NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
624782 |
5o7j   |
26840 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5o7j
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 1149
_Distance_constraint_stats_list.Viol_count 4712
_Distance_constraint_stats_list.Viol_total 25445.625
_Distance_constraint_stats_list.Viol_max 1.676
_Distance_constraint_stats_list.Viol_rms 0.1584
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0554
_Distance_constraint_stats_list.Viol_average_violations_only 0.2700
_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 24 MET 1.931 0.212 5 0 "[ . 1 . 2]"
1 25 ARG 1.356 0.425 5 0 "[ . 1 . 2]"
1 26 ALA 0.740 0.168 9 0 "[ . 1 . 2]"
1 27 GLN 33.719 0.727 16 10 "[ * * * *-** .+ **]"
1 28 LEU 49.789 0.745 9 14 "[ * * **+**** -** **]"
1 29 ILE 41.682 0.873 17 18 "[************ *.-+***]"
1 30 GLU 14.570 0.865 9 1 "[ . +1 . 2]"
1 31 ARG 28.059 0.940 9 18 "[********+****** * *-]"
1 32 GLY 22.836 1.507 9 20 [********+******-****]
1 33 GLN 85.263 1.676 17 20 [************-***+***]
1 34 LEU 6.740 0.502 9 2 "[ . +1 .- 2]"
1 35 ILE 48.588 1.507 9 20 [********+***********]
1 36 ALA 4.777 0.479 11 0 "[ . 1 . 2]"
1 37 GLU 21.462 1.156 11 12 "[* *******-+ .** 2]"
1 38 GLN 37.938 1.676 17 14 "[* *** * *** -***+ *]"
1 39 LEU 8.369 0.758 16 2 "[ . -1 .+ 2]"
1 40 ALA 1.635 0.580 17 2 "[ . -1 . + 2]"
1 41 PRO 41.828 1.137 11 20 [*********-+*********]
1 42 LEU 30.097 0.745 9 6 "[ . * +** - * 2]"
1 43 ALA 17.966 0.618 19 8 "[ *.* -*1** . *+2]"
1 44 ALA 37.819 1.137 11 20 [*-********+*********]
1 45 THR 10.763 0.368 18 0 "[ . 1 . 2]"
1 46 ALA 25.421 0.865 9 3 "[ . +1-* . 2]"
1 47 LEU 52.344 0.665 11 4 "[ . -* 1+ . * 2]"
1 48 ALA 12.130 0.479 4 0 "[ . 1 . 2]"
1 49 ARG 12.740 0.514 7 1 "[ . + 1 . 2]"
1 50 LYS 30.348 0.804 20 7 "[ *. * 1 - * **+]"
1 51 ASP 53.453 0.723 11 16 "[ ******* 1+**** ***-]"
1 52 THR 41.022 0.892 16 16 "[ ** **** * ****+***-]"
1 53 ALA 18.071 0.549 7 2 "[ . + 1 . -]"
1 54 VAL 33.685 0.606 11 1 "[ . 1+ . 2]"
1 55 LEU 52.072 1.087 19 20 [******-***********+*]
1 56 ASN 42.632 0.726 11 13 "[*** . * *+****** *]"
1 57 ARG 74.393 1.087 19 20 [**********-*******+*]
1 58 ILE 40.419 0.588 9 6 "[ . - +1* . * **]"
1 59 ALA 37.978 0.850 8 8 "[ *.* + 1 ** .- * *]"
1 60 ASN 43.889 0.983 8 13 "[ ***.- + **** ** **2]"
1 61 GLU 34.126 1.057 16 8 "[ *.* * 1 ** .+ * *]"
1 62 ALA 12.420 0.521 15 2 "[ . - + 2]"
1 63 LEU 71.551 1.425 5 20 [****+**********-****]
1 64 ASP 11.327 0.718 16 2 "[ .- 1 .+ 2]"
1 65 GLN 30.229 0.843 18 14 "[* ** * ** **-** +**]"
1 66 PRO 9.544 0.698 8 2 "[ - + 1 . 2]"
1 67 ASP 8.798 0.747 6 5 "[ - *.+ 1 .* *]"
1 68 VAL 23.588 0.684 6 1 "[ .+ 1 . 2]"
1 69 ARG 26.113 1.148 16 12 "[ ** ** *** -+***2]"
1 70 ALA 16.809 1.094 3 17 "[ -+************** *]"
1 71 VAL 9.170 0.491 5 0 "[ . 1 . 2]"
1 72 THR 8.243 0.575 20 1 "[ . 1 . +]"
1 73 PHE 118.665 1.450 5 20 [****+*-*************]
1 74 LEU 47.391 0.954 19 18 "[* *** ***********-+*]"
1 75 ASP 34.167 1.422 11 18 "[- ********+ ********]"
1 76 ALA 18.841 1.084 6 4 "[ * .+ -1 . *]"
1 77 ARG 19.431 1.006 20 16 "[ ***-****** *****+]"
1 78 GLN 17.898 0.955 6 20 [*****+******-*******]
1 79 GLU 31.080 0.849 3 12 "[ *+** * 1 -***** *2]"
1 80 ARG 50.287 1.656 18 15 "[****** 1******-+ *]"
1 81 LEU 40.523 1.422 11 18 "[* ********+ **-*****]"
1 82 ALA 20.507 0.986 3 1 "[ + . 1 . 2]"
1 83 HIS 35.719 0.994 3 11 "[ + **** * * .* *-*]"
1 84 ALA 96.931 1.450 5 20 [****+************-**]
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 SER 0.213 0.213 1 0 "[ . 1 . 2]"
1 88 MET 1.900 0.387 12 0 "[ . 1 . 2]"
1 89 LEU 24.305 0.768 18 10 "[ **** * * .* +**]"
1 90 THR 14.157 1.656 18 6 "[-** * 1 .* + 2]"
1 91 VAL 6.089 0.758 16 1 "[ . 1 .+ 2]"
1 92 ALA 7.734 0.608 12 2 "[ . 1 + . -2]"
1 93 PRO 0.608 0.170 20 0 "[ . 1 . 2]"
1 94 ALA 4.568 0.608 12 3 "[ . * + . *2]"
1 95 GLY 0.798 0.409 9 0 "[ . 1 . 2]"
1 96 ASP 8.192 1.406 12 7 "[- . * ** + . **2]"
1 97 ALA 33.668 1.070 11 17 "[* **** **+**-******]"
1 98 SER 8.192 1.406 12 7 "[- . * ** + . **2]"
1 99 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LEU 12.149 1.070 11 9 "[ .* *+-*** * *2]"
1 101 SER 2.898 0.397 5 0 "[ . 1 . 2]"
1 102 MET 2.898 0.397 5 0 "[ . 1 . 2]"
1 103 SER 0.241 0.241 6 0 "[ . 1 . 2]"
1 104 THR 1.347 0.304 14 0 "[ . 1 . 2]"
1 105 GLU 4.057 0.692 10 3 "[ . + .* -2]"
1 106 LEU 1.521 0.314 17 0 "[ . 1 . 2]"
1 107 ASP 7.685 1.570 6 5 "[ *+ 1* -*. 2]"
1 108 THR 2.471 0.692 10 3 "[ . + .* -2]"
1 109 THR 19.906 1.570 6 8 "[ *+ 1**-*. * *]"
1 110 HIS 22.464 0.849 3 13 "[ *+**** 1 -***** *2]"
1 111 PHE 7.508 0.680 5 2 "[ + 1 . - 2]"
1 112 LEU 0.109 0.038 17 0 "[ . 1 . 2]"
1 113 LEU 0.999 0.285 19 0 "[ . 1 . 2]"
1 114 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 VAL 0.040 0.040 3 0 "[ . 1 . 2]"
1 116 LEU 10.786 0.942 9 9 "[ - * * +*** *. *]"
1 117 GLY 21.305 1.221 13 12 "[ *** ** +*** *-*]"
1 118 ARG 12.614 1.094 3 9 "[ + * * **** *. *]"
1 119 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 SER 3.444 0.440 18 0 "[ . 1 . 2]"
1 122 LEU 7.810 0.918 1 1 "[+ . 1 . 2]"
1 123 SER 1.786 0.372 14 0 "[ . 1 . 2]"
1 124 GLY 16.353 0.918 1 9 "[+ **. - *** . **2]"
1 125 ALA 13.773 1.134 20 6 "[ - * * .* * +]"
1 126 THR 10.819 0.605 10 4 "[ *. - + * . 2]"
1 127 GLU 15.912 0.888 20 3 "[ . - 1 * . +]"
1 128 PRO 0.214 0.119 12 0 "[ . 1 . 2]"
1 129 ASP 0.131 0.077 20 0 "[ . 1 . 2]"
1 130 ASP 1.232 0.369 10 0 "[ . 1 . 2]"
1 131 GLU 11.986 1.134 20 4 "[ - * * . +]"
1 132 ARG 11.717 0.465 12 0 "[ . 1 . 2]"
1 133 VAL 17.206 0.716 8 6 "[ * . + 1-* . **2]"
1 134 LEU 11.496 1.084 6 4 "[ * .+ -1 . *]"
1 135 GLY 47.566 1.006 20 20 [-******************+]
1 136 TRP 48.274 0.954 19 16 "[* **. ****-***** *+*]"
1 137 VAL 10.636 0.488 19 0 "[ . 1 . 2]"
1 138 GLU 13.469 0.730 8 5 "[ *. + 1** . -]"
1 139 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 GLU 16.258 1.038 3 13 "[ *+ ** * *** -****2]"
1 141 LEU 16.120 0.388 5 0 "[ . 1 . 2]"
1 142 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 HIS 3.708 0.587 20 2 "[ . - 1 . +]"
1 144 HIS 8.924 0.618 19 8 "[ *.* -*1** . *+2]"
1 145 GLY 2.893 0.651 16 3 "[- . * 1 .+ 2]"
1 146 THR 6.727 0.593 7 3 "[ - . + 1 * . 2]"
1 147 LEU 5.420 0.593 7 3 "[ - . + 1 * . 2]"
1 148 LEU 19.064 1.442 20 8 "[** *. * * * .- +]"
1 149 ARG 19.818 1.462 15 9 "[ * ** * * * +- *]"
1 150 GLY 11.682 1.462 15 4 "[ * . 1 * +- 2]"
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 24 MET H 1 24 MET QB . . 3.720 2.201 2.076 2.319 . 0 0 "[ . 1 . 2]" 1
2 1 24 MET HA 1 28 LEU HB2 . . 4.750 4.841 4.673 4.962 0.212 5 0 "[ . 1 . 2]" 1
3 1 24 MET QB 1 27 GLN QG . . 5.500 4.224 4.002 4.508 . 0 0 "[ . 1 . 2]" 1
4 1 25 ARG H 1 27 GLN QG . . 4.900 4.551 4.454 4.713 . 0 0 "[ . 1 . 2]" 1
5 1 25 ARG HA 1 27 GLN QG . . 5.430 4.477 4.345 4.746 . 0 0 "[ . 1 . 2]" 1
6 1 25 ARG HA 1 28 LEU QD . . 5.440 3.917 3.785 4.040 . 0 0 "[ . 1 . 2]" 1
7 1 25 ARG HA 1 29 ILE MD . . 5.500 4.553 3.769 4.871 . 0 0 "[ . 1 . 2]" 1
8 1 25 ARG QD 1 29 ILE MG . . 4.640 4.464 4.141 5.065 0.425 5 0 "[ . 1 . 2]" 1
9 1 26 ALA H 1 27 GLN QB . . 5.500 5.062 4.930 5.155 . 0 0 "[ . 1 . 2]" 1
10 1 26 ALA H 1 27 GLN QG . . 4.240 4.255 4.121 4.408 0.168 9 0 "[ . 1 . 2]" 1
11 1 26 ALA MB 1 57 ARG QG . . 5.500 3.828 3.229 4.167 . 0 0 "[ . 1 . 2]" 1
12 1 27 GLN H 1 27 GLN QG . . 4.040 2.166 2.018 2.240 . 0 0 "[ . 1 . 2]" 1
13 1 27 GLN H 1 54 VAL QG . . 5.440 4.851 4.675 5.050 . 0 0 "[ . 1 . 2]" 1
14 1 27 GLN HA 1 57 ARG QB . . 3.730 3.607 3.401 3.773 0.043 16 0 "[ . 1 . 2]" 1
15 1 27 GLN HA 1 57 ARG QD . . 3.710 3.398 3.065 3.567 . 0 0 "[ . 1 . 2]" 1
16 1 27 GLN HA 1 58 ILE MG . . 4.300 3.996 3.892 4.081 . 0 0 "[ . 1 . 2]" 1
17 1 27 GLN QB 1 28 LEU H . . 3.240 3.577 3.533 3.616 0.376 19 0 "[ . 1 . 2]" 1
18 1 27 GLN QB 1 42 LEU QD . . 3.880 4.042 3.540 4.495 0.615 10 1 "[ . + . 2]" 1
19 1 27 GLN QB 1 57 ARG QG . . 4.440 3.519 3.377 3.689 . 0 0 "[ . 1 . 2]" 1
20 1 27 GLN HE21 1 28 LEU H . . 4.270 4.479 4.363 4.598 0.328 19 0 "[ . 1 . 2]" 1
21 1 27 GLN HE21 1 28 LEU HB2 . . 4.980 5.405 5.260 5.683 0.703 19 2 "[ . 1- . +2]" 1
22 1 27 GLN HE21 1 28 LEU QD . . 4.770 2.663 2.490 2.831 . 0 0 "[ . 1 . 2]" 1
23 1 27 GLN HE21 1 28 LEU HG . . 4.820 5.309 5.032 5.547 0.727 16 9 "[ * * * 1**- .+ **]" 1
24 1 27 GLN QG 1 28 LEU HA . . 3.650 3.570 3.479 3.649 . 0 0 "[ . 1 . 2]" 1
25 1 27 GLN QG 1 42 LEU QB . . 5.500 3.238 3.056 3.427 . 0 0 "[ . 1 . 2]" 1
26 1 27 GLN QG 1 61 GLU QG . . 4.960 4.158 3.902 4.476 . 0 0 "[ . 1 . 2]" 1
27 1 28 LEU H 1 28 LEU HB2 . . 3.490 2.171 2.128 2.226 . 0 0 "[ . 1 . 2]" 1
28 1 28 LEU H 1 28 LEU HG . . 4.200 4.040 3.947 4.148 . 0 0 "[ . 1 . 2]" 1
29 1 28 LEU H 1 54 VAL QG . . 5.440 4.926 4.832 5.111 . 0 0 "[ . 1 . 2]" 1
30 1 28 LEU HA 1 28 LEU MD1 . . 2.610 2.202 2.136 2.298 . 0 0 "[ . 1 . 2]" 1
31 1 28 LEU HA 1 28 LEU MD2 . . 2.610 2.334 2.274 2.415 . 0 0 "[ . 1 . 2]" 1
32 1 28 LEU HA 1 42 LEU QB . . 2.800 2.913 2.691 3.382 0.582 9 1 "[ . +1 . 2]" 1
33 1 28 LEU HA 1 42 LEU HG . . 5.500 5.947 5.734 6.245 0.745 9 6 "[ . * +** - * 2]" 1
34 1 28 LEU HA 1 58 ILE MG . . 4.350 4.644 4.427 4.938 0.588 9 2 "[ . +1 . - 2]" 1
35 1 28 LEU HB2 1 29 ILE H . . 4.030 2.919 2.805 3.039 . 0 0 "[ . 1 . 2]" 1
36 1 28 LEU HB3 1 29 ILE H . . 3.780 3.196 3.062 3.479 . 0 0 "[ . 1 . 2]" 1
37 1 28 LEU HB3 1 30 GLU H . . 5.500 5.554 5.460 5.881 0.381 9 0 "[ . 1 . 2]" 1
38 1 28 LEU QD 1 29 ILE QG . . 5.300 4.713 4.601 4.874 . 0 0 "[ . 1 . 2]" 1
39 1 28 LEU QD 1 42 LEU H . . 3.900 3.451 3.138 3.759 . 0 0 "[ . 1 . 2]" 1
40 1 29 ILE H 1 29 ILE HB . . 3.240 2.433 2.377 2.500 . 0 0 "[ . 1 . 2]" 1
41 1 29 ILE H 1 29 ILE MD . . 4.740 3.421 3.224 3.641 . 0 0 "[ . 1 . 2]" 1
42 1 29 ILE H 1 29 ILE MG . . 3.800 3.796 3.769 3.818 0.018 15 0 "[ . 1 . 2]" 1
43 1 29 ILE H 1 30 GLU H . . 3.610 2.663 2.510 2.732 . 0 0 "[ . 1 . 2]" 1
44 1 29 ILE H 1 31 ARG H . . 4.650 4.378 4.196 4.654 0.004 6 0 "[ . 1 . 2]" 1
45 1 29 ILE H 1 32 GLY H . . 5.500 4.700 4.492 4.797 . 0 0 "[ . 1 . 2]" 1
46 1 29 ILE HA 1 29 ILE MD . . 3.930 2.144 2.048 2.195 . 0 0 "[ . 1 . 2]" 1
47 1 29 ILE HA 1 30 GLU HA . . 5.070 4.895 4.842 4.966 . 0 0 "[ . 1 . 2]" 1
48 1 29 ILE HA 1 31 ARG QB . . 5.500 5.656 5.516 5.876 0.376 18 0 "[ . 1 . 2]" 1
49 1 29 ILE HA 1 33 GLN H . . 4.630 2.831 2.601 3.030 . 0 0 "[ . 1 . 2]" 1
50 1 29 ILE HA 1 33 GLN QB . . 4.010 2.771 2.230 2.995 . 0 0 "[ . 1 . 2]" 1
51 1 29 ILE HB 1 30 GLU H . . 3.390 2.728 2.660 2.831 . 0 0 "[ . 1 . 2]" 1
52 1 29 ILE MD 1 32 GLY QA . . 5.340 4.361 4.192 4.577 . 0 0 "[ . 1 . 2]" 1
53 1 29 ILE MD 1 33 GLN H . . 3.860 4.147 3.931 4.338 0.478 19 0 "[ . 1 . 2]" 1
54 1 29 ILE MD 1 33 GLN QG . . 5.500 3.970 2.613 4.399 . 0 0 "[ . 1 . 2]" 1
