 3.680 3.867 3.586 4.168 0.488 3 0 "[ . 1]" 1
293 1 24 SER HA 1 27 GLU H . . 3.790 3.433 3.163 3.690 . 0 0 "[ . 1]" 1
294 1 24 SER HA 1 27 GLU QB . . 4.390 3.228 2.467 4.911 0.521 8 1 "[ . + 1]" 1
295 1 24 SER HA 1 27 GLU QG . . 3.370 3.589 2.474 4.510 1.140 6 5 "[ **.+* -]" 1
296 1 24 SER HA 1 28 ASN H . . 3.940 3.515 3.190 3.895 . 0 0 "[ . 1]" 1
297 1 24 SER QB 1 27 GLU H . . 4.960 4.565 4.086 4.908 . 0 0 "[ . 1]" 1
298 1 24 SER QB 1 27 GLU QB . . 5.340 4.129 3.196 5.476 0.136 5 0 "[ . 1]" 1
299 1 24 SER QB 1 27 GLU QG . . 4.500 4.768 3.538 5.595 1.095 7 5 "[ **.*+ -]" 1
300 1 25 ARG H 1 25 ARG HB2 . . 4.110 3.590 3.565 3.628 . 0 0 "[ . 1]" 1
301 1 25 ARG H 1 25 ARG QB . . 3.450 2.514 2.408 2.624 . 0 0 "[ . 1]" 1
302 1 25 ARG H 1 25 ARG HB3 . . 4.110 2.568 2.448 2.695 . 0 0 "[ . 1]" 1
303 1 25 ARG H 1 25 ARG HD2 . . 4.900 3.829 2.057 4.691 . 0 0 "[ . 1]" 1
304 1 25 ARG H 1 25 ARG QD . . 4.060 3.423 1.765 4.189 0.129 8 0 "[ . 1]" 1
305 1 25 ARG H 1 25 ARG HD3 . . 4.900 4.045 1.794 4.713 . 0 0 "[ . 1]" 1
306 1 25 ARG H 1 25 ARG QG . . 2.720 2.193 1.983 3.016 0.296 4 0 "[ . 1]" 1
307 1 25 ARG H 1 26 TYR H . . 3.050 2.816 2.648 2.949 . 0 0 "[ . 1]" 1
308 1 25 ARG H 1 26 TYR HB3 . . 5.360 5.277 4.959 5.563 0.203 7 0 "[ . 1]" 1
309 1 25 ARG H 1 26 TYR QD . . 4.330 3.763 3.427 4.227 . 0 0 "[ . 1]" 1
310 1 25 ARG H 1 26 TYR QE . . 5.230 4.882 4.472 5.108 . 0 0 "[ . 1]" 1
311 1 25 ARG H 1 27 GLU H . . 4.130 4.194 3.971 4.545 0.415 8 0 "[ . 1]" 1
312 1 25 ARG HA 1 25 ARG QG . . 3.570 3.369 3.339 3.460 . 0 0 "[ . 1]" 1
313 1 25 ARG HA 1 26 TYR H . . 3.520 3.529 3.474 3.584 0.064 6 0 "[ . 1]" 1
314 1 25 ARG HA 1 27 GLU H . . 4.800 4.566 4.145 5.045 0.245 6 0 "[ . 1]" 1
315 1 25 ARG QB 1 25 ARG QD . . 3.330 2.336 2.158 2.583 . 0 0 "[ . 1]" 1
316 1 25 ARG QB 1 26 TYR H . . 4.020 3.565 3.474 3.727 . 0 0 "[ . 1]" 1
317 1 25 ARG QB 1 26 TYR QD . . 5.340 4.352 3.864 4.608 . 0 0 "[ . 1]" 1
318 1 25 ARG QD 1 26 TYR H . . 4.210 3.926 2.436 4.588 0.378 8 0 "[ . 1]" 1
319 1 25 ARG QD 1 26 TYR QD . . 4.420 3.503 2.682 4.204 . 0 0 "[ . 1]" 1
320 1 25 ARG QD 1 26 TYR QE . . 5.160 4.784 3.745 5.900 0.740 8 1 "[ . + 1]" 1
321 1 25 ARG QG 1 26 TYR H . . 3.430 2.351 2.124 2.645 . 0 0 "[ . 1]" 1
322 1 25 ARG QG 1 26 TYR QD . . 4.310 2.382 1.834 2.683 . 0 0 "[ . 1]" 1
323 1 25 ARG QG 1 26 TYR QE . . 4.750 4.112 3.218 4.538 . 0 0 "[ . 1]" 1
324 1 25 ARG QG 1 27 GLU H . . 4.660 4.305 4.132 4.609 . 0 0 "[ . 1]" 1
325 1 26 TYR H 1 26 TYR HB2 . . 4.160 3.726 3.671 3.760 . 0 0 "[ . 1]" 1
326 1 26 TYR H 1 26 TYR HB3 . . 3.370 2.876 2.677 3.024 . 0 0 "[ . 1]" 1
327 1 26 TYR H 1 26 TYR QD . . 3.150 2.132 1.755 2.510 . 0 0 "[ . 1]" 1
328 1 26 TYR H 1 26 TYR QE . . 4.500 3.985 3.853 4.206 . 0 0 "[ . 1]" 1
329 1 26 TYR H 1 27 GLU H . . 3.020 2.204 2.130 2.296 . 0 0 "[ . 1]" 1
330 1 26 TYR H 1 27 GLU QG . . 4.220 3.938 3.321 4.766 0.546 6 1 "[ .+ 1]" 1
331 1 26 TYR HA 1 26 TYR QD . . 4.170 3.740 3.726 3.760 . 0 0 "[ . 1]" 1
332 1 26 TYR HB2 1 27 GLU H . . 4.010 4.111 3.867 4.345 0.335 1 0 "[ . 1]" 1
333 1 26 TYR HB3 1 27 GLU H . . 4.440 4.187 4.060 4.322 . 0 0 "[ . 1]" 1
334 1 26 TYR QD 1 27 GLU H . . 4.530 3.358 3.104 3.634 . 0 0 "[ . 1]" 1
335 1 26 TYR QD 1 51 LEU QD . . 3.590 5.259 4.403 5.579 1.989 9 10 [*******-+*] 1
336 1 26 TYR QE 1 51 LEU QD . . 3.160 4.363 3.316 4.960 1.800 9 9 "[****-** +*]" 1
337 1 27 GLU H 1 27 GLU HB2 . . 3.750 2.705 2.323 3.701 . 0 0 "[ . 1]" 1
338 1 27 GLU H 1 27 GLU HB3 . . 3.750 3.489 2.793 3.656 . 0 0 "[ . 1]" 1
339 1 27 GLU H 1 27 GLU QG . . 3.120 2.595 1.819 3.006 . 0 0 "[ . 1]" 1
340 1 27 GLU H 1 28 ASN H . . 3.280 2.477 2.268 2.770 . 0 0 "[ . 1]" 1
341 1 27 GLU H 1 51 LEU QD . . 5.440 5.654 4.612 5.985 0.545 5 2 "[ - + 1]" 1
342 1 27 GLU QB 1 28 ASN H . . 3.630 2.487 2.173 3.453 . 0 0 "[ . 1]" 1
343 1 27 GLU QB 1 29 PHE H . . 4.380 2.494 2.275 3.120 . 0 0 "[ . 1]" 1
344 1 27 GLU HB2 1 29 PHE QD . . 4.350 3.272 1.869 3.896 . 0 0 "[ . 1]" 1
345 1 27 GLU HB3 1 29 PHE QD . . 4.350 2.229 1.804 3.432 . 0 0 "[ . 1]" 1
346 1 27 GLU QG 1 28 ASN H . . 4.400 3.688 2.059 4.230 . 0 0 "[ . 1]" 1
347 1 28 ASN H 1 28 ASN QB . . 3.290 3.274 2.886 3.428 0.138 5 0 "[ . 1]" 1
348 1 28 ASN H 1 28 ASN QD . . 4.290 3.270 2.077 5.234 0.944 10 1 "[ . +]" 1
349 1 28 ASN H 1 30 ILE MG . . 4.920 5.045 4.657 5.510 0.590 4 2 "[ - +. 1]" 1
350 1 28 ASN HA 1 29 PHE H . . 3.400 3.071 3.000 3.112 . 0 0 "[ . 1]" 1
351 1 28 ASN HA 1 30 ILE H . . 3.660 3.579 3.285 4.168 0.508 5 1 "[ + 1]" 1
352 1 28 ASN HA 1 43 VAL QG . . 3.750 3.922 3.439 4.402 0.652 6 1 "[ .+ 1]" 1
353 1 28 ASN QB 1 28 ASN QD . . 3.100 2.524 2.115 2.706 . 0 0 "[ . 1]" 1
354 1 28 ASN QB 1 43 VAL HB . . 4.510 4.723 4.156 5.394 0.884 10 2 "[ .- +]" 1
355 1 28 ASN QB 1 43 VAL QG . . 4.070 3.546 3.190 4.310 0.240 10 0 "[ . 1]" 1
356 1 28 ASN HB2 1 29 PHE H . . 4.630 4.025 3.936 4.442 . 0 0 "[ . 1]" 1
357 1 28 ASN HB2 1 43 VAL QG . . 4.930 4.661 4.408 5.255 0.325 10 0 "[ . 1]" 1
358 1 28 ASN HB3 1 29 PHE H . . 4.630 4.348 3.925 4.496 . 0 0 "[ . 1]" 1
359 1 28 ASN HB3 1 43 VAL QG . . 4.930 3.684 3.264 4.579 . 0 0 "[ . 1]" 1
360 1 28 ASN QD 1 43 VAL QG . . 5.500 4.522 3.646 5.307 . 0 0 "[ . 1]" 1
361 1 29 PHE H 1 29 PHE QB . . 3.470 2.449 2.405 2.499 . 0 0 "[ . 1]" 1
362 1 29 PHE H 1 29 PHE QD . . 4.280 3.118 2.939 3.299 . 0 0 "[ . 1]" 1
363 1 29 PHE H 1 30 ILE HA . . 4.840 4.906 4.698 5.032 0.192 8 0 "[ . 1]" 1
364 1 29 PHE H 1 30 ILE HB . . 5.050 5.235 4.964 5.424 0.374 4 0 "[ . 1]" 1
365 1 29 PHE H 1 30 ILE MG . . 3.670 3.700 3.444 3.951 0.281 4 0 "[ . 1]" 1
366 1 29 PHE H 1 43 VAL HB . . 4.180 4.714 4.442 4.956 0.776 10 5 "[* * -* +]" 1
367 1 29 PHE H 1 43 VAL QG . . 5.030 4.527 4.174 4.700 . 0 0 "[ . 1]" 1
368 1 29 PHE H 1 48 LEU QD . . 5.440 5.301 4.480 6.385 0.945 10 1 "[ . +]" 1
369 1 29 PHE HA 1 29 PHE QD . . 4.250 2.357 2.119 2.493 . 0 0 "[ . 1]" 1
370 1 29 PHE HA 1 30 ILE H . . 3.520 3.414 3.279 3.516 . 0 0 "[ . 1]" 1
371 1 29 PHE HA 1 30 ILE MG . . 4.900 4.653 4.544 4.810 . 0 0 "[ . 1]" 1
372 1 29 PHE HA 1 42 ILE MG . . 4.360 5.193 4.938 5.737 1.377 6 10 [***-*+****] 1
373 1 29 PHE HA 1 43 VAL H . . 4.110 4.116 3.874 4.477 0.367 6 0 "[ . 1]" 1
374 1 29 PHE HA 1 43 VAL HA . . 4.900 5.416 5.195 5.544 0.644 10 6 "[** **- +]" 1
375 1 29 PHE HA 1 43 VAL HB . . 4.010 2.646 2.271 2.913 . 0 0 "[ . 1]" 1
376 1 29 PHE HA 1 43 VAL QG . . 3.530 3.372 3.079 3.617 0.087 5 0 "[ . 1]" 1
377 1 29 PHE HA 1 44 ASP H . . 3.200 2.930 2.547 3.186 . 0 0 "[ . 1]" 1
378 1 29 PHE HA 1 44 ASP HA . . 4.480 4.898 4.509 5.195 0.715 8 4 "[ - .* + *]" 1
379 1 29 PHE HA 1 44 ASP QB . . 3.680 2.619 2.269 3.017 . 0 0 "[ . 1]" 1
380 1 29 PHE QB 1 30 ILE H . . 3.630 2.887 2.471 3.306 . 0 0 "[ . 1]" 1
381 1 29 PHE QB 1 30 ILE HB . . 4.740 3.742 3.648 3.855 . 0 0 "[ . 1]" 1
382 1 29 PHE QB 1 30 ILE MG . . 3.580 2.818 2.634 3.263 . 0 0 "[ . 1]" 1
383 1 29 PHE QB 1 42 ILE MG . . 3.630 4.407 3.987 4.644 1.014 6 9 "[*****+* *-]" 1
384 1 29 PHE QB 1 43 VAL H . . 5.240 4.509 4.278 4.649 . 0 0 "[ . 1]" 1
385 1 29 PHE QB 1 45 PRO HA . . 5.230 5.238 4.604 5.703 0.473 2 0 "[ . 1]" 1
386 1 29 PHE QB 1 48 LEU H . . 4.830 3.099 2.804 3.477 . 0 0 "[ . 1]" 1
387 1 29 PHE QB 1 48 LEU QB . . 4.620 2.914 2.407 3.585 . 0 0 "[ . 1]" 1
388 1 29 PHE QB 1 48 LEU QD . . 3.360 3.236 2.521 4.053 0.693 10 1 "[ . +]" 1
389 1 29 PHE QB 1 48 LEU HG . . 4.960 5.099 3.915 5.663 0.703 3 2 "[ -+ . 1]" 1
390 1 29 PHE QB 1 51 LEU QD . . 4.350 3.306 2.544 4.065 . 0 0 "[ . 1]" 1
391 1 29 PHE QD 1 47 GLY H . . 4.730 3.879 3.567 4.273 . 0 0 "[ . 1]" 1
392 1 29 PHE QD 1 47 GLY QA . . 4.500 2.992 2.703 3.474 . 0 0 "[ . 1]" 1
393 1 29 PHE QD 1 48 LEU H . . 4.850 4.114 3.627 4.470 . 0 0 "[ . 1]" 1
394 1 29 PHE QD 1 48 LEU HA . . 3.870 4.312 3.650 4.740 0.870 10 5 "[ ** .-* +]" 1
395 1 29 PHE QD 1 48 LEU QD . . 3.880 4.402 3.749 5.236 1.356 10 6 "[-** . ** +]" 1
396 1 29 PHE QD 1 51 LEU QD . . 3.580 2.316 1.800 2.844 . 0 0 "[ . 1]" 1
397 1 29 PHE QD 1 51 LEU HG . . 4.440 4.111 2.993 4.475 0.035 2 0 "[ . 1]" 1
398 1 29 PHE HE1 1 47 GLY H . . 4.900 4.444 4.125 4.908 0.008 6 0 "[ . 1]" 1
399 1 29 PHE HE1 1 47 GLY QA . . 4.140 3.183 2.642 3.871 . 0 0 "[ . 1]" 1
400 1 29 PHE HE2 1 47 GLY QA . . 4.720 4.243 3.598 4.773 0.053 9 0 "[ . 1]" 1
401 1 29 PHE HE2 1 51 LEU QD . . 3.810 2.600 2.197 2.963 . 0 0 "[ . 1]" 1
402 1 30 ILE H 1 30 ILE HB . . 3.700 3.450 3.387 3.508 . 0 0 "[ . 1]" 1
403 1 30 ILE H 1 30 ILE MD . . 4.960 4.858 4.768 4.914 . 0 0 "[ . 1]" 1
404 1 30 ILE H 1 30 ILE MG . . 2.920 2.431 2.277 2.506 . 0 0 "[ . 1]" 1
405 1 30 ILE H 1 31 ARG QD . . 4.710 4.893 3.322 6.276 1.566 3 4 "[ + . -**1]" 1
406 1 30 ILE H 1 42 ILE HA . . 5.010 5.478 5.286 5.867 0.857 6 4 "[** .+- 1]" 1
407 1 30 ILE H 1 43 VAL H . . 4.380 4.497 4.207 4.641 0.261 5 0 "[ . 1]" 1
408 1 30 ILE H 1 43 VAL HB . . 3.980 4.192 3.848 4.711 0.731 5 1 "[ + 1]" 1
409 1 30 ILE H 1 43 VAL QG . . 3.430 3.787 3.259 4.499 1.069 5 3 "[ -*+ 1]" 1
410 1 30 ILE H 1 44 ASP QB . . 5.500 5.493 5.297 5.729 0.229 8 0 "[ . 1]" 1
411 1 30 ILE H 1 51 LEU QD . . 5.440 5.485 4.817 5.895 0.455 5 0 "[ . 1]" 1
412 1 30 ILE HA 1 30 ILE MD . . 3.970 3.837 3.782 3.882 . 0 0 "[ . 1]" 1
413 1 30 ILE HA 1 30 ILE QG . . 3.360 2.443 2.358 2.512 . 0 0 "[ . 1]" 1
414 1 30 ILE HA 1 31 ARG H . . 2.800 2.215 2.146 2.292 . 0 0 "[ . 1]" 1
415 1 30 ILE HA 1 41 ARG H . . 5.030 4.758 4.509 5.056 0.026 8 0 "[ . 1]" 1
416 1 30 ILE HA 1 42 ILE H . . 5.270 5.231 5.055 5.473 0.203 6 0 "[ . 1]" 1
417 1 30 ILE HA 1 42 ILE HA . . 3.520 2.940 2.656 3.367 . 0 0 "[ . 1]" 1
418 1 30 ILE HA 1 42 ILE MG . . 4.400 4.313 3.929 4.733 0.333 6 0 "[ . 1]" 1
419 1 30 ILE HA 1 43 VAL H . . 3.240 2.516 2.230 2.814 . 0 0 "[ . 1]" 1
420 1 30 ILE HA 1 43 VAL HB . . 4.730 3.709 3.288 4.074 . 0 0 "[ . 1]" 1
421 1 30 ILE HA 1 43 VAL QG . . 3.290 2.461 2.099 3.164 . 0 0 "[ . 1]" 1
422 1 30 ILE HA 1 44 ASP H . . 4.690 4.214 4.113 4.448 . 0 0 "[ . 1]" 1
423 1 30 ILE HB 1 30 ILE MD . . 3.140 2.447 2.403 2.479 . 0 0 "[ . 1]" 1
424 1 30 ILE HB 1 31 ARG H . . 4.480 4.152 4.047 4.248 . 0 0 "[ . 1]" 1
425 1 30 ILE HB 1 42 ILE HA . . 4.420 3.135 2.838 3.388 . 0 0 "[ . 1]" 1
426 1 30 ILE HB 1 42 ILE MG . . 4.390 3.569 3.242 4.030 . 0 0 "[ . 1]" 1
427 1 30 ILE HB 1 43 VAL H . . 4.040 3.603 3.165 4.021 . 0 0 "[ . 1]" 1
428 1 30 ILE HB 1 48 LEU QD . . 4.650 2.671 2.247 3.418 . 0 0 "[ . 1]" 1
429 1 30 ILE MD 1 31 ARG H . . 4.160 4.257 4.025 4.548 0.388 5 0 "[ . 1]" 1
430 1 30 ILE MD 1 40 PHE QB . . 4.280 3.329 2.855 3.796 . 0 0 "[ . 1]" 1
431 1 30 ILE MD 1 40 PHE HD2 . . 3.590 2.159 1.847 2.582 . 0 0 "[ . 1]" 1
432 1 30 ILE MD 1 40 PHE HE2 . . 3.650 2.726 2.405 2.988 . 0 0 "[ . 1]" 1
433 1 30 ILE MD 1 41 ARG H . . 4.800 4.672 4.088 5.310 0.510 5 1 "[ + 1]" 1
434 1 30 ILE MD 1 42 ILE HA . . 4.470 3.676 3.283 4.061 . 0 0 "[ . 1]" 1
435 1 30 ILE MD 1 42 ILE QG . . 4.730 3.819 3.656 4.048 . 0 0 "[ . 1]" 1