55 1 29 ILE MD 1 38 GLN H . . 4.050 3.787 3.464 4.356 0.306 9 0 "[ . 1 . 2]" 1
56 1 29 ILE MD 1 38 GLN QE . . 4.280 3.223 2.306 3.853 . 0 0 "[ . 1 . 2]" 1
57 1 29 ILE MD 1 39 LEU H . . 5.500 5.602 5.129 6.158 0.658 9 1 "[ . +1 . 2]" 1
58 1 29 ILE QG 1 30 GLU H . . 4.230 4.182 4.051 4.237 0.007 3 0 "[ . 1 . 2]" 1
59 1 29 ILE MG 1 30 GLU H . . 3.380 3.404 3.279 3.578 0.198 15 0 "[ . 1 . 2]" 1
60 1 29 ILE MG 1 30 GLU HA . . 4.010 3.545 3.345 3.767 . 0 0 "[ . 1 . 2]" 1
61 1 29 ILE MG 1 32 GLY QA . . 5.340 5.192 5.018 5.561 0.221 17 0 "[ . 1 . 2]" 1
62 1 29 ILE MG 1 33 GLN H . . 3.370 3.630 3.464 3.787 0.417 17 0 "[ . 1 . 2]" 1
63 1 29 ILE MG 1 33 GLN HA . . 3.950 4.581 4.390 4.681 0.731 9 18 "[*-******+*** *.*****]" 1
64 1 29 ILE MG 1 34 LEU H . . 4.580 4.786 4.322 5.082 0.502 9 2 "[ . +1 .- 2]" 1
65 1 29 ILE MG 1 38 GLN QB . . 5.500 4.968 3.814 6.373 0.873 17 2 "[ . -1 . + 2]" 1
66 1 30 GLU H 1 30 GLU QG . . 3.980 4.020 3.996 4.043 0.063 19 0 "[ . 1 . 2]" 1
67 1 30 GLU HA 1 30 GLU QG . . 3.610 3.105 2.496 3.171 . 0 0 "[ . 1 . 2]" 1
68 1 30 GLU HA 1 33 GLN H . . 5.330 4.719 4.567 4.849 . 0 0 "[ . 1 . 2]" 1
69 1 30 GLU QG 1 31 ARG H . . 3.590 3.649 3.130 3.858 0.268 15 0 "[ . 1 . 2]" 1
70 1 30 GLU QG 1 31 ARG HA . . 3.890 3.957 3.513 4.196 0.306 13 0 "[ . 1 . 2]" 1
71 1 30 GLU QG 1 46 ALA MB . . 5.500 5.863 5.623 6.365 0.865 9 1 "[ . +1 . 2]" 1
72 1 30 GLU QG 1 57 ARG HE . . 5.500 4.041 3.698 4.806 . 0 0 "[ . 1 . 2]" 1
73 1 31 ARG H 1 31 ARG QG . . 4.060 4.129 4.070 4.171 0.111 7 0 "[ . 1 . 2]" 1
74 1 31 ARG H 1 33 GLN H . . 4.170 3.982 3.722 4.389 0.219 6 0 "[ . 1 . 2]" 1
75 1 31 ARG HA 1 31 ARG QD . . 3.340 2.394 2.066 3.475 0.135 9 0 "[ . 1 . 2]" 1
76 1 31 ARG HA 1 31 ARG QG . . 3.220 3.015 2.245 3.123 . 0 0 "[ . 1 . 2]" 1
77 1 31 ARG HA 1 32 GLY QA . . 4.880 4.475 4.443 4.498 . 0 0 "[ . 1 . 2]" 1
78 1 31 ARG HA 1 33 GLN H . . 5.500 4.550 4.383 4.690 . 0 0 "[ . 1 . 2]" 1
79 1 31 ARG QB 1 32 GLY QA . . 4.360 3.810 3.603 3.994 . 0 0 "[ . 1 . 2]" 1
80 1 31 ARG QB 1 35 ILE MD . . 3.440 4.067 3.757 4.380 0.940 9 18 "[********+****** * *-]" 1
81 1 31 ARG QD 1 33 GLN H . . 5.500 5.679 5.079 5.915 0.415 18 0 "[ . 1 . 2]" 1
82 1 31 ARG QD 1 35 ILE MD . . 3.290 2.167 2.006 3.117 . 0 0 "[ . 1 . 2]" 1
83 1 31 ARG QD 1 54 VAL QG . . 4.590 3.472 2.436 4.132 . 0 0 "[ . 1 . 2]" 1
84 1 31 ARG QG 1 32 GLY H . . 4.240 3.834 3.630 4.372 0.132 17 0 "[ . 1 . 2]" 1
85 1 31 ARG QG 1 32 GLY QA . . 4.820 3.719 3.457 4.662 . 0 0 "[ . 1 . 2]" 1
86 1 31 ARG QG 1 35 ILE MD . . 3.130 2.432 2.069 3.191 0.061 17 0 "[ . 1 . 2]" 1
87 1 31 ARG QG 1 46 ALA H . . 3.810 3.658 3.441 4.153 0.343 9 0 "[ . 1 . 2]" 1
88 1 31 ARG QG 1 46 ALA MB . . 4.160 2.281 2.152 2.648 . 0 0 "[ . 1 . 2]" 1
89 1 31 ARG QG 1 51 ASP HB2 . . 5.500 5.430 4.935 5.916 0.416 16 0 "[ . 1 . 2]" 1
90 1 32 GLY H 1 33 GLN H . . 3.540 2.779 2.703 2.833 . 0 0 "[ . 1 . 2]" 1
91 1 32 GLY H 1 35 ILE MD . . 3.750 4.859 4.337 5.257 1.507 9 20 [********+******-****] 1
92 1 32 GLY QA 1 35 ILE H . . 4.880 3.583 3.281 3.757 . 0 0 "[ . 1 . 2]" 1
93 1 32 GLY QA 1 35 ILE MD . . 3.860 3.360 2.629 4.115 0.255 17 0 "[ . 1 . 2]" 1
94 1 32 GLY QA 1 35 ILE MG . . 5.340 4.271 3.943 4.477 . 0 0 "[ . 1 . 2]" 1
95 1 32 GLY QA 1 36 ALA H . . 4.870 3.750 3.542 4.476 . 0 0 "[ . 1 . 2]" 1
96 1 32 GLY QA 1 38 GLN H . . 5.060 3.465 3.071 4.127 . 0 0 "[ . 1 . 2]" 1
97 1 32 GLY QA 1 39 LEU H . . 4.310 3.432 3.155 4.168 . 0 0 "[ . 1 . 2]" 1
98 1 33 GLN H 1 33 GLN QE . . 5.500 5.156 4.769 5.479 . 0 0 "[ . 1 . 2]" 1
99 1 33 GLN H 1 35 ILE HB . . 5.500 5.347 5.099 5.558 0.058 11 0 "[ . 1 . 2]" 1
100 1 33 GLN H 1 36 ALA H . . 5.500 4.598 4.405 4.761 . 0 0 "[ . 1 . 2]" 1
101 1 33 GLN H 1 37 GLU H . . 5.500 6.139 5.388 6.656 1.156 11 12 "[* *******-+ .** 2]" 1
102 1 33 GLN H 1 38 GLN QB . . 5.500 5.719 4.981 6.643 1.143 17 8 "[* -. * *** * + 2]" 1
103 1 33 GLN H 1 38 GLN QE . . 5.500 5.459 4.256 6.375 0.875 3 3 "[ + - 1 .* 2]" 1
104 1 33 GLN H 1 39 LEU H . . 5.500 5.731 5.256 6.258 0.758 16 2 "[ . -1 .+ 2]" 1
105 1 33 GLN HA 1 33 GLN QE . . 3.450 3.761 2.354 4.354 0.904 7 14 "[***** +****- .* **2]" 1
106 1 33 GLN HA 1 33 GLN QG . . 3.160 2.408 2.280 2.900 . 0 0 "[ . 1 . 2]" 1
107 1 33 GLN HA 1 34 LEU QB . . 5.500 5.231 5.078 5.359 . 0 0 "[ . 1 . 2]" 1
108 1 33 GLN QB 1 34 LEU H . . 3.330 3.100 2.705 3.487 0.157 11 0 "[ . 1 . 2]" 1
109 1 33 GLN QB 1 36 ALA H . . 5.500 5.026 4.703 5.219 . 0 0 "[ . 1 . 2]" 1
110 1 33 GLN QB 1 38 GLN QG . . 5.500 4.801 3.212 5.966 0.466 19 0 "[ . 1 . 2]" 1
111 1 33 GLN QE 1 37 GLU QG . . 4.860 3.156 2.121 3.921 . 0 0 "[ . 1 . 2]" 1
112 1 33 GLN QE 1 38 GLN H . . 4.370 4.285 3.488 5.369 0.999 17 2 "[ . -1 . + 2]" 1
113 1 33 GLN QE 1 38 GLN QB . . 5.500 4.763 3.372 7.176 1.676 17 3 "[ . 1 - . + *]" 1
114 1 33 GLN QE 1 38 GLN QE . . 2.960 2.899 2.084 4.433 1.473 20 4 "[ . 1 *-. * +]" 1
115 1 33 GLN QE 1 38 GLN QG . . 5.280 4.744 2.893 6.434 1.154 13 4 "[ . 1 +*. - *]" 1
116 1 33 GLN QG 1 36 ALA H . . 5.500 5.072 4.679 5.529 0.029 12 0 "[ . 1 . 2]" 1
117 1 33 GLN QG 1 38 GLN QE . . 4.490 3.197 2.438 4.466 . 0 0 "[ . 1 . 2]" 1
118 1 34 LEU H 1 34 LEU QD . . 3.690 3.010 2.258 3.744 0.054 9 0 "[ . 1 . 2]" 1
119 1 34 LEU HA 1 35 ILE H . . 3.490 3.560 3.416 3.600 0.110 10 0 "[ . 1 . 2]" 1
120 1 34 LEU HA 1 36 ALA H . . 5.500 4.836 4.130 5.169 . 0 0 "[ . 1 . 2]" 1
121 1 34 LEU QB 1 34 LEU QD . . 2.640 2.025 1.932 2.092 . 0 0 "[ . 1 . 2]" 1
122 1 34 LEU QB 1 35 ILE QG . . 5.500 3.316 2.979 4.758 . 0 0 "[ . 1 . 2]" 1
123 1 34 LEU QB 1 35 ILE MG . . 5.500 5.274 5.055 5.506 0.006 10 0 "[ . 1 . 2]" 1
124 1 34 LEU QD 1 35 ILE QG . . 5.500 4.321 2.634 4.826 . 0 0 "[ . 1 . 2]" 1
125 1 35 ILE H 1 35 ILE HB . . 3.460 2.395 2.272 2.491 . 0 0 "[ . 1 . 2]" 1
126 1 35 ILE H 1 35 ILE MG . . 3.930 3.789 3.672 3.833 . 0 0 "[ . 1 . 2]" 1
127 1 35 ILE HA 1 35 ILE MD . . 3.900 3.806 2.685 3.927 0.027 16 0 "[ . 1 . 2]" 1
128 1 35 ILE HB 1 35 ILE MD . . 3.420 2.387 2.273 2.454 . 0 0 "[ . 1 . 2]" 1
129 1 35 ILE HB 1 36 ALA H . . 3.710 2.673 2.357 3.197 . 0 0 "[ . 1 . 2]" 1
130 1 35 ILE MD 1 36 ALA H . . 4.760 4.600 4.210 5.025 0.265 13 0 "[ . 1 . 2]" 1
131 1 35 ILE MD 1 36 ALA MB . . 5.500 4.796 4.526 5.295 . 0 0 "[ . 1 . 2]" 1
132 1 35 ILE MG 1 36 ALA HA . . 4.080 4.013 3.779 4.266 0.186 11 0 "[ . 1 . 2]" 1
133 1 35 ILE MG 1 40 ALA HA . . 4.280 4.322 4.081 4.860 0.580 17 2 "[ . -1 . + 2]" 1
134 1 35 ILE MG 1 41 PRO QG . . 5.040 5.488 4.849 6.097 1.057 17 7 "[ * *- * * + *]" 1
135 1 36 ALA H 1 37 GLU QB . . 5.150 5.297 5.002 5.629 0.479 11 0 "[ . 1 . 2]" 1
136 1 36 ALA MB 1 37 GLU QB . . 4.080 3.538 3.302 3.801 . 0 0 "[ . 1 . 2]" 1
137 1 37 GLU H 1 38 GLN QB . . 5.500 5.450 5.124 5.737 0.237 8 0 "[ . 1 . 2]" 1
138 1 37 GLU H 1 38 GLN QE . . 4.760 4.876 4.586 5.226 0.466 20 0 "[ . 1 . 2]" 1
139 1 37 GLU HA 1 38 GLN QB . . 5.500 4.250 4.123 4.417 . 0 0 "[ . 1 . 2]" 1
140 1 37 GLU QB 1 38 GLN H . . 3.940 3.874 3.649 4.079 0.139 13 0 "[ . 1 . 2]" 1
141 1 37 GLU QB 1 38 GLN QE . . 4.400 2.946 1.889 4.225 . 0 0 "[ . 1 . 2]" 1
142 1 37 GLU QG 1 38 GLN QE . . 3.790 2.598 2.181 3.356 . 0 0 "[ . 1 . 2]" 1
143 1 39 LEU H 1 39 LEU HG . . 4.630 4.003 3.056 4.594 . 0 0 "[ . 1 . 2]" 1
144 1 40 ALA HA 1 41 PRO QG . . 4.330 4.117 4.071 4.228 . 0 0 "[ . 1 . 2]" 1
145 1 41 PRO HA 1 44 ALA MB . . 3.990 4.901 4.670 5.127 1.137 11 20 [**********+****-****] 1
146 1 41 PRO QB 1 42 LEU H . . 3.610 2.851 2.710 3.146 . 0 0 "[ . 1 . 2]" 1
147 1 41 PRO QB 1 43 ALA H . . 3.170 3.013 2.835 3.246 0.076 17 0 "[ . 1 . 2]" 1
148 1 41 PRO QB 1 43 ALA MB . . 5.500 4.250 4.056 4.476 . 0 0 "[ . 1 . 2]" 1
149 1 41 PRO QB 1 44 ALA H . . 4.490 2.597 2.462 2.819 . 0 0 "[ . 1 . 2]" 1
150 1 41 PRO QB 1 44 ALA HA . . 4.010 4.729 4.509 4.966 0.956 11 19 "[*-********+**** ****]" 1
151 1 42 LEU H 1 42 LEU QB . . 3.760 2.645 2.413 2.749 . 0 0 "[ . 1 . 2]" 1
152 1 42 LEU H 1 42 LEU QD . . 3.510 1.753 1.665 2.013 . 0 0 "[ . 1 . 2]" 1
153 1 42 LEU H 1 42 LEU HG . . 3.520 2.948 2.616 3.685 0.165 20 0 "[ . 1 . 2]" 1
154 1 42 LEU H 1 43 ALA H . . 4.050 2.616 2.520 2.708 . 0 0 "[ . 1 . 2]" 1
155 1 42 LEU H 1 43 ALA HA . . 5.120 5.303 5.213 5.369 0.249 15 0 "[ . 1 . 2]" 1
156 1 42 LEU HA 1 42 LEU HG . . 3.740 3.757 3.730 3.792 0.052 13 0 "[ . 1 . 2]" 1
157 1 42 LEU HA 1 58 ILE MD . . 4.290 4.244 4.059 4.376 0.086 17 0 "[ . 1 . 2]" 1
158 1 42 LEU QB 1 42 LEU QD . . 2.690 1.935 1.914 1.964 . 0 0 "[ . 1 . 2]" 1
159 1 42 LEU QB 1 43 ALA MB . . 5.500 4.081 3.974 4.374 . 0 0 "[ . 1 . 2]" 1
160 1 42 LEU QB 1 144 HIS HE1 . . 5.500 4.874 4.456 5.154 . 0 0 "[ . 1 . 2]" 1
161 1 42 LEU QD 1 44 ALA H . . 4.220 4.395 3.587 4.667 0.447 6 0 "[ . 1 . 2]" 1
162 1 42 LEU QD 1 55 LEU MD2 . . 5.500 5.484 5.369 5.569 0.069 10 0 "[ . 1 . 2]" 1
163 1 42 LEU QD 1 58 ILE H . . 4.930 5.002 4.853 5.217 0.287 10 0 "[ . 1 . 2]" 1
164 1 42 LEU QD 1 58 ILE MD . . 3.770 3.082 2.900 3.253 . 0 0 "[ . 1 . 2]" 1
165 1 42 LEU HG 1 43 ALA H . . 4.340 2.274 2.026 2.853 . 0 0 "[ . 1 . 2]" 1
166 1 42 LEU HG 1 43 ALA HA . . 3.950 4.042 3.703 4.217 0.267 1 0 "[ . 1 . 2]" 1
167 1 42 LEU HG 1 43 ALA MB . . 2.690 2.677 2.411 2.820 0.130 1 0 "[ . 1 . 2]" 1
168 1 43 ALA H 1 44 ALA H . . 4.010 2.407 2.338 2.451 . 0 0 "[ . 1 . 2]" 1
169 1 43 ALA H 1 144 HIS HD2 . . 4.190 3.942 3.676 4.424 0.234 20 0 "[ . 1 . 2]" 1
170 1 43 ALA HA 1 46 ALA H . . 4.280 3.706 3.549 3.883 . 0 0 "[ . 1 . 2]" 1
171 1 43 ALA HA 1 46 ALA MB . . 3.690 2.472 2.357 2.626 . 0 0 "[ . 1 . 2]" 1
172 1 43 ALA HA 1 47 LEU QB . . 5.330 3.903 3.748 4.034 . 0 0 "[ . 1 . 2]" 1
173 1 43 ALA HA 1 55 LEU MD1 . . 3.840 3.859 3.686 4.194 0.354 16 0 "[ . 1 . 2]" 1
174 1 43 ALA HA 1 55 LEU MD2 . . 3.390 3.077 2.924 3.281 . 0 0 "[ . 1 . 2]" 1
175 1 43 ALA HA 1 58 ILE MD . . 3.030 2.079 2.037 2.182 . 0 0 "[ . 1 . 2]" 1
176 1 43 ALA HA 1 144 HIS HD2 . . 5.500 5.861 5.349 6.118 0.618 19 8 "[ *.* -*1** . *+2]" 1
177 1 43 ALA MB 1 44 ALA H . . 4.120 2.540 2.444 2.642 . 0 0 "[ . 1 . 2]" 1
178 1 43 ALA MB 1 46 ALA H . . 4.870 4.775 4.669 4.879 0.009 8 0 "[ . 1 . 2]" 1
179 1 43 ALA MB 1 46 ALA MB . . 4.280 3.900 3.781 4.024 . 0 0 "[ . 1 . 2]" 1
180 1 43 ALA MB 1 55 LEU MD1 . . 3.670 3.472 3.175 3.741 0.071 11 0 "[ . 1 . 2]" 1
181 1 43 ALA MB 1 55 LEU MD2 . . 3.680 3.709 3.546 4.020 0.340 11 0 "[ . 1 . 2]" 1
182 1 43 ALA MB 1 58 ILE MD . . 2.690 2.138 2.075 2.220 . 0 0 "[ . 1 . 2]" 1
183 1 43 ALA MB 1 58 ILE MG . . 5.500 3.767 3.545 3.928 . 0 0 "[ . 1 . 2]" 1
184 1 43 ALA MB 1 144 HIS HD2 . . 3.430 3.243 2.978 3.496 0.066 12 0 "[ . 1 . 2]" 1
185 1 43 ALA MB 1 144 HIS HE1 . . 3.990 3.043 2.853 3.816 . 0 0 "[ . 1 . 2]" 1
186 1 44 ALA H 1 44 ALA MB . . 2.960 2.208 2.192 2.244 . 0 0 "[ . 1 . 2]" 1