436 1 30 ILE MD 1 43 VAL H . . 5.500 4.955 4.545 5.385 . 0 0 "[ . 1]" 1
437 1 30 ILE QG 1 31 ARG H . . 3.180 2.584 2.347 2.885 . 0 0 "[ . 1]" 1
438 1 30 ILE QG 1 31 ARG HE . . 5.500 6.700 5.536 7.575 2.075 8 8 "[*** -**+*1]" 1
439 1 30 ILE QG 1 40 PHE HD2 . . 4.410 2.636 2.328 2.858 . 0 0 "[ . 1]" 1
440 1 30 ILE QG 1 41 ARG H . . 4.250 3.593 3.123 4.060 . 0 0 "[ . 1]" 1
441 1 30 ILE QG 1 42 ILE HA . . 4.720 2.799 2.545 3.095 . 0 0 "[ . 1]" 1
442 1 30 ILE QG 1 43 VAL H . . 5.350 3.944 3.568 4.333 . 0 0 "[ . 1]" 1
443 1 30 ILE MG 1 31 ARG QB . . 4.970 4.664 4.505 5.058 0.088 6 0 "[ . 1]" 1
444 1 30 ILE MG 1 40 PHE HD2 . . 5.230 4.868 4.784 5.020 . 0 0 "[ . 1]" 1
445 1 30 ILE MG 1 42 ILE HA . . 4.660 4.609 4.394 4.796 0.136 6 0 "[ . 1]" 1
446 1 31 ARG H 1 31 ARG QB . . 3.460 3.156 2.825 3.342 . 0 0 "[ . 1]" 1
447 1 31 ARG H 1 31 ARG QD . . 4.690 2.817 1.875 4.328 . 0 0 "[ . 1]" 1
448 1 31 ARG H 1 32 TRP H . . 4.590 4.393 4.380 4.400 . 0 0 "[ . 1]" 1
449 1 31 ARG H 1 40 PHE HA . . 5.400 5.008 4.805 5.328 . 0 0 "[ . 1]" 1
450 1 31 ARG H 1 40 PHE QB . . 4.480 3.966 3.643 4.268 . 0 0 "[ . 1]" 1
451 1 31 ARG H 1 40 PHE HD2 . . 5.010 4.698 4.172 5.237 0.227 2 0 "[ . 1]" 1
452 1 31 ARG H 1 41 ARG H . . 3.470 3.178 2.920 3.432 . 0 0 "[ . 1]" 1
453 1 31 ARG H 1 41 ARG QD . . 5.410 5.260 4.112 5.820 0.410 3 0 "[ . 1]" 1
454 1 31 ARG H 1 41 ARG QG . . 3.090 5.103 4.476 5.848 2.758 2 10 [*+*******-] 1
455 1 31 ARG H 1 42 ILE HA . . 3.910 4.215 3.780 4.607 0.697 2 3 "[ + -.* 1]" 1
456 1 31 ARG H 1 43 VAL H . . 3.820 4.173 3.825 4.733 0.913 10 2 "[ -. +]" 1
457 1 31 ARG H 1 43 VAL QG . . 3.360 2.962 2.662 3.382 0.022 10 0 "[ . 1]" 1
458 1 31 ARG HA 1 31 ARG QD . . 4.240 3.872 3.617 4.495 0.255 8 0 "[ . 1]" 1
459 1 31 ARG HA 1 31 ARG QG . . 3.670 3.306 2.454 3.472 . 0 0 "[ . 1]" 1
460 1 31 ARG HA 1 32 TRP H . . 2.670 2.439 2.302 2.560 . 0 0 "[ . 1]" 1
461 1 31 ARG HA 1 32 TRP HD1 . . 4.860 4.078 3.482 4.517 . 0 0 "[ . 1]" 1
462 1 31 ARG HA 1 43 VAL QG . . 4.840 4.912 4.384 5.275 0.435 4 0 "[ . 1]" 1
463 1 31 ARG QB 1 31 ARG QD . . 2.990 2.348 1.932 2.814 . 0 0 "[ . 1]" 1
464 1 31 ARG QB 1 31 ARG HE . . 4.450 3.216 2.013 4.202 . 0 0 "[ . 1]" 1
465 1 31 ARG QB 1 32 TRP H . . 3.110 2.375 2.173 2.623 . 0 0 "[ . 1]" 1
466 1 31 ARG QB 1 32 TRP HB2 . . 4.940 4.296 4.135 4.455 . 0 0 "[ . 1]" 1
467 1 31 ARG QB 1 41 ARG H . . 4.570 4.985 4.199 5.401 0.831 1 4 "[+*-*. 1]" 1
468 1 31 ARG QB 1 43 VAL H . . 4.640 6.140 5.620 6.407 1.767 10 10 [*******-*+] 1
469 1 31 ARG QB 1 43 VAL HB . . 4.840 5.888 5.469 6.095 1.255 1 10 [+******-**] 1
470 1 31 ARG QB 1 43 VAL QG . . 3.480 3.746 3.102 4.116 0.636 5 2 "[ - + 1]" 1
471 1 31 ARG QD 1 32 TRP H . . 4.700 4.394 3.132 5.232 0.532 9 1 "[ . +1]" 1
472 1 31 ARG QD 1 43 VAL QG . . 3.740 2.362 1.808 3.742 0.002 3 0 "[ . 1]" 1
473 1 31 ARG QG 1 32 TRP H . . 3.730 3.574 2.636 4.335 0.605 7 1 "[ . + 1]" 1
474 1 31 ARG QG 1 43 VAL QG . . 3.710 3.095 1.968 4.059 0.349 10 0 "[ . 1]" 1
475 1 32 TRP H 1 32 TRP HB2 . . 3.010 2.474 2.382 2.585 . 0 0 "[ . 1]" 1
476 1 32 TRP H 1 32 TRP HB3 . . 3.760 3.609 3.597 3.620 . 0 0 "[ . 1]" 1
477 1 32 TRP H 1 32 TRP HD1 . . 3.480 2.597 2.219 3.053 . 0 0 "[ . 1]" 1
478 1 32 TRP H 1 32 TRP HE1 . . 5.430 4.722 4.376 5.080 . 0 0 "[ . 1]" 1
479 1 32 TRP H 1 40 PHE QB . . 5.210 4.252 3.899 4.443 . 0 0 "[ . 1]" 1
480 1 32 TRP HA 1 32 TRP HD1 . . 5.160 4.249 4.108 4.411 . 0 0 "[ . 1]" 1
481 1 32 TRP HA 1 32 TRP HE1 . . 5.500 5.547 5.434 5.626 0.126 5 0 "[ . 1]" 1
482 1 32 TRP HA 1 33 GLU H . . 3.230 2.179 2.159 2.229 . 0 0 "[ . 1]" 1
483 1 32 TRP HA 1 40 PHE H . . 5.370 4.648 4.398 4.856 . 0 0 "[ . 1]" 1
484 1 32 TRP HA 1 40 PHE HA . . 3.720 2.075 1.782 2.392 . 0 0 "[ . 1]" 1
485 1 32 TRP HA 1 40 PHE QB . . 4.750 2.551 2.348 2.789 . 0 0 "[ . 1]" 1
486 1 32 TRP HA 1 41 ARG H . . 3.770 3.453 3.138 3.855 0.085 4 0 "[ . 1]" 1
487 1 32 TRP HB2 1 32 TRP HD1 . . 3.450 2.641 2.557 2.723 . 0 0 "[ . 1]" 1
488 1 32 TRP HB2 1 32 TRP HE1 . . 5.020 4.772 4.738 4.796 . 0 0 "[ . 1]" 1
489 1 32 TRP HB2 1 33 GLU H . . 4.680 4.140 3.887 4.328 . 0 0 "[ . 1]" 1
490 1 32 TRP HB2 1 34 ASP H . . 4.870 4.387 3.757 4.905 0.035 9 0 "[ . 1]" 1
491 1 32 TRP HB2 1 35 LYS HB2 . . 4.420 3.903 3.258 4.508 0.088 9 0 "[ . 1]" 1
492 1 32 TRP HB2 1 35 LYS QD . . 4.210 3.941 2.981 4.643 0.433 8 0 "[ . 1]" 1
493 1 32 TRP HB3 1 32 TRP HD1 . . 3.790 3.789 3.700 3.844 0.054 7 0 "[ . 1]" 1
494 1 32 TRP HB3 1 32 TRP HE1 . . 5.270 5.228 5.183 5.256 . 0 0 "[ . 1]" 1
495 1 32 TRP HB3 1 33 GLU H . . 4.020 3.195 2.877 3.568 . 0 0 "[ . 1]" 1
496 1 32 TRP HB3 1 34 ASP H . . 3.970 3.009 2.628 3.474 . 0 0 "[ . 1]" 1
497 1 32 TRP HB3 1 35 LYS H . . 4.740 3.668 3.048 4.189 . 0 0 "[ . 1]" 1
498 1 32 TRP HB3 1 36 GLU H . . 5.500 5.732 5.253 6.063 0.563 9 1 "[ . +1]" 1
499 1 32 TRP HD1 1 35 LYS QD . . 3.610 3.777 3.147 4.268 0.658 8 2 "[ . + -]" 1
500 1 32 TRP HD1 1 35 LYS QE . . 4.360 5.033 3.824 6.025 1.665 10 5 "[** -. * +]" 1
501 1 32 TRP HE1 1 35 LYS QD . . 3.910 3.763 3.243 4.504 0.594 9 1 "[ . +1]" 1
502 1 32 TRP HE1 1 35 LYS QE . . 3.770 4.207 3.261 5.268 1.498 10 4 "[*- *. +]" 1
503 1 32 TRP HZ2 1 35 LYS QE . . 4.650 4.348 2.879 5.604 0.954 9 1 "[ . +1]" 1
504 1 33 GLU H 1 33 GLU QB . . 3.510 2.362 2.262 2.461 . 0 0 "[ . 1]" 1
505 1 33 GLU H 1 33 GLU HG2 . . 5.010 3.079 2.290 4.705 . 0 0 "[ . 1]" 1
506 1 33 GLU H 1 33 GLU QG . . 4.210 2.922 2.268 4.107 . 0 0 "[ . 1]" 1
507 1 33 GLU H 1 33 GLU HG3 . . 5.010 4.001 3.636 4.527 . 0 0 "[ . 1]" 1
508 1 33 GLU H 1 34 ASP H . . 2.980 2.211 2.055 2.441 . 0 0 "[ . 1]" 1
509 1 33 GLU H 1 39 ILE H . . 5.500 4.646 4.374 5.260 . 0 0 "[ . 1]" 1
510 1 33 GLU H 1 39 ILE MG . . 4.250 3.400 2.795 3.901 . 0 0 "[ . 1]" 1
511 1 33 GLU H 1 40 PHE HA . . 3.310 1.996 1.798 2.155 . 0 0 "[ . 1]" 1
512 1 33 GLU H 1 40 PHE QB . . 3.800 3.654 3.481 3.836 0.036 2 0 "[ . 1]" 1
513 1 33 GLU H 1 88 LEU QD . . 4.940 4.307 4.057 4.866 . 0 0 "[ . 1]" 1
514 1 33 GLU HA 1 33 GLU HG2 . . 4.140 3.090 2.655 3.726 . 0 0 "[ . 1]" 1
515 1 33 GLU HA 1 33 GLU HG3 . . 4.140 3.582 2.934 3.778 . 0 0 "[ . 1]" 1
516 1 33 GLU HA 1 40 PHE HA . . 4.930 4.644 4.482 4.830 . 0 0 "[ . 1]" 1
517 1 33 GLU QB 1 34 ASP H . . 3.100 2.659 2.338 2.829 . 0 0 "[ . 1]" 1
518 1 33 GLU QB 1 34 ASP HA . . 4.560 4.470 4.334 4.663 0.103 3 0 "[ . 1]" 1
519 1 33 GLU QB 1 34 ASP QB . . 4.210 3.456 3.277 3.720 . 0 0 "[ . 1]" 1
520 1 33 GLU QB 1 39 ILE H . . 5.320 4.796 4.321 5.444 0.124 3 0 "[ . 1]" 1
521 1 33 GLU QB 1 39 ILE MG . . 2.730 2.198 1.799 2.792 0.062 9 0 "[ . 1]" 1
522 1 33 GLU QB 1 40 PHE H . . 4.730 4.556 4.340 4.858 0.128 7 0 "[ . 1]" 1
523 1 33 GLU QB 1 40 PHE HA . . 4.150 3.505 3.028 3.889 . 0 0 "[ . 1]" 1
524 1 33 GLU QB 1 88 LEU QD . . 3.670 2.919 2.330 3.319 . 0 0 "[ . 1]" 1
525 1 33 GLU QG 1 34 ASP H . . 5.120 4.093 3.918 4.347 . 0 0 "[ . 1]" 1
526 1 33 GLU QG 1 39 ILE MG . . 3.500 2.961 2.341 3.792 0.292 9 0 "[ . 1]" 1
527 1 33 GLU QG 1 88 LEU HA . . 5.020 4.968 4.271 5.998 0.978 3 1 "[ + . 1]" 1
528 1 33 GLU HG2 1 41 ARG H . . 5.500 3.696 2.861 5.701 0.201 3 0 "[ . 1]" 1
529 1 33 GLU HG2 1 88 LEU QD . . 3.510 2.906 1.830 3.587 0.077 4 0 "[ . 1]" 1
530 1 33 GLU HG3 1 41 ARG H . . 5.500 4.918 4.231 6.356 0.856 3 2 "[- + . 1]" 1
531 1 33 GLU HG3 1 88 LEU QD . . 3.510 2.357 1.757 4.147 0.637 3 1 "[ + . 1]" 1
532 1 34 ASP H 1 34 ASP QB . . 3.250 2.782 2.679 2.854 . 0 0 "[ . 1]" 1
533 1 34 ASP H 1 35 LYS H . . 4.640 3.922 3.619 4.150 . 0 0 "[ . 1]" 1
534 1 34 ASP H 1 35 LYS HA . . 4.350 4.389 4.262 4.598 0.248 7 0 "[ . 1]" 1
535 1 34 ASP H 1 37 SER QB . . 5.500 4.720 3.856 5.117 . 0 0 "[ . 1]" 1
536 1 34 ASP H 1 39 ILE H . . 3.820 3.368 3.169 3.717 . 0 0 "[ . 1]" 1
537 1 34 ASP H 1 39 ILE HB . . 4.270 2.860 2.443 3.344 . 0 0 "[ . 1]" 1
538 1 34 ASP H 1 39 ILE MD . . 5.500 4.599 4.150 5.096 . 0 0 "[ . 1]" 1
539 1 34 ASP H 1 39 ILE QG . . 5.500 4.667 4.315 5.040 . 0 0 "[ . 1]" 1
540 1 34 ASP H 1 39 ILE MG . . 3.540 3.571 2.563 3.989 0.449 8 0 "[ . 1]" 1
541 1 34 ASP H 1 40 PHE H . . 5.030 5.082 4.872 5.429 0.399 7 0 "[ . 1]" 1
542 1 34 ASP H 1 40 PHE HA . . 3.800 3.813 3.484 4.207 0.407 7 0 "[ . 1]" 1
543 1 34 ASP H 1 40 PHE QB . . 5.140 4.911 4.546 5.205 0.065 7 0 "[ . 1]" 1
544 1 34 ASP H 1 88 LEU QD . . 5.500 5.033 4.571 5.451 . 0 0 "[ . 1]" 1
545 1 34 ASP HA 1 35 LYS H . . 2.770 2.130 2.097 2.165 . 0 0 "[ . 1]" 1
546 1 34 ASP HA 1 35 LYS HA . . 4.670 4.367 4.305 4.466 . 0 0 "[ . 1]" 1
547 1 34 ASP HA 1 35 LYS HB3 . . 4.920 4.550 4.343 4.687 . 0 0 "[ . 1]" 1
548 1 34 ASP HA 1 36 GLU H . . 3.560 4.039 3.666 4.304 0.744 7 5 "[* * -*+ 1]" 1
549 1 34 ASP HA 1 36 GLU QG . . 4.820 5.609 4.965 6.006 1.186 1 7 "[+ **-** *1]" 1
550 1 34 ASP HA 1 37 SER H . . 4.020 4.478 4.258 4.647 0.627 5 2 "[ + -1]" 1
551 1 34 ASP HA 1 37 SER QB . . 4.730 4.836 4.534 5.058 0.328 8 0 "[ . 1]" 1
552 1 34 ASP HA 1 39 ILE MG . . 4.970 5.599 4.726 6.036 1.066 7 7 "[- **+***]" 1
553 1 34 ASP QB 1 35 LYS H . . 4.370 3.834 3.718 3.942 . 0 0 "[ . 1]" 1
554 1 34 ASP QB 1 36 GLU H . . 4.170 4.321 4.014 4.618 0.448 1 0 "[ . 1]" 1
555 1 34 ASP QB 1 37 SER H . . 3.720 3.130 2.937 3.342 . 0 0 "[ . 1]" 1
556 1 34 ASP QB 1 37 SER QB . . 4.010 2.189 1.798 2.442 . 0 0 "[ . 1]" 1
557 1 34 ASP QB 1 39 ILE H . . 3.640 3.152 2.569 3.762 0.122 7 0 "[ . 1]" 1
558 1 34 ASP QB 1 39 ILE HB . . 3.690 2.534 1.880 3.361 . 0 0 "[ . 1]" 1
559 1 34 ASP QB 1 39 ILE MD . . 3.310 2.838 2.167 3.650 0.340 7 0 "[ . 1]" 1
560 1 34 ASP QB 1 39 ILE MG . . 3.650 3.749 3.094 4.431 0.781 7 3 "[ -*+ 1]" 1
561 1 35 LYS H 1 35 LYS HB2 . . 3.610 2.511 2.378 2.644 . 0 0 "[ . 1]" 1
562 1 35 LYS H 1 35 LYS HB3 . . 3.510 2.481 2.329 2.577 . 0 0 "[ . 1]" 1
563 1 35 LYS H 1 35 LYS HG2 . . 4.780 4.571 4.535 4.618 . 0 0 "[ . 1]" 1
564 1 35 LYS H 1 35 LYS HG3 . . 4.640 4.430 4.339 4.484 . 0 0 "[ . 1]" 1
565 1 35 LYS H 1 36 GLU H . . 3.520 2.741 2.559 3.022 . 0 0 "[ . 1]" 1
566 1 35 LYS H 1 36 GLU HA . . 5.500 5.318 5.167 5.510 0.010 3 0 "[ . 1]" 1
567 1 35 LYS H 1 36 GLU QB . . 5.020 4.811 4.643 5.059 0.039 3 0 "[ . 1]" 1
568 1 35 LYS H 1 37 SER H . . 4.760 4.211 4.034 4.410 . 0 0 "[ . 1]" 1
569 1 35 LYS HA 1 35 LYS QD . . 3.380 2.204 2.058 2.386 . 0 0 "[ . 1]" 1
570 1 35 LYS HA 1 35 LYS HG2 . . 3.690 3.809 3.744 3.908 0.218 2 0 "[ . 1]" 1
571 1 35 LYS HA 1 35 LYS HG3 . . 3.850 3.099 2.952 3.251 . 0 0 "[ . 1]" 1
572 1 35 LYS HA 1 37 SER H . . 4.270 4.567 4.418 4.849 0.579 9 1 "[ . +1]" 1
573 1 35 LYS HA 1 38 LYS H . . 4.080 3.843 3.577 4.225 0.145 3 0 "[ . 1]" 1
574 1 35 LYS HA 1 38 LYS QG . . 5.340 5.462 5.013 6.487 1.147 10 2 "[ - . +]" 1
575 1 35 LYS HA 1 39 ILE H . . 4.130 4.266 3.877 4.551 0.421 9 0 "[ . 1]" 1
576 1 35 LYS HB2 1 35 LYS QE . . 4.260 4.003 3.833 4.189 . 0 0 "[ . 1]" 1
577 1 35 LYS HB2 1 36 GLU H . . 3.900 3.853 3.706 3.988 0.088 8 0 "[ . 1]" 1
578 1 35 LYS HB2 1 36 GLU QG . . 4.910 4.587 4.366 4.722 . 0 0 "[ . 1]" 1
579 1 35 LYS HB3 1 36 GLU H . . 3.280 2.540 2.287 2.831 . 0 0 "[ . 1]" 1
580 1 35 LYS HB3 1 36 GLU QG . . 3.920 2.982 2.763 3.146 . 0 0 "[ . 1]" 1
581 1 35 LYS HB3 1 37 SER H . . 5.360 4.928 4.682 5.308 . 0 0 "[ . 1]" 1
582 1 35 LYS QD 1 39 ILE H . . 4.760 5.701 5.343 6.198 1.438 3 10 [**+****-**] 1
583 1 35 LYS QE 1 35 LYS HG2 . . 3.270 2.569 2.292 2.961 . 0 0 "[ . 1]" 1
584 1 35 LYS QE 1 35 LYS HG3 . . 3.220 2.584 2.397 3.078 . 0 0 "[ . 1]" 1
585 1 35 LYS HG2 1 36 GLU H . . 5.260 4.541 4.192 4.922 . 0 0 "[ . 1]" 1
586 1 35 LYS HG3 1 36 GLU H . . 4.470 3.666 3.285 4.015 . 0 0 "[ . 1]" 1
587 1 35 LYS HG3 1 36 GLU HA . . 4.640 3.483 3.092 3.767 . 0 0 "[ . 1]" 1
588 1 35 LYS HG3 1 36 GLU QG . . 4.910 3.627 3.173 4.103 . 0 0 "[ . 1]" 1
589 1 36 GLU H 1 36 GLU HA . . 2.830 2.854 2.829 2.870 0.040 9 0 "[ . 1]" 1
590 1 36 GLU H 1 36 GLU QB . . 2.620 2.423 2.332 2.531 . 0 0 "[ . 1]" 1
591 1 36 GLU H 1 36 GLU QG . . 2.830 2.262 1.984 2.536 . 0 0 "[ . 1]" 1
592 1 36 GLU H 1 37 SER H . . 2.860 2.545 2.475 2.620 . 0 0 "[ . 1]" 1
593 1 36 GLU H 1 37 SER QB . . 4.890 4.739 4.618 4.834 . 0 0 "[ . 1]" 1
594 1 36 GLU H 1 38 LYS H . . 3.990 3.834 3.583 3.996 0.006 3 0 "[ . 1]" 1
595 1 36 GLU HA 1 36 GLU QB . . 2.750 2.367 2.325 2.411 . 0 0 "[ . 1]" 1
596 1 36 GLU HA 1 36 GLU QG . . 2.990 2.510 2.295 3.014 0.024 10 0 "[ . 1]" 1
597 1 36 GLU HA 1 38 LYS H . . 3.980 3.695 3.506 3.837 . 0 0 "[ . 1]" 1
598 1 36 GLU QB 1 37 SER H . . 2.870 2.737 2.426 2.974 0.104 3 0 "[ . 1]" 1
599 1 36 GLU QB 1 38 LYS H . . 4.700 4.388 4.222 4.478 . 0 0 "[ . 1]" 1
600 1 36 GLU QG 1 37 SER H . . 4.110 4.107 3.951 4.281 0.171 3 0 "[ . 1]" 1
601 1 37 SER H 1 37 SER QB . . 3.030 2.536 2.470 2.604 . 0 0 "[ . 1]" 1
602 1 37 SER H 1 38 LYS H . . 2.860 2.478 2.377 2.541 . 0 0 "[ . 1]" 1
603 1 37 SER H 1 38 LYS QG . . 4.690 4.692 4.204 5.359 0.669 2 2 "[ + -. 1]" 1
604 1 37 SER H 1 39 ILE H . . 4.040 3.900 3.643 4.073 0.033 7 0 "[ . 1]" 1
605 1 37 SER H 1 39 ILE HB . . 4.610 5.089 4.722 5.355 0.745 9 7 "[- ****+*]" 1
606 1 37 SER H 1 39 ILE MD . . 4.470 4.714 4.135 5.265 0.795 7 1 "[ . + 1]" 1
607 1 37 SER H 1 39 ILE QG . . 5.450 4.591 4.079 6.044 0.594 3 1 "[ + . 1]" 1
608 1 37 SER QB 1 38 LYS H . . 4.310 3.355 3.202 3.541 . 0 0 "[ . 1]" 1
609 1 37 SER QB 1 39 ILE H . . 4.380 3.228 2.956 3.634 . 0 0 "[ . 1]" 1
610 1 37 SER QB 1 39 ILE HB . . 3.800 3.304 3.072 3.631 . 0 0 "[ . 1]" 1
611 1 37 SER QB 1 39 ILE MD . . 3.480 2.312 2.024 2.482 . 0 0 "[ . 1]" 1
612 1 37 SER QB 1 39 ILE MG . . 5.090 4.290 4.173 4.401 . 0 0 "[ . 1]" 1
613 1 38 LYS H 1 38 LYS HA . . 2.930 2.266 2.250 2.273 . 0 0 "[ . 1]" 1
614 1 38 LYS H 1 38 LYS HB2 . . 4.090 3.651 3.519 4.067 . 0 0 "[ . 1]" 1
615 1 38 LYS H 1 38 LYS HB3 . . 4.090 4.000 3.399 4.102 0.012 3 0 "[ . 1]" 1
616 1 38 LYS H 1 38 LYS QD . . 5.040 3.679 2.376 4.765 . 0 0 "[ . 1]" 1
617 1 38 LYS H 1 38 LYS QE . . 5.100 4.688 3.807 5.524 0.424 3 0 "[ . 1]" 1
618 1 38 LYS H 1 38 LYS QG . . 3.380 2.907 2.698 3.313 . 0 0 "[ . 1]" 1
619 1 38 LYS H 1 39 ILE H . . 3.210 2.663 2.550 2.970 . 0 0 "[ . 1]" 1
620 1 38 LYS H 1 39 ILE HB . . 5.500 4.901 4.686 5.170 . 0 0 "[ . 1]" 1
621 1 38 LYS H 1 39 ILE MD . . 5.080 5.007 3.878 5.281 0.201 7 0 "[ . 1]" 1
622 1 38 LYS HA 1 38 LYS QG . . 3.460 2.668 2.361 3.465 0.005 10 0 "[ . 1]" 1
623 1 38 LYS HA 1 39 ILE H . . 3.330 2.790 2.541 3.005 . 0 0 "[ . 1]" 1
624 1 38 LYS HA 1 91 PHE H . . 5.300 4.512 4.241 4.836 . 0 0 "[ . 1]" 1
625 1 38 LYS QB 1 91 PHE H . . 3.630 2.691 2.520 2.852 . 0 0 "[ . 1]" 1
626 1 38 LYS QB 1 91 PHE QB . . 3.670 1.864 1.763 2.238 . 0 0 "[ . 1]" 1
627 1 38 LYS HB2 1 91 PHE H . . 4.250 3.211 2.812 3.863 . 0 0 "[ . 1]" 1
628 1 38 LYS HB2 1 91 PHE QB . . 4.190 2.765 1.841 3.556 . 0 0 "[ . 1]" 1
629 1 38 LYS HB3 1 91 PHE H . . 4.250 3.043 2.677 4.549 0.299 10 0 "[ . 1]" 1
630 1 38 LYS HB3 1 91 PHE QB . . 4.190 2.030 1.784 3.120 . 0 0 "[ . 1]" 1
631 1 38 LYS QD 1 91 PHE QB . . 4.420 3.386 2.539 4.338 . 0 0 "[ . 1]" 1
632 1 38 LYS QE 1 38 LYS QG . . 3.280 2.372 2.139 2.778 . 0 0 "[ . 1]" 1
633 1 38 LYS QG 1 91 PHE QB . . 4.600 3.096 2.403 3.635 . 0 0 "[ . 1]" 1
634 1 39 ILE H 1 39 ILE HB . . 2.970 2.574 2.390 2.646 . 0 0 "[ . 1]" 1
635 1 39 ILE H 1 39 ILE MD . . 3.950 3.794 2.645 3.996 0.046 2 0 "[ . 1]" 1
636 1 39 ILE H 1 39 ILE QG . . 3.880 2.713 2.469 3.617 . 0 0 "[ . 1]" 1
637 1 39 ILE H 1 39 ILE MG . . 3.860 3.814 3.673 3.856 . 0 0 "[ . 1]" 1
638 1 39 ILE H 1 40 PHE H . . 4.740 4.380 4.295 4.461 . 0 0 "[ . 1]" 1
639 1 39 ILE H 1 40 PHE HA . . 5.480 5.011 4.919 5.136 . 0 0 "[ . 1]" 1
640 1 39 ILE H 1 90 ARG HA . . 5.500 4.878 4.652 5.169 . 0 0 "[ . 1]" 1
641 1 39 ILE HA 1 39 ILE MD . . 3.880 3.775 3.140 3.866 . 0 0 "[ . 1]" 1
642 1 39 ILE HA 1 39 ILE QG . . 3.880 2.409 2.154 2.469 . 0 0 "[ . 1]" 1
643 1 39 ILE HA 1 39 ILE MG . . 3.190 2.410 2.342 2.627 . 0 0 "[ . 1]" 1
644 1 39 ILE HA 1 40 PHE H . . 3.070 2.172 2.142 2.217 . 0 0 "[ . 1]" 1
645 1 39 ILE HA 1 90 ARG H . . 5.340 4.923 4.594 5.194 . 0 0 "[ . 1]" 1
646 1 39 ILE HA 1 90 ARG HA . . 3.540 2.367 2.180 2.592 . 0 0 "[ . 1]" 1
647 1 39 ILE HA 1 90 ARG QG . . 4.770 2.969 2.661 3.293 . 0 0 "[ . 1]" 1
648 1 39 ILE HA 1 91 PHE H . . 4.260 3.692 3.430 3.948 . 0 0 "[ . 1]" 1
649 1 39 ILE HB 1 39 ILE MD . . 2.690 2.411 2.257 2.450 . 0 0 "[ . 1]" 1
650 1 39 ILE HB 1 40 PHE H . . 5.110 4.218 4.077 4.387 . 0 0 "[ . 1]" 1
651 1 39 ILE MD 1 88 LEU QD . . 3.070 3.559 3.022 4.083 1.013 9 5 "[* - * *+1]" 1
652 1 39 ILE MD 1 90 ARG HA . . 4.790 4.881 4.309 5.230 0.440 10 0 "[ . 1]" 1
653 1 39 ILE MD 1 90 ARG HD2 . . 4.240 2.939 2.310 4.647 0.407 5 0 "[ . 1]" 1
654 1 39 ILE MD 1 90 ARG HD3 . . 4.240 3.760 2.287 4.305 0.065 7 0 "[ . 1]" 1
655 1 39 ILE MD 1 90 ARG QG . . 3.410 3.396 2.480 3.752 0.342 9 0 "[ . 1]" 1
656 1 39 ILE MD 1 91 PHE H . . 5.500 5.805 4.922 6.086 0.586 4 3 "[ - +. *1]" 1
657 1 39 ILE QG 1 40 PHE H . . 4.170 4.170 3.855 4.287 0.117 9 0 "[ . 1]" 1
658 1 39 ILE QG 1 90 ARG QD . . 4.380 2.377 2.005 3.334 . 0 0 "[ . 1]" 1
659 1 39 ILE MG 1 40 PHE H . . 3.360 2.740 2.521 2.862 . 0 0 "[ . 1]" 1
660 1 39 ILE MG 1 40 PHE HA . . 3.850 3.491 3.143 3.725 . 0 0 "[ . 1]" 1
661 1 39 ILE MG 1 40 PHE HD1 . . 4.470 4.796 4.515 4.948 0.478 9 0 "[ . 1]" 1
662 1 39 ILE MG 1 88 LEU HA . . 4.450 4.313 3.718 4.873 0.423 10 0 "[ . 1]" 1
663 1 39 ILE MG 1 88 LEU QD . . 2.660 1.850 1.691 2.210 . 0 0 "[ . 1]" 1
664 1 39 ILE MG 1 88 LEU HG . . 3.900 3.533 2.883 4.244 0.344 5 0 "[ . 1]" 1
665 1 39 ILE MG 1 90 ARG HA . . 4.260 3.682 3.353 4.126 . 0 0 "[ . 1]" 1
666 1 39 ILE MG 1 91 PHE H . . 5.500 5.305 5.041 5.606 0.106 3 0 "[ . 1]" 1
667 1 40 PHE H 1 40 PHE HD1 . . 3.890 2.578 2.476 2.677 . 0 0 "[ . 1]" 1
668 1 40 PHE H 1 40 PHE HE1 . . 4.720 4.249 4.182 4.324 . 0 0 "[ . 1]" 1
669 1 40 PHE H 1 41 ARG H . . 4.630 4.451 4.406 4.484 . 0 0 "[ . 1]" 1
670 1 40 PHE H 1 88 LEU HA . . 5.500 5.115 4.624 5.500 . 0 0 "[ . 1]" 1
671 1 40 PHE H 1 88 LEU QD . . 4.690 3.615 3.250 4.024 . 0 0 "[ . 1]" 1
672 1 40 PHE H 1 89 PHE H . . 3.990 3.488 3.077 3.754 . 0 0 "[ . 1]" 1
673 1 40 PHE H 1 89 PHE QB . . 4.550 3.956 3.643 4.165 . 0 0 "[ . 1]" 1
674 1 40 PHE H 1 90 ARG HA . . 4.230 3.228 2.949 3.410 . 0 0 "[ . 1]" 1
675 1 40 PHE H 1 91 PHE H . . 5.070 4.748 4.259 4.970 . 0 0 "[ . 1]" 1
676 1 40 PHE HA 1 40 PHE HD1 . . 4.910 4.120 4.077 4.159 . 0 0 "[ . 1]" 1
677 1 40 PHE HA 1 41 ARG H . . 3.000 2.356 2.314 2.431 . 0 0 "[ . 1]" 1
678 1 40 PHE QB 1 41 ARG H . . 3.120 2.524 2.397 2.664 . 0 0 "[ . 1]" 1
679 1 40 PHE HD1 1 89 PHE H . . 5.200 5.228 5.015 5.585 0.385 4 0 "[ . 1]" 1
680 1 40 PHE HD1 1 91 PHE H . . 4.550 3.942 3.365 4.379 . 0 0 "[ . 1]" 1
681 1 40 PHE HD2 1 41 ARG H . . 3.930 3.549 3.275 3.727 . 0 0 "[ . 1]" 1
682 1 40 PHE HD2 1 42 ILE H . . 5.460 4.496 4.216 4.814 . 0 0 "[ . 1]" 1
683 1 40 PHE HD2 1 42 ILE MD . . 4.250 2.995 2.704 3.283 . 0 0 "[ . 1]" 1
684 1 40 PHE HE1 1 79 ILE MD . . 3.910 2.776 2.276 3.420 . 0 0 "[ . 1]" 1
685 1 40 PHE HE1 1 79 ILE MG . . 3.650 3.727 3.053 4.569 0.919 2 2 "[ + . - 1]" 1
686 1 40 PHE HE1 1 89 PHE H . . 5.390 5.542 5.373 5.823 0.433 4 0 "[ . 1]" 1
687 1 40 PHE HE1 1 89 PHE QB . . 4.620 3.247 3.008 3.504 . 0 0 "[ . 1]" 1
688 1 40 PHE HE1 1 90 ARG H . . 5.260 4.508 3.952 5.017 . 0 0 "[ . 1]" 1
689 1 40 PHE HE1 1 91 PHE H . . 5.190 3.767 3.340 4.214 . 0 0 "[ . 1]" 1
690 1 40 PHE HE2 1 42 ILE MD . . 3.640 2.617 2.234 3.036 . 0 0 "[ . 1]" 1
691 1 40 PHE HE2 1 70 LEU QD . . 5.440 4.540 3.985 5.413 . 0 0 "[ . 1]" 1
692 1 40 PHE HZ 1 70 LEU QD . . 5.150 4.307 3.743 5.140 . 0 0 "[ . 1]" 1
693 1 40 PHE HZ 1 79 ILE MD . . 3.850 2.635 2.233 3.324 . 0 0 "[ . 1]" 1
694 1 40 PHE HZ 1 79 ILE MG . . 3.870 3.181 2.748 3.869 . 0 0 "[ . 1]" 1
695 1 41 ARG H 1 41 ARG QB . . 3.030 2.518 2.462 2.573 . 0 0 "[ . 1]" 1
696 1 41 ARG H 1 41 ARG QD . . 4.620 4.558 4.007 4.698 0.078 7 0 "[ . 1]" 1
697 1 41 ARG H 1 41 ARG QG . . 3.690 4.089 3.995 4.207 0.517 2 2 "[-+ . 1]" 1
698 1 41 ARG H 1 42 ILE H . . 4.690 4.354 4.273 4.418 . 0 0 "[ . 1]" 1
699 1 41 ARG H 1 43 VAL QG . . 5.090 4.578 4.259 4.986 . 0 0 "[ . 1]" 1
700 1 41 ARG H 1 88 LEU QD . . 4.720 3.965 3.562 4.470 . 0 0 "[ . 1]" 1
701 1 41 ARG HA 1 41 ARG QG . . 3.740 2.481 2.300 2.555 . 0 0 "[ . 1]" 1
702 1 41 ARG HA 1 42 ILE H . . 2.870 2.162 2.134 2.187 . 0 0 "[ . 1]" 1
703 1 41 ARG HA 1 42 ILE HB . . 5.120 4.700 4.660 4.741 . 0 0 "[ . 1]" 1
704 1 41 ARG HA 1 87 LEU QD . . 5.440 5.153 4.496 5.828 0.388 6 0 "[ . 1]" 1
705 1 41 ARG HA 1 88 LEU HA . . 3.610 2.676 2.222 3.373 . 0 0 "[ . 1]" 1
706 1 41 ARG HA 1 88 LEU QD . . 3.520 2.544 2.216 3.001 . 0 0 "[ . 1]" 1
707 1 41 ARG HA 1 89 PHE H . . 4.410 3.292 3.087 3.559 . 0 0 "[ . 1]" 1
708 1 41 ARG HA 1 89 PHE QE . . 4.650 5.163 4.632 5.875 1.225 6 4 "[ *- .+ *]" 1
709 1 41 ARG QB 1 41 ARG QD . . 3.370 2.122 2.087 2.159 . 0 0 "[ . 1]" 1
710 1 41 ARG QB 1 42 ILE H . . 3.590 3.668 3.604 3.740 0.150 2 0 "[ . 1]" 1
711 1 41 ARG QB 1 88 LEU HA . . 4.300 3.800 3.258 4.430 0.130 4 0 "[ . 1]" 1
712 1 41 ARG QD 1 42 ILE H . . 4.390 4.310 2.721 4.790 0.400 10 0 "[ . 1]" 1
713 1 41 ARG QD 1 42 ILE MD . . 5.500 6.109 4.932 6.502 1.002 3 8 "[ +**-****]" 1
714 1 41 ARG QD 1 43 VAL H . . 5.500 5.063 3.515 6.023 0.523 10 1 "[ . +]" 1
715 1 41 ARG QD 1 43 VAL HA . . 4.030 3.955 2.923 5.083 1.053 10 2 "[ - . +]" 1
716 1 41 ARG QD 1 43 VAL QG . . 3.720 2.986 2.226 3.584 . 0 0 "[ . 1]" 1
717 1 41 ARG QD 1 87 LEU QD . . 4.530 4.696 3.558 6.096 1.566 6 4 "[ * .+- *]" 1
718 1 41 ARG QD 1 88 LEU QD . . 4.390 3.010 2.326 3.751 . 0 0 "[ . 1]" 1
719 1 41 ARG QG 1 42 ILE H . . 4.180 2.622 2.370 3.308 . 0 0 "[ . 1]" 1
720 1 42 ILE H 1 42 ILE HB . . 3.080 2.551 2.501 2.589 . 0 0 "[ . 1]" 1
721 1 42 ILE H 1 42 ILE MD . . 3.160 3.262 3.121 3.409 0.249 4 0 "[ . 1]" 1
722 1 42 ILE H 1 42 ILE MG . . 3.830 3.786 3.777 3.793 . 0 0 "[ . 1]" 1
723 1 42 ILE H 1 43 VAL H . . 4.810 4.409 4.279 4.523 . 0 0 "[ . 1]" 1
724 1 42 ILE H 1 44 ASP H . . 5.500 6.253 5.958 6.481 0.981 7 9 "[** ***+-**]" 1