187 1 44 ALA H 1 45 THR H . . 5.500 3.070 2.956 3.158 . 0 0 "[ . 1 . 2]" 1
188 1 44 ALA HA 1 45 THR MG . . 5.500 5.115 4.969 5.220 . 0 0 "[ . 1 . 2]" 1
189 1 44 ALA HA 1 47 LEU H . . 4.370 3.949 3.829 4.190 . 0 0 "[ . 1 . 2]" 1
190 1 44 ALA HA 1 47 LEU QB . . 3.690 3.312 3.033 3.470 . 0 0 "[ . 1 . 2]" 1
191 1 44 ALA HA 1 47 LEU HG . . 5.500 5.060 4.748 5.209 . 0 0 "[ . 1 . 2]" 1
192 1 44 ALA HA 1 48 ALA H . . 4.230 4.214 4.068 4.411 0.181 17 0 "[ . 1 . 2]" 1
193 1 44 ALA MB 1 45 THR H . . 3.120 2.402 2.206 2.539 . 0 0 "[ . 1 . 2]" 1
194 1 44 ALA MB 1 45 THR HA . . 4.100 4.020 3.923 4.087 . 0 0 "[ . 1 . 2]" 1
195 1 44 ALA MB 1 144 HIS QB . . 5.270 3.401 3.105 3.647 . 0 0 "[ . 1 . 2]" 1
196 1 44 ALA MB 1 144 HIS HD2 . . 3.340 2.604 2.120 3.372 0.032 18 0 "[ . 1 . 2]" 1
197 1 45 THR H 1 45 THR HB . . 2.970 2.589 2.459 2.712 . 0 0 "[ . 1 . 2]" 1
198 1 45 THR H 1 45 THR MG . . 3.980 2.071 1.903 2.224 . 0 0 "[ . 1 . 2]" 1
199 1 45 THR H 1 46 ALA H . . 4.000 2.651 2.582 2.729 . 0 0 "[ . 1 . 2]" 1
200 1 45 THR H 1 46 ALA MB . . 5.110 4.273 4.212 4.332 . 0 0 "[ . 1 . 2]" 1
201 1 45 THR H 1 48 ALA H . . 5.500 4.832 4.753 4.898 . 0 0 "[ . 1 . 2]" 1
202 1 45 THR H 1 48 ALA MB . . 5.500 4.622 4.567 4.719 . 0 0 "[ . 1 . 2]" 1
203 1 45 THR HA 1 47 LEU H . . 4.640 4.500 4.439 4.576 . 0 0 "[ . 1 . 2]" 1
204 1 45 THR HA 1 48 ALA H . . 3.350 3.564 3.449 3.718 0.368 18 0 "[ . 1 . 2]" 1
205 1 45 THR HA 1 48 ALA MB . . 2.400 2.489 2.375 2.663 0.263 18 0 "[ . 1 . 2]" 1
206 1 45 THR HB 1 46 ALA H . . 4.730 4.023 3.967 4.092 . 0 0 "[ . 1 . 2]" 1
207 1 45 THR MG 1 46 ALA HA . . 5.500 3.421 3.360 3.548 . 0 0 "[ . 1 . 2]" 1
208 1 45 THR MG 1 46 ALA MB . . 3.070 2.963 2.859 3.107 0.037 20 0 "[ . 1 . 2]" 1
209 1 45 THR MG 1 48 ALA H . . 4.980 5.212 5.152 5.250 0.270 18 0 "[ . 1 . 2]" 1
210 1 46 ALA H 1 46 ALA HA . . 2.790 2.861 2.821 2.906 0.116 6 0 "[ . 1 . 2]" 1
211 1 46 ALA H 1 46 ALA MB . . 2.620 2.195 2.179 2.221 . 0 0 "[ . 1 . 2]" 1
212 1 46 ALA H 1 47 LEU H . . 4.190 2.711 2.553 2.826 . 0 0 "[ . 1 . 2]" 1
213 1 46 ALA H 1 48 ALA H . . 4.330 4.190 4.012 4.314 . 0 0 "[ . 1 . 2]" 1
214 1 46 ALA H 1 49 ARG QD . . 4.890 4.771 3.814 5.231 0.341 20 0 "[ . 1 . 2]" 1
215 1 46 ALA H 1 51 ASP HB2 . . 5.500 5.782 5.588 6.223 0.723 11 1 "[ . 1+ . 2]" 1
216 1 46 ALA H 1 55 LEU MD2 . . 4.500 4.096 3.955 4.312 . 0 0 "[ . 1 . 2]" 1
217 1 46 ALA HA 1 49 ARG QD . . 3.860 2.614 2.087 3.053 . 0 0 "[ . 1 . 2]" 1
218 1 46 ALA HA 1 51 ASP H . . 3.990 3.465 3.185 3.598 . 0 0 "[ . 1 . 2]" 1
219 1 46 ALA HA 1 51 ASP HB2 . . 3.430 2.986 2.792 3.352 . 0 0 "[ . 1 . 2]" 1
220 1 46 ALA HA 1 51 ASP HB3 . . 4.140 4.127 3.148 4.803 0.663 12 1 "[ . 1 + . 2]" 1
221 1 46 ALA HA 1 54 VAL QG . . 3.570 3.660 3.555 3.745 0.175 15 0 "[ . 1 . 2]" 1
222 1 46 ALA MB 1 47 LEU H . . 3.480 2.658 2.601 2.709 . 0 0 "[ . 1 . 2]" 1
223 1 46 ALA MB 1 49 ARG QD . . 4.460 3.747 3.312 4.161 . 0 0 "[ . 1 . 2]" 1
224 1 46 ALA MB 1 51 ASP H . . 3.990 3.715 3.579 3.797 . 0 0 "[ . 1 . 2]" 1
225 1 46 ALA MB 1 51 ASP HB2 . . 3.360 3.363 3.017 3.911 0.551 11 1 "[ . 1+ . 2]" 1
226 1 46 ALA MB 1 51 ASP HB3 . . 3.990 3.596 2.800 4.222 0.232 12 0 "[ . 1 . 2]" 1
227 1 46 ALA MB 1 54 VAL H . . 4.370 4.437 4.328 4.592 0.222 11 0 "[ . 1 . 2]" 1
228 1 46 ALA MB 1 54 VAL QG . . 2.710 2.042 1.963 2.082 . 0 0 "[ . 1 . 2]" 1
229 1 46 ALA MB 1 55 LEU H . . 3.820 3.755 3.621 3.908 0.088 11 0 "[ . 1 . 2]" 1
230 1 46 ALA MB 1 55 LEU MD2 . . 2.900 1.987 1.944 2.113 . 0 0 "[ . 1 . 2]" 1
231 1 47 LEU H 1 47 LEU QB . . 3.240 2.167 2.151 2.191 . 0 0 "[ . 1 . 2]" 1
232 1 47 LEU H 1 48 ALA H . . 4.050 2.611 2.563 2.663 . 0 0 "[ . 1 . 2]" 1
233 1 47 LEU H 1 49 ARG H . . 4.560 4.192 4.114 4.282 . 0 0 "[ . 1 . 2]" 1
234 1 47 LEU H 1 50 LYS H . . 5.500 4.550 4.377 4.733 . 0 0 "[ . 1 . 2]" 1
235 1 47 LEU H 1 50 LYS HA . . 5.500 5.373 5.152 5.549 0.049 4 0 "[ . 1 . 2]" 1
236 1 47 LEU H 1 51 ASP HB2 . . 5.500 5.895 5.772 6.165 0.665 11 1 "[ . 1+ . 2]" 1
237 1 47 LEU HA 1 47 LEU MD1 . . 2.990 2.931 2.785 3.166 0.176 18 0 "[ . 1 . 2]" 1
238 1 47 LEU HA 1 50 LYS H . . 3.830 3.151 3.036 3.257 . 0 0 "[ . 1 . 2]" 1
239 1 47 LEU HA 1 50 LYS HA . . 3.270 2.923 2.659 3.099 . 0 0 "[ . 1 . 2]" 1
240 1 47 LEU HA 1 50 LYS QB . . 5.500 4.817 4.550 5.118 . 0 0 "[ . 1 . 2]" 1
241 1 47 LEU HA 1 51 ASP H . . 3.590 3.928 3.694 4.139 0.549 8 2 "[ . -+ 1 . 2]" 1
242 1 47 LEU HA 1 54 VAL QG . . 5.440 5.742 5.630 5.886 0.446 7 0 "[ . 1 . 2]" 1
243 1 47 LEU HA 1 55 LEU MD2 . . 3.350 2.642 2.533 2.772 . 0 0 "[ . 1 . 2]" 1
244 1 47 LEU HA 1 55 LEU HG . . 4.080 3.424 3.162 3.829 . 0 0 "[ . 1 . 2]" 1
245 1 47 LEU HA 1 73 PHE QE . . 5.500 5.304 5.085 5.463 . 0 0 "[ . 1 . 2]" 1
246 1 47 LEU QB 1 47 LEU HG . . 2.630 2.133 2.124 2.138 . 0 0 "[ . 1 . 2]" 1
247 1 47 LEU QB 1 48 ALA H . . 3.400 2.582 2.515 2.648 . 0 0 "[ . 1 . 2]" 1
248 1 47 LEU QB 1 50 LYS QD . . 5.500 4.957 4.525 5.613 0.113 4 0 "[ . 1 . 2]" 1
249 1 47 LEU QB 1 51 ASP H . . 5.500 5.603 5.436 5.748 0.248 8 0 "[ . 1 . 2]" 1
250 1 47 LEU QB 1 141 LEU MD1 . . 5.500 5.266 4.959 5.632 0.132 16 0 "[ . 1 . 2]" 1
251 1 47 LEU QB 1 141 LEU MD2 . . 5.500 5.036 4.880 5.153 . 0 0 "[ . 1 . 2]" 1
252 1 47 LEU MD1 1 48 ALA H . . 3.640 3.592 3.417 3.744 0.104 7 0 "[ . 1 . 2]" 1
253 1 47 LEU MD1 1 48 ALA MB . . 5.500 4.079 3.861 4.246 . 0 0 "[ . 1 . 2]" 1
254 1 47 LEU MD1 1 50 LYS H . . 3.940 4.307 4.189 4.465 0.525 18 1 "[ . 1 . + 2]" 1
255 1 47 LEU MD1 1 50 LYS QE . . 3.520 2.661 2.214 3.625 0.105 18 0 "[ . 1 . 2]" 1
256 1 47 LEU MD1 1 55 LEU MD2 . . 5.500 4.464 4.191 4.622 . 0 0 "[ . 1 . 2]" 1
257 1 47 LEU MD2 1 48 ALA H . . 4.850 4.754 4.607 4.817 . 0 0 "[ . 1 . 2]" 1
258 1 47 LEU MD2 1 49 ARG H . . 5.500 5.880 5.675 6.014 0.514 7 1 "[ . + 1 . 2]" 1
259 1 47 LEU MD2 1 50 LYS H . . 4.330 4.547 4.330 4.704 0.374 7 0 "[ . 1 . 2]" 1
260 1 47 LEU MD2 1 50 LYS HA . . 3.450 3.599 3.417 3.765 0.315 8 0 "[ . 1 . 2]" 1
261 1 47 LEU MD2 1 50 LYS QE . . 4.320 3.688 3.250 4.292 . 0 0 "[ . 1 . 2]" 1
262 1 47 LEU MD2 1 54 VAL QG . . 5.440 5.741 5.613 5.820 0.380 18 0 "[ . 1 . 2]" 1
263 1 48 ALA H 1 48 ALA MB . . 2.610 2.196 2.185 2.210 . 0 0 "[ . 1 . 2]" 1
264 1 48 ALA H 1 55 LEU MD2 . . 4.910 4.768 4.693 4.845 . 0 0 "[ . 1 . 2]" 1
265 1 48 ALA HA 1 50 LYS H . . 4.410 4.091 3.956 4.250 . 0 0 "[ . 1 . 2]" 1
266 1 48 ALA HA 1 50 LYS QB . . 5.500 5.249 5.084 5.979 0.479 4 0 "[ . 1 . 2]" 1
267 1 48 ALA HA 1 50 LYS QE . . 4.820 3.947 3.143 4.333 . 0 0 "[ . 1 . 2]" 1
268 1 48 ALA MB 1 49 ARG H . . 3.120 2.616 2.536 2.693 . 0 0 "[ . 1 . 2]" 1
269 1 48 ALA MB 1 50 LYS H . . 4.610 4.325 4.264 4.375 . 0 0 "[ . 1 . 2]" 1
270 1 48 ALA MB 1 50 LYS QE . . 5.500 5.080 4.458 5.442 . 0 0 "[ . 1 . 2]" 1
271 1 49 ARG H 1 49 ARG QD . . 3.980 3.889 3.332 4.204 0.224 17 0 "[ . 1 . 2]" 1
272 1 49 ARG H 1 50 LYS H . . 4.450 2.472 2.395 2.566 . 0 0 "[ . 1 . 2]" 1
273 1 49 ARG H 1 50 LYS HA . . 4.620 4.642 4.583 4.699 0.079 4 0 "[ . 1 . 2]" 1
274 1 49 ARG HA 1 49 ARG QD . . 4.640 4.535 4.507 4.607 . 0 0 "[ . 1 . 2]" 1
275 1 49 ARG HA 1 50 LYS QB . . 3.980 3.932 3.824 4.221 0.241 4 0 "[ . 1 . 2]" 1
276 1 49 ARG HA 1 50 LYS QE . . 5.500 4.945 4.620 5.237 . 0 0 "[ . 1 . 2]" 1
277 1 49 ARG QB 1 49 ARG QD . . 3.290 2.375 2.329 2.469 . 0 0 "[ . 1 . 2]" 1
278 1 49 ARG QD 1 51 ASP HB3 . . 4.230 3.689 3.438 4.185 . 0 0 "[ . 1 . 2]" 1
279 1 49 ARG QD 1 54 VAL QG . . 4.830 4.102 3.878 4.562 . 0 0 "[ . 1 . 2]" 1
280 1 49 ARG QG 1 50 LYS H . . 3.660 2.904 2.579 3.224 . 0 0 "[ . 1 . 2]" 1
281 1 49 ARG QG 1 51 ASP HA . . 4.320 3.841 3.711 3.961 . 0 0 "[ . 1 . 2]" 1
282 1 49 ARG QG 1 51 ASP HB2 . . 3.930 2.229 2.001 2.626 . 0 0 "[ . 1 . 2]" 1
283 1 49 ARG QG 1 51 ASP HB3 . . 4.020 3.715 3.209 3.929 . 0 0 "[ . 1 . 2]" 1
284 1 50 LYS H 1 50 LYS HA . . 2.760 2.220 2.209 2.245 . 0 0 "[ . 1 . 2]" 1
285 1 50 LYS H 1 50 LYS QD . . 3.820 3.755 2.438 3.969 0.149 14 0 "[ . 1 . 2]" 1
286 1 50 LYS H 1 50 LYS QE . . 4.040 3.382 3.019 4.001 . 0 0 "[ . 1 . 2]" 1
287 1 50 LYS H 1 51 ASP H . . 3.880 2.763 2.628 2.903 . 0 0 "[ . 1 . 2]" 1
288 1 50 LYS HA 1 50 LYS QD . . 3.440 2.290 2.191 3.182 . 0 0 "[ . 1 . 2]" 1
289 1 50 LYS HA 1 50 LYS QG . . 3.850 2.645 2.240 2.764 . 0 0 "[ . 1 . 2]" 1
290 1 50 LYS HA 1 51 ASP H . . 3.100 2.791 2.687 2.857 . 0 0 "[ . 1 . 2]" 1
291 1 50 LYS QB 1 50 LYS QD . . 3.320 2.861 2.402 2.931 . 0 0 "[ . 1 . 2]" 1
292 1 50 LYS QB 1 127 GLU H . . 5.500 5.460 5.099 5.941 0.441 12 0 "[ . 1 . 2]" 1
293 1 50 LYS QB 1 127 GLU QG . . 5.500 4.063 3.054 4.420 . 0 0 "[ . 1 . 2]" 1
294 1 50 LYS QD 1 51 ASP H . . 4.640 4.851 4.672 4.944 0.304 15 0 "[ . 1 . 2]" 1
295 1 50 LYS QD 1 127 GLU QB . . 5.500 5.577 4.334 6.304 0.804 20 3 "[ . - 1 * . +]" 1
296 1 50 LYS QE 1 55 LEU MD2 . . 5.500 5.680 5.287 6.172 0.672 19 3 "[ . 1 - * +2]" 1
297 1 50 LYS QG 1 51 ASP HA . . 5.500 5.199 5.063 6.089 0.589 4 1 "[ +. 1 . 2]" 1
298 1 51 ASP H 1 51 ASP HB2 . . 3.860 2.235 2.190 2.347 . 0 0 "[ . 1 . 2]" 1
299 1 51 ASP H 1 51 ASP HB3 . . 3.600 3.365 2.681 3.609 0.009 8 0 "[ . 1 . 2]" 1
300 1 51 ASP H 1 52 THR HA . . 4.760 5.273 5.171 5.355 0.595 3 13 "[ *+ ** * 1 **** ***-]" 1
301 1 51 ASP H 1 54 VAL QG . . 4.420 4.400 4.297 4.493 0.073 10 0 "[ . 1 . 2]" 1
302 1 51 ASP H 1 55 LEU QB . . 4.410 4.446 4.196 4.547 0.137 1 0 "[ . 1 . 2]" 1
303 1 51 ASP H 1 55 LEU MD2 . . 4.350 3.331 3.017 3.619 . 0 0 "[ . 1 . 2]" 1
304 1 51 ASP HA 1 53 ALA MB . . 4.490 4.130 3.983 4.411 . 0 0 "[ . 1 . 2]" 1
305 1 51 ASP HA 1 54 VAL H . . 4.750 4.652 4.526 4.748 . 0 0 "[ . 1 . 2]" 1
306 1 51 ASP HA 1 133 VAL QG . . 5.160 4.823 4.620 5.075 . 0 0 "[ . 1 . 2]" 1
307 1 51 ASP HB2 1 52 THR H . . 4.680 4.656 4.590 4.709 0.029 16 0 "[ . 1 . 2]" 1
308 1 51 ASP HB2 1 54 VAL QG . . 3.780 3.313 2.856 3.761 . 0 0 "[ . 1 . 2]" 1
309 1 51 ASP HB2 1 55 LEU MD2 . . 4.430 4.071 3.648 4.476 0.046 7 0 "[ . 1 . 2]" 1
310 1 51 ASP HB3 1 52 THR H . . 4.180 4.311 4.185 4.472 0.292 11 0 "[ . 1 . 2]" 1
311 1 51 ASP HB3 1 54 VAL HA . . 5.500 5.810 5.674 6.106 0.606 11 1 "[ . 1+ . 2]" 1
312 1 51 ASP HB3 1 54 VAL QG . . 3.900 2.385 2.213 2.636 . 0 0 "[ . 1 . 2]" 1
313 1 51 ASP HB3 1 55 LEU H . . 4.690 4.059 3.940 4.280 . 0 0 "[ . 1 . 2]" 1
314 1 52 THR H 1 52 THR HB . . 3.040 2.609 2.474 2.798 . 0 0 "[ . 1 . 2]" 1
315 1 52 THR H 1 53 ALA H . . 3.800 3.002 2.936 3.092 . 0 0 "[ . 1 . 2]" 1
316 1 52 THR H 1 133 VAL QG . . 3.680 3.467 3.321 3.631 . 0 0 "[ . 1 . 2]" 1
317 1 52 THR HA 1 52 THR MG . . 2.550 2.353 2.234 2.456 . 0 0 "[ . 1 . 2]" 1
318 1 52 THR HA 1 55 LEU MD2 . . 4.600 3.962 3.838 4.055 . 0 0 "[ . 1 . 2]" 1
319 1 52 THR HA 1 73 PHE QE . . 4.480 4.158 3.948 4.628 0.148 7 0 "[ . 1 . 2]" 1