725 1 42 ILE H 1 87 LEU QD . . 3.870 3.810 3.294 4.364 0.494 6 0 "[ . 1]" 1
726 1 42 ILE H 1 88 LEU HA . . 5.500 3.682 3.125 4.281 . 0 0 "[ . 1]" 1
727 1 42 ILE H 1 89 PHE QD . . 5.340 3.514 3.187 4.033 . 0 0 "[ . 1]" 1
728 1 42 ILE H 1 89 PHE QE . . 4.140 3.872 3.419 4.575 0.435 6 0 "[ . 1]" 1
729 1 42 ILE H 1 89 PHE HZ . . 5.500 6.244 5.817 6.846 1.346 6 8 "[***-.+** *]" 1
730 1 42 ILE HA 1 42 ILE MD . . 3.840 2.081 2.032 2.128 . 0 0 "[ . 1]" 1
731 1 42 ILE HA 1 42 ILE MG . . 3.220 2.377 2.340 2.408 . 0 0 "[ . 1]" 1
732 1 42 ILE HA 1 43 VAL H . . 2.870 2.168 2.152 2.189 . 0 0 "[ . 1]" 1
733 1 42 ILE HA 1 43 VAL QG . . 3.960 3.567 3.455 3.662 . 0 0 "[ . 1]" 1
734 1 42 ILE HA 1 44 ASP H . . 3.680 3.933 3.671 4.138 0.458 9 0 "[ . 1]" 1
735 1 42 ILE HB 1 42 ILE MD . . 3.390 3.237 3.232 3.241 . 0 0 "[ . 1]" 1
736 1 42 ILE HB 1 87 LEU QD . . 3.640 2.271 1.890 2.615 . 0 0 "[ . 1]" 1
737 1 42 ILE HB 1 89 PHE HZ . . 5.500 5.464 5.132 5.959 0.459 6 0 "[ . 1]" 1
738 1 42 ILE MD 1 43 VAL H . . 5.500 3.833 3.741 3.947 . 0 0 "[ . 1]" 1
739 1 42 ILE MD 1 63 TYR QE . . 3.440 3.617 2.877 4.202 0.762 1 2 "[+ .- 1]" 1
740 1 42 ILE MD 1 70 LEU QD . . 3.330 4.092 3.326 4.411 1.081 3 7 "[* + *- ***]" 1
741 1 42 ILE MD 1 89 PHE HZ . . 3.440 5.021 4.775 5.398 1.958 10 10 [****-****+] 1
742 1 42 ILE QG 1 63 TYR QE . . 4.380 3.507 3.049 4.040 . 0 0 "[ . 1]" 1
743 1 42 ILE QG 1 70 LEU QD . . 4.450 4.450 3.756 5.024 0.574 5 2 "[ + -1]" 1
744 1 42 ILE MG 1 43 VAL H . . 3.560 2.943 2.557 3.177 . 0 0 "[ . 1]" 1
745 1 42 ILE MG 1 44 ASP H . . 2.880 2.938 2.561 3.185 0.305 6 0 "[ . 1]" 1
746 1 42 ILE MG 1 44 ASP HA . . 4.280 3.766 3.633 3.931 . 0 0 "[ . 1]" 1
747 1 42 ILE MG 1 45 PRO HA . . 2.940 2.557 2.290 2.940 0.000 7 0 "[ . 1]" 1
748 1 42 ILE MG 1 45 PRO HB2 . . 4.120 4.227 3.723 4.683 0.563 10 1 "[ . +]" 1
749 1 42 ILE MG 1 47 GLY H . . 5.400 5.710 5.211 6.153 0.753 7 3 "[ *.-+ 1]" 1
750 1 42 ILE MG 1 48 LEU H . . 4.540 4.679 3.935 5.065 0.525 7 1 "[ . + 1]" 1
751 1 42 ILE MG 1 63 TYR QD . . 4.400 4.201 3.816 4.679 0.279 10 0 "[ . 1]" 1
752 1 42 ILE MG 1 63 TYR QE . . 3.780 3.248 2.787 4.055 0.275 1 0 "[ . 1]" 1
753 1 43 VAL H 1 43 VAL HB . . 3.080 2.582 2.545 2.612 . 0 0 "[ . 1]" 1
754 1 43 VAL H 1 43 VAL QG . . 2.740 2.233 2.066 2.426 . 0 0 "[ . 1]" 1
755 1 43 VAL H 1 44 ASP H . . 2.920 2.332 2.139 2.437 . 0 0 "[ . 1]" 1
756 1 43 VAL H 1 44 ASP QB . . 5.230 4.589 4.363 4.676 . 0 0 "[ . 1]" 1
757 1 43 VAL HA 1 43 VAL QG . . 2.750 2.134 2.127 2.144 . 0 0 "[ . 1]" 1
758 1 43 VAL HB 1 44 ASP H . . 3.190 2.519 2.375 2.670 . 0 0 "[ . 1]" 1
759 1 43 VAL HB 1 44 ASP QB . . 4.540 3.505 3.415 3.587 . 0 0 "[ . 1]" 1
760 1 43 VAL QG 1 44 ASP H . . 3.850 3.195 3.114 3.282 . 0 0 "[ . 1]" 1
761 1 43 VAL QG 1 44 ASP HA . . 4.430 3.913 3.765 4.018 . 0 0 "[ . 1]" 1
762 1 43 VAL QG 1 44 ASP QB . . 3.750 3.032 2.891 3.122 . 0 0 "[ . 1]" 1
763 1 44 ASP H 1 44 ASP QB . . 3.350 2.645 2.556 2.708 . 0 0 "[ . 1]" 1
764 1 44 ASP H 1 45 PRO HA . . 4.980 4.678 4.543 4.814 . 0 0 "[ . 1]" 1
765 1 44 ASP H 1 47 GLY H . . 5.500 5.408 5.059 5.593 0.093 7 0 "[ . 1]" 1
766 1 44 ASP HA 1 45 PRO QG . . 4.180 3.781 3.708 3.826 . 0 0 "[ . 1]" 1
767 1 44 ASP HA 1 46 ASN H . . 4.270 3.585 3.427 3.829 . 0 0 "[ . 1]" 1
768 1 44 ASP HA 1 47 GLY H . . 4.820 4.475 4.239 4.793 . 0 0 "[ . 1]" 1
769 1 44 ASP HA 1 87 LEU QD . . 5.110 4.658 4.043 5.702 0.592 6 1 "[ .+ 1]" 1
770 1 44 ASP QB 1 45 PRO HA . . 5.500 4.950 4.914 5.010 . 0 0 "[ . 1]" 1
771 1 44 ASP QB 1 45 PRO QD . . 4.260 3.698 3.603 3.745 . 0 0 "[ . 1]" 1
772 1 44 ASP QB 1 47 GLY H . . 4.330 3.105 2.659 3.328 . 0 0 "[ . 1]" 1
773 1 44 ASP QB 1 48 LEU H . . 4.480 3.702 3.325 3.969 . 0 0 "[ . 1]" 1
774 1 44 ASP QB 1 48 LEU QB . . 5.500 4.441 4.156 4.699 . 0 0 "[ . 1]" 1
775 1 45 PRO HA 1 48 LEU H . . 4.440 3.768 3.568 3.944 . 0 0 "[ . 1]" 1
776 1 45 PRO HA 1 48 LEU QB . . 3.640 2.844 2.522 3.399 . 0 0 "[ . 1]" 1
777 1 45 PRO HA 1 49 ALA H . . 4.880 4.055 3.787 4.603 . 0 0 "[ . 1]" 1
778 1 45 PRO HA 1 63 TYR QB . . 4.860 4.105 3.369 5.276 0.416 6 0 "[ . 1]" 1
779 1 45 PRO HA 1 63 TYR QD . . 3.910 3.440 3.056 3.993 0.083 6 0 "[ . 1]" 1
780 1 45 PRO HA 1 63 TYR QE . . 3.900 3.895 3.083 4.890 0.990 1 2 "[+ .- 1]" 1
781 1 45 PRO HA 1 87 LEU QD . . 4.890 4.553 3.856 5.385 0.495 4 0 "[ . 1]" 1
782 1 45 PRO HB2 1 46 ASN H . . 3.460 3.090 2.811 3.721 0.261 7 0 "[ . 1]" 1
783 1 45 PRO HB3 1 87 LEU QD . . 4.210 3.721 3.086 4.617 0.407 4 0 "[ . 1]" 1
784 1 45 PRO QD 1 46 ASN H . . 3.180 2.459 2.335 2.614 . 0 0 "[ . 1]" 1
785 1 45 PRO QD 1 87 LEU QD . . 3.260 3.273 2.589 4.211 0.951 4 2 "[ +.- 1]" 1
786 1 45 PRO QG 1 46 ASN H . . 3.710 3.572 2.717 3.823 0.113 1 0 "[ . 1]" 1
787 1 45 PRO QG 1 87 LEU QD . . 3.150 2.664 1.933 3.475 0.325 7 0 "[ . 1]" 1
788 1 46 ASN H 1 46 ASN QB . . 2.810 2.382 2.244 2.553 . 0 0 "[ . 1]" 1
789 1 46 ASN H 1 47 GLY H . . 3.060 2.560 2.446 2.642 . 0 0 "[ . 1]" 1
790 1 46 ASN H 1 47 GLY QA . . 4.690 4.424 4.327 4.488 . 0 0 "[ . 1]" 1
791 1 46 ASN H 1 48 LEU H . . 4.430 3.983 3.807 4.201 . 0 0 "[ . 1]" 1
792 1 46 ASN HA 1 49 ALA MB . . 3.500 2.952 2.686 3.248 . 0 0 "[ . 1]" 1
793 1 46 ASN HA 1 63 TYR QB . . 3.540 3.984 3.398 5.478 1.938 6 4 "[ * -+* 1]" 1
794 1 46 ASN QB 1 47 GLY H . . 3.260 2.418 2.272 2.563 . 0 0 "[ . 1]" 1
795 1 46 ASN QB 1 49 ALA MB . . 4.610 4.529 4.298 4.812 0.202 5 0 "[ . 1]" 1
796 1 47 GLY H 1 47 GLY QA . . 2.780 2.198 2.191 2.204 . 0 0 "[ . 1]" 1
797 1 47 GLY H 1 48 LEU H . . 3.420 2.723 2.607 2.808 . 0 0 "[ . 1]" 1
798 1 47 GLY H 1 48 LEU QB . . 4.960 4.434 4.279 4.546 . 0 0 "[ . 1]" 1
799 1 47 GLY H 1 49 ALA H . . 4.630 4.333 4.201 4.407 . 0 0 "[ . 1]" 1
800 1 47 GLY H 1 50 ARG H . . 5.490 4.652 4.571 4.765 . 0 0 "[ . 1]" 1
801 1 47 GLY QA 1 50 ARG H . . 4.550 3.352 3.281 3.551 . 0 0 "[ . 1]" 1
802 1 47 GLY QA 1 50 ARG QB . . 3.890 2.467 2.191 2.728 . 0 0 "[ . 1]" 1
803 1 47 GLY QA 1 50 ARG QG . . 4.980 3.856 3.675 4.047 . 0 0 "[ . 1]" 1
804 1 48 LEU H 1 48 LEU QB . . 3.190 2.203 2.084 2.243 . 0 0 "[ . 1]" 1
805 1 48 LEU H 1 48 LEU QD . . 4.120 3.667 3.364 3.747 . 0 0 "[ . 1]" 1
806 1 48 LEU H 1 48 LEU HG . . 4.980 4.447 4.082 4.494 . 0 0 "[ . 1]" 1
807 1 48 LEU H 1 49 ALA H . . 3.290 2.749 2.699 2.801 . 0 0 "[ . 1]" 1
808 1 48 LEU H 1 50 ARG H . . 4.310 3.999 3.862 4.135 . 0 0 "[ . 1]" 1
809 1 48 LEU H 1 66 MET ME . . 5.470 5.396 5.067 5.948 0.478 4 0 "[ . 1]" 1
810 1 48 LEU HA 1 48 LEU QD . . 2.800 2.069 1.853 2.362 . 0 0 "[ . 1]" 1
811 1 48 LEU HA 1 51 LEU QD . . 3.400 2.602 2.183 3.186 . 0 0 "[ . 1]" 1
812 1 48 LEU QB 1 49 ALA H . . 3.150 2.428 2.361 2.527 . 0 0 "[ . 1]" 1
813 1 48 LEU QB 1 63 TYR QE . . 4.550 4.218 3.086 5.455 0.905 1 2 "[+ .- 1]" 1
814 1 48 LEU QD 1 49 ALA H . . 5.000 3.783 3.621 3.912 . 0 0 "[ . 1]" 1
815 1 48 LEU QD 1 49 ALA MB . . 5.440 4.213 4.036 4.383 . 0 0 "[ . 1]" 1
816 1 48 LEU QD 1 50 ARG H . . 5.080 5.121 4.812 5.298 0.218 7 0 "[ . 1]" 1
817 1 48 LEU QD 1 51 LEU H . . 4.510 4.571 4.113 4.815 0.305 7 0 "[ . 1]" 1
818 1 48 LEU QD 1 51 LEU QB . . 4.050 3.306 2.858 3.738 . 0 0 "[ . 1]" 1
819 1 48 LEU QD 1 51 LEU QD . . 3.170 2.906 2.135 3.493 0.323 5 0 "[ . 1]" 1
820 1 48 LEU QD 1 52 TRP H . . 4.090 4.172 3.473 4.483 0.393 1 0 "[ . 1]" 1
821 1 48 LEU QD 1 52 TRP HE3 . . 5.440 5.039 4.560 5.618 0.178 7 0 "[ . 1]" 1
822 1 48 LEU QD 1 63 TYR QE . . 3.520 2.966 1.575 5.374 1.854 6 1 "[ .+ 1]" 1
823 1 48 LEU QD 1 66 MET ME . . 2.660 2.643 1.904 3.079 0.419 1 0 "[ . 1]" 1
824 1 48 LEU HG 1 52 TRP H . . 5.110 5.107 4.421 6.556 1.446 6 2 "[ .+ -]" 1
825 1 49 ALA H 1 49 ALA MB . . 2.710 2.237 2.228 2.243 . 0 0 "[ . 1]" 1
826 1 49 ALA H 1 50 ARG H . . 3.140 2.597 2.530 2.699 . 0 0 "[ . 1]" 1
827 1 49 ALA H 1 52 TRP QB . . 4.940 4.992 4.724 5.239 0.299 7 0 "[ . 1]" 1
828 1 49 ALA H 1 63 TYR QB . . 4.780 4.572 3.997 5.867 1.087 6 1 "[ .+ 1]" 1
829 1 49 ALA H 1 63 TYR QD . . 4.300 4.121 3.136 5.313 1.013 6 2 "[- .+ 1]" 1
830 1 49 ALA H 1 66 MET ME . . 4.050 3.704 3.421 4.356 0.306 4 0 "[ . 1]" 1
831 1 49 ALA HA 1 52 TRP H . . 4.440 3.512 3.394 3.683 . 0 0 "[ . 1]" 1
832 1 49 ALA HA 1 52 TRP QB . . 4.000 2.760 2.495 3.020 . 0 0 "[ . 1]" 1
833 1 49 ALA HA 1 61 MET QG . . 4.680 3.557 3.086 4.761 0.081 1 0 "[ . 1]" 1
834 1 49 ALA HA 1 66 MET ME . . 3.640 2.225 1.820 2.831 . 0 0 "[ . 1]" 1
835 1 49 ALA MB 1 50 ARG H . . 3.230 2.623 2.543 2.696 . 0 0 "[ . 1]" 1
836 1 49 ALA MB 1 50 ARG QD . . 4.960 4.913 4.554 5.697 0.737 5 1 "[ + 1]" 1
837 1 49 ALA MB 1 52 TRP QB . . 4.010 3.970 3.796 4.217 0.207 6 0 "[ . 1]" 1
838 1 49 ALA MB 1 61 MET HA . . 4.000 4.751 4.347 5.138 1.138 2 8 "[ +**** *-*]" 1
839 1 49 ALA MB 1 61 MET QB . . 3.650 3.791 3.383 4.286 0.636 5 1 "[ + 1]" 1
840 1 49 ALA MB 1 61 MET ME . . 3.380 3.225 1.974 4.496 1.116 2 1 "[ + . 1]" 1
841 1 49 ALA MB 1 61 MET QG . . 4.070 2.579 2.178 3.922 . 0 0 "[ . 1]" 1
842 1 49 ALA MB 1 62 THR H . . 4.510 4.059 3.603 4.630 0.120 6 0 "[ . 1]" 1
843 1 49 ALA MB 1 62 THR HA . . 3.250 2.832 2.312 3.300 0.050 6 0 "[ . 1]" 1
844 1 49 ALA MB 1 63 TYR HA . . 3.530 2.582 2.290 3.506 . 0 0 "[ . 1]" 1
845 1 49 ALA MB 1 63 TYR QD . . 4.280 3.055 2.428 3.963 . 0 0 "[ . 1]" 1
846 1 50 ARG H 1 50 ARG HB2 . . 3.610 2.417 2.299 2.589 . 0 0 "[ . 1]" 1
847 1 50 ARG H 1 50 ARG QB . . 2.800 2.224 2.183 2.276 . 0 0 "[ . 1]" 1
848 1 50 ARG H 1 50 ARG HB3 . . 3.610 2.625 2.449 2.721 . 0 0 "[ . 1]" 1
849 1 50 ARG H 1 50 ARG QD . . 4.060 4.156 3.911 4.399 0.339 7 0 "[ . 1]" 1
850 1 50 ARG H 1 51 LEU QD . . 5.440 4.741 4.632 4.822 . 0 0 "[ . 1]" 1
851 1 50 ARG H 1 52 TRP H . . 4.420 4.244 4.132 4.385 . 0 0 "[ . 1]" 1
852 1 50 ARG H 1 61 MET QB . . 5.450 5.441 4.876 5.911 0.461 5 0 "[ . 1]" 1
853 1 50 ARG HA 1 50 ARG HG2 . . 3.740 3.673 3.131 3.767 0.027 2 0 "[ . 1]" 1
854 1 50 ARG HA 1 50 ARG QG . . 3.120 2.802 2.490 3.089 . 0 0 "[ . 1]" 1
855 1 50 ARG HA 1 50 ARG HG3 . . 3.740 2.911 2.614 3.290 . 0 0 "[ . 1]" 1
856 1 50 ARG HA 1 53 GLY H . . 4.580 3.517 3.237 3.796 . 0 0 "[ . 1]" 1
857 1 50 ARG QB 1 50 ARG QD . . 2.910 2.460 2.096 2.811 . 0 0 "[ . 1]" 1
858 1 50 ARG QB 1 54 ASN QD . . 4.940 4.034 3.667 4.890 . 0 0 "[ . 1]" 1
859 1 50 ARG QD 1 50 ARG HG2 . . 2.800 2.334 2.248 2.399 . 0 0 "[ . 1]" 1
860 1 50 ARG QD 1 50 ARG HG3 . . 2.800 2.293 2.168 2.447 . 0 0 "[ . 1]" 1
861 1 50 ARG QD 1 51 LEU H . . 4.980 4.735 4.326 4.924 . 0 0 "[ . 1]" 1
862 1 50 ARG QD 1 54 ASN QD . . 4.540 3.399 2.014 4.401 . 0 0 "[ . 1]" 1
863 1 50 ARG QG 1 54 ASN HB2 . . 5.120 4.187 3.078 4.959 . 0 0 "[ . 1]" 1
864 1 50 ARG QG 1 54 ASN QD . . 4.060 2.342 1.876 2.932 . 0 0 "[ . 1]" 1
865 1 50 ARG HG2 1 54 ASN QD . . 4.810 3.400 2.931 4.153 . 0 0 "[ . 1]" 1
866 1 50 ARG HG3 1 54 ASN QD . . 4.810 2.471 1.898 3.899 . 0 0 "[ . 1]" 1
867 1 51 LEU H 1 51 LEU HA . . 2.940 2.814 2.799 2.835 . 0 0 "[ . 1]" 1
868 1 51 LEU H 1 51 LEU QB . . 2.690 2.446 2.417 2.482 . 0 0 "[ . 1]" 1
869 1 51 LEU H 1 51 LEU QD . . 3.580 3.049 2.991 3.120 . 0 0 "[ . 1]" 1
870 1 51 LEU H 1 51 LEU HG . . 3.560 2.273 2.187 2.389 . 0 0 "[ . 1]" 1
871 1 51 LEU H 1 52 TRP H . . 3.290 2.717 2.620 2.794 . 0 0 "[ . 1]" 1
872 1 51 LEU H 1 53 GLY H . . 4.460 4.098 3.975 4.238 . 0 0 "[ . 1]" 1
873 1 51 LEU HA 1 51 LEU QD . . 3.140 1.998 1.954 2.034 . 0 0 "[ . 1]" 1
874 1 51 LEU HA 1 51 LEU HG . . 3.670 3.107 3.042 3.143 . 0 0 "[ . 1]" 1
875 1 51 LEU HA 1 54 ASN H . . 4.090 3.602 3.385 3.799 . 0 0 "[ . 1]" 1
876 1 51 LEU HA 1 54 ASN HB2 . . 3.820 3.024 2.447 3.366 . 0 0 "[ . 1]" 1
877 1 51 LEU HA 1 54 ASN QD . . 4.270 3.254 2.575 4.130 . 0 0 "[ . 1]" 1
878 1 51 LEU QB 1 51 LEU QD . . 2.730 1.947 1.942 1.958 . 0 0 "[ . 1]" 1
879 1 51 LEU QB 1 52 TRP H . . 3.260 2.426 2.307 2.582 . 0 0 "[ . 1]" 1
880 1 51 LEU QB 1 54 ASN HB2 . . 4.720 4.782 4.233 5.309 0.589 5 1 "[ + 1]" 1
881 1 51 LEU QB 1 54 ASN QD . . 4.780 5.000 4.290 5.772 0.992 5 3 "[ + - *]" 1
882 1 51 LEU QD 1 52 TRP H . . 4.230 4.006 3.936 4.095 . 0 0 "[ . 1]" 1
883 1 51 LEU QD 1 54 ASN HB2 . . 4.630 3.996 3.518 4.272 . 0 0 "[ . 1]" 1
884 1 51 LEU QD 1 54 ASN HB3 . . 5.150 4.919 3.732 5.397 0.247 3 0 "[ . 1]" 1
885 1 51 LEU QD 1 54 ASN QD . . 4.500 3.389 2.447 4.404 . 0 0 "[ . 1]" 1
886 1 51 LEU HG 1 52 TRP H . . 5.330 4.289 4.198 4.381 . 0 0 "[ . 1]" 1
887 1 52 TRP H 1 52 TRP QB . . 3.220 2.240 2.224 2.265 . 0 0 "[ . 1]" 1
888 1 52 TRP H 1 52 TRP HD1 . . 5.080 4.999 4.908 5.049 . 0 0 "[ . 1]" 1
889 1 52 TRP H 1 52 TRP HE3 . . 4.800 4.618 4.526 4.766 . 0 0 "[ . 1]" 1
890 1 52 TRP H 1 53 GLY H . . 3.740 2.680 2.635 2.741 . 0 0 "[ . 1]" 1
891 1 52 TRP H 1 54 ASN HB2 . . 5.340 5.426 4.991 5.603 0.263 3 0 "[ . 1]" 1
892 1 52 TRP H 1 55 HIS H . . 5.420 4.765 4.641 4.945 . 0 0 "[ . 1]" 1
893 1 52 TRP H 1 55 HIS QB . . 5.500 4.745 4.487 5.125 . 0 0 "[ . 1]" 1
894 1 52 TRP H 1 66 MET ME . . 4.160 3.963 3.516 4.472 0.312 3 0 "[ . 1]" 1
895 1 52 TRP HA 1 52 TRP HE3 . . 3.540 2.634 2.216 2.912 . 0 0 "[ . 1]" 1
896 1 52 TRP HA 1 52 TRP HZ3 . . 4.660 4.826 4.495 5.040 0.380 9 0 "[ . 1]" 1
897 1 52 TRP HA 1 55 HIS H . . 4.020 3.628 3.365 4.210 0.190 5 0 "[ . 1]" 1
898 1 52 TRP HA 1 55 HIS QB . . 4.410 2.831 2.304 3.638 . 0 0 "[ . 1]" 1
899 1 52 TRP QB 1 53 GLY H . . 4.620 2.534 2.432 2.604 . 0 0 "[ . 1]" 1
900 1 52 TRP QB 1 61 MET ME . . 4.010 3.193 2.091 3.992 . 0 0 "[ . 1]" 1
901 1 52 TRP QB 1 66 MET ME . . 3.350 2.522 2.152 2.798 . 0 0 "[ . 1]" 1
902 1 52 TRP HD1 1 61 MET ME . . 3.250 1.916 1.782 2.378 . 0 0 "[ . 1]" 1
903 1 52 TRP HD1 1 61 MET QG . . 3.960 2.743 1.929 4.140 0.180 2 0 "[ . 1]" 1
904 1 52 TRP HD1 1 66 MET HA . . 5.130 5.268 4.274 6.044 0.914 8 2 "[ . +-1]" 1
905 1 52 TRP HE1 1 56 LYS QD . . 4.830 3.733 2.779 5.590 0.760 6 1 "[ .+ 1]" 1
906 1 52 TRP HE1 1 61 MET ME . . 3.360 3.167 2.532 3.702 0.342 5 0 "[ . 1]" 1
907 1 52 TRP HE1 1 61 MET QG . . 4.910 4.849 4.036 6.096 1.186 2 3 "[ + *- 1]" 1
908 1 52 TRP HE1 1 66 MET HA . . 4.680 5.370 4.533 6.009 1.329 8 7 "[* -.**+**]" 1
909 1 52 TRP HE1 1 66 MET ME . . 4.690 4.762 4.007 5.306 0.616 7 1 "[ . + 1]" 1
910 1 52 TRP HE1 1 66 MET QG . . 4.490 5.585 4.509 6.047 1.557 4 8 "[* +-*****]" 1
911 1 52 TRP HE1 1 69 ALA MB . . 5.480 5.040 3.930 5.793 0.313 8 0 "[ . 1]" 1
912 1 52 TRP HH2 1 56 LYS QD . . 3.900 4.141 2.956 5.516 1.616 7 5 "[ -**+ *1]" 1
913 1 52 TRP HH2 1 56 LYS QE . . 4.350 4.523 3.368 6.005 1.655 5 3 "[ * +- 1]" 1
914 1 52 TRP HZ2 1 56 LYS QD . . 4.050 3.397 2.698 4.420 0.370 6 0 "[ . 1]" 1
915 1 52 TRP HZ2 1 56 LYS QE . . 4.300 3.891 2.875 5.053 0.753 6 3 "[ * -+ 1]" 1
916 1 52 TRP HZ2 1 61 MET ME . . 5.050 5.385 4.831 6.001 0.951 4 3 "[ - +* 1]" 1
917 1 53 GLY H 1 54 ASN H . . 3.710 2.755 2.556 2.849 . 0 0 "[ . 1]" 1
918 1 53 GLY H 1 54 ASN HA . . 5.500 5.343 5.172 5.423 . 0 0 "[ . 1]" 1
919 1 53 GLY H 1 61 MET QB . . 4.400 3.562 3.173 4.106 . 0 0 "[ . 1]" 1
920 1 53 GLY H 1 61 MET ME . . 4.610 4.409 3.315 5.021 0.411 3 0 "[ . 1]" 1
921 1 53 GLY H 1 61 MET HG2 . . 4.850 3.324 2.375 5.076 0.226 1 0 "[ . 1]" 1
922 1 53 GLY H 1 61 MET QG . . 4.120 3.066 2.341 3.950 . 0 0 "[ . 1]" 1
923 1 53 GLY H 1 61 MET HG3 . . 4.850 4.040 3.424 5.307 0.457 2 0 "[ . 1]" 1
924 1 53 GLY H 1 66 MET ME . . 5.500 4.805 4.500 5.131 . 0 0 "[ . 1]" 1
925 1 53 GLY QA 1 58 ARG QG . . 4.300 3.340 2.117 4.325 0.025 9 0 "[ . 1]" 1
926 1 53 GLY QA 1 61 MET QB . . 3.840 2.319 2.005 2.696 . 0 0 "[ . 1]" 1
927 1 53 GLY QA 1 61 MET ME . . 3.990 4.079 3.250 4.704 0.714 6 1 "[ .+ 1]" 1
928 1 53 GLY QA 1 61 MET QG . . 4.200 2.615 1.787 3.802 . 0 0 "[ . 1]" 1
929 1 53 GLY HA2 1 61 MET ME . . 4.680 4.401 3.400 5.046 0.366 6 0 "[ . 1]" 1
930 1 53 GLY HA3 1 61 MET ME . . 4.680 4.854 3.994 5.619 0.939 6 2 "[ .+ -]" 1
931 1 54 ASN H 1 54 ASN HB2 . . 3.340 2.393 2.262 2.493 . 0 0 "[ . 1]" 1
932 1 54 ASN H 1 54 ASN HB3 . . 3.550 3.520 2.812 3.609 0.059 2 0 "[ . 1]" 1
933 1 54 ASN H 1 54 ASN QD . . 4.330 3.451 2.419 4.363 0.033 5 0 "[ . 1]" 1
934 1 54 ASN HA 1 54 ASN QD . . 4.360 3.914 3.477 4.078 . 0 0 "[ . 1]" 1
935 1 54 ASN HB3 1 54 ASN QD . . 3.440 2.871 2.719 3.288 . 0 0 "[ . 1]" 1
936 1 54 ASN HB3 1 55 HIS H . . 4.070 3.526 2.525 3.805 . 0 0 "[ . 1]" 1
937 1 55 HIS H 1 55 HIS QB . . 2.870 2.236 2.191 2.274 . 0 0 "[ . 1]" 1
938 1 55 HIS H 1 56 LYS H . . 4.820 2.641 2.496 2.796 . 0 0 "[ . 1]" 1
939 1 55 HIS QB 1 56 LYS H . . 4.400 2.760 2.613 2.930 . 0 0 "[ . 1]" 1
940 1 56 LYS H 1 56 LYS QG . . 5.030 3.143 2.551 4.159 . 0 0 "[ . 1]" 1
941 1 56 LYS HA 1 56 LYS QD . . 3.720 3.781 1.920 4.241 0.521 7 1 "[ . + 1]" 1
942 1 56 LYS HA 1 56 LYS QE . . 4.740 3.961 1.758 4.590 . 0 0 "[ . 1]" 1
943 1 57 ASN H 1 58 ARG H . . 3.940 2.840 2.646 3.011 . 0 0 "[ . 1]" 1
944 1 57 ASN QB 1 57 ASN QD . . 2.780 2.147 2.106 2.198 . 0 0 "[ . 1]" 1
945 1 57 ASN HB2 1 57 ASN HD22 . . 3.800 3.707 3.460 4.049 0.249 3 0 "[ . 1]" 1
946 1 57 ASN HB3 1 57 ASN HD22 . . 3.800 3.661 3.477 4.057 0.257 10 0 "[ . 1]" 1
947 1 58 ARG H 1 58 ARG QG . . 4.300 3.545 2.136 4.152 . 0 0 "[ . 1]" 1
948 1 58 ARG HA 1 58 ARG QG . . 3.930 2.972 2.378 3.404 . 0 0 "[ . 1]" 1
949 1 58 ARG QB 1 59 THR HA . . 4.960 4.770 4.639 4.958 . 0 0 "[ . 1]" 1
950 1 58 ARG QG 1 59 THR HA . . 4.640 4.400 3.595 4.836 0.196 6 0 "[ . 1]" 1
951 1 58 ARG QG 1 61 MET QB . . 5.090 2.940 1.890 3.631 . 0 0 "[ . 1]" 1
952 1 59 THR HA 1 59 THR MG . . 3.300 2.268 2.170 2.335 . 0 0 "[ . 1]" 1
953 1 59 THR HA 1 60 ASN HA . . 4.930 4.444 4.333 4.604 . 0 0 "[ . 1]" 1
954 1 59 THR HA 1 60 ASN QB . . 4.800 4.427 4.158 4.634 . 0 0 "[ . 1]" 1
955 1 59 THR HA 1 61 MET H . . 4.540 4.140 3.064 4.843 0.303 7 0 "[ . 1]" 1
956 1 59 THR HB 1 60 ASN H . . 4.490 3.191 2.372 4.271 . 0 0 "[ . 1]" 1
957 1 59 THR HB 1 60 ASN HA . . 5.420 4.852 4.164 5.841 0.421 3 0 "[ . 1]" 1
958 1 59 THR MG 1 60 ASN H . . 4.560 3.116 1.785 3.617 . 0 0 "[ . 1]" 1
959 1 60 ASN HA 1 60 ASN QB . . 2.780 2.395 2.356 2.430 . 0 0 "[ . 1]" 1
960 1 60 ASN HA 1 61 MET H . . 3.570 2.579 2.305 3.021 . 0 0 "[ . 1]" 1
961 1 60 ASN QB 1 60 ASN HD22 . . 3.670 3.279 3.207 3.482 . 0 0 "[ . 1]" 1
962 1 61 MET HA 1 61 MET ME . . 3.960 3.956 3.390 4.086 0.126 9 0 "[ . 1]" 1
963 1 61 MET HA 1 61 MET QG . . 3.530 2.914 2.409 3.054 . 0 0 "[ . 1]" 1
964 1 61 MET HA 1 62 THR H . . 3.050 2.148 2.095 2.213 . 0 0 "[ . 1]" 1
965 1 61 MET QB 1 62 THR H . . 3.830 3.799 3.564 3.956 0.126 6 0 "[ . 1]" 1
966 1 61 MET QB 1 62 THR HA . . 4.240 4.583 4.383 4.709 0.469 2 0 "[ . 1]" 1
967 1 61 MET QB 1 62 THR MG . . 5.500 5.047 4.841 5.301 . 0 0 "[ . 1]" 1
968 1 61 MET ME 1 61 MET HG2 . . 3.530 2.615 2.485 3.371 . 0 0 "[ . 1]" 1
969 1 61 MET ME 1 61 MET QG . . 2.950 2.241 2.218 2.335 . 0 0 "[ . 1]" 1
970 1 61 MET ME 1 61 MET HG3 . . 3.530 2.472 2.381 2.531 . 0 0 "[ . 1]" 1
971 1 61 MET QG 1 62 THR H . . 4.060 3.283 2.370 3.666 . 0 0 "[ . 1]" 1
972 1 61 MET HG2 1 62 THR H . . 4.910 4.513 3.550 5.078 0.168 10 0 "[ . 1]" 1
973 1 61 MET HG3 1 62 THR H . . 4.910 3.470 2.407 4.729 . 0 0 "[ . 1]" 1
974 1 62 THR H 1 62 THR MG . . 4.050 2.194 1.891 2.604 . 0 0 "[ . 1]" 1
975 1 62 THR H 1 65 LYS H . . 4.600 3.644 3.214 4.110 . 0 0 "[ . 1]" 1
976 1 62 THR H 1 65 LYS QB . . 3.980 3.054 2.331 3.605 . 0 0 "[ . 1]" 1
977 1 62 THR H 1 65 LYS QD . . 4.400 3.798 2.071 5.359 0.959 1 1 "[+ . 1]" 1
978 1 62 THR H 1 65 LYS QE . . 5.380 4.203 3.286 5.601 0.221 1 0 "[ . 1]" 1
979 1 62 THR H 1 66 MET H . . 5.500 4.721 4.157 5.162 . 0 0 "[ . 1]" 1
980 1 62 THR HA 1 62 THR MG . . 2.620 3.128 2.360 3.217 0.597 2 9 "[*+-** ****]" 1
981 1 62 THR HA 1 63 TYR HA . . 4.390 4.253 4.159 4.301 . 0 0 "[ . 1]" 1
982 1 62 THR HA 1 63 TYR QB . . 4.540 4.224 4.093 4.303 . 0 0 "[ . 1]" 1
983 1 62 THR HA 1 65 LYS QG . . 5.210 4.799 4.368 5.573 0.363 1 0 "[ . 1]" 1
984 1 62 THR MG 1 63 TYR H . . 4.570 3.406 3.033 3.710 . 0 0 "[ . 1]" 1
985 1 62 THR MG 1 63 TYR QB . . 4.010 4.477 4.077 4.912 0.902 6 4 "[ * .+ - *]" 1
986 1 62 THR MG 1 64 GLU H . . 4.470 2.564 2.051 4.223 . 0 0 "[ . 1]" 1
987 1 62 THR MG 1 64 GLU QG . . 4.210 2.896 1.827 4.014 . 0 0 "[ . 1]" 1
988 1 62 THR MG 1 65 LYS H . . 4.360 2.456 1.875 4.803 0.443 6 0 "[ . 1]" 1
989 1 62 THR MG 1 65 LYS QB . . 4.900 3.521 2.993 5.323 0.423 6 0 "[ . 1]" 1
990 1 62 THR MG 1 65 LYS QD . . 4.880 3.403 2.701 4.966 0.086 6 0 "[ . 1]" 1
991 1 62 THR MG 1 65 LYS QE . . 4.370 3.203 2.035 4.500 0.130 7 0 "[ . 1]" 1
992 1 62 THR MG 1 66 MET H . . 5.500 4.392 4.005 6.278 0.778 6 1 "[ .+ 1]" 1
993 1 63 TYR HA 1 63 TYR QD . . 3.470 2.656 2.419 2.815 . 0 0 "[ . 1]" 1
994 1 63 TYR HA 1 66 MET H . . 4.460 3.185 2.831 3.526 . 0 0 "[ . 1]" 1
995 1 63 TYR HA 1 66 MET QB . . 3.800 2.487 2.001 3.115 . 0 0 "[ . 1]" 1
996 1 63 TYR HA 1 66 MET ME . . 4.160 3.810 3.022 5.332 1.172 4 1 "[ +. 1]" 1
997 1 63 TYR QB 1 66 MET QB . . 5.300 4.121 3.663 4.643 . 0 0 "[ . 1]" 1
998 1 63 TYR QD 1 64 GLU H . . 4.770 4.082 3.675 4.397 . 0 0 "[ . 1]" 1
999 1 63 TYR QD 1 64 GLU HA . . 4.580 3.830 3.234 4.331 . 0 0 "[ . 1]" 1
1000 1 63 TYR QD 1 64 GLU QG . . 4.550 4.378 3.646 5.390 0.840 3 2 "[ -+ . 1]" 1
1001 1 63 TYR QD 1 66 MET H . . 5.500 4.998 4.591 5.253 . 0 0 "[ . 1]" 1
1002 1 63 TYR QD 1 66 MET QB . . 4.060 3.331 2.494 3.962 . 0 0 "[ . 1]" 1
1003 1 63 TYR QD 1 66 MET ME . . 3.630 3.817 2.945 4.510 0.880 2 3 "[ + *.- 1]" 1
1004 1 63 TYR QD 1 70 LEU QD . . 5.440 4.571 3.974 5.314 . 0 0 "[ . 1]" 1
1005 1 63 TYR QE 1 66 MET ME . . 4.270 4.459 3.621 5.180 0.910 6 3 "[*- .+ 1]" 1
1006 1 63 TYR QE 1 70 LEU QD . . 4.000 3.533 2.982 4.196 0.196 2 0 "[ . 1]" 1
1007 1 63 TYR QE 1 87 LEU QD . . 3.460 3.602 2.924 4.306 0.846 1 2 "[+ . - 1]" 1
1008 1 64 GLU H 1 64 GLU HB2 . . 3.760 2.775 2.430 3.601 . 0 0 "[ . 1]" 1
1009 1 64 GLU H 1 64 GLU HB3 . . 3.760 3.424 2.589 3.618 . 0 0 "[ . 1]" 1
1010 1 64 GLU H 1 64 GLU QG . . 3.930 2.185 1.782 2.926 . 0 0 "[ . 1]" 1
1011 1 64 GLU H 1 65 LYS H . . 3.980 2.667 2.593 2.777 . 0 0 "[ . 1]" 1
1012 1 64 GLU HA 1 64 GLU QG . . 3.080 2.713 2.338 3.455 0.375 2 0 "[ . 1]" 1
1013 1 64 GLU QG 1 65 LYS H . . 4.190 3.696 2.247 4.480 0.290 7 0 "[ . 1]" 1