320 1 52 THR HA 1 133 VAL QG . . 4.360 4.242 4.179 4.343 . 0 0 "[ . 1 . 2]" 1
321 1 52 THR HB 1 53 ALA H . . 3.680 3.202 3.041 3.314 . 0 0 "[ . 1 . 2]" 1
322 1 52 THR HB 1 73 PHE HB2 . . 5.500 5.833 5.531 6.133 0.633 7 5 "[ . +- * * . *2]" 1
323 1 52 THR HB 1 73 PHE QD . . 4.850 4.697 4.542 4.926 0.076 14 0 "[ . 1 . 2]" 1
324 1 52 THR HB 1 125 ALA MB . . 5.500 5.751 5.318 6.392 0.892 16 3 "[ . - .+ * 2]" 1
325 1 52 THR HB 1 133 VAL QG . . 3.160 2.252 2.119 2.423 . 0 0 "[ . 1 . 2]" 1
326 1 52 THR MG 1 53 ALA H . . 3.760 3.884 3.752 4.032 0.272 16 0 "[ . 1 . 2]" 1
327 1 52 THR MG 1 56 ASN H . . 3.500 3.303 3.105 3.423 . 0 0 "[ . 1 . 2]" 1
328 1 52 THR MG 1 56 ASN HB2 . . 3.370 3.087 2.857 3.461 0.091 1 0 "[ . 1 . 2]" 1
329 1 52 THR MG 1 56 ASN HB3 . . 3.570 4.010 3.818 4.235 0.665 12 6 "[ - . * * + * *]" 1
330 1 52 THR MG 1 57 ARG H . . 5.500 5.691 5.475 5.828 0.328 1 0 "[ . 1 . 2]" 1
331 1 52 THR MG 1 73 PHE HA . . 4.240 4.043 3.887 4.174 . 0 0 "[ . 1 . 2]" 1
332 1 52 THR MG 1 73 PHE HB2 . . 3.180 2.914 2.711 3.105 . 0 0 "[ . 1 . 2]" 1
333 1 52 THR MG 1 73 PHE HB3 . . 3.090 2.125 2.048 2.194 . 0 0 "[ . 1 . 2]" 1
334 1 52 THR MG 1 73 PHE QD . . 3.230 2.616 2.410 2.957 . 0 0 "[ . 1 . 2]" 1
335 1 52 THR MG 1 81 LEU HA . . 5.500 4.927 4.484 5.364 . 0 0 "[ . 1 . 2]" 1
336 1 52 THR MG 1 82 ALA H . . 4.500 4.443 4.194 4.617 0.117 11 0 "[ . 1 . 2]" 1
337 1 52 THR MG 1 133 VAL QG . . 2.490 2.328 2.173 2.524 0.034 16 0 "[ . 1 . 2]" 1
338 1 52 THR MG 1 137 VAL QG . . 5.440 3.818 3.040 4.348 . 0 0 "[ . 1 . 2]" 1
339 1 53 ALA H 1 54 VAL H . . 3.800 2.895 2.827 2.952 . 0 0 "[ . 1 . 2]" 1
340 1 53 ALA H 1 54 VAL QG . . 4.160 4.268 4.148 4.350 0.190 10 0 "[ . 1 . 2]" 1
341 1 53 ALA H 1 132 ARG QB . . 4.800 3.493 3.143 3.716 . 0 0 "[ . 1 . 2]" 1
342 1 53 ALA H 1 132 ARG HE . . 3.690 3.484 2.770 3.970 0.280 7 0 "[ . 1 . 2]" 1
343 1 53 ALA H 1 132 ARG QG . . 2.530 1.986 1.896 2.127 . 0 0 "[ . 1 . 2]" 1
344 1 53 ALA HA 1 54 VAL HA . . 4.800 4.639 4.615 4.680 . 0 0 "[ . 1 . 2]" 1
345 1 53 ALA HA 1 55 LEU H . . 4.680 4.817 4.727 4.916 0.236 6 0 "[ . 1 . 2]" 1
346 1 53 ALA MB 1 54 VAL HA . . 3.860 4.121 4.052 4.188 0.328 3 0 "[ . 1 . 2]" 1
347 1 53 ALA MB 1 54 VAL QG . . 3.520 3.443 3.281 3.579 0.059 20 0 "[ . 1 . 2]" 1
348 1 53 ALA MB 1 55 LEU MD2 . . 5.500 5.742 5.548 6.049 0.549 7 2 "[ . + 1 . -]" 1
349 1 53 ALA MB 1 56 ASN H . . 5.500 5.103 5.050 5.218 . 0 0 "[ . 1 . 2]" 1
350 1 53 ALA MB 1 132 ARG HE . . 3.420 2.971 2.238 3.231 . 0 0 "[ . 1 . 2]" 1
351 1 54 VAL H 1 54 VAL HB . . 2.990 2.967 2.905 3.040 0.050 18 0 "[ . 1 . 2]" 1
352 1 54 VAL H 1 54 VAL QG . . 2.740 2.142 2.020 2.244 . 0 0 "[ . 1 . 2]" 1
353 1 54 VAL H 1 55 LEU H . . 4.160 2.215 2.126 2.316 . 0 0 "[ . 1 . 2]" 1
354 1 54 VAL H 1 55 LEU MD2 . . 4.600 4.442 4.312 4.778 0.178 7 0 "[ . 1 . 2]" 1
355 1 54 VAL H 1 58 ILE MD . . 5.400 5.561 5.429 5.799 0.399 9 0 "[ . 1 . 2]" 1
356 1 54 VAL HA 1 54 VAL QG . . 2.590 2.261 2.209 2.326 . 0 0 "[ . 1 . 2]" 1
357 1 54 VAL HA 1 56 ASN H . . 4.920 4.112 4.008 4.178 . 0 0 "[ . 1 . 2]" 1
358 1 54 VAL HA 1 56 ASN HB3 . . 4.870 4.190 3.915 4.436 . 0 0 "[ . 1 . 2]" 1
359 1 54 VAL HA 1 57 ARG H . . 3.960 3.174 3.047 3.351 . 0 0 "[ . 1 . 2]" 1
360 1 54 VAL HA 1 57 ARG QB . . 3.360 2.983 2.832 3.129 . 0 0 "[ . 1 . 2]" 1
361 1 54 VAL HA 1 57 ARG HE . . 3.970 2.550 2.408 2.680 . 0 0 "[ . 1 . 2]" 1
362 1 54 VAL HA 1 58 ILE H . . 5.210 4.159 4.104 4.227 . 0 0 "[ . 1 . 2]" 1
363 1 54 VAL HB 1 55 LEU H . . 4.400 4.216 4.171 4.252 . 0 0 "[ . 1 . 2]" 1
364 1 54 VAL HB 1 57 ARG HE . . 5.500 4.497 4.339 4.631 . 0 0 "[ . 1 . 2]" 1
365 1 54 VAL QG 1 55 LEU H . . 3.310 2.502 2.378 2.570 . 0 0 "[ . 1 . 2]" 1
366 1 54 VAL QG 1 55 LEU QB . . 5.440 3.585 3.452 3.667 . 0 0 "[ . 1 . 2]" 1
367 1 54 VAL QG 1 55 LEU MD2 . . 3.080 2.725 2.528 3.048 . 0 0 "[ . 1 . 2]" 1
368 1 54 VAL QG 1 56 ASN H . . 5.080 4.376 4.318 4.430 . 0 0 "[ . 1 . 2]" 1
369 1 54 VAL QG 1 57 ARG QB . . 3.630 2.957 2.871 3.105 . 0 0 "[ . 1 . 2]" 1
370 1 54 VAL QG 1 57 ARG QD . . 3.430 3.337 3.077 3.693 0.263 18 0 "[ . 1 . 2]" 1
371 1 54 VAL QG 1 57 ARG HE . . 5.500 3.921 3.781 4.162 . 0 0 "[ . 1 . 2]" 1
372 1 54 VAL QG 1 59 ALA H . . 5.440 5.224 5.153 5.272 . 0 0 "[ . 1 . 2]" 1
373 1 55 LEU H 1 55 LEU MD1 . . 4.580 4.248 4.224 4.289 . 0 0 "[ . 1 . 2]" 1
374 1 55 LEU H 1 55 LEU MD2 . . 3.500 2.976 2.867 3.246 . 0 0 "[ . 1 . 2]" 1
375 1 55 LEU H 1 55 LEU HG . . 4.560 4.339 4.261 4.490 . 0 0 "[ . 1 . 2]" 1
376 1 55 LEU H 1 56 ASN H . . 4.390 2.835 2.789 2.898 . 0 0 "[ . 1 . 2]" 1
377 1 55 LEU H 1 56 ASN HB2 . . 5.500 5.363 5.060 5.689 0.189 1 0 "[ . 1 . 2]" 1
378 1 55 LEU H 1 57 ARG QD . . 5.500 6.437 6.199 6.587 1.087 19 20 [-*****************+*] 1
379 1 55 LEU H 1 58 ILE MD . . 4.830 4.183 4.069 4.386 . 0 0 "[ . 1 . 2]" 1
380 1 55 LEU H 1 73 PHE QE . . 5.500 5.573 5.399 6.002 0.502 7 1 "[ . + 1 . 2]" 1
381 1 55 LEU HA 1 55 LEU MD1 . . 3.350 2.146 2.117 2.234 . 0 0 "[ . 1 . 2]" 1
382 1 55 LEU HA 1 55 LEU MD2 . . 2.940 2.230 2.181 2.296 . 0 0 "[ . 1 . 2]" 1
383 1 55 LEU HA 1 58 ILE H . . 3.910 3.615 3.495 3.688 . 0 0 "[ . 1 . 2]" 1
384 1 55 LEU HA 1 58 ILE MD . . 3.830 2.441 2.350 2.627 . 0 0 "[ . 1 . 2]" 1
385 1 55 LEU HA 1 58 ILE QG . . 3.460 2.000 1.980 2.029 . 0 0 "[ . 1 . 2]" 1
386 1 55 LEU HA 1 73 PHE QE . . 4.960 4.680 4.552 5.005 0.045 7 0 "[ . 1 . 2]" 1
387 1 55 LEU QB 1 56 ASN H . . 4.330 2.904 2.764 3.001 . 0 0 "[ . 1 . 2]" 1
388 1 55 LEU QB 1 56 ASN HB3 . . 4.570 4.909 4.793 5.023 0.453 15 0 "[ . 1 . 2]" 1
389 1 55 LEU QB 1 58 ILE MD . . 5.500 3.932 3.846 4.038 . 0 0 "[ . 1 . 2]" 1
390 1 55 LEU QB 1 137 VAL QG . . 5.440 3.901 3.521 4.220 . 0 0 "[ . 1 . 2]" 1
391 1 55 LEU MD1 1 56 ASN H . . 4.500 4.551 4.289 4.649 0.149 9 0 "[ . 1 . 2]" 1
392 1 55 LEU MD1 1 57 ARG H . . 5.500 5.664 5.425 5.772 0.272 13 0 "[ . 1 . 2]" 1
393 1 55 LEU MD1 1 58 ILE MD . . 2.400 2.129 2.094 2.172 . 0 0 "[ . 1 . 2]" 1
394 1 55 LEU MD1 1 58 ILE QG . . 3.020 2.337 2.179 2.477 . 0 0 "[ . 1 . 2]" 1
395 1 55 LEU MD1 1 59 ALA H . . 4.650 3.598 3.381 3.706 . 0 0 "[ . 1 . 2]" 1
396 1 55 LEU MD1 1 73 PHE QD . . 4.400 4.243 3.967 4.348 . 0 0 "[ . 1 . 2]" 1
397 1 55 LEU MD1 1 73 PHE HZ . . 3.920 2.126 2.077 2.285 . 0 0 "[ . 1 . 2]" 1
398 1 55 LEU MD2 1 56 ASN H . . 4.630 4.725 4.658 4.847 0.217 16 0 "[ . 1 . 2]" 1
399 1 55 LEU MD2 1 58 ILE H . . 5.280 5.112 4.937 5.280 . 0 0 "[ . 1 . 2]" 1
400 1 55 LEU MD2 1 58 ILE QG . . 3.970 3.260 3.131 3.316 . 0 0 "[ . 1 . 2]" 1
401 1 55 LEU MD2 1 63 LEU QD . . 5.440 4.823 3.951 5.089 . 0 0 "[ . 1 . 2]" 1
402 1 55 LEU MD2 1 73 PHE QD . . 5.430 5.319 5.074 5.501 0.071 12 0 "[ . 1 . 2]" 1
403 1 55 LEU MD2 1 73 PHE QE . . 4.080 4.032 3.906 4.114 0.034 6 0 "[ . 1 . 2]" 1
404 1 55 LEU MD2 1 73 PHE HZ . . 5.070 4.799 4.674 4.939 . 0 0 "[ . 1 . 2]" 1
405 1 55 LEU HG 1 71 VAL QG . . 5.440 5.060 4.893 5.608 0.168 16 0 "[ . 1 . 2]" 1
406 1 55 LEU HG 1 73 PHE QD . . 4.480 4.222 3.837 4.467 . 0 0 "[ . 1 . 2]" 1
407 1 55 LEU HG 1 73 PHE QE . . 3.610 2.461 2.298 2.579 . 0 0 "[ . 1 . 2]" 1
408 1 56 ASN H 1 56 ASN HB2 . . 3.150 2.648 2.442 2.887 . 0 0 "[ . 1 . 2]" 1
409 1 56 ASN H 1 56 ASN HB3 . . 3.090 2.301 2.197 2.414 . 0 0 "[ . 1 . 2]" 1
410 1 56 ASN H 1 56 ASN QD . . 4.520 4.266 4.050 4.406 . 0 0 "[ . 1 . 2]" 1
411 1 56 ASN H 1 57 ARG H . . 3.600 3.035 2.997 3.086 . 0 0 "[ . 1 . 2]" 1
412 1 56 ASN H 1 57 ARG HE . . 4.450 4.761 4.566 4.963 0.513 11 1 "[ . 1+ . 2]" 1
413 1 56 ASN H 1 58 ILE QG . . 4.500 4.637 4.555 4.813 0.313 9 0 "[ . 1 . 2]" 1
414 1 56 ASN H 1 81 LEU QB . . 5.500 4.877 4.440 5.213 . 0 0 "[ . 1 . 2]" 1
415 1 56 ASN H 1 82 ALA MB . . 3.990 4.168 4.002 4.372 0.382 8 0 "[ . 1 . 2]" 1
416 1 56 ASN HA 1 60 ASN HD21 . . 3.470 3.369 3.167 3.681 0.211 20 0 "[ . 1 . 2]" 1
417 1 56 ASN HA 1 73 PHE QE . . 4.800 4.248 3.998 4.697 . 0 0 "[ . 1 . 2]" 1
418 1 56 ASN HB2 1 57 ARG H . . 4.170 3.929 3.845 4.066 . 0 0 "[ . 1 . 2]" 1
419 1 56 ASN HB2 1 57 ARG HE . . 4.800 5.198 4.862 5.526 0.726 11 7 "[* * . 1+ -*.** 2]" 1
420 1 56 ASN HB2 1 81 LEU QD . . 5.440 3.793 3.246 4.604 . 0 0 "[ . 1 . 2]" 1
421 1 56 ASN HB3 1 57 ARG HA . . 5.130 4.641 4.492 4.839 . 0 0 "[ . 1 . 2]" 1
422 1 56 ASN HB3 1 59 ALA MB . . 5.500 5.341 5.229 5.490 . 0 0 "[ . 1 . 2]" 1
423 1 56 ASN HB3 1 60 ASN HD21 . . 5.500 5.135 4.976 5.428 . 0 0 "[ . 1 . 2]" 1
424 1 56 ASN QD 1 57 ARG HA . . 3.380 3.236 2.835 3.700 0.320 16 0 "[ . 1 . 2]" 1
425 1 56 ASN QD 1 57 ARG QD . . 4.240 3.685 3.503 3.874 . 0 0 "[ . 1 . 2]" 1
426 1 56 ASN QD 1 57 ARG QG . . 3.210 2.261 2.022 2.578 . 0 0 "[ . 1 . 2]" 1
427 1 56 ASN QD 1 60 ASN HB2 . . 4.900 4.682 4.287 5.104 0.204 14 0 "[ . 1 . 2]" 1
428 1 56 ASN QD 1 60 ASN HD22 . . 5.500 4.508 4.055 4.858 . 0 0 "[ . 1 . 2]" 1
429 1 56 ASN QD 1 106 LEU HG . . 4.320 3.393 2.496 4.001 . 0 0 "[ . 1 . 2]" 1
430 1 57 ARG H 1 57 ARG QB . . 3.700 2.257 2.184 2.321 . 0 0 "[ . 1 . 2]" 1
431 1 57 ARG H 1 57 ARG QD . . 4.590 3.724 3.545 3.864 . 0 0 "[ . 1 . 2]" 1
432 1 57 ARG H 1 58 ILE H . . 3.740 2.807 2.731 2.887 . 0 0 "[ . 1 . 2]" 1
433 1 57 ARG H 1 58 ILE MD . . 5.500 5.390 5.255 5.595 0.095 9 0 "[ . 1 . 2]" 1
434 1 57 ARG H 1 58 ILE MG . . 4.160 4.279 4.167 4.419 0.259 11 0 "[ . 1 . 2]" 1
435 1 57 ARG H 1 59 ALA H . . 4.920 4.101 4.042 4.160 . 0 0 "[ . 1 . 2]" 1
436 1 57 ARG H 1 59 ALA MB . . 4.410 4.791 4.714 4.861 0.451 10 0 "[ . 1 . 2]" 1
437 1 57 ARG H 1 106 LEU QD . . 5.420 5.077 4.553 5.503 0.083 19 0 "[ . 1 . 2]" 1
438 1 57 ARG HA 1 57 ARG QB . . 2.730 2.462 2.432 2.495 . 0 0 "[ . 1 . 2]" 1
439 1 57 ARG HA 1 57 ARG QD . . 4.230 4.111 4.088 4.135 . 0 0 "[ . 1 . 2]" 1
440 1 57 ARG HA 1 57 ARG QG . . 3.140 2.239 2.184 2.283 . 0 0 "[ . 1 . 2]" 1
441 1 57 ARG HA 1 58 ILE HA . . 4.880 4.737 4.708 4.756 . 0 0 "[ . 1 . 2]" 1
442 1 57 ARG QB 1 58 ILE HA . . 3.760 3.912 3.847 3.993 0.233 11 0 "[ . 1 . 2]" 1
443 1 57 ARG QB 1 58 ILE MG . . 3.540 3.173 3.107 3.309 . 0 0 "[ . 1 . 2]" 1
444 1 57 ARG QB 1 59 ALA H . . 4.370 4.667 4.604 4.704 0.334 15 0 "[ . 1 . 2]" 1
445 1 57 ARG QB 1 61 GLU QG . . 5.500 3.922 3.620 4.290 . 0 0 "[ . 1 . 2]" 1
446 1 57 ARG QD 1 58 ILE H . . 4.290 4.721 4.580 4.849 0.559 19 4 "[ . - 1* . +*]" 1
447 1 57 ARG QD 1 106 LEU QD . . 5.070 4.766 4.145 5.301 0.231 16 0 "[ . 1 . 2]" 1
448 1 57 ARG HE 1 58 ILE MG . . 5.500 5.694 5.538 5.807 0.307 11 0 "[ . 1 . 2]" 1
449 1 57 ARG QG 1 60 ASN HB2 . . 5.000 4.521 4.176 4.753 . 0 0 "[ . 1 . 2]" 1
450 1 58 ILE H 1 58 ILE MD . . 3.580 3.641 3.570 3.755 0.175 9 0 "[ . 1 . 2]" 1
451 1 58 ILE H 1 58 ILE QG . . 2.830 2.417 2.328 2.605 . 0 0 "[ . 1 . 2]" 1
452 1 58 ILE H 1 58 ILE MG . . 3.310 2.097 2.038 2.149 . 0 0 "[ . 1 . 2]" 1
453 1 58 ILE H 1 59 ALA MB . . 4.520 4.508 4.479 4.542 0.022 1 0 "[ . 1 . 2]" 1