1014 1 65 LYS H 1 65 LYS QB . . 2.750 2.500 2.360 2.696 . 0 0 "[ . 1]" 1
1015 1 65 LYS H 1 65 LYS QE . . 4.830 4.121 3.019 4.920 0.090 1 0 "[ . 1]" 1
1016 1 65 LYS H 1 65 LYS QG . . 3.150 2.174 1.844 2.476 . 0 0 "[ . 1]" 1
1017 1 65 LYS H 1 66 MET H . . 3.290 2.478 2.382 2.665 . 0 0 "[ . 1]" 1
1018 1 65 LYS HA 1 65 LYS QG . . 3.400 2.821 2.384 3.208 . 0 0 "[ . 1]" 1
1019 1 65 LYS QB 1 65 LYS QE . . 4.280 3.224 2.031 3.842 . 0 0 "[ . 1]" 1
1020 1 65 LYS QB 1 66 MET H . . 3.250 2.611 2.345 2.846 . 0 0 "[ . 1]" 1
1021 1 65 LYS QE 1 65 LYS HG2 . . 3.790 2.704 2.237 3.496 . 0 0 "[ . 1]" 1
1022 1 65 LYS QE 1 65 LYS HG3 . . 3.790 2.707 2.374 3.292 . 0 0 "[ . 1]" 1
1023 1 65 LYS QG 1 66 MET H . . 4.900 3.918 3.600 4.140 . 0 0 "[ . 1]" 1
1024 1 66 MET H 1 66 MET QB . . 3.360 2.240 2.197 2.255 . 0 0 "[ . 1]" 1
1025 1 66 MET H 1 66 MET ME . . 5.120 4.336 4.068 5.691 0.571 4 1 "[ +. 1]" 1
1026 1 66 MET H 1 66 MET QG . . 4.140 3.972 3.962 4.026 . 0 0 "[ . 1]" 1
1027 1 66 MET H 1 67 SER H . . 3.430 2.602 2.527 2.686 . 0 0 "[ . 1]" 1
1028 1 66 MET H 1 68 ARG H . . 4.630 4.237 4.040 4.392 . 0 0 "[ . 1]" 1
1029 1 66 MET HA 1 66 MET ME . . 4.630 3.846 3.763 4.078 . 0 0 "[ . 1]" 1
1030 1 66 MET HA 1 69 ALA H . . 3.860 3.433 3.303 3.621 . 0 0 "[ . 1]" 1
1031 1 66 MET HA 1 69 ALA MB . . 3.450 3.041 2.455 3.532 0.082 5 0 "[ . 1]" 1
1032 1 66 MET ME 1 66 MET QG . . 3.010 2.402 2.216 2.446 . 0 0 "[ . 1]" 1
1033 1 66 MET QG 1 69 ALA MB . . 4.410 3.309 3.174 3.497 . 0 0 "[ . 1]" 1
1034 1 66 MET QG 1 70 LEU MD1 . . 4.570 2.975 2.150 4.313 . 0 0 "[ . 1]" 1
1035 1 66 MET QG 1 70 LEU QD . . 3.860 2.228 1.917 2.479 . 0 0 "[ . 1]" 1
1036 1 66 MET QG 1 70 LEU MD2 . . 4.570 2.810 1.920 3.731 . 0 0 "[ . 1]" 1
1037 1 67 SER H 1 67 SER QB . . 3.590 2.413 2.231 2.603 . 0 0 "[ . 1]" 1
1038 1 67 SER H 1 68 ARG H . . 3.510 2.787 2.678 2.837 . 0 0 "[ . 1]" 1
1039 1 67 SER H 1 69 ALA H . . 4.830 4.307 4.076 4.560 . 0 0 "[ . 1]" 1
1040 1 67 SER H 1 69 ALA MB . . 5.500 5.048 4.689 5.369 . 0 0 "[ . 1]" 1
1041 1 67 SER H 1 70 LEU QD . . 5.270 3.935 3.434 4.357 . 0 0 "[ . 1]" 1
1042 1 67 SER H 1 70 LEU HG . . 5.500 5.335 4.192 7.215 1.715 4 2 "[ +- 1]" 1
1043 1 67 SER HA 1 67 SER QB . . 2.660 2.354 2.315 2.374 . 0 0 "[ . 1]" 1
1044 1 67 SER HA 1 69 ALA H . . 4.450 4.269 4.089 4.403 . 0 0 "[ . 1]" 1
1045 1 67 SER HA 1 70 LEU H . . 3.730 3.278 3.155 3.425 . 0 0 "[ . 1]" 1
1046 1 67 SER HA 1 70 LEU QB . . 3.570 2.427 2.051 2.682 . 0 0 "[ . 1]" 1
1047 1 67 SER HA 1 70 LEU QD . . 3.240 2.316 1.892 2.599 . 0 0 "[ . 1]" 1
1048 1 67 SER HA 1 70 LEU HG . . 3.950 3.520 2.744 4.978 1.028 4 1 "[ +. 1]" 1
1049 1 67 SER QB 1 68 ARG H . . 4.030 2.739 2.611 2.809 . 0 0 "[ . 1]" 1
1050 1 67 SER QB 1 68 ARG QB . . 4.710 4.525 4.223 4.771 0.061 5 0 "[ . 1]" 1
1051 1 67 SER QB 1 70 LEU QD . . 4.530 3.885 3.437 4.321 . 0 0 "[ . 1]" 1
1052 1 68 ARG H 1 68 ARG QB . . 2.750 2.357 2.153 2.494 . 0 0 "[ . 1]" 1
1053 1 68 ARG H 1 68 ARG QD . . 4.270 3.219 2.053 4.109 . 0 0 "[ . 1]" 1
1054 1 68 ARG H 1 68 ARG HG2 . . 3.940 2.933 2.071 4.124 0.184 7 0 "[ . 1]" 1
1055 1 68 ARG H 1 68 ARG QG . . 3.420 2.668 2.057 3.646 0.226 2 0 "[ . 1]" 1
1056 1 68 ARG H 1 68 ARG HG3 . . 3.940 3.621 2.434 4.119 0.179 2 0 "[ . 1]" 1
1057 1 68 ARG HA 1 68 ARG QB . . 2.650 2.417 2.359 2.508 . 0 0 "[ . 1]" 1
1058 1 68 ARG HA 1 68 ARG QD . . 3.460 2.336 1.893 3.827 0.367 4 0 "[ . 1]" 1
1059 1 68 ARG HA 1 68 ARG HG2 . . 3.840 3.112 2.359 3.611 . 0 0 "[ . 1]" 1
1060 1 68 ARG HA 1 68 ARG HG3 . . 3.840 3.278 2.336 3.770 . 0 0 "[ . 1]" 1
1061 1 68 ARG HA 1 71 ARG H . . 3.920 3.452 3.077 3.771 . 0 0 "[ . 1]" 1
1062 1 68 ARG HA 1 71 ARG QB . . 3.400 2.712 2.366 3.221 . 0 0 "[ . 1]" 1
1063 1 68 ARG QB 1 69 ALA H . . 3.330 2.677 2.438 2.805 . 0 0 "[ . 1]" 1
1064 1 68 ARG QB 1 69 ALA HA . . 4.230 3.936 3.779 4.041 . 0 0 "[ . 1]" 1
1065 1 69 ALA H 1 69 ALA MB . . 2.930 2.251 2.240 2.260 . 0 0 "[ . 1]" 1
1066 1 69 ALA H 1 70 LEU H . . 3.320 2.542 2.455 2.662 . 0 0 "[ . 1]" 1
1067 1 69 ALA H 1 70 LEU QD . . 4.910 4.278 3.490 4.925 0.015 2 0 "[ . 1]" 1
1068 1 69 ALA HA 1 71 ARG H . . 4.660 4.121 3.864 4.421 . 0 0 "[ . 1]" 1
1069 1 69 ALA HA 1 72 HIS QB . . 3.800 3.244 2.644 3.865 0.065 2 0 "[ . 1]" 1
1070 1 69 ALA HA 1 72 HIS HD2 . . 4.820 5.777 4.996 6.039 1.219 3 9 [*-+*.*****] 1
1071 1 69 ALA MB 1 70 LEU H . . 3.570 2.571 2.481 2.643 . 0 0 "[ . 1]" 1
1072 1 69 ALA MB 1 73 TYR QE . . 4.550 3.212 2.719 4.146 . 0 0 "[ . 1]" 1
1073 1 70 LEU H 1 70 LEU HB2 . . 3.590 2.378 2.207 2.539 . 0 0 "[ . 1]" 1
1074 1 70 LEU H 1 70 LEU QB . . 3.000 2.344 2.185 2.490 . 0 0 "[ . 1]" 1
1075 1 70 LEU H 1 70 LEU HB3 . . 3.590 3.566 3.504 3.594 0.004 7 0 "[ . 1]" 1
1076 1 70 LEU H 1 70 LEU MD1 . . 4.070 3.490 2.246 3.809 . 0 0 "[ . 1]" 1
1077 1 70 LEU H 1 70 LEU MD2 . . 4.070 3.075 1.934 3.973 . 0 0 "[ . 1]" 1
1078 1 70 LEU H 1 70 LEU HG . . 3.560 3.006 2.181 4.051 0.491 1 0 "[ . 1]" 1
1079 1 70 LEU H 1 71 ARG H . . 3.430 2.632 2.529 2.711 . 0 0 "[ . 1]" 1
1080 1 70 LEU H 1 72 HIS QB . . 4.930 5.042 4.726 5.331 0.401 6 0 "[ . 1]" 1
1081 1 70 LEU HA 1 70 LEU QD . . 2.980 2.007 1.830 2.600 . 0 0 "[ . 1]" 1
1082 1 70 LEU HA 1 73 TYR H . . 4.620 3.331 3.028 3.635 . 0 0 "[ . 1]" 1
1083 1 70 LEU HA 1 73 TYR QD . . 3.780 2.014 1.748 2.402 . 0 0 "[ . 1]" 1
1084 1 70 LEU HA 1 73 TYR QE . . 4.430 3.563 2.812 4.122 . 0 0 "[ . 1]" 1
1085 1 70 LEU QB 1 70 LEU QD . . 2.620 1.977 1.931 2.060 . 0 0 "[ . 1]" 1
1086 1 70 LEU QB 1 71 ARG H . . 3.850 2.761 2.476 3.013 . 0 0 "[ . 1]" 1
1087 1 70 LEU QB 1 74 TYR QE . . 4.280 2.902 2.605 3.538 . 0 0 "[ . 1]" 1
1088 1 70 LEU HB2 1 70 LEU MD1 . . 3.420 2.587 2.285 3.201 . 0 0 "[ . 1]" 1
1089 1 70 LEU HB2 1 70 LEU MD2 . . 3.420 2.859 2.302 3.202 . 0 0 "[ . 1]" 1
1090 1 70 LEU HB3 1 70 LEU MD1 . . 3.420 2.479 2.361 3.201 . 0 0 "[ . 1]" 1
1091 1 70 LEU HB3 1 70 LEU MD2 . . 3.420 2.603 2.287 3.201 . 0 0 "[ . 1]" 1
1092 1 70 LEU QD 1 71 ARG H . . 4.350 4.055 3.725 4.319 . 0 0 "[ . 1]" 1
1093 1 70 LEU QD 1 73 TYR QD . . 3.600 2.836 1.918 4.043 0.443 4 0 "[ . 1]" 1
1094 1 70 LEU QD 1 73 TYR QE . . 3.750 3.430 2.862 3.973 0.223 4 0 "[ . 1]" 1
1095 1 70 LEU QD 1 89 PHE HZ . . 3.740 3.871 2.726 5.197 1.457 9 3 "[- * +1]" 1
1096 1 70 LEU MD1 1 71 ARG H . . 5.000 4.620 4.157 4.936 . 0 0 "[ . 1]" 1
1097 1 70 LEU MD2 1 71 ARG H . . 5.000 4.544 3.924 4.891 . 0 0 "[ . 1]" 1
1098 1 70 LEU HG 1 73 TYR QD . . 4.470 4.753 3.782 5.265 0.795 9 2 "[- . +1]" 1
1099 1 70 LEU HG 1 73 TYR QE . . 4.930 5.394 4.265 6.404 1.474 1 5 "[+ * - **]" 1
1100 1 71 ARG H 1 71 ARG QB . . 2.780 2.201 2.111 2.236 . 0 0 "[ . 1]" 1
1101 1 71 ARG H 1 71 ARG QD . . 4.020 3.844 2.497 4.484 0.464 8 0 "[ . 1]" 1
1102 1 71 ARG H 1 71 ARG QG . . 4.890 4.017 3.670 4.073 . 0 0 "[ . 1]" 1
1103 1 71 ARG H 1 72 HIS QB . . 4.850 4.378 4.312 4.472 . 0 0 "[ . 1]" 1
1104 1 71 ARG H 1 74 TYR QE . . 5.110 3.958 3.717 4.151 . 0 0 "[ . 1]" 1
1105 1 71 ARG QB 1 72 HIS H . . 4.090 2.762 2.642 2.855 . 0 0 "[ . 1]" 1
1106 1 71 ARG QB 1 72 HIS QB . . 4.770 3.990 3.813 4.161 . 0 0 "[ . 1]" 1
1107 1 71 ARG QB 1 74 TYR QD . . 4.650 3.644 3.338 3.858 . 0 0 "[ . 1]" 1
1108 1 71 ARG QD 1 74 TYR QE . . 4.080 3.054 2.143 4.374 0.294 8 0 "[ . 1]" 1
1109 1 72 HIS HA 1 72 HIS HD2 . . 5.320 3.496 2.934 4.487 . 0 0 "[ . 1]" 1
1110 1 72 HIS HA 1 74 TYR H . . 4.820 4.219 4.061 4.353 . 0 0 "[ . 1]" 1
1111 1 72 HIS HA 1 75 LYS QB . . 3.780 3.326 2.639 4.463 0.683 7 1 "[ . + 1]" 1
1112 1 72 HIS QB 1 73 TYR H . . 3.840 2.822 2.723 2.902 . 0 0 "[ . 1]" 1
1113 1 72 HIS QB 1 75 LYS QB . . 5.420 4.987 4.366 5.657 0.237 7 0 "[ . 1]" 1
1114 1 72 HIS QB 1 76 LEU QD . . 5.440 4.374 3.971 4.824 . 0 0 "[ . 1]" 1
1115 1 72 HIS HD2 1 73 TYR HA . . 5.500 6.701 6.179 7.275 1.775 6 10 [**-**+****] 1
1116 1 72 HIS HD2 1 76 LEU QD . . 4.470 4.788 3.743 5.288 0.818 9 5 "[ * *- +*]" 1
1117 1 72 HIS HE1 1 76 LEU QD . . 4.220 2.660 2.439 3.505 . 0 0 "[ . 1]" 1
1118 1 73 TYR H 1 73 TYR QD . . 4.680 2.707 1.945 3.351 . 0 0 "[ . 1]" 1
1119 1 73 TYR H 1 74 TYR H . . 3.920 2.396 2.271 2.490 . 0 0 "[ . 1]" 1
1120 1 73 TYR H 1 78 ILE MD . . 5.500 5.404 4.958 6.088 0.588 4 1 "[ +. 1]" 1
1121 1 73 TYR H 1 79 ILE HB . . 5.080 5.070 4.588 5.422 0.342 10 0 "[ . 1]" 1
1122 1 73 TYR H 1 79 ILE MD . . 5.500 6.545 6.309 6.947 1.447 10 10 [*-*******+] 1
1123 1 73 TYR H 1 79 ILE MG . . 5.500 5.882 5.376 6.324 0.824 10 3 "[ *- +]" 1
1124 1 73 TYR HA 1 73 TYR QD . . 3.280 2.653 2.049 3.178 . 0 0 "[ . 1]" 1
1125 1 73 TYR HA 1 73 TYR QE . . 4.620 4.523 4.277 4.741 0.121 2 0 "[ . 1]" 1
1126 1 73 TYR HA 1 76 LEU HB2 . . 3.250 3.015 2.534 3.424 0.174 10 0 "[ . 1]" 1
1127 1 73 TYR HA 1 76 LEU QD . . 3.570 3.058 2.247 3.541 . 0 0 "[ . 1]" 1
1128 1 73 TYR HA 1 78 ILE H . . 4.320 4.000 3.665 5.024 0.704 7 1 "[ . + 1]" 1
1129 1 73 TYR HA 1 78 ILE MD . . 3.810 3.018 2.573 3.783 . 0 0 "[ . 1]" 1
1130 1 73 TYR HA 1 79 ILE H . . 5.400 4.252 3.886 5.166 . 0 0 "[ . 1]" 1
1131 1 73 TYR QB 1 74 TYR H . . 4.380 2.939 2.764 3.206 . 0 0 "[ . 1]" 1
1132 1 73 TYR QB 1 74 TYR QE . . 4.340 4.514 4.152 4.942 0.602 7 3 "[ - + *1]" 1
1133 1 73 TYR QB 1 76 LEU QD . . 5.440 4.500 3.782 4.988 . 0 0 "[ . 1]" 1
1134 1 73 TYR QB 1 78 ILE H . . 4.340 3.833 3.597 4.150 . 0 0 "[ . 1]" 1
1135 1 73 TYR QB 1 78 ILE HB . . 3.780 2.402 1.895 2.783 . 0 0 "[ . 1]" 1
1136 1 73 TYR QB 1 78 ILE MD . . 4.600 3.447 2.966 3.952 . 0 0 "[ . 1]" 1
1137 1 73 TYR QB 1 78 ILE MG . . 4.050 3.372 2.988 3.789 . 0 0 "[ . 1]" 1
1138 1 73 TYR QB 1 79 ILE H . . 4.460 2.723 2.314 3.288 . 0 0 "[ . 1]" 1
1139 1 73 TYR QB 1 79 ILE HB . . 4.370 2.628 2.190 3.133 . 0 0 "[ . 1]" 1
1140 1 73 TYR QB 1 79 ILE MD . . 4.070 3.725 3.496 4.052 . 0 0 "[ . 1]" 1
1141 1 73 TYR QB 1 79 ILE MG . . 4.290 3.745 3.407 4.223 . 0 0 "[ . 1]" 1
1142 1 73 TYR QD 1 76 LEU QD . . 3.720 3.683 2.756 4.466 0.746 9 4 "[** .- +1]" 1
1143 1 73 TYR QD 1 78 ILE HB . . 5.110 2.947 2.198 3.773 . 0 0 "[ . 1]" 1
1144 1 73 TYR QD 1 78 ILE MD . . 3.380 2.274 1.768 2.736 . 0 0 "[ . 1]" 1
1145 1 73 TYR QD 1 78 ILE MG . . 4.400 3.036 2.102 4.073 . 0 0 "[ . 1]" 1
1146 1 73 TYR QD 1 79 ILE HB . . 5.080 4.533 4.126 5.066 . 0 0 "[ . 1]" 1
1147 1 73 TYR QD 1 79 ILE MD . . 4.260 4.343 3.771 5.172 0.912 10 2 "[ . - +]" 1
1148 1 73 TYR QD 1 79 ILE MG . . 4.290 4.933 4.512 5.452 1.162 10 7 "[- **.** *+]" 1
1149 1 74 TYR H 1 74 TYR QB . . 3.550 2.483 2.426 2.540 . 0 0 "[ . 1]" 1
1150 1 74 TYR H 1 74 TYR QD . . 4.040 3.064 2.281 3.255 . 0 0 "[ . 1]" 1
1151 1 74 TYR H 1 75 LYS H . . 4.450 2.548 2.349 2.700 . 0 0 "[ . 1]" 1
1152 1 74 TYR H 1 78 ILE MD . . 5.500 5.924 5.593 6.456 0.956 4 4 "[ -+. ** 1]" 1
1153 1 74 TYR H 1 79 ILE H . . 4.960 4.687 4.397 5.232 0.272 7 0 "[ . 1]" 1
1154 1 74 TYR H 1 79 ILE HB . . 4.690 4.306 3.984 4.602 . 0 0 "[ . 1]" 1
1155 1 74 TYR HA 1 74 TYR QD . . 3.440 2.257 2.080 2.936 . 0 0 "[ . 1]" 1
1156 1 74 TYR QD 1 79 ILE HB . . 3.790 3.097 2.654 4.139 0.349 2 0 "[ . 1]" 1
1157 1 74 TYR QD 1 79 ILE MD . . 5.500 5.478 5.212 5.940 0.440 2 0 "[ . 1]" 1
1158 1 74 TYR QD 1 79 ILE MG . . 4.230 3.272 3.014 3.609 . 0 0 "[ . 1]" 1
1159 1 74 TYR QD 1 80 ARG HA . . 4.020 3.488 3.194 3.895 . 0 0 "[ . 1]" 1
1160 1 74 TYR QD 1 81 LYS H . . 5.330 4.365 3.839 4.854 . 0 0 "[ . 1]" 1
1161 1 74 TYR QE 1 79 ILE HB . . 3.890 3.279 2.877 4.246 0.356 2 0 "[ . 1]" 1
1162 1 74 TYR QE 1 79 ILE MG . . 3.540 2.250 1.952 2.813 . 0 0 "[ . 1]" 1
1163 1 74 TYR QE 1 80 ARG HA . . 3.770 4.159 3.252 4.700 0.930 3 5 "[ + -* * *]" 1
1164 1 74 TYR QE 1 81 LYS H . . 4.960 4.218 3.067 5.180 0.220 10 0 "[ . 1]" 1
1165 1 74 TYR QE 1 81 LYS QB . . 4.130 4.535 3.694 5.302 1.172 10 4 "[ - ** +]" 1
1166 1 74 TYR QE 1 81 LYS QE . . 5.340 4.785 4.504 5.222 . 0 0 "[ . 1]" 1
1167 1 75 LYS H 1 75 LYS QB . . 3.920 2.302 2.214 2.422 . 0 0 "[ . 1]" 1
1168 1 75 LYS H 1 76 LEU H . . 4.670 2.602 2.499 2.822 . 0 0 "[ . 1]" 1
1169 1 75 LYS HA 1 77 ASN H . . 3.810 3.721 3.590 3.896 0.086 9 0 "[ . 1]" 1
1170 1 75 LYS QB 1 76 LEU H . . 3.890 2.845 2.474 3.089 . 0 0 "[ . 1]" 1
1171 1 75 LYS QB 1 76 LEU QD . . 4.520 3.212 2.161 4.406 . 0 0 "[ . 1]" 1
1172 1 76 LEU H 1 76 LEU HB3 . . 3.960 3.514 2.592 3.670 . 0 0 "[ . 1]" 1
1173 1 76 LEU H 1 76 LEU QD . . 4.270 3.038 2.273 3.750 . 0 0 "[ . 1]" 1
1174 1 76 LEU H 1 76 LEU HG . . 3.570 3.207 2.447 4.540 0.970 10 2 "[- . +]" 1
1175 1 76 LEU H 1 77 ASN H . . 3.480 2.381 2.258 2.529 . 0 0 "[ . 1]" 1
1176 1 76 LEU H 1 77 ASN HA . . 4.910 4.559 4.419 4.732 . 0 0 "[ . 1]" 1
1177 1 76 LEU H 1 78 ILE MD . . 4.980 4.611 4.298 4.935 . 0 0 "[ . 1]" 1
1178 1 76 LEU HA 1 76 LEU QD . . 3.180 2.195 1.955 2.870 . 0 0 "[ . 1]" 1
1179 1 76 LEU HA 1 76 LEU HG . . 3.190 2.921 2.435 3.172 . 0 0 "[ . 1]" 1
1180 1 76 LEU HB2 1 77 ASN H . . 3.670 3.641 3.259 4.270 0.600 10 1 "[ . +]" 1
1181 1 76 LEU HB2 1 78 ILE MD . . 3.330 2.828 2.562 4.056 0.726 10 1 "[ . +]" 1
1182 1 76 LEU HB3 1 78 ILE H . . 4.650 3.860 3.528 4.113 . 0 0 "[ . 1]" 1
1183 1 76 LEU HB3 1 78 ILE MD . . 4.000 2.847 2.596 3.133 . 0 0 "[ . 1]" 1
1184 1 76 LEU QD 1 77 ASN H . . 5.000 4.255 4.063 4.361 . 0 0 "[ . 1]" 1
1185 1 77 ASN H 1 77 ASN HA . . 2.860 2.264 2.260 2.272 . 0 0 "[ . 1]" 1
1186 1 77 ASN H 1 77 ASN HB2 . . 4.020 3.395 3.030 3.573 . 0 0 "[ . 1]" 1
1187 1 77 ASN H 1 77 ASN QB . . 3.510 3.226 2.907 3.358 . 0 0 "[ . 1]" 1
1188 1 77 ASN H 1 77 ASN HB3 . . 4.020 4.040 3.738 4.114 0.094 2 0 "[ . 1]" 1
1189 1 77 ASN H 1 78 ILE MD . . 4.720 5.250 5.182 5.341 0.621 10 7 "[ -*** * *+]" 1
1190 1 77 ASN HA 1 79 ILE H . . 5.500 4.096 3.714 4.358 . 0 0 "[ . 1]" 1
1191 1 78 ILE H 1 78 ILE HB . . 3.380 2.528 2.516 2.549 . 0 0 "[ . 1]" 1
1192 1 78 ILE H 1 78 ILE MD . . 4.350 3.722 3.647 3.933 . 0 0 "[ . 1]" 1
1193 1 78 ILE H 1 78 ILE QG . . 3.670 2.318 2.208 2.592 . 0 0 "[ . 1]" 1
1194 1 78 ILE H 1 78 ILE MG . . 4.140 3.792 3.781 3.816 . 0 0 "[ . 1]" 1
1195 1 78 ILE H 1 79 ILE H . . 3.390 2.415 2.134 2.577 . 0 0 "[ . 1]" 1
1196 1 78 ILE H 1 79 ILE QG . . 4.680 4.542 4.182 4.804 0.124 3 0 "[ . 1]" 1
1197 1 78 ILE HA 1 78 ILE MD . . 4.430 3.835 3.805 3.849 . 0 0 "[ . 1]" 1
1198 1 78 ILE HA 1 78 ILE QG . . 3.430 2.418 2.385 2.435 . 0 0 "[ . 1]" 1
1199 1 78 ILE HA 1 78 ILE MG . . 3.430 2.395 2.370 2.415 . 0 0 "[ . 1]" 1
1200 1 78 ILE HA 1 92 MET HB2 . . 4.750 4.904 4.250 5.730 0.980 5 3 "[ +* -1]" 1
1201 1 78 ILE HA 1 92 MET QB . . 4.070 3.490 2.758 4.738 0.668 5 1 "[ + 1]" 1
1202 1 78 ILE HA 1 92 MET HB3 . . 4.750 3.586 2.793 5.052 0.302 5 0 "[ . 1]" 1
1203 1 78 ILE HA 1 93 LYS H . . 4.320 3.458 2.391 4.848 0.528 5 1 "[ + 1]" 1
1204 1 78 ILE HB 1 79 ILE H . . 3.870 2.401 2.209 2.779 . 0 0 "[ . 1]" 1
1205 1 78 ILE MG 1 79 ILE H . . 4.560 3.303 3.167 3.590 . 0 0 "[ . 1]" 1
1206 1 78 ILE MG 1 91 PHE QD . . 5.500 2.937 2.176 3.392 . 0 0 "[ . 1]" 1
1207 1 78 ILE MG 1 91 PHE QE . . 5.500 3.528 2.803 4.222 . 0 0 "[ . 1]" 1
1208 1 78 ILE MG 1 93 LYS H . . 4.360 3.856 3.207 4.622 0.262 5 0 "[ . 1]" 1
1209 1 78 ILE MG 1 93 LYS QG . . 4.420 3.433 2.638 4.848 0.428 8 0 "[ . 1]" 1
1210 1 79 ILE H 1 79 ILE HB . . 4.190 2.551 2.415 2.626 . 0 0 "[ . 1]" 1
1211 1 79 ILE H 1 79 ILE MD . . 4.750 3.633 3.556 3.782 . 0 0 "[ . 1]" 1
1212 1 79 ILE H 1 79 ILE MG . . 4.650 3.812 3.733 3.849 . 0 0 "[ . 1]" 1
1213 1 79 ILE H 1 80 ARG H . . 4.860 4.383 4.290 4.463 . 0 0 "[ . 1]" 1
1214 1 79 ILE HA 1 79 ILE MD . . 4.210 2.006 1.903 2.065 . 0 0 "[ . 1]" 1
1215 1 79 ILE HA 1 79 ILE MG . . 3.310 2.428 2.391 2.535 . 0 0 "[ . 1]" 1
1216 1 79 ILE HA 1 80 ARG H . . 3.140 2.157 2.134 2.194 . 0 0 "[ . 1]" 1
1217 1 79 ILE HA 1 90 ARG H . . 4.390 4.378 4.182 4.686 0.296 10 0 "[ . 1]" 1
1218 1 79 ILE HB 1 79 ILE MD . . 3.330 3.236 3.232 3.239 . 0 0 "[ . 1]" 1
1219 1 79 ILE MD 1 79 ILE MG . . 2.940 1.985 1.950 2.019 . 0 0 "[ . 1]" 1
1220 1 79 ILE MD 1 80 ARG H . . 4.890 3.616 3.305 3.757 . 0 0 "[ . 1]" 1
1221 1 79 ILE MD 1 89 PHE QD . . 5.500 4.564 3.603 5.342 . 0 0 "[ . 1]" 1
1222 1 79 ILE MD 1 91 PHE QD . . 4.150 2.809 2.521 3.117 . 0 0 "[ . 1]" 1
1223 1 79 ILE MD 1 91 PHE QE . . 4.360 2.665 2.428 2.895 . 0 0 "[ . 1]" 1
1224 1 79 ILE MG 1 80 ARG H . . 3.290 2.697 2.471 2.914 . 0 0 "[ . 1]" 1
1225 1 79 ILE MG 1 80 ARG QB . . 4.680 4.310 4.174 4.447 . 0 0 "[ . 1]" 1
1226 1 79 ILE MG 1 81 LYS H . . 4.630 4.251 3.997 4.459 . 0 0 "[ . 1]" 1
1227 1 79 ILE MG 1 81 LYS HA . . 4.640 4.316 4.130 4.598 . 0 0 "[ . 1]" 1
1228 1 79 ILE MG 1 89 PHE QB . . 3.500 2.247 1.927 2.577 . 0 0 "[ . 1]" 1
1229 1 79 ILE MG 1 89 PHE QD . . 3.710 2.402 2.058 3.091 . 0 0 "[ . 1]" 1
1230 1 79 ILE MG 1 89 PHE QE . . 4.300 3.834 3.371 4.698 0.398 4 0 "[ . 1]" 1
1231 1 79 ILE MG 1 90 ARG H . . 3.730 3.168 2.608 3.569 . 0 0 "[ . 1]" 1
1232 1 79 ILE MG 1 91 PHE QE . . 5.500 5.158 4.956 5.321 . 0 0 "[ . 1]" 1
1233 1 80 ARG H 1 80 ARG HB2 . . 4.120 2.988 2.437 3.816 . 0 0 "[ . 1]" 1
1234 1 80 ARG H 1 80 ARG QB . . 3.320 2.524 2.402 2.993 . 0 0 "[ . 1]" 1
1235 1 80 ARG H 1 80 ARG HB3 . . 4.120 2.910 2.520 3.651 . 0 0 "[ . 1]" 1
1236 1 80 ARG H 1 81 LYS H . . 4.900 4.395 4.278 4.451 . 0 0 "[ . 1]" 1
1237 1 80 ARG H 1 89 PHE QD . . 4.910 4.919 4.405 5.615 0.705 4 1 "[ +. 1]" 1
1238 1 80 ARG H 1 90 ARG H . . 3.590 2.985 2.621 3.227 . 0 0 "[ . 1]" 1
1239 1 80 ARG H 1 92 MET H . . 5.470 3.801 3.292 4.394 . 0 0 "[ . 1]" 1
1240 1 80 ARG H 1 92 MET QG . . 5.500 5.608 4.788 6.511 1.011 1 3 "[+* . - 1]" 1
1241 1 80 ARG HA 1 80 ARG HG2 . . 3.800 3.306 2.556 3.953 0.153 10 0 "[ . 1]" 1
1242 1 80 ARG HA 1 80 ARG HG3 . . 3.800 2.856 2.381 3.607 . 0 0 "[ . 1]" 1
1243 1 80 ARG HA 1 81 LYS H . . 3.080 2.198 2.151 2.285 . 0 0 "[ . 1]" 1
1244 1 80 ARG HA 1 81 LYS QB . . 4.720 4.436 4.356 4.523 . 0 0 "[ . 1]" 1
1245 1 80 ARG HA 1 81 LYS QG . . 4.650 3.801 3.515 4.032 . 0 0 "[ . 1]" 1
1246 1 80 ARG QB 1 81 LYS H . . 3.970 3.428 2.726 3.798 . 0 0 "[ . 1]" 1
1247 1 80 ARG HB2 1 80 ARG QD . . 3.770 2.450 2.208 2.859 . 0 0 "[ . 1]" 1
1248 1 80 ARG HB2 1 81 LYS H . . 4.540 4.034 2.775 4.347 . 0 0 "[ . 1]" 1
1249 1 80 ARG HB3 1 80 ARG QD . . 3.770 2.883 2.393 3.301 . 0 0 "[ . 1]" 1
1250 1 80 ARG HB3 1 81 LYS H . . 4.540 3.849 2.918 4.211 . 0 0 "[ . 1]" 1
1251 1 81 LYS H 1 81 LYS QB . . 3.210 2.459 2.357 2.533 . 0 0 "[ . 1]" 1
1252 1 81 LYS H 1 81 LYS HG2 . . 4.720 3.729 3.449 4.006 . 0 0 "[ . 1]" 1
1253 1 81 LYS H 1 81 LYS HG3 . . 4.720 2.636 2.389 2.908 . 0 0 "[ . 1]" 1
1254 1 81 LYS H 1 82 GLU H . . 4.840 4.429 4.132 4.571 . 0 0 "[ . 1]" 1
1255 1 81 LYS H 1 89 PHE QD . . 5.500 4.867 4.238 5.575 0.075 7 0 "[ . 1]" 1
1256 1 81 LYS HA 1 81 LYS HG2 . . 4.000 2.561 2.457 2.660 . 0 0 "[ . 1]" 1
1257 1 81 LYS HA 1 81 LYS HG3 . . 4.000 3.126 3.002 3.259 . 0 0 "[ . 1]" 1
1258 1 81 LYS HA 1 82 GLU H . . 2.920 2.193 2.149 2.243 . 0 0 "[ . 1]" 1
1259 1 81 LYS HA 1 82 GLU QG . . 4.650 3.859 3.569 4.068 . 0 0 "[ . 1]" 1
1260 1 81 LYS HA 1 89 PHE HA . . 3.510 2.694 2.308 2.929 . 0 0 "[ . 1]" 1
1261 1 81 LYS HA 1 89 PHE QB . . 4.560 4.407 4.019 4.718 0.158 1 0 "[ . 1]" 1
1262 1 81 LYS HA 1 89 PHE QD . . 4.440 3.719 2.819 4.284 . 0 0 "[ . 1]" 1
1263 1 81 LYS HA 1 89 PHE QE . . 4.280 5.035 4.339 5.592 1.312 7 8 "[-***.*+* *]" 1
1264 1 81 LYS HA 1 90 ARG H . . 4.550 3.540 3.050 3.975 . 0 0 "[ . 1]" 1
1265 1 81 LYS QB 1 81 LYS QE . . 2.870 1.944 1.797 2.304 . 0 0 "[ . 1]" 1
1266 1 81 LYS QE 1 81 LYS QG . . 2.980 2.333 2.248 2.410 . 0 0 "[ . 1]" 1
1267 1 81 LYS QE 1 82 GLU H . . 5.340 4.630 4.283 5.177 . 0 0 "[ . 1]" 1
1268 1 81 LYS HE2 1 81 LYS HG2 . . 4.060 2.958 2.389 3.134 . 0 0 "[ . 1]" 1
1269 1 81 LYS HE2 1 81 LYS HG3 . . 4.060 3.708 3.588 3.820 . 0 0 "[ . 1]" 1
1270 1 81 LYS HE3 1 81 LYS HG2 . . 4.060 2.609 2.352 3.507 . 0 0 "[ . 1]" 1
1271 1 81 LYS HE3 1 81 LYS HG3 . . 4.060 3.756 3.612 4.196 0.136 7 0 "[ . 1]" 1
1272 1 81 LYS QG 1 82 GLU H . . 4.220 4.144 3.969 4.339 0.119 8 0 "[ . 1]" 1
1273 1 81 LYS QG 1 89 PHE QE . . 4.650 2.680 2.143 3.265 . 0 0 "[ . 1]" 1
1274 1 82 GLU H 1 82 GLU QB . . 3.080 2.459 2.322 2.939 . 0 0 "[ . 1]" 1
1275 1 82 GLU H 1 82 GLU HG2 . . 4.030 2.294 1.829 2.550 . 0 0 "[ . 1]" 1
1276 1 82 GLU H 1 82 GLU QG . . 3.400 2.268 1.804 2.510 . 0 0 "[ . 1]" 1
1277 1 82 GLU H 1 82 GLU HG3 . . 4.030 3.606 2.755 3.772 . 0 0 "[ . 1]" 1
1278 1 82 GLU H 1 83 PRO HD2 . . 5.280 5.058 4.699 5.256 . 0 0 "[ . 1]" 1
1279 1 82 GLU H 1 83 PRO QD . . 4.540 4.292 4.189 4.383 . 0 0 "[ . 1]" 1
1280 1 82 GLU H 1 83 PRO HD3 . . 5.280 4.682 4.438 5.081 . 0 0 "[ . 1]" 1
1281 1 82 GLU H 1 88 LEU QB . . 3.550 3.576 2.783 3.996 0.446 10 0 "[ . 1]" 1
1282 1 82 GLU H 1 88 LEU QD . . 4.410 3.841 2.670 5.311 0.901 1 3 "[+ . -*1]" 1
1283 1 82 GLU H 1 89 PHE HA . . 3.390 3.691 3.141 4.037 0.647 10 3 "[* -. +]" 1
1284 1 82 GLU H 1 89 PHE QB . . 5.300 5.612 5.108 5.919 0.619 10 2 "[- . +]" 1
1285 1 82 GLU H 1 89 PHE QD . . 5.050 5.439 4.541 5.849 0.799 7 6 "[*** . +- *]" 1
1286 1 82 GLU H 1 90 ARG H . . 5.100 4.502 4.227 4.810 . 0 0 "[ . 1]" 1
1287 1 82 GLU HA 1 83 PRO HD2 . . 3.200 2.433 1.940 2.824 . 0 0 "[ . 1]" 1
1288 1 82 GLU HA 1 83 PRO QD . . 2.770 1.869 1.794 2.020 . 0 0 "[ . 1]" 1
1289 1 82 GLU HA 1 83 PRO HD3 . . 3.200 2.059 1.831 2.505 . 0 0 "[ . 1]" 1
1290 1 82 GLU HA 1 83 PRO QG . . 4.800 3.775 3.712 3.913 . 0 0 "[ . 1]" 1
1291 1 82 GLU HA 1 88 LEU QB . . 5.260 5.553 4.367 6.301 1.041 10 3 "[- . * +]" 1
1292 1 82 GLU QB 1 83 PRO QD . . 4.450 2.720 2.453 2.960 . 0 0 "[ . 1]" 1
1293 1 82 GLU QG 1 88 LEU QB . . 3.720 3.453 2.167 3.943 0.223 7 0 "[ . 1]" 1
1294 1 82 GLU QG 1 90 ARG H . . 4.490 4.344 3.833 4.940 0.450 10 0 "[ . 1]" 1
1295 1 82 GLU QG 1 90 ARG QD . . 5.180 3.381 2.359 5.147 . 0 0 "[ . 1]" 1
1296 1 82 GLU HG2 1 88 LEU QB . . 4.280 3.848 2.463 4.409 0.129 7 0 "[ . 1]" 1
1297 1 82 GLU HG3 1 88 LEU QB . . 4.280 3.931 2.404 4.657 0.377 1 0 "[ . 1]" 1
1298 1 84 GLY QA 1 85 GLN QB . . 5.080 4.533 4.100 4.672 . 0 0 "[ . 1]" 1
1299 1 84 GLY QA 1 85 GLN QG . . 4.340 3.787 3.352 4.486 0.146 2 0 "[ . 1]" 1