454 1 58 ILE H 1 61 GLU QG . . 5.500 5.234 4.997 5.595 0.095 8 0 "[ . 1 . 2]" 1
455 1 58 ILE H 1 63 LEU QD . . 5.440 5.441 4.874 5.571 0.131 4 0 "[ . 1 . 2]" 1
456 1 58 ILE HA 1 58 ILE MG . . 3.320 2.430 2.388 2.469 . 0 0 "[ . 1 . 2]" 1
457 1 58 ILE HA 1 61 GLU H . . 4.320 3.347 3.190 3.606 . 0 0 "[ . 1 . 2]" 1
458 1 58 ILE HA 1 62 ALA H . . 4.660 3.111 2.977 3.272 . 0 0 "[ . 1 . 2]" 1
459 1 58 ILE MD 1 58 ILE MG . . 2.660 2.020 1.992 2.039 . 0 0 "[ . 1 . 2]" 1
460 1 58 ILE MD 1 59 ALA H . . 5.160 4.125 4.066 4.240 . 0 0 "[ . 1 . 2]" 1
461 1 58 ILE MD 1 59 ALA MB . . 4.300 4.546 4.441 4.633 0.333 20 0 "[ . 1 . 2]" 1
462 1 58 ILE QG 1 73 PHE QE . . 5.200 5.014 4.918 5.235 0.035 7 0 "[ . 1 . 2]" 1
463 1 58 ILE MG 1 59 ALA H . . 4.010 4.058 4.004 4.105 0.095 3 0 "[ . 1 . 2]" 1
464 1 59 ALA H 1 59 ALA MB . . 3.510 2.233 2.216 2.253 . 0 0 "[ . 1 . 2]" 1
465 1 59 ALA H 1 60 ASN HD21 . . 5.500 4.384 4.236 4.530 . 0 0 "[ . 1 . 2]" 1
466 1 59 ALA H 1 61 GLU QB . . 5.500 5.270 5.086 5.435 . 0 0 "[ . 1 . 2]" 1
467 1 59 ALA H 1 61 GLU QG . . 5.230 5.729 5.544 6.080 0.850 8 8 "[ *.* + 1 ** .- * *]" 1
468 1 59 ALA H 1 63 LEU QB . . 4.500 4.644 4.573 4.686 0.186 5 0 "[ . 1 . 2]" 1
469 1 59 ALA H 1 63 LEU QD . . 4.600 3.828 3.281 3.947 . 0 0 "[ . 1 . 2]" 1
470 1 59 ALA HA 1 63 LEU H . . 3.770 2.490 2.359 2.642 . 0 0 "[ . 1 . 2]" 1
471 1 59 ALA HA 1 71 VAL QG . . 4.080 3.167 3.001 3.440 . 0 0 "[ . 1 . 2]" 1
472 1 59 ALA HA 1 73 PHE QE . . 5.500 4.452 4.290 4.599 . 0 0 "[ . 1 . 2]" 1
473 1 59 ALA HA 1 73 PHE HZ . . 5.500 4.645 4.503 4.853 . 0 0 "[ . 1 . 2]" 1
474 1 59 ALA HA 1 82 ALA MB . . 5.500 5.236 4.974 5.364 . 0 0 "[ . 1 . 2]" 1
475 1 59 ALA HA 1 84 ALA MB . . 4.600 3.750 3.603 3.864 . 0 0 "[ . 1 . 2]" 1
476 1 59 ALA MB 1 60 ASN H . . 3.720 2.540 2.445 2.815 . 0 0 "[ . 1 . 2]" 1
477 1 59 ALA MB 1 60 ASN HB2 . . 4.450 4.359 4.272 4.405 . 0 0 "[ . 1 . 2]" 1
478 1 59 ALA MB 1 61 GLU QB . . 5.500 5.781 5.681 5.893 0.393 20 0 "[ . 1 . 2]" 1
479 1 59 ALA MB 1 71 VAL QG . . 4.470 2.120 2.023 2.318 . 0 0 "[ . 1 . 2]" 1
480 1 59 ALA MB 1 73 PHE QD . . 3.950 3.653 3.404 3.761 . 0 0 "[ . 1 . 2]" 1
481 1 59 ALA MB 1 73 PHE QE . . 2.610 2.126 2.063 2.223 . 0 0 "[ . 1 . 2]" 1
482 1 59 ALA MB 1 73 PHE HZ . . 3.280 2.548 2.415 2.996 . 0 0 "[ . 1 . 2]" 1
483 1 59 ALA MB 1 82 ALA HA . . 5.500 4.906 4.688 5.085 . 0 0 "[ . 1 . 2]" 1
484 1 59 ALA MB 1 82 ALA MB . . 3.000 2.591 2.385 2.722 . 0 0 "[ . 1 . 2]" 1
485 1 59 ALA MB 1 83 HIS H . . 5.500 3.899 3.685 4.135 . 0 0 "[ . 1 . 2]" 1
486 1 59 ALA MB 1 83 HIS HA . . 5.500 4.381 4.224 4.574 . 0 0 "[ . 1 . 2]" 1
487 1 59 ALA MB 1 84 ALA H . . 5.500 4.499 4.279 4.602 . 0 0 "[ . 1 . 2]" 1
488 1 60 ASN H 1 60 ASN HB2 . . 3.630 2.280 2.209 2.347 . 0 0 "[ . 1 . 2]" 1
489 1 60 ASN H 1 60 ASN HB3 . . 3.590 3.549 3.510 3.579 . 0 0 "[ . 1 . 2]" 1
490 1 60 ASN H 1 60 ASN HD21 . . 4.000 2.380 2.235 2.613 . 0 0 "[ . 1 . 2]" 1
491 1 60 ASN H 1 60 ASN HD22 . . 4.180 3.885 3.785 4.139 . 0 0 "[ . 1 . 2]" 1
492 1 60 ASN H 1 61 GLU QG . . 4.080 4.523 4.212 4.944 0.864 6 6 "[ *.+ * 1 * .* - 2]" 1
493 1 60 ASN H 1 62 ALA H . . 5.130 4.768 4.557 4.955 . 0 0 "[ . 1 . 2]" 1
494 1 60 ASN H 1 63 LEU QB . . 4.440 4.757 4.662 4.975 0.535 16 1 "[ . 1 .+ 2]" 1
495 1 60 ASN H 1 63 LEU QD . . 4.690 5.037 4.674 5.117 0.427 1 0 "[ . 1 . 2]" 1
496 1 60 ASN HA 1 60 ASN HD22 . . 3.940 4.131 3.925 4.251 0.311 1 0 "[ . 1 . 2]" 1
497 1 60 ASN HA 1 61 GLU QB . . 5.500 5.430 5.276 5.535 0.035 18 0 "[ . 1 . 2]" 1
498 1 60 ASN HA 1 84 ALA HA . . 4.800 5.363 5.056 5.783 0.983 8 11 "[ ***.- + *** * **2]" 1
499 1 60 ASN HA 1 84 ALA MB . . 3.270 3.257 3.022 3.635 0.365 18 0 "[ . 1 . 2]" 1
500 1 60 ASN HB2 1 60 ASN HD22 . . 4.000 3.594 3.567 3.640 . 0 0 "[ . 1 . 2]" 1
501 1 60 ASN HB2 1 61 GLU H . . 3.640 3.406 2.911 3.873 0.233 19 0 "[ . 1 . 2]" 1
502 1 60 ASN HD21 1 61 GLU H . . 5.500 4.934 4.698 5.261 . 0 0 "[ . 1 . 2]" 1
503 1 60 ASN HD21 1 82 ALA MB . . 3.090 2.586 2.414 2.753 . 0 0 "[ . 1 . 2]" 1
504 1 60 ASN HD21 1 84 ALA MB . . 4.900 5.051 4.724 5.331 0.431 19 0 "[ . 1 . 2]" 1
505 1 60 ASN HD22 1 82 ALA H . . 5.500 5.427 5.208 5.642 0.142 9 0 "[ . 1 . 2]" 1
506 1 61 GLU H 1 61 GLU QG . . 3.570 2.851 2.516 3.232 . 0 0 "[ . 1 . 2]" 1
507 1 61 GLU H 1 62 ALA H . . 3.940 2.493 2.271 2.852 . 0 0 "[ . 1 . 2]" 1
508 1 61 GLU H 1 62 ALA MB . . 5.500 4.267 4.072 4.606 . 0 0 "[ . 1 . 2]" 1
509 1 61 GLU H 1 63 LEU H . . 4.650 3.667 3.090 4.380 . 0 0 "[ . 1 . 2]" 1
510 1 61 GLU H 1 63 LEU QB . . 4.650 4.935 4.352 5.707 1.057 16 3 "[ .* 1 .+ - 2]" 1
511 1 61 GLU H 1 64 ASP H . . 4.260 4.130 3.435 4.978 0.718 16 2 "[ .- 1 .+ 2]" 1
512 1 61 GLU QB 1 62 ALA MB . . 3.490 3.292 3.198 3.451 . 0 0 "[ . 1 . 2]" 1
513 1 61 GLU QG 1 62 ALA H . . 4.220 4.083 3.954 4.201 . 0 0 "[ . 1 . 2]" 1
514 1 61 GLU QG 1 62 ALA MB . . 4.860 4.919 4.839 5.066 0.206 20 0 "[ . 1 . 2]" 1
515 1 62 ALA H 1 62 ALA MB . . 2.770 2.258 2.226 2.326 . 0 0 "[ . 1 . 2]" 1
516 1 62 ALA H 1 63 LEU H . . 3.910 2.490 2.361 2.586 . 0 0 "[ . 1 . 2]" 1
517 1 62 ALA H 1 63 LEU QB . . 4.710 4.671 4.505 4.805 0.095 16 0 "[ . 1 . 2]" 1
518 1 62 ALA H 1 63 LEU QD . . 5.440 3.650 3.570 3.758 . 0 0 "[ . 1 . 2]" 1
519 1 62 ALA H 1 64 ASP H . . 4.580 3.743 3.510 3.979 . 0 0 "[ . 1 . 2]" 1
520 1 62 ALA HA 1 65 GLN HE22 . . 4.060 3.528 3.112 4.260 0.200 16 0 "[ . 1 . 2]" 1
521 1 62 ALA MB 1 63 LEU H . . 3.770 2.737 2.560 2.910 . 0 0 "[ . 1 . 2]" 1
522 1 62 ALA MB 1 63 LEU MD1 . . 5.500 4.173 2.274 4.566 . 0 0 "[ . 1 . 2]" 1
523 1 62 ALA MB 1 63 LEU MD2 . . 5.500 2.624 2.345 4.066 . 0 0 "[ . 1 . 2]" 1
524 1 62 ALA MB 1 64 ASP H . . 4.120 4.376 4.158 4.549 0.429 6 0 "[ . 1 . 2]" 1
525 1 62 ALA MB 1 64 ASP QB . . 5.340 5.222 5.006 5.427 0.087 18 0 "[ . 1 . 2]" 1
526 1 62 ALA MB 1 65 GLN H . . 4.790 4.798 4.669 4.939 0.149 20 0 "[ . 1 . 2]" 1
527 1 62 ALA MB 1 65 GLN HE21 . . 4.280 3.459 2.791 4.766 0.486 15 0 "[ . 1 . 2]" 1
528 1 62 ALA MB 1 65 GLN HE22 . . 3.630 3.515 2.990 4.151 0.521 15 2 "[ . - + 2]" 1
529 1 62 ALA MB 1 65 GLN QG . . 5.340 4.007 3.849 4.339 . 0 0 "[ . 1 . 2]" 1
530 1 62 ALA MB 1 68 VAL QG . . 5.500 4.141 4.044 4.288 . 0 0 "[ . 1 . 2]" 1
531 1 63 LEU H 1 63 LEU QB . . 3.390 2.494 2.448 2.615 . 0 0 "[ . 1 . 2]" 1
532 1 63 LEU H 1 63 LEU QD . . 3.960 2.316 2.199 2.406 . 0 0 "[ . 1 . 2]" 1
533 1 63 LEU H 1 63 LEU HG . . 4.610 3.933 3.857 4.255 . 0 0 "[ . 1 . 2]" 1
534 1 63 LEU H 1 64 ASP HA . . 5.340 5.149 5.062 5.345 0.005 16 0 "[ . 1 . 2]" 1
535 1 63 LEU H 1 64 ASP QB . . 5.340 4.109 3.981 4.282 . 0 0 "[ . 1 . 2]" 1
536 1 63 LEU H 1 65 GLN H . . 4.780 4.212 4.075 4.424 . 0 0 "[ . 1 . 2]" 1
537 1 63 LEU H 1 68 VAL QG . . 4.450 3.966 3.869 4.046 . 0 0 "[ . 1 . 2]" 1
538 1 63 LEU H 1 84 ALA MB . . 4.720 4.169 3.970 4.465 . 0 0 "[ . 1 . 2]" 1
539 1 63 LEU HA 1 64 ASP HA . . 4.880 4.792 4.686 4.850 . 0 0 "[ . 1 . 2]" 1
540 1 63 LEU HA 1 65 GLN H . . 4.810 3.463 3.244 3.849 . 0 0 "[ . 1 . 2]" 1
541 1 63 LEU HA 1 65 GLN HB2 . . 5.500 4.221 4.040 4.475 . 0 0 "[ . 1 . 2]" 1
542 1 63 LEU HA 1 68 VAL QG . . 3.360 1.864 1.815 1.932 . 0 0 "[ . 1 . 2]" 1
543 1 63 LEU QB 1 64 ASP QB . . 4.970 4.405 4.172 4.721 . 0 0 "[ . 1 . 2]" 1
544 1 63 LEU QB 1 71 VAL QG . . 3.120 2.053 1.911 2.103 . 0 0 "[ . 1 . 2]" 1
545 1 63 LEU QD 1 69 ARG H . . 5.050 4.353 4.024 6.198 1.148 16 2 "[ . - .+ 2]" 1
546 1 63 LEU QD 1 70 ALA H . . 5.440 4.221 3.817 6.087 0.647 16 1 "[ . 1 .+ 2]" 1
547 1 63 LEU QD 1 71 VAL HA . . 5.440 4.483 4.279 5.060 . 0 0 "[ . 1 . 2]" 1
548 1 63 LEU QD 1 71 VAL QG . . 2.460 2.363 1.890 2.533 0.073 5 0 "[ . 1 . 2]" 1
549 1 63 LEU QD 1 73 PHE QE . . 3.210 4.418 3.369 4.635 1.425 5 18 "[-***+****1***** ****]" 1
550 1 63 LEU QD 1 73 PHE HZ . . 3.180 3.987 2.480 4.299 1.119 5 18 "[****+**-*1***** ****]" 1
551 1 63 LEU QD 1 84 ALA H . . 5.440 5.604 5.489 5.857 0.417 20 0 "[ . 1 . 2]" 1
552 1 63 LEU QD 1 84 ALA MB . . 5.440 3.702 3.594 3.932 . 0 0 "[ . 1 . 2]" 1
553 1 63 LEU QD 1 141 LEU QD . . 2.560 1.850 1.787 2.084 . 0 0 "[ . 1 . 2]" 1
554 1 63 LEU HG 1 141 LEU QD . . 4.170 3.518 2.037 3.758 . 0 0 "[ . 1 . 2]" 1
555 1 64 ASP H 1 64 ASP QB . . 3.350 2.150 2.014 2.255 . 0 0 "[ . 1 . 2]" 1
556 1 64 ASP H 1 65 GLN H . . 3.550 2.622 2.347 2.765 . 0 0 "[ . 1 . 2]" 1
557 1 64 ASP H 1 65 GLN QG . . 5.340 3.825 3.482 4.034 . 0 0 "[ . 1 . 2]" 1
558 1 64 ASP H 1 68 VAL QG . . 3.550 3.746 3.431 3.872 0.322 11 0 "[ . 1 . 2]" 1
559 1 64 ASP H 1 84 ALA MB . . 4.590 3.394 3.205 3.778 . 0 0 "[ . 1 . 2]" 1
560 1 64 ASP HA 1 64 ASP QB . . 2.600 2.426 2.314 2.575 . 0 0 "[ . 1 . 2]" 1
561 1 64 ASP HA 1 65 GLN H . . 3.530 3.401 3.298 3.502 . 0 0 "[ . 1 . 2]" 1
562 1 64 ASP HA 1 68 VAL QG . . 4.200 4.055 3.705 4.195 . 0 0 "[ . 1 . 2]" 1
563 1 64 ASP QB 1 65 GLN H . . 3.820 3.244 2.890 3.477 . 0 0 "[ . 1 . 2]" 1
564 1 65 GLN H 1 65 GLN HB3 . . 3.580 3.566 3.530 3.600 0.020 5 0 "[ . 1 . 2]" 1
565 1 65 GLN H 1 67 ASP H . . 5.040 5.076 4.871 5.224 0.184 4 0 "[ . 1 . 2]" 1
566 1 65 GLN H 1 68 VAL QG . . 3.220 2.625 2.372 2.943 . 0 0 "[ . 1 . 2]" 1
567 1 65 GLN H 1 97 ALA HA . . 5.500 4.818 4.051 6.016 0.516 5 1 "[ + 1 . 2]" 1
568 1 65 GLN HA 1 65 GLN HE21 . . 5.500 4.791 4.553 4.954 . 0 0 "[ . 1 . 2]" 1
569 1 65 GLN HA 1 66 PRO QG . . 5.500 4.135 4.066 4.199 . 0 0 "[ . 1 . 2]" 1
570 1 65 GLN HB2 1 65 GLN HE22 . . 4.690 3.674 3.621 3.731 . 0 0 "[ . 1 . 2]" 1
571 1 65 GLN HB2 1 68 VAL H . . 5.150 4.170 3.931 4.608 . 0 0 "[ . 1 . 2]" 1
572 1 65 GLN HB2 1 68 VAL HB . . 5.500 4.481 4.353 4.646 . 0 0 "[ . 1 . 2]" 1
573 1 65 GLN HB2 1 97 ALA HA . . 4.420 4.903 4.623 5.263 0.843 18 9 "[ * * *1 **-.* +*2]" 1
574 1 65 GLN HB3 1 65 GLN HE22 . . 4.910 4.004 3.714 4.157 . 0 0 "[ . 1 . 2]" 1
575 1 65 GLN HB3 1 66 PRO QD . . 4.140 2.155 2.086 2.263 . 0 0 "[ . 1 . 2]" 1
576 1 65 GLN HB3 1 67 ASP H . . 4.630 2.786 2.512 3.059 . 0 0 "[ . 1 . 2]" 1
577 1 65 GLN HE21 1 68 VAL QG . . 4.210 3.385 3.236 3.794 . 0 0 "[ . 1 . 2]" 1
578 1 65 GLN HE21 1 97 ALA HA . . 5.500 5.759 5.213 6.237 0.737 9 2 "[ . +1 - . 2]" 1
579 1 65 GLN QG 1 97 ALA HA . . 2.850 2.387 2.074 2.876 0.026 12 0 "[ . 1 . 2]" 1
580 1 65 GLN HG2 1 97 ALA HA . . 3.300 2.427 2.101 3.035 . 0 0 "[ . 1 . 2]" 1
581 1 65 GLN HG3 1 97 ALA HA . . 3.300 3.676 3.182 4.042 0.742 16 8 "[* ** *- * .+ *]" 1
582 1 66 PRO HA 1 67 ASP H . . 3.420 3.486 3.396 3.531 0.111 9 0 "[ . 1 . 2]" 1
583 1 66 PRO HA 1 150 GLY QA . . 5.500 5.559 5.083 5.923 0.423 14 0 "[ . 1 . 2]" 1
584 1 66 PRO QB 1 67 ASP H . . 3.800 3.681 3.582 3.875 0.075 2 0 "[ . 1 . 2]" 1
585 1 66 PRO QB 1 150 GLY QA . . 4.180 4.029 2.980 4.560 0.380 14 0 "[ . 1 . 2]" 1
586 1 66 PRO QD 1 67 ASP H . . 3.200 3.093 2.981 3.183 . 0 0 "[ . 1 . 2]" 1
587 1 66 PRO QG 1 67 ASP H . . 3.330 2.996 2.843 3.307 . 0 0 "[ . 1 . 2]" 1
588 1 66 PRO QG 1 149 ARG QH1 . . 5.500 5.169 3.344 6.198 0.698 8 2 "[ - + 1 . 2]" 1
589 1 67 ASP H 1 67 ASP HB2 . . 3.860 3.551 2.400 3.744 . 0 0 "[ . 1 . 2]" 1
590 1 67 ASP H 1 67 ASP QB . . 3.140 2.535 2.163 2.767 . 0 0 "[ . 1 . 2]" 1
591 1 67 ASP H 1 67 ASP HB3 . . 3.860 2.606 2.457 2.865 . 0 0 "[ . 1 . 2]" 1
592 1 67 ASP H 1 149 ARG QH1 . . 5.020 4.542 3.411 5.253 0.233 5 0 "[ . 1 . 2]" 1
593 1 67 ASP H 1 150 GLY QA . . 4.400 3.813 2.906 4.571 0.171 8 0 "[ . 1 . 2]" 1
594 1 67 ASP HA 1 150 GLY QA . . 5.500 4.448 2.349 6.033 0.533 16 1 "[ . 1 .+ 2]" 1
595 1 67 ASP QB 1 148 LEU QB . . 3.990 3.792 2.557 4.644 0.654 20 4 "[ - *. 1 .* +]" 1
596 1 67 ASP QB 1 148 LEU QD . . 5.340 4.067 2.962 5.029 . 0 0 "[ . 1 . 2]" 1
597 1 67 ASP QB 1 149 ARG QH1 . . 3.630 2.615 1.890 3.833 0.203 6 0 "[ . 1 . 2]" 1
598 1 67 ASP HB2 1 149 ARG QH1 . . 4.400 2.985 1.925 5.147 0.747 6 1 "[ .+ 1 . 2]" 1
599 1 67 ASP HB3 1 149 ARG QH1 . . 4.400 3.256 2.165 3.954 . 0 0 "[ . 1 . 2]" 1
600 1 68 VAL H 1 68 VAL HB . . 3.830 2.493 2.430 2.618 . 0 0 "[ . 1 . 2]" 1
601 1 68 VAL H 1 68 VAL QG . . 2.820 2.305 2.175 2.488 . 0 0 "[ . 1 . 2]" 1
602 1 68 VAL H 1 69 ARG HA . . 5.490 5.392 5.102 5.586 0.096 8 0 "[ . 1 . 2]" 1
603 1 68 VAL H 1 141 LEU QB . . 5.500 5.686 5.376 5.888 0.388 5 0 "[ . 1 . 2]" 1
604 1 68 VAL H 1 149 ARG QH1 . . 5.500 5.245 4.158 6.184 0.684 6 1 "[ .+ 1 . 2]" 1
605 1 68 VAL HA 1 68 VAL QG . . 2.620 2.168 2.134 2.185 . 0 0 "[ . 1 . 2]" 1
606 1 68 VAL HA 1 69 ARG QG . . 3.710 3.489 3.299 3.704 . 0 0 "[ . 1 . 2]" 1
607 1 68 VAL HA 1 70 ALA H . . 4.790 4.705 4.560 4.989 0.199 20 0 "[ . 1 . 2]" 1
608 1 68 VAL HA 1 141 LEU QD . . 5.440 4.615 4.222 4.819 . 0 0 "[ . 1 . 2]" 1
609 1 68 VAL HB 1 69 ARG HA . . 4.870 5.038 4.853 5.151 0.281 14 0 "[ . 1 . 2]" 1
610 1 68 VAL HB 1 141 LEU QD . . 5.440 5.666 5.109 5.816 0.376 5 0 "[ . 1 . 2]" 1
611 1 68 VAL QG 1 69 ARG H . . 3.450 2.207 2.129 2.319 . 0 0 "[ . 1 . 2]" 1
612 1 68 VAL QG 1 69 ARG HA . . 3.930 3.895 3.813 3.956 0.026 10 0 "[ . 1 . 2]" 1
613 1 68 VAL QG 1 69 ARG QD . . 5.500 4.932 4.365 5.534 0.034 15 0 "[ . 1 . 2]" 1
614 1 68 VAL QG 1 70 ALA H . . 3.750 2.698 2.610 2.829 . 0 0 "[ . 1 . 2]" 1
615 1 68 VAL QG 1 84 ALA H . . 5.500 5.554 5.370 5.633 0.133 20 0 "[ . 1 . 2]" 1
616 1 68 VAL QG 1 84 ALA MB . . 3.350 3.488 3.302 3.745 0.395 16 0 "[ . 1 . 2]" 1
617 1 68 VAL QG 1 85 GLY H . . 4.780 4.270 4.027 4.477 . 0 0 "[ . 1 . 2]" 1
618 1 68 VAL QG 1 140 GLU H . . 5.010 4.525 4.300 4.788 . 0 0 "[ . 1 . 2]" 1
619 1 68 VAL QG 1 140 GLU HA . . 5.500 5.512 5.374 5.643 0.143 3 0 "[ . 1 . 2]" 1
620 1 68 VAL QG 1 140 GLU QB . . 5.430 4.496 4.297 4.757 . 0 0 "[ . 1 . 2]" 1
621 1 68 VAL QG 1 141 LEU HA . . 3.550 3.207 2.977 3.375 . 0 0 "[ . 1 . 2]" 1
622 1 69 ARG H 1 69 ARG QG . . 4.510 2.358 2.138 2.586 . 0 0 "[ . 1 . 2]" 1
623 1 69 ARG H 1 71 VAL QG . . 5.440 5.564 4.318 5.931 0.491 5 0 "[ . 1 . 2]" 1
624 1 69 ARG H 1 85 GLY QA . . 5.460 5.168 4.986 5.325 . 0 0 "[ . 1 . 2]" 1
625 1 69 ARG H 1 140 GLU QB . . 4.380 4.324 3.986 4.691 0.311 3 0 "[ . 1 . 2]" 1
626 1 69 ARG H 1 141 LEU QB . . 4.390 3.237 2.928 3.385 . 0 0 "[ . 1 . 2]" 1
627 1 69 ARG H 1 141 LEU QD . . 5.440 4.519 4.276 4.680 . 0 0 "[ . 1 . 2]" 1
628 1 69 ARG HA 1 69 ARG QD . . 3.810 2.896 2.092 3.946 0.136 1 0 "[ . 1 . 2]" 1
629 1 69 ARG HA 1 69 ARG QG . . 3.420 2.902 2.368 3.228 . 0 0 "[ . 1 . 2]" 1
630 1 69 ARG HA 1 70 ALA MB . . 4.180 4.254 4.137 4.336 0.156 12 0 "[ . 1 . 2]" 1
631 1 69 ARG HA 1 141 LEU HA . . 5.020 5.094 4.778 5.324 0.304 16 0 "[ . 1 . 2]" 1
632 1 69 ARG QB 1 70 ALA H . . 4.700 2.365 2.147 2.621 . 0 0 "[ . 1 . 2]" 1
633 1 69 ARG QB 1 141 LEU H . . 4.980 4.048 3.756 4.439 . 0 0 "[ . 1 . 2]" 1
634 1 69 ARG QD 1 140 GLU QB . . 4.560 4.831 2.466 5.598 1.038 3 11 "[ *+ ** *** .**-*2]" 1
635 1 69 ARG QG 1 140 GLU HA . . 4.630 4.489 4.036 5.141 0.511 15 1 "[ . 1 + 2]" 1
636 1 70 ALA H 1 71 VAL QG . . 5.440 4.412 3.273 4.737 . 0 0 "[ . 1 . 2]" 1
637 1 70 ALA H 1 84 ALA MB . . 5.500 6.126 5.889 6.376 0.876 16 17 "[ -*************+* *]" 1
638 1 70 ALA H 1 85 GLY QA . . 4.730 4.346 4.152 4.490 . 0 0 "[ . 1 . 2]" 1
639 1 70 ALA HA 1 88 MET H . . 5.160 4.866 4.432 5.288 0.128 20 0 "[ . 1 . 2]" 1
640 1 70 ALA MB 1 88 MET QB . . 4.450 3.814 2.548 4.321 . 0 0 "[ . 1 . 2]" 1
641 1 70 ALA MB 1 88 MET QG . . 4.380 2.624 2.092 4.004 . 0 0 "[ . 1 . 2]" 1
642 1 70 ALA MB 1 118 ARG HE . . 5.500 4.321 2.308 6.594 1.094 3 1 "[ + . 1 . 2]" 1
643 1 71 VAL H 1 84 ALA MB . . 4.050 4.041 3.835 4.194 0.144 8 0 "[ . 1 . 2]" 1
644 1 71 VAL HA 1 138 GLU H . . 5.500 4.271 4.063 4.467 . 0 0 "[ . 1 . 2]" 1
645 1 71 VAL QG 1 72 THR H . . 4.260 2.393 2.144 3.292 . 0 0 "[ . 1 . 2]" 1
646 1 71 VAL QG 1 73 PHE QD . . 4.520 3.478 3.320 3.992 . 0 0 "[ . 1 . 2]" 1
647 1 71 VAL QG 1 73 PHE QE . . 3.920 2.148 2.083 2.358 . 0 0 "[ . 1 . 2]" 1
648 1 71 VAL QG 1 83 HIS HA . . 5.440 2.976 2.746 3.371 . 0 0 "[ . 1 . 2]" 1
649 1 71 VAL QG 1 84 ALA H . . 3.790 2.392 2.228 2.569 . 0 0 "[ . 1 . 2]" 1
650 1 71 VAL QG 1 84 ALA HA . . 4.570 3.775 3.658 3.990 . 0 0 "[ . 1 . 2]" 1
651 1 71 VAL QG 1 84 ALA MB . . 3.080 2.017 1.958 2.052 . 0 0 "[ . 1 . 2]" 1
652 1 71 VAL QG 1 85 GLY QA . . 4.460 4.152 3.825 4.306 . 0 0 "[ . 1 . 2]" 1
653 1 71 VAL QG 1 138 GLU H . . 5.500 4.018 3.742 5.010 . 0 0 "[ . 1 . 2]" 1
654 1 71 VAL QG 1 138 GLU QB . . 4.550 3.746 3.378 4.054 . 0 0 "[ . 1 . 2]" 1
655 1 71 VAL QG 1 141 LEU QD . . 3.080 3.055 2.223 3.411 0.331 11 0 "[ . 1 . 2]" 1
656 1 72 THR H 1 72 THR MG . . 4.610 4.068 4.009 4.110 . 0 0 "[ . 1 . 2]" 1
657 1 72 THR H 1 138 GLU QB . . 4.560 2.533 2.318 2.853 . 0 0 "[ . 1 . 2]" 1
658 1 72 THR HA 1 72 THR MG . . 3.410 2.204 2.142 2.251 . 0 0 "[ . 1 . 2]" 1
659 1 72 THR HA 1 83 HIS HA . . 3.570 2.142 2.097 2.241 . 0 0 "[ . 1 . 2]" 1
660 1 72 THR HA 1 83 HIS HB2 . . 4.260 3.896 3.719 4.067 . 0 0 "[ . 1 . 2]" 1
661 1 72 THR HB 1 83 HIS HA . . 5.230 4.949 4.818 5.058 . 0 0 "[ . 1 . 2]" 1
662 1 72 THR HB 1 83 HIS HB3 . . 4.790 4.830 4.601 4.933 0.143 2 0 "[ . 1 . 2]" 1
663 1 72 THR HB 1 117 GLY QA . . 4.190 3.392 2.739 3.998 . 0 0 "[ . 1 . 2]" 1
664 1 72 THR HB 1 136 TRP HE3 . . 3.440 3.292 3.059 3.539 0.099 2 0 "[ . 1 . 2]" 1
665 1 72 THR HB 1 137 VAL HA . . 4.170 3.926 3.684 4.387 0.217 16 0 "[ . 1 . 2]" 1
666 1 72 THR HB 1 138 GLU H . . 3.590 3.160 2.945 3.450 . 0 0 "[ . 1 . 2]" 1
667 1 72 THR HB 1 138 GLU HA . . 5.500 5.222 4.976 5.568 0.068 20 0 "[ . 1 . 2]" 1
668 1 72 THR HB 1 138 GLU QB . . 2.970 2.785 2.418 3.144 0.174 1 0 "[ . 1 . 2]" 1
669 1 72 THR MG 1 73 PHE H . . 3.900 2.277 2.178 2.435 . 0 0 "[ . 1 . 2]" 1
670 1 72 THR MG 1 73 PHE HA . . 4.390 4.376 4.219 4.594 0.204 1 0 "[ . 1 . 2]" 1
671 1 72 THR MG 1 73 PHE HB2 . . 5.500 4.884 4.775 4.998 . 0 0 "[ . 1 . 2]" 1
672 1 72 THR MG 1 74 LEU QB . . 5.500 4.040 3.874 4.319 . 0 0 "[ . 1 . 2]" 1
673 1 72 THR MG 1 80 ARG QG . . 2.990 2.793 2.603 3.094 0.104 16 0 "[ . 1 . 2]" 1
674 1 72 THR MG 1 83 HIS HA . . 3.750 3.031 2.695 3.285 . 0 0 "[ . 1 . 2]" 1
675 1 72 THR MG 1 83 HIS HB2 . . 4.330 2.868 2.691 3.021 . 0 0 "[ . 1 . 2]" 1
676 1 72 THR MG 1 83 HIS HB3 . . 3.930 2.155 2.032 2.214 . 0 0 "[ . 1 . 2]" 1
677 1 72 THR MG 1 83 HIS HD2 . . 4.220 3.722 3.371 4.072 . 0 0 "[ . 1 . 2]" 1
678 1 72 THR MG 1 84 ALA H . . 4.310 4.090 3.742 4.365 0.055 11 0 "[ . 1 . 2]" 1
679 1 72 THR MG 1 89 LEU QD . . 5.500 5.665 5.354 6.075 0.575 20 1 "[ . 1 . +]" 1
680 1 72 THR MG 1 117 GLY H . . 3.520 2.730 1.945 3.425 . 0 0 "[ . 1 . 2]" 1
681 1 72 THR MG 1 117 GLY QA . . 3.770 2.381 1.973 2.925 . 0 0 "[ . 1 . 2]" 1
682 1 72 THR MG 1 136 TRP HE3 . . 4.070 4.158 4.002 4.290 0.220 1 0 "[ . 1 . 2]" 1
683 1 72 THR MG 1 137 VAL QG . . 5.440 5.256 4.995 5.415 . 0 0 "[ . 1 . 2]" 1
684 1 72 THR MG 1 138 GLU H . . 5.120 4.616 4.472 4.833 . 0 0 "[ . 1 . 2]" 1
685 1 72 THR MG 1 138 GLU QB . . 5.500 3.904 3.720 4.045 . 0 0 "[ . 1 . 2]" 1
686 1 73 PHE HA 1 73 PHE QD . . 3.860 3.220 3.116 3.282 . 0 0 "[ . 1 . 2]" 1
687 1 73 PHE HA 1 73 PHE QE . . 4.900 4.917 4.811 5.003 0.103 5 0 "[ . 1 . 2]" 1
688 1 73 PHE HA 1 74 LEU H . . 3.170 2.229 2.207 2.250 . 0 0 "[ . 1 . 2]" 1
689 1 73 PHE HA 1 81 LEU QD . . 4.200 4.313 3.918 4.649 0.449 1 0 "[ . 1 . 2]" 1
690 1 73 PHE HA 1 82 ALA H . . 4.550 4.902 4.823 4.983 0.433 11 0 "[ . 1 . 2]" 1
691 1 73 PHE HA 1 133 VAL QG . . 4.590 4.089 3.865 4.389 . 0 0 "[ . 1 . 2]" 1
692 1 73 PHE HA 1 136 TRP HA . . 5.500 5.750 5.664 5.891 0.391 7 0 "[ . 1 . 2]" 1
693 1 73 PHE HA 1 137 VAL MG1 . . 4.310 4.089 3.544 4.627 0.317 20 0 "[ . 1 . 2]" 1
694 1 73 PHE HA 1 137 VAL QG . . 3.690 3.126 2.236 3.472 . 0 0 "[ . 1 . 2]" 1
695 1 73 PHE HA 1 137 VAL MG2 . . 4.310 3.267 2.260 3.664 . 0 0 "[ . 1 . 2]" 1
696 1 73 PHE HB2 1 74 LEU H . . 4.670 4.052 3.934 4.221 . 0 0 "[ . 1 . 2]" 1
697 1 73 PHE HB2 1 74 LEU HA . . 4.960 4.580 4.491 4.722 . 0 0 "[ . 1 . 2]" 1
698 1 73 PHE HB2 1 81 LEU QD . . 4.560 3.355 3.050 3.723 . 0 0 "[ . 1 . 2]" 1
699 1 73 PHE HB2 1 82 ALA H . . 3.570 2.454 2.329 2.613 . 0 0 "[ . 1 . 2]" 1
700 1 73 PHE HB2 1 133 VAL QG . . 4.820 4.549 4.292 4.783 . 0 0 "[ . 1 . 2]" 1
701 1 73 PHE HB3 1 74 LEU H . . 4.150 3.218 3.071 3.459 . 0 0 "[ . 1 . 2]" 1
702 1 73 PHE HB3 1 133 VAL QG . . 4.110 3.413 3.195 3.604 . 0 0 "[ . 1 . 2]" 1
703 1 73 PHE HB3 1 136 TRP HZ3 . . 5.500 5.408 5.315 5.596 0.096 19 0 "[ . 1 . 2]" 1
704 1 73 PHE HB3 1 137 VAL HA . . 4.540 4.431 4.236 4.730 0.190 20 0 "[ . 1 . 2]" 1
705 1 73 PHE HB3 1 137 VAL QG . . 4.860 3.614 2.642 4.062 . 0 0 "[ . 1 . 2]" 1
706 1 73 PHE QD 1 84 ALA H . . 4.690 5.256 4.812 5.415 0.725 18 17 "[****** **1-**** *+**]" 1
707 1 73 PHE QD 1 137 VAL HB . . 4.030 3.009 2.376 4.518 0.488 19 0 "[ . 1 . 2]" 1
708 1 73 PHE QD 1 137 VAL MG1 . . 3.710 3.301 2.542 4.082 0.372 20 0 "[ . 1 . 2]" 1
709 1 73 PHE QD 1 137 VAL QG . . 3.010 2.350 1.977 2.585 . 0 0 "[ . 1 . 2]" 1
710 1 73 PHE QD 1 137 VAL MG2 . . 3.710 2.411 2.038 2.645 . 0 0 "[ . 1 . 2]" 1
711 1 73 PHE QE 1 82 ALA H . . 5.500 5.508 5.261 5.814 0.314 16 0 "[ . 1 . 2]" 1
712 1 73 PHE QE 1 83 HIS HA . . 4.210 3.902 3.569 4.125 . 0 0 "[ . 1 . 2]" 1
713 1 73 PHE QE 1 84 ALA H . . 4.310 4.685 4.139 4.876 0.566 15 6 "[ -*** 1 *+ 2]" 1
714 1 73 PHE QE 1 133 VAL QG . . 5.500 5.402 5.278 5.547 0.047 7 0 "[ . 1 . 2]" 1
715 1 73 PHE QE 1 137 VAL HB . . 5.500 4.291 3.873 5.120 . 0 0 "[ . 1 . 2]" 1
716 1 73 PHE QE 1 137 VAL QG . . 3.000 2.317 2.196 2.481 . 0 0 "[ . 1 . 2]" 1
717 1 73 PHE QE 1 141 LEU QD . . 5.440 5.571 5.280 5.820 0.380 11 0 "[ . 1 . 2]" 1