1300 1 85 GLN HA 1 85 GLN QG . . 3.560 2.747 2.307 3.044 . 0 0 "[ . 1]" 1
1301 1 85 GLN QB 1 85 GLN QE . . 3.970 3.057 1.801 3.723 . 0 0 "[ . 1]" 1
1302 1 85 GLN QB 1 88 LEU QB . . 4.080 1.847 1.708 2.024 . 0 0 "[ . 1]" 1
1303 1 85 GLN QB 1 88 LEU QD . . 4.220 2.905 1.840 3.391 . 0 0 "[ . 1]" 1
1304 1 85 GLN QB 1 88 LEU HG . . 4.170 3.403 2.696 4.662 0.492 7 0 "[ . 1]" 1
1305 1 85 GLN HB2 1 88 LEU H . . 4.270 3.844 3.300 4.430 0.160 2 0 "[ . 1]" 1
1306 1 85 GLN HB3 1 88 LEU H . . 4.270 2.915 2.584 3.271 . 0 0 "[ . 1]" 1
1307 1 85 GLN QE 1 85 GLN QG . . 2.890 2.251 2.130 2.682 . 0 0 "[ . 1]" 1
1308 1 85 GLN QE 1 88 LEU QD . . 4.380 3.366 1.876 4.425 0.045 6 0 "[ . 1]" 1
1309 1 85 GLN HE21 1 88 LEU QD . . 5.500 3.680 1.891 4.701 . 0 0 "[ . 1]" 1
1310 1 85 GLN HE22 1 85 GLN QG . . 3.400 3.285 3.212 3.483 0.083 4 0 "[ . 1]" 1
1311 1 85 GLN HE22 1 88 LEU QD . . 5.500 4.145 3.121 5.462 . 0 0 "[ . 1]" 1
1312 1 85 GLN QG 1 88 LEU H . . 4.840 4.727 4.291 5.190 0.350 5 0 "[ . 1]" 1
1313 1 85 GLN QG 1 88 LEU QB . . 4.440 2.817 2.293 3.774 . 0 0 "[ . 1]" 1
1314 1 85 GLN QG 1 88 LEU QD . . 4.900 3.226 2.037 3.779 . 0 0 "[ . 1]" 1
1315 1 86 ARG HA 1 86 ARG QD . . 4.080 4.261 4.014 4.566 0.486 1 0 "[ . 1]" 1
1316 1 86 ARG HA 1 86 ARG QG . . 3.480 2.923 2.436 3.353 . 0 0 "[ . 1]" 1
1317 1 86 ARG HA 1 87 LEU H . . 3.560 3.519 3.383 3.572 0.012 10 0 "[ . 1]" 1
1318 1 86 ARG HA 1 87 LEU QD . . 5.190 4.708 4.019 5.502 0.312 1 0 "[ . 1]" 1
1319 1 86 ARG HA 1 88 LEU H . . 4.530 4.070 3.603 4.380 . 0 0 "[ . 1]" 1
1320 1 86 ARG QB 1 87 LEU H . . 4.090 2.946 2.100 3.727 . 0 0 "[ . 1]" 1
1321 1 86 ARG QB 1 87 LEU QD . . 4.350 3.647 2.073 4.737 0.387 4 0 "[ . 1]" 1
1322 1 86 ARG QD 1 87 LEU QD . . 3.720 3.238 2.576 4.530 0.810 4 1 "[ +. 1]" 1
1323 1 86 ARG QG 1 87 LEU H . . 4.510 2.874 2.093 3.844 . 0 0 "[ . 1]" 1
1324 1 87 LEU H 1 87 LEU QD . . 4.020 3.393 2.190 3.828 . 0 0 "[ . 1]" 1
1325 1 87 LEU H 1 87 LEU HG . . 5.070 3.495 2.672 4.640 . 0 0 "[ . 1]" 1
1326 1 87 LEU H 1 88 LEU H . . 4.390 2.459 2.257 2.649 . 0 0 "[ . 1]" 1
1327 1 87 LEU HA 1 87 LEU QD . . 2.810 1.973 1.851 2.025 . 0 0 "[ . 1]" 1
1328 1 87 LEU QB 1 87 LEU QD . . 2.730 1.957 1.941 2.062 . 0 0 "[ . 1]" 1
1329 1 88 LEU H 1 88 LEU QB . . 3.580 2.377 2.230 2.523 . 0 0 "[ . 1]" 1
1330 1 88 LEU H 1 88 LEU QD . . 3.940 3.342 2.528 3.905 . 0 0 "[ . 1]" 1
1331 1 88 LEU H 1 89 PHE H . . 4.890 4.395 4.296 4.476 . 0 0 "[ . 1]" 1
1332 1 88 LEU H 1 89 PHE QD . . 5.470 4.688 4.405 4.854 . 0 0 "[ . 1]" 1
1333 1 88 LEU H 1 89 PHE HZ . . 5.500 5.442 5.086 5.967 0.467 8 0 "[ . 1]" 1
1334 1 88 LEU HA 1 88 LEU QD . . 3.200 1.958 1.830 2.853 . 0 0 "[ . 1]" 1
1335 1 88 LEU HA 1 89 PHE H . . 2.940 2.151 2.115 2.196 . 0 0 "[ . 1]" 1
1336 1 88 LEU HA 1 89 PHE QE . . 4.320 4.818 4.305 5.008 0.688 9 6 "[** -* *+1]" 1
1337 1 88 LEU QB 1 89 PHE H . . 3.870 3.530 3.211 3.748 . 0 0 "[ . 1]" 1
1338 1 88 LEU QD 1 89 PHE H . . 3.510 2.556 2.004 3.262 . 0 0 "[ . 1]" 1
1339 1 88 LEU QD 1 89 PHE QE . . 5.500 5.261 5.144 5.725 0.225 7 0 "[ . 1]" 1
1340 1 89 PHE H 1 89 PHE QB . . 3.810 2.656 2.570 2.704 . 0 0 "[ . 1]" 1
1341 1 89 PHE H 1 89 PHE QD . . 4.700 2.957 2.712 3.224 . 0 0 "[ . 1]" 1
1342 1 89 PHE H 1 90 ARG H . . 4.520 4.403 4.356 4.447 . 0 0 "[ . 1]" 1
1343 1 89 PHE HA 1 90 ARG H . . 3.160 2.254 2.157 2.378 . 0 0 "[ . 1]" 1
1344 1 89 PHE QB 1 90 ARG H . . 3.540 2.778 2.443 3.013 . 0 0 "[ . 1]" 1
1345 1 90 ARG H 1 90 ARG QB . . 3.260 2.554 2.464 2.657 . 0 0 "[ . 1]" 1
1346 1 90 ARG H 1 90 ARG QD . . 5.340 4.775 4.599 5.137 . 0 0 "[ . 1]" 1
1347 1 90 ARG H 1 90 ARG QG . . 4.210 4.081 4.017 4.135 . 0 0 "[ . 1]" 1
1348 1 90 ARG HA 1 90 ARG QD . . 4.810 4.034 3.957 4.257 . 0 0 "[ . 1]" 1
1349 1 90 ARG HA 1 90 ARG QG . . 3.770 2.495 2.361 2.604 . 0 0 "[ . 1]" 1
1350 1 90 ARG HA 1 91 PHE H . . 3.210 2.206 2.164 2.278 . 0 0 "[ . 1]" 1
1351 1 90 ARG HA 1 91 PHE QB . . 5.180 4.397 4.285 4.457 . 0 0 "[ . 1]" 1
1352 1 90 ARG QB 1 90 ARG HD2 . . 3.390 2.540 2.303 3.296 . 0 0 "[ . 1]" 1
1353 1 90 ARG QB 1 90 ARG HD3 . . 3.390 2.432 2.198 3.295 . 0 0 "[ . 1]" 1
1354 1 90 ARG QB 1 90 ARG HE . . 4.050 3.476 2.101 3.984 . 0 0 "[ . 1]" 1
1355 1 90 ARG QB 1 91 PHE H . . 4.000 3.664 3.537 3.725 . 0 0 "[ . 1]" 1
1356 1 90 ARG QG 1 91 PHE H . . 3.770 2.613 2.360 2.743 . 0 0 "[ . 1]" 1
1357 1 91 PHE H 1 91 PHE QB . . 3.520 2.349 2.266 2.411 . 0 0 "[ . 1]" 1
1358 1 91 PHE HA 1 91 PHE QE . . 4.710 4.556 4.492 4.688 . 0 0 "[ . 1]" 1
1359 1 91 PHE HA 1 92 MET H . . 3.370 2.152 2.128 2.184 . 0 0 "[ . 1]" 1
1360 1 91 PHE HA 1 92 MET QB . . 4.630 4.110 4.028 4.348 . 0 0 "[ . 1]" 1
1361 1 91 PHE HA 1 93 LYS H . . 4.200 3.719 3.435 4.142 . 0 0 "[ . 1]" 1
1362 1 91 PHE QB 1 92 MET H . . 4.600 3.262 2.993 3.444 . 0 0 "[ . 1]" 1
1363 1 91 PHE QB 1 93 LYS H . . 4.250 3.236 2.680 3.804 . 0 0 "[ . 1]" 1
1364 1 92 MET H 1 92 MET HB2 . . 4.010 2.787 2.538 3.638 . 0 0 "[ . 1]" 1
1365 1 92 MET H 1 92 MET QB . . 3.470 2.351 2.278 2.570 . 0 0 "[ . 1]" 1
1366 1 92 MET H 1 92 MET HB3 . . 4.010 2.559 2.467 2.695 . 0 0 "[ . 1]" 1
1367 1 92 MET H 1 92 MET QG . . 4.380 3.869 2.128 4.158 . 0 0 "[ . 1]" 1
1368 1 92 MET H 1 93 LYS H . . 3.450 2.308 2.110 2.527 . 0 0 "[ . 1]" 1
1369 1 92 MET H 1 93 LYS QB . . 4.220 4.346 3.704 5.048 0.828 9 2 "[ - +1]" 1
1370 1 92 MET QB 1 93 LYS H . . 4.020 2.876 2.457 3.684 . 0 0 "[ . 1]" 1
1371 1 93 LYS H 1 93 LYS QB . . 3.240 2.468 2.108 2.969 . 0 0 "[ . 1]" 1
1372 1 93 LYS HA 1 93 LYS QG . . 3.800 2.713 2.238 3.422 . 0 0 "[ . 1]" 1
1373 1 93 LYS HA 1 94 THR H . . 3.060 2.348 2.213 2.613 . 0 0 "[ . 1]" 1
1374 1 93 LYS QB 1 93 LYS QE . . 4.000 3.032 1.871 3.738 . 0 0 "[ . 1]" 1
1375 1 93 LYS QB 1 94 THR H . . 3.560 2.834 2.043 3.594 0.034 6 0 "[ . 1]" 1
1376 1 93 LYS QD 1 94 THR H . . 4.370 3.585 1.956 5.364 0.994 7 1 "[ . + 1]" 1
1377 1 93 LYS QE 1 94 THR H . . 4.860 3.699 1.819 4.994 0.134 9 0 "[ . 1]" 1
1378 1 93 LYS QE 1 94 THR MG . . 4.190 4.455 3.217 5.451 1.261 1 5 "[+ * -**1]" 1
1379 1 93 LYS QE 1 97 GLU H . . 5.430 5.542 4.487 6.511 1.081 4 2 "[ +. -]" 1
1380 1 93 LYS QG 1 94 THR H . . 3.570 3.638 2.407 4.456 0.886 10 4 "[ - ** +]" 1
1381 1 94 THR H 1 94 THR MG . . 3.170 2.148 1.867 2.497 . 0 0 "[ . 1]" 1
1382 1 94 THR H 1 96 ASP H . . 5.300 4.848 4.268 5.336 0.036 6 0 "[ . 1]" 1
1383 1 94 THR H 1 97 GLU H . . 4.730 4.403 3.819 4.892 0.162 5 0 "[ . 1]" 1
1384 1 94 THR H 1 98 ILE H . . 5.500 5.778 4.838 6.586 1.086 9 3 "[- * +1]" 1
1385 1 94 THR HA 1 94 THR MG . . 3.250 3.121 2.265 3.222 . 0 0 "[ . 1]" 1
1386 1 94 THR HB 1 95 PRO QD . . 3.800 3.348 2.396 3.564 . 0 0 "[ . 1]" 1
1387 1 94 THR MG 1 95 PRO HB3 . . 5.450 5.881 5.658 6.101 0.651 6 3 "[ *.+- 1]" 1
1388 1 94 THR MG 1 96 ASP H . . 4.310 2.722 2.199 4.279 . 0 0 "[ . 1]" 1
1389 1 94 THR MG 1 96 ASP QB . . 4.470 2.451 1.869 4.361 . 0 0 "[ . 1]" 1
1390 1 94 THR MG 1 97 GLU H . . 4.610 2.593 1.836 4.613 0.003 6 0 "[ . 1]" 1
1391 1 94 THR MG 1 97 GLU QG . . 4.560 2.552 1.794 4.500 . 0 0 "[ . 1]" 1
1392 1 95 PRO HA 1 97 GLU H . . 4.840 4.130 3.830 4.578 . 0 0 "[ . 1]" 1
1393 1 95 PRO HB2 1 96 ASP H . . 3.660 3.411 3.002 3.674 0.014 9 0 "[ . 1]" 1
1394 1 95 PRO HB3 1 96 ASP H . . 4.280 4.310 4.169 4.413 0.133 8 0 "[ . 1]" 1
1395 1 95 PRO QD 1 96 ASP H . . 3.810 2.871 2.656 3.152 . 0 0 "[ . 1]" 1
1396 1 95 PRO QG 1 96 ASP H . . 4.700 3.162 2.524 4.033 . 0 0 "[ . 1]" 1
1397 1 96 ASP H 1 96 ASP HB2 . . 3.530 2.664 2.498 3.642 0.112 4 0 "[ . 1]" 1
1398 1 96 ASP H 1 96 ASP QB . . 2.880 2.415 2.232 2.568 . 0 0 "[ . 1]" 1
1399 1 96 ASP H 1 96 ASP HB3 . . 3.530 3.072 2.457 3.630 0.100 5 0 "[ . 1]" 1
1400 1 96 ASP H 1 97 GLU H . . 3.410 2.781 2.569 2.931 . 0 0 "[ . 1]" 1
1401 1 96 ASP HA 1 96 ASP QB . . 2.650 2.344 2.180 2.401 . 0 0 "[ . 1]" 1
1402 1 96 ASP HA 1 98 ILE H . . 4.690 4.284 4.066 4.572 . 0 0 "[ . 1]" 1
1403 1 96 ASP QB 1 97 GLU H . . 3.410 2.614 2.273 3.685 0.275 4 0 "[ . 1]" 1
1404 1 96 ASP HB2 1 97 GLU H . . 4.090 3.218 2.303 4.108 0.018 4 0 "[ . 1]" 1
1405 1 96 ASP HB3 1 97 GLU H . . 4.090 3.229 2.353 4.165 0.075 4 0 "[ . 1]" 1
1406 1 97 GLU H 1 97 GLU QB . . 3.550 2.496 2.354 2.591 . 0 0 "[ . 1]" 1
1407 1 97 GLU H 1 97 GLU HG2 . . 3.920 3.011 2.028 3.799 . 0 0 "[ . 1]" 1
1408 1 97 GLU H 1 97 GLU QG . . 3.400 2.172 1.844 2.778 . 0 0 "[ . 1]" 1
1409 1 97 GLU H 1 97 GLU HG3 . . 3.920 2.600 1.859 3.553 . 0 0 "[ . 1]" 1
1410 1 97 GLU H 1 98 ILE H . . 3.120 2.630 2.500 2.759 . 0 0 "[ . 1]" 1
1411 1 97 GLU H 1 98 ILE HB . . 4.940 4.934 4.764 5.095 0.155 8 0 "[ . 1]" 1
1412 1 97 GLU HA 1 97 GLU QG . . 3.600 2.645 2.376 3.339 . 0 0 "[ . 1]" 1
1413 1 97 GLU QB 1 98 ILE H . . 3.620 2.730 2.449 3.465 . 0 0 "[ . 1]" 1
1414 1 98 ILE H 1 98 ILE HB . . 2.670 2.554 2.498 2.590 . 0 0 "[ . 1]" 1
1415 1 98 ILE H 1 98 ILE MD . . 3.880 3.411 3.104 3.618 . 0 0 "[ . 1]" 1
1416 1 98 ILE H 1 98 ILE QG . . 3.480 2.087 1.987 2.250 . 0 0 "[ . 1]" 1
1417 1 98 ILE H 1 98 ILE MG . . 3.860 3.773 3.768 3.791 . 0 0 "[ . 1]" 1
1418 1 98 ILE H 1 99 MET H . . 3.530 2.544 2.333 2.742 . 0 0 "[ . 1]" 1
1419 1 98 ILE HB 1 99 MET H . . 3.400 2.785 2.399 3.201 . 0 0 "[ . 1]" 1
1420 1 98 ILE QG 1 99 MET H . . 4.640 3.989 3.913 4.111 . 0 0 "[ . 1]" 1
1421 1 98 ILE MG 1 99 MET HA . . 3.950 3.610 3.278 3.888 . 0 0 "[ . 1]" 1
1422 1 99 MET H 1 99 MET QB . . 2.990 2.250 2.226 2.284 . 0 0 "[ . 1]" 1
1423 1 99 MET H 1 99 MET QG . . 4.280 3.924 3.420 4.034 . 0 0 "[ . 1]" 1
1424 1 99 MET H 1 100 SER H . . 3.800 2.632 2.439 2.807 . 0 0 "[ . 1]" 1
1425 1 99 MET HA 1 99 MET HG2 . . 4.070 3.288 3.005 3.792 . 0 0 "[ . 1]" 1
1426 1 99 MET HA 1 99 MET HG3 . . 4.070 2.649 2.440 3.141 . 0 0 "[ . 1]" 1
1427 1 99 MET QB 1 100 SER H . . 3.950 2.726 2.498 3.069 . 0 0 "[ . 1]" 1
1428 1 99 MET ME 1 99 MET HG2 . . 3.380 2.587 2.450 3.404 0.024 5 0 "[ . 1]" 1
1429 1 99 MET ME 1 99 MET HG3 . . 3.380 2.681 2.442 3.406 0.026 4 0 "[ . 1]" 1
1430 1 100 SER H 1 100 SER QB . . 3.320 2.467 2.269 2.838 . 0 0 "[ . 1]" 1
1431 1 100 SER HA 1 102 ARG H . . 4.940 4.465 3.216 5.166 0.226 2 0 "[ . 1]" 1
1432 1 101 GLY H 1 102 ARG H . . 3.760 3.003 2.211 4.311 0.551 4 1 "[ +. 1]" 1
1433 1 101 GLY H 1 102 ARG QG . . 4.930 4.440 3.341 6.042 1.112 7 2 "[ . +- 1]" 1
1434 1 101 GLY QA 1 102 ARG H . . 2.750 2.586 2.134 2.916 0.166 6 0 "[ . 1]" 1
1435 1 101 GLY QA 1 102 ARG QB . . 4.820 4.407 4.200 4.663 . 0 0 "[ . 1]" 1
1436 1 101 GLY QA 1 102 ARG QG . . 4.370 4.200 3.517 5.544 1.174 8 2 "[ . -+ 1]" 1
1437 1 102 ARG H 1 102 ARG HA . . 2.900 2.920 2.852 2.949 0.049 3 0 "[ . 1]" 1
1438 1 102 ARG H 1 102 ARG QB . . 2.600 2.544 2.316 2.973 0.373 2 0 "[ . 1]" 1
1439 1 102 ARG H 1 102 ARG QD . . 4.250 4.066 3.345 4.854 0.604 8 1 "[ . + 1]" 1
1440 1 102 ARG H 1 102 ARG QG . . 3.870 2.747 1.938 4.053 0.183 7 0 "[ . 1]" 1
1441 1 102 ARG HA 1 102 ARG QG . . 3.480 2.785 2.376 3.419 . 0 0 "[ . 1]" 1
1442 1 102 ARG QB 1 102 ARG QD . . 3.430 2.278 2.079 2.552 . 0 0 "[ . 1]" 1
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