718 1 73 PHE HZ 1 84 ALA H . . 5.500 6.714 6.139 6.950 1.450 5 20 [****+*-*************] 1
719 1 73 PHE HZ 1 137 VAL QG . . 5.440 3.704 3.592 3.844 . 0 0 "[ . 1 . 2]" 1
720 1 73 PHE HZ 1 141 LEU QD . . 5.440 5.231 4.791 5.550 0.110 11 0 "[ . 1 . 2]" 1
721 1 74 LEU H 1 74 LEU HG . . 4.770 4.675 4.587 4.724 . 0 0 "[ . 1 . 2]" 1
722 1 74 LEU H 1 81 LEU QD . . 3.580 3.457 3.192 3.665 0.085 1 0 "[ . 1 . 2]" 1
723 1 74 LEU H 1 136 TRP HA . . 4.940 4.947 4.815 5.056 0.116 20 0 "[ . 1 . 2]" 1
724 1 74 LEU H 1 136 TRP HH2 . . 5.500 5.466 5.238 5.811 0.311 14 0 "[ . 1 . 2]" 1
725 1 74 LEU H 1 137 VAL QG . . 4.610 3.999 3.099 4.585 . 0 0 "[ . 1 . 2]" 1
726 1 74 LEU HA 1 74 LEU MD1 . . 3.480 3.361 2.716 3.508 0.028 8 0 "[ . 1 . 2]" 1
727 1 74 LEU HA 1 74 LEU HG . . 3.340 2.634 2.582 2.732 . 0 0 "[ . 1 . 2]" 1
728 1 74 LEU HA 1 75 ASP QB . . 5.180 4.032 3.897 4.227 . 0 0 "[ . 1 . 2]" 1
729 1 74 LEU HA 1 80 ARG H . . 5.500 4.730 4.577 4.923 . 0 0 "[ . 1 . 2]" 1
730 1 74 LEU HA 1 80 ARG HA . . 3.400 2.511 2.327 2.774 . 0 0 "[ . 1 . 2]" 1
731 1 74 LEU HA 1 80 ARG QG . . 4.070 3.835 3.587 4.032 . 0 0 "[ . 1 . 2]" 1
732 1 74 LEU HA 1 81 LEU H . . 3.390 2.693 2.470 2.895 . 0 0 "[ . 1 . 2]" 1
733 1 74 LEU HA 1 81 LEU QB . . 3.740 4.148 3.795 4.425 0.685 8 7 "[ . *+ * **. -*2]" 1
734 1 74 LEU HA 1 81 LEU QD . . 2.910 2.236 2.110 2.419 . 0 0 "[ . 1 . 2]" 1
735 1 74 LEU HA 1 81 LEU HG . . 5.500 4.449 3.281 5.077 . 0 0 "[ . 1 . 2]" 1
736 1 74 LEU HA 1 82 ALA H . . 4.710 4.712 4.556 4.864 0.154 20 0 "[ . 1 . 2]" 1
737 1 74 LEU HA 1 136 TRP HZ2 . . 5.500 6.158 5.649 6.454 0.954 19 16 "[* **. ****-***** *+*]" 1
738 1 74 LEU QB 1 79 GLU QG . . 5.500 5.838 5.534 6.277 0.777 14 3 "[ - 1 +. * 2]" 1
739 1 74 LEU QB 1 81 LEU H . . 4.010 3.862 3.647 4.334 0.324 14 0 "[ . 1 . 2]" 1
740 1 74 LEU QB 1 136 TRP H . . 4.080 3.329 2.683 3.561 . 0 0 "[ . 1 . 2]" 1
741 1 74 LEU QB 1 136 TRP HB3 . . 4.980 5.219 4.603 5.473 0.493 11 0 "[ . 1 . 2]" 1
742 1 74 LEU QB 1 136 TRP HH2 . . 3.100 2.939 2.783 3.268 0.168 14 0 "[ . 1 . 2]" 1
743 1 74 LEU QB 1 136 TRP HZ3 . . 4.340 3.037 2.871 3.291 . 0 0 "[ . 1 . 2]" 1
744 1 74 LEU MD1 1 78 GLN HA . . 3.820 2.362 2.202 2.538 . 0 0 "[ . 1 . 2]" 1
745 1 74 LEU MD1 1 79 GLU H . . 4.270 3.605 3.099 3.936 . 0 0 "[ . 1 . 2]" 1
746 1 74 LEU MD1 1 79 GLU HA . . 3.840 3.761 3.599 3.925 0.085 19 0 "[ . 1 . 2]" 1
747 1 74 LEU MD1 1 80 ARG H . . 3.390 3.001 2.764 3.307 . 0 0 "[ . 1 . 2]" 1
748 1 74 LEU MD1 1 80 ARG HA . . 2.640 2.702 2.374 3.039 0.399 8 0 "[ . 1 . 2]" 1
749 1 74 LEU MD1 1 110 HIS H . . 4.420 4.355 3.622 4.785 0.365 11 0 "[ . 1 . 2]" 1
750 1 74 LEU MD2 1 77 ARG H . . 5.200 4.979 4.675 5.154 . 0 0 "[ . 1 . 2]" 1
751 1 74 LEU MD2 1 78 GLN H . . 3.590 3.254 2.977 3.402 . 0 0 "[ . 1 . 2]" 1
752 1 74 LEU MD2 1 78 GLN HA . . 3.610 2.222 2.091 2.351 . 0 0 "[ . 1 . 2]" 1
753 1 74 LEU MD2 1 79 GLU H . . 4.850 3.888 3.459 4.213 . 0 0 "[ . 1 . 2]" 1
754 1 74 LEU MD2 1 135 GLY HA3 . . 4.320 2.192 2.043 2.338 . 0 0 "[ . 1 . 2]" 1
755 1 74 LEU MD2 1 136 TRP H . . 3.570 3.242 3.004 3.514 . 0 0 "[ . 1 . 2]" 1
756 1 74 LEU MD2 1 136 TRP HB3 . . 5.500 4.814 4.595 5.034 . 0 0 "[ . 1 . 2]" 1
757 1 74 LEU MD2 1 136 TRP HZ2 . . 3.420 3.139 2.737 3.454 0.034 7 0 "[ . 1 . 2]" 1
758 1 74 LEU HG 1 75 ASP QB . . 4.470 4.278 4.017 4.625 0.155 9 0 "[ . 1 . 2]" 1
759 1 74 LEU HG 1 78 GLN HA . . 3.660 2.974 2.599 3.288 . 0 0 "[ . 1 . 2]" 1
760 1 74 LEU HG 1 80 ARG QG . . 5.500 4.171 3.988 4.545 . 0 0 "[ . 1 . 2]" 1
761 1 74 LEU HG 1 81 LEU H . . 5.500 4.888 4.562 5.136 . 0 0 "[ . 1 . 2]" 1
762 1 74 LEU HG 1 136 TRP H . . 4.810 5.093 4.684 5.290 0.480 11 0 "[ . 1 . 2]" 1
763 1 75 ASP H 1 79 GLU QG . . 4.820 4.527 4.191 5.025 0.205 20 0 "[ . 1 . 2]" 1
764 1 75 ASP H 1 81 LEU MD1 . . 4.590 2.910 2.364 4.752 0.162 1 0 "[ . 1 . 2]" 1
765 1 75 ASP H 1 81 LEU QD . . 3.850 2.631 2.359 2.961 . 0 0 "[ . 1 . 2]" 1
766 1 75 ASP H 1 81 LEU MD2 . . 4.590 4.511 2.581 5.192 0.602 11 1 "[ . 1+ . 2]" 1
767 1 75 ASP H 1 81 LEU HG . . 5.120 4.662 3.612 5.488 0.368 19 0 "[ . 1 . 2]" 1
768 1 75 ASP H 1 135 GLY HA2 . . 5.500 5.943 5.690 6.174 0.674 10 8 "[- **** + .* * 2]" 1
769 1 75 ASP H 1 135 GLY HA3 . . 4.350 4.345 4.120 4.512 0.162 10 0 "[ . 1 . 2]" 1
770 1 75 ASP HA 1 81 LEU QD . . 5.440 3.678 3.346 3.901 . 0 0 "[ . 1 . 2]" 1
771 1 75 ASP HA 1 81 LEU HG . . 5.500 6.371 5.802 6.922 1.422 11 18 "[* ********+ **-*****]" 1
772 1 75 ASP HA 1 133 VAL HA . . 4.860 3.753 3.547 4.042 . 0 0 "[ . 1 . 2]" 1
773 1 75 ASP HA 1 133 VAL QG . . 4.550 3.029 2.796 3.289 . 0 0 "[ . 1 . 2]" 1
774 1 75 ASP QB 1 76 ALA MB . . 4.720 4.010 3.554 4.384 . 0 0 "[ . 1 . 2]" 1
775 1 75 ASP QB 1 77 ARG H . . 3.980 2.856 2.421 3.158 . 0 0 "[ . 1 . 2]" 1
776 1 75 ASP QB 1 81 LEU QD . . 3.820 2.160 2.034 2.367 . 0 0 "[ . 1 . 2]" 1
777 1 75 ASP QB 1 134 LEU H . . 5.010 4.040 3.105 4.632 . 0 0 "[ . 1 . 2]" 1
778 1 76 ALA H 1 76 ALA MB . . 2.950 2.165 2.123 2.209 . 0 0 "[ . 1 . 2]" 1
779 1 76 ALA H 1 77 ARG HA . . 5.270 5.461 5.348 5.577 0.307 19 0 "[ . 1 . 2]" 1
780 1 76 ALA H 1 79 GLU H . . 5.500 5.458 5.299 5.644 0.144 9 0 "[ . 1 . 2]" 1
781 1 76 ALA H 1 133 VAL HA . . 5.500 4.349 4.011 4.603 . 0 0 "[ . 1 . 2]" 1
782 1 76 ALA H 1 133 VAL QG . . 4.840 4.361 4.114 4.687 . 0 0 "[ . 1 . 2]" 1
783 1 76 ALA H 1 134 LEU QB . . 3.260 3.110 2.788 3.431 0.171 20 0 "[ . 1 . 2]" 1
784 1 76 ALA H 1 134 LEU QD . . 3.860 3.339 2.510 3.828 . 0 0 "[ . 1 . 2]" 1
785 1 76 ALA HA 1 134 LEU QD . . 3.800 3.483 2.648 4.884 1.084 6 4 "[ * .+ -1 . *]" 1
786 1 76 ALA HA 1 135 GLY H . . 4.430 4.353 3.963 4.828 0.398 11 0 "[ . 1 . 2]" 1
787 1 76 ALA MB 1 77 ARG H . . 3.690 2.783 2.568 3.085 . 0 0 "[ . 1 . 2]" 1
788 1 76 ALA MB 1 77 ARG HA . . 4.120 3.997 3.878 4.150 0.030 6 0 "[ . 1 . 2]" 1
789 1 76 ALA MB 1 133 VAL HB . . 5.500 5.401 5.164 5.705 0.205 9 0 "[ . 1 . 2]" 1
790 1 76 ALA MB 1 134 LEU H . . 3.450 3.594 3.303 3.955 0.505 9 1 "[ . +1 . 2]" 1
791 1 76 ALA MB 1 134 LEU QB . . 2.960 2.121 2.047 2.221 . 0 0 "[ . 1 . 2]" 1
792 1 76 ALA MB 1 134 LEU QD . . 2.400 2.180 2.039 2.624 0.224 6 0 "[ . 1 . 2]" 1
793 1 76 ALA MB 1 135 GLY H . . 3.940 4.059 3.718 4.410 0.470 11 0 "[ . 1 . 2]" 1
794 1 76 ALA MB 1 135 GLY HA2 . . 4.360 4.243 3.231 4.767 0.407 18 0 "[ . 1 . 2]" 1
795 1 77 ARG H 1 77 ARG QB . . 3.310 2.200 2.064 2.486 . 0 0 "[ . 1 . 2]" 1
796 1 77 ARG H 1 77 ARG QD . . 5.320 4.110 3.698 4.647 . 0 0 "[ . 1 . 2]" 1
797 1 77 ARG H 1 78 GLN HA . . 4.860 4.916 4.694 5.098 0.238 10 0 "[ . 1 . 2]" 1
798 1 77 ARG H 1 79 GLU H . . 4.160 3.762 3.502 4.045 . 0 0 "[ . 1 . 2]" 1
799 1 77 ARG H 1 135 GLY H . . 5.100 5.757 5.425 6.106 1.006 20 16 "[ ***-****** *****+]" 1
800 1 77 ARG HA 1 77 ARG QG . . 2.980 2.527 2.221 2.943 . 0 0 "[ . 1 . 2]" 1
801 1 77 ARG QB 1 77 ARG QD . . 3.060 2.253 2.094 2.393 . 0 0 "[ . 1 . 2]" 1
802 1 77 ARG QB 1 78 GLN H . . 3.730 3.375 3.143 3.593 . 0 0 "[ . 1 . 2]" 1
803 1 77 ARG QD 1 77 ARG QG . . 2.450 2.079 2.004 2.130 . 0 0 "[ . 1 . 2]" 1
804 1 77 ARG QG 1 79 GLU H . . 4.710 4.406 3.634 4.989 0.279 11 0 "[ . 1 . 2]" 1
805 1 78 GLN H 1 78 GLN QB . . 3.840 3.449 3.342 3.518 . 0 0 "[ . 1 . 2]" 1
806 1 78 GLN H 1 79 GLU HA . . 5.500 5.250 5.150 5.300 . 0 0 "[ . 1 . 2]" 1
807 1 78 GLN H 1 135 GLY H . . 5.500 6.263 6.019 6.455 0.955 6 20 [*****+******-*******] 1
808 1 78 GLN HA 1 78 GLN QG . . 3.850 2.500 2.338 2.840 . 0 0 "[ . 1 . 2]" 1
809 1 78 GLN HA 1 79 GLU HA . . 4.870 4.585 4.501 4.688 . 0 0 "[ . 1 . 2]" 1
810 1 78 GLN HA 1 79 GLU QB . . 5.020 4.753 4.604 4.838 . 0 0 "[ . 1 . 2]" 1
811 1 78 GLN HA 1 110 HIS QB . . 5.500 4.420 3.510 4.839 . 0 0 "[ . 1 . 2]" 1
812 1 78 GLN QB 1 78 GLN QE . . 3.950 3.137 2.451 3.769 . 0 0 "[ . 1 . 2]" 1
813 1 78 GLN QB 1 80 ARG H . . 5.500 5.466 5.228 5.782 0.282 11 0 "[ . 1 . 2]" 1
814 1 78 GLN QB 1 110 HIS QB . . 5.500 3.614 2.610 4.170 . 0 0 "[ . 1 . 2]" 1
815 1 79 GLU H 1 79 GLU QB . . 3.910 2.315 2.235 2.399 . 0 0 "[ . 1 . 2]" 1
816 1 79 GLU H 1 79 GLU QG . . 3.940 3.979 3.896 4.024 0.084 6 0 "[ . 1 . 2]" 1
817 1 79 GLU H 1 80 ARG H . . 4.530 4.342 4.227 4.496 . 0 0 "[ . 1 . 2]" 1
818 1 79 GLU H 1 109 THR MG . . 5.240 4.833 4.169 5.463 0.223 20 0 "[ . 1 . 2]" 1
819 1 79 GLU HA 1 79 GLU QG . . 2.970 2.465 2.331 2.628 . 0 0 "[ . 1 . 2]" 1
820 1 79 GLU HA 1 80 ARG H . . 2.580 2.174 2.111 2.244 . 0 0 "[ . 1 . 2]" 1
821 1 79 GLU HA 1 80 ARG HA . . 4.830 4.511 4.460 4.554 . 0 0 "[ . 1 . 2]" 1
822 1 79 GLU HA 1 80 ARG QB . . 4.200 4.135 3.964 4.335 0.135 18 0 "[ . 1 . 2]" 1
823 1 79 GLU HA 1 80 ARG QD . . 5.500 5.682 5.175 6.175 0.675 5 2 "[ + 1 - . 2]" 1
824 1 79 GLU HA 1 109 THR MG . . 2.990 2.520 2.139 3.059 0.069 20 0 "[ . 1 . 2]" 1
825 1 79 GLU HA 1 110 HIS H . . 4.090 2.804 2.259 3.172 . 0 0 "[ . 1 . 2]" 1
826 1 79 GLU HA 1 110 HIS HA . . 5.500 5.166 4.668 5.445 . 0 0 "[ . 1 . 2]" 1
827 1 79 GLU HA 1 111 PHE H . . 4.750 4.787 3.968 5.430 0.680 5 1 "[ + 1 . 2]" 1
828 1 79 GLU QB 1 79 GLU QG . . 2.400 2.119 2.106 2.126 . 0 0 "[ . 1 . 2]" 1
829 1 79 GLU QB 1 109 THR MG . . 3.420 3.126 2.695 3.648 0.228 20 0 "[ . 1 . 2]" 1
830 1 79 GLU QB 1 110 HIS H . . 4.510 4.619 4.211 4.940 0.430 3 0 "[ . 1 . 2]" 1
831 1 79 GLU QG 1 80 ARG H . . 3.640 3.126 2.917 3.318 . 0 0 "[ . 1 . 2]" 1
832 1 79 GLU QG 1 110 HIS H . . 4.270 3.739 3.294 4.308 0.038 5 0 "[ . 1 . 2]" 1
833 1 79 GLU QG 1 110 HIS HA . . 5.500 6.008 5.730 6.349 0.849 3 11 "[ *+** * 1 -* *** *2]" 1
834 1 80 ARG H 1 80 ARG QG . . 3.780 3.503 2.948 3.969 0.189 17 0 "[ . 1 . 2]" 1
835 1 80 ARG H 1 81 LEU QD . . 5.440 4.781 4.141 5.264 . 0 0 "[ . 1 . 2]" 1
836 1 80 ARG H 1 109 THR MG . . 3.850 3.395 3.023 3.751 . 0 0 "[ . 1 . 2]" 1
837 1 80 ARG H 1 110 HIS HA . . 3.780 3.797 3.279 4.234 0.454 17 0 "[ . 1 . 2]" 1
838 1 80 ARG H 1 110 HIS QB . . 3.800 2.444 1.850 3.797 . 0 0 "[ . 1 . 2]" 1
839 1 80 ARG H 1 111 PHE H . . 4.730 4.909 4.482 5.296 0.566 5 2 "[ + 1 . - 2]" 1
840 1 80 ARG HA 1 80 ARG QG . . 2.860 2.198 2.139 2.328 . 0 0 "[ . 1 . 2]" 1
841 1 80 ARG HA 1 82 ALA H . . 4.350 3.803 3.600 4.026 . 0 0 "[ . 1 . 2]" 1
842 1 80 ARG HA 1 109 THR HA . . 5.480 5.437 4.946 5.820 0.340 18 0 "[ . 1 . 2]" 1
843 1 80 ARG HA 1 109 THR MG . . 5.500 5.747 5.374 6.028 0.528 20 2 "[ . 1 -. +]" 1
844 1 80 ARG HA 1 110 HIS H . . 4.860 5.090 4.831 5.449 0.589 3 4 "[ + .- 1 **. 2]" 1
845 1 80 ARG QB 1 80 ARG QD . . 3.120 2.281 2.067 2.402 . 0 0 "[ . 1 . 2]" 1
846 1 80 ARG QB 1 80 ARG QH2 . . 4.590 4.261 3.763 5.319 0.729 16 1 "[ . 1 .+ 2]" 1
847 1 80 ARG QB 1 82 ALA H . . 4.540 3.882 3.340 4.470 . 0 0 "[ . 1 . 2]" 1
848 1 80 ARG QB 1 110 HIS H . . 4.240 3.087 2.834 3.864 . 0 0 "[ . 1 . 2]" 1
849 1 80 ARG QD 1 109 THR MG . . 5.500 5.747 5.116 6.183 0.683 17 5 "[ ** 1 - *. + 2]" 1
850 1 80 ARG QD 1 110 HIS HD2 . . 3.620 2.792 2.139 3.467 . 0 0 "[ . 1 . 2]" 1
851 1 80 ARG QG 1 82 ALA MB . . 5.500 5.409 5.042 5.934 0.434 18 0 "[ . 1 . 2]" 1
852 1 80 ARG QG 1 83 HIS HD2 . . 4.330 2.688 2.276 3.863 . 0 0 "[ . 1 . 2]" 1
853 1 80 ARG QG 1 110 HIS H . . 5.200 4.979 4.408 5.402 0.202 5 0 "[ . 1 . 2]" 1
854 1 80 ARG QG 1 117 GLY H . . 4.540 4.867 4.028 5.761 1.221 13 7 "[ **. 1* +** -]" 1
855 1 80 ARG QH2 1 90 THR HB . . 4.670 5.061 3.411 6.326 1.656 18 6 "[-** * 1 .* + 2]" 1
856 1 81 LEU H 1 81 LEU MD1 . . 4.670 2.449 1.889 3.753 . 0 0 "[ . 1 . 2]" 1
857 1 81 LEU H 1 81 LEU QD . . 3.170 2.247 1.821 2.862 . 0 0 "[ . 1 . 2]" 1
858 1 81 LEU H 1 81 LEU MD2 . . 4.670 3.895 1.837 4.349 . 0 0 "[ . 1 . 2]" 1
859 1 81 LEU HA 1 81 LEU HG . . 3.720 2.649 2.340 3.762 0.042 19 0 "[ . 1 . 2]" 1
860 1 81 LEU HA 1 106 LEU HA . . 5.500 4.632 3.561 5.571 0.071 17 0 "[ . 1 . 2]" 1
861 1 81 LEU HA 1 106 LEU QD . . 3.570 3.106 2.092 3.884 0.314 17 0 "[ . 1 . 2]" 1
862 1 81 LEU QB 1 106 LEU QD . . 3.730 3.143 2.240 3.922 0.192 6 0 "[ . 1 . 2]" 1
863 1 81 LEU QB 1 133 VAL QG . . 4.480 3.866 3.499 4.163 . 0 0 "[ . 1 . 2]" 1
864 1 81 LEU QD 1 82 ALA H . . 3.720 3.760 3.545 3.954 0.234 2 0 "[ . 1 . 2]" 1
865 1 81 LEU MD1 1 82 ALA H . . 4.800 4.018 3.645 4.837 0.037 1 0 "[ . 1 . 2]" 1
866 1 81 LEU MD2 1 82 ALA H . . 4.800 4.823 3.706 5.132 0.332 11 0 "[ . 1 . 2]" 1
867 1 81 LEU HG 1 82 ALA H . . 5.210 4.857 4.433 5.372 0.162 17 0 "[ . 1 . 2]" 1
868 1 81 LEU HG 1 106 LEU QD . . 5.500 4.128 2.750 5.469 . 0 0 "[ . 1 . 2]" 1
869 1 82 ALA H 1 82 ALA MB . . 3.560 2.735 2.634 2.878 . 0 0 "[ . 1 . 2]" 1
870 1 82 ALA H 1 83 HIS H . . 4.680 4.367 4.331 4.398 . 0 0 "[ . 1 . 2]" 1
871 1 82 ALA H 1 83 HIS HD2 . . 4.250 3.948 3.549 5.236 0.986 3 1 "[ + . 1 . 2]" 1
872 1 82 ALA HA 1 83 HIS H . . 2.730 2.378 2.337 2.412 . 0 0 "[ . 1 . 2]" 1
873 1 82 ALA HA 1 83 HIS HA . . 4.770 4.633 4.610 4.660 . 0 0 "[ . 1 . 2]" 1
874 1 82 ALA MB 1 83 HIS H . . 3.490 2.317 2.260 2.412 . 0 0 "[ . 1 . 2]" 1
875 1 82 ALA MB 1 84 ALA MB . . 5.500 4.251 4.004 4.437 . 0 0 "[ . 1 . 2]" 1
876 1 83 HIS H 1 83 HIS HB2 . . 4.050 3.963 3.939 3.994 . 0 0 "[ . 1 . 2]" 1
877 1 83 HIS H 1 83 HIS HB3 . . 4.150 3.698 3.656 3.733 . 0 0 "[ . 1 . 2]" 1
878 1 83 HIS H 1 83 HIS HD2 . . 3.980 4.146 3.570 4.974 0.994 3 2 "[ + . 1 . -]" 1
879 1 83 HIS H 1 84 ALA HA . . 4.800 4.880 4.643 4.958 0.158 18 0 "[ . 1 . 2]" 1
880 1 83 HIS HA 1 84 ALA H . . 2.950 2.228 2.202 2.275 . 0 0 "[ . 1 . 2]" 1
881 1 83 HIS HA 1 84 ALA HA . . 4.580 4.525 4.500 4.554 . 0 0 "[ . 1 . 2]" 1
882 1 83 HIS HA 1 89 LEU QB . . 5.170 4.645 4.476 4.948 . 0 0 "[ . 1 . 2]" 1
883 1 83 HIS HA 1 136 TRP HZ3 . . 5.450 5.777 5.556 5.923 0.473 15 0 "[ . 1 . 2]" 1
884 1 83 HIS HB2 1 84 ALA H . . 3.970 3.137 2.848 3.494 . 0 0 "[ . 1 . 2]" 1
885 1 83 HIS HB2 1 89 LEU H . . 4.500 4.263 4.066 4.535 0.035 18 0 "[ . 1 . 2]" 1
886 1 83 HIS HB2 1 117 GLY H . . 5.500 5.791 5.086 6.203 0.703 18 5 "[ * * 1 .* +-2]" 1
887 1 83 HIS HB3 1 89 LEU H . . 5.500 5.990 5.746 6.268 0.768 18 8 "[ **** - * . +*2]" 1
888 1 83 HIS HB3 1 117 GLY H . . 5.500 5.383 4.989 5.832 0.332 3 0 "[ . 1 . 2]" 1
889 1 83 HIS HB3 1 136 TRP HZ3 . . 4.840 5.011 4.577 5.229 0.389 15 0 "[ . 1 . 2]" 1
890 1 84 ALA H 1 85 GLY H . . 4.670 4.361 4.337 4.392 . 0 0 "[ . 1 . 2]" 1
891 1 84 ALA H 1 85 GLY QA . . 5.500 4.622 4.568 4.703 . 0 0 "[ . 1 . 2]" 1
892 1 84 ALA H 1 89 LEU H . . 4.650 4.609 4.418 4.862 0.212 6 0 "[ . 1 . 2]" 1
893 1 84 ALA H 1 89 LEU QB . . 4.460 3.679 3.473 3.969 . 0 0 "[ . 1 . 2]" 1
894 1 84 ALA H 1 89 LEU QD . . 4.680 4.425 4.119 4.674 . 0 0 "[ . 1 . 2]" 1
895 1 84 ALA H 1 138 GLU QB . . 5.500 5.919 5.668 6.230 0.730 8 5 "[ *. + 1** . -]" 1
896 1 84 ALA HA 1 85 GLY H . . 2.660 2.332 2.236 2.440 . 0 0 "[ . 1 . 2]" 1
897 1 84 ALA HA 1 85 GLY QA . . 4.240 4.031 4.005 4.082 . 0 0 "[ . 1 . 2]" 1
898 1 84 ALA HA 1 89 LEU H . . 3.540 3.844 3.553 4.042 0.502 18 1 "[ . 1 . + 2]" 1
899 1 84 ALA HA 1 89 LEU QB . . 3.630 2.062 2.013 2.127 . 0 0 "[ . 1 . 2]" 1
900 1 84 ALA MB 1 85 GLY H . . 3.810 2.570 2.392 2.705 . 0 0 "[ . 1 . 2]" 1
901 1 84 ALA MB 1 85 GLY QA . . 3.870 3.779 3.700 3.837 . 0 0 "[ . 1 . 2]" 1
902 1 84 ALA MB 1 89 LEU QB . . 3.710 3.465 3.361 3.628 . 0 0 "[ . 1 . 2]" 1
903 1 85 GLY H 1 89 LEU QD . . 4.190 3.283 3.032 3.672 . 0 0 "[ . 1 . 2]" 1
904 1 85 GLY QA 1 89 LEU H . . 4.700 4.374 4.197 4.686 . 0 0 "[ . 1 . 2]" 1
905 1 85 GLY QA 1 89 LEU QB . . 4.460 4.248 4.065 4.387 . 0 0 "[ . 1 . 2]" 1
906 1 86 PRO HA 1 89 LEU H . . 5.150 4.337 3.933 4.608 . 0 0 "[ . 1 . 2]" 1
907 1 86 PRO QG 1 87 SER H . . 3.700 2.386 2.259 2.529 . 0 0 "[ . 1 . 2]" 1
908 1 87 SER H 1 87 SER QB . . 3.570 2.616 2.377 2.888 . 0 0 "[ . 1 . 2]" 1
909 1 87 SER H 1 87 SER HG . . 3.770 2.917 2.304 3.514 . 0 0 "[ . 1 . 2]" 1
910 1 87 SER HA 1 88 MET QG . . 5.500 5.030 4.656 5.713 0.213 1 0 "[ . 1 . 2]" 1
911 1 87 SER QB 1 88 MET ME . . 4.610 2.734 1.978 4.376 . 0 0 "[ . 1 . 2]" 1
912 1 88 MET QB 1 90 THR H . . 5.500 5.483 5.012 5.887 0.387 12 0 "[ . 1 . 2]" 1
913 1 89 LEU H 1 91 VAL H . . 5.500 5.647 5.549 5.789 0.289 18 0 "[ . 1 . 2]" 1
914 1 89 LEU QD 1 90 THR H . . 3.910 3.014 2.532 3.670 . 0 0 "[ . 1 . 2]" 1
915 1 89 LEU QD 1 91 VAL H . . 4.730 2.565 2.013 3.152 . 0 0 "[ . 1 . 2]" 1
916 1 89 LEU QD 1 92 ALA H . . 4.530 3.616 2.203 3.883 . 0 0 "[ . 1 . 2]" 1
917 1 89 LEU HG 1 91 VAL H . . 3.700 2.995 2.408 4.458 0.758 16 1 "[ . 1 .+ 2]" 1
918 1 90 THR H 1 90 THR MG . . 4.080 3.704 3.619 3.744 . 0 0 "[ . 1 . 2]" 1
919 1 90 THR H 1 91 VAL H . . 4.360 2.818 2.690 2.911 . 0 0 "[ . 1 . 2]" 1
920 1 90 THR H 1 92 ALA H . . 4.560 4.681 4.386 4.919 0.359 11 0 "[ . 1 . 2]" 1
921 1 90 THR HA 1 91 VAL HA . . 4.860 4.718 4.669 4.896 0.036 20 0 "[ . 1 . 2]" 1
922 1 90 THR HA 1 92 ALA H . . 3.910 3.807 3.522 4.015 0.105 19 0 "[ . 1 . 2]" 1
923 1 90 THR HB 1 91 VAL H . . 3.540 2.773 2.641 3.027 . 0 0 "[ . 1 . 2]" 1
924 1 90 THR MG 1 91 VAL H . . 4.230 3.848 3.772 4.024 . 0 0 "[ . 1 . 2]" 1
925 1 91 VAL QG 1 92 ALA HA . . 4.200 4.206 3.768 4.617 0.417 19 0 "[ . 1 . 2]" 1
926 1 92 ALA HA 1 93 PRO QG . . 4.210 4.024 3.933 4.380 0.170 20 0 "[ . 1 . 2]" 1
927 1 92 ALA HA 1 94 ALA H . . 4.070 3.669 3.126 4.678 0.608 12 2 "[ . 1 + . -2]" 1
928 1 92 ALA MB 1 93 PRO QB . . 5.500 5.127 4.581 5.287 . 0 0 "[ . 1 . 2]" 1
929 1 92 ALA MB 1 93 PRO QD . . 3.500 3.308 2.005 3.578 0.078 11 0 "[ . 1 . 2]" 1
930 1 94 ALA H 1 94 ALA MB . . 3.040 2.668 2.207 2.985 . 0 0 "[ . 1 . 2]" 1
931 1 94 ALA HA 1 95 GLY H . . 3.470 2.848 2.121 3.553 0.083 7 0 "[ . 1 . 2]" 1
932 1 94 ALA HA 1 100 LEU QD . . 5.500 3.949 2.131 6.099 0.599 10 3 "[ . + - . *2]" 1
933 1 94 ALA MB 1 95 GLY H . . 3.210 2.511 1.940 3.619 0.409 9 0 "[ . 1 . 2]" 1
934 1 94 ALA MB 1 95 GLY QA . . 5.340 3.705 3.432 4.217 . 0 0 "[ . 1 . 2]" 1
935 1 95 GLY H 1 96 ASP H . . 4.850 2.822 2.315 3.481 . 0 0 "[ . 1 . 2]" 1
936 1 95 GLY QA 1 96 ASP H . . 3.070 2.852 2.559 3.005 . 0 0 "[ . 1 . 2]" 1
937 1 96 ASP HA 1 97 ALA MB . . 4.370 4.005 3.860 4.138 . 0 0 "[ . 1 . 2]" 1
938 1 96 ASP QB 1 98 SER H . . 3.890 4.161 3.169 5.296 1.406 12 7 "[- . * ** + . **2]" 1
939 1 97 ALA H 1 97 ALA MB . . 3.280 2.267 2.167 2.579 . 0 0 "[ . 1 . 2]" 1
940 1 97 ALA H 1 100 LEU H . . 5.050 4.744 4.206 5.354 0.304 11 0 "[ . 1 . 2]" 1
941 1 97 ALA HA 1 100 LEU H . . 5.500 5.476 4.807 6.245 0.745 11 1 "[ . 1+ . 2]" 1
942 1 97 ALA MB 1 98 SER H . . 3.730 2.183 1.921 2.941 . 0 0 "[ . 1 . 2]" 1
943 1 97 ALA MB 1 100 LEU QB . . 5.500 5.775 4.835 6.570 1.070 11 6 "[ .- 1+ *** * 2]" 1
944 1 99 HIS QB 1 100 LEU H . . 4.180 3.124 2.912 3.379 . 0 0 "[ . 1 . 2]" 1
945 1 100 LEU H 1 100 LEU QB . . 3.490 2.266 1.966 2.730 . 0 0 "[ . 1 . 2]" 1
946 1 100 LEU H 1 100 LEU QD . . 3.480 2.896 1.882 3.699 0.219 7 0 "[ . 1 . 2]" 1
947 1 100 LEU QB 1 100 LEU QD . . 2.700 2.009 1.912 2.127 . 0 0 "[ . 1 . 2]" 1
948 1 101 SER H 1 101 SER QB . . 3.610 2.621 2.203 3.488 . 0 0 "[ . 1 . 2]" 1
949 1 101 SER H 1 102 MET QB . . 5.500 5.125 4.146 5.819 0.319 16 0 "[ . 1 . 2]" 1
950 1 101 SER HA 1 101 SER QB . . 2.710 2.362 2.163 2.480 . 0 0 "[ . 1 . 2]" 1
951 1 101 SER HA 1 102 MET HA . . 4.520 4.613 4.391 4.917 0.397 5 0 "[ . 1 . 2]" 1
952 1 101 SER QB 1 102 MET H . . 4.580 3.787 2.159 4.123 . 0 0 "[ . 1 . 2]" 1
953 1 103 SER H 1 104 THR H . . 5.340 4.126 3.120 4.613 . 0 0 "[ . 1 . 2]" 1
954 1 103 SER HA 1 103 SER QB . . 2.560 2.316 2.149 2.472 . 0 0 "[ . 1 . 2]" 1
955 1 103 SER QB 1 105 GLU QB . . 5.500 4.459 3.020 5.741 0.241 6 0 "[ . 1 . 2]" 1
956 1 104 THR H 1 105 GLU QB . . 4.720 4.178 3.334 5.024 0.304 14 0 "[ . 1 . 2]" 1
957 1 104 THR HA 1 104 THR MG . . 3.100 2.495 2.215 3.300 0.200 10 0 "[ . 1 . 2]" 1
958 1 104 THR MG 1 105 GLU QB . . 5.500 4.938 3.761 5.575 0.075 17 0 "[ . 1 . 2]" 1
959 1 105 GLU QB 1 107 ASP QB . . 3.940 3.361 2.611 4.199 0.259 15 0 "[ . 1 . 2]" 1
960 1 105 GLU QB 1 108 THR H . . 4.590 4.149 2.702 5.155 0.565 16 1 "[ . 1 .+ 2]" 1
961 1 105 GLU QG 1 108 THR H . . 5.500 4.805 3.147 6.192 0.692 10 2 "[ . + . -2]" 1
962 1 106 LEU HA 1 106 LEU QD . . 2.730 2.209 2.045 2.895 0.165 6 0 "[ . 1 . 2]" 1
963 1 107 ASP H 1 108 THR H . . 3.510 2.682 2.309 2.863 . 0 0 "[ . 1 . 2]" 1
964 1 107 ASP H 1 109 THR H . . 5.500 5.783 5.012 7.070 1.570 6 5 "[ *+ 1* -*. 2]" 1
965 1 108 THR H 1 108 THR MG . . 3.870 2.853 2.029 3.842 . 0 0 "[ . 1 . 2]" 1
966 1 108 THR H 1 109 THR H . . 4.530 3.725 3.168 4.572 0.042 14 0 "[ . 1 . 2]" 1
967 1 108 THR HA 1 108 THR MG . . 3.560 2.542 2.210 3.285 . 0 0 "[ . 1 . 2]" 1
968 1 109 THR H 1 109 THR MG . . 3.890 3.744 3.606 4.027 0.137 5 0 "[ . 1 . 2]" 1
969 1 109 THR HA 1 109 THR MG . . 3.110 2.348 2.192 2.467 . 0 0 "[ . 1 . 2]" 1
970 1 109 THR HB 1 110 HIS H . . 4.510 3.418 2.576 4.017 . 0 0 "[ . 1 . 2]" 1
971 1 109 THR MG 1 110 HIS H . . 3.560 2.103 1.747 2.388 . 0 0 "[ . 1 . 2]" 1
972 1 109 THR MG 1 111 PHE H . . 3.450 2.441 1.739 3.415 . 0 0 "[ . 1 . 2]" 1
973 1 109 THR MG 1 111 PHE QB . . 4.440 3.516 2.590 4.234 . 0 0 "[ . 1 . 2]" 1
974 1 110 HIS H 1 110 HIS QB . . 3.590 2.157 2.087 2.270 . 0 0 "[ . 1 . 2]" 1
975 1 110 HIS HD2 1 113 LEU QB . . 4.570 3.390 2.344 4.692 0.122 13 0 "[ . 1 . 2]" 1
976 1 110 HIS HD2 1 113 LEU QD . . 5.440 4.247 2.450 5.725 0.285 19 0 "[ . 1 . 2]" 1
977 1 112 LEU H 1 112 LEU QB . . 3.380 2.625 2.043 3.418 0.038 17 0 "[ . 1 . 2]" 1
978 1 112 LEU H 1 112 LEU QD . . 4.680 3.484 2.444 4.196 . 0 0 "[ . 1 . 2]" 1
979 1 112 LEU HA 1 112 LEU HG . . 3.080 2.484 2.249 3.056 . 0 0 "[ . 1 . 2]" 1
980 1 112 LEU QB 1 112 LEU QD . . 2.550 1.939 1.908 1.979 . 0 0 "[ . 1 . 2]" 1
981 1 112 LEU QB 1 112 LEU HG . . 2.550 2.462 2.318 2.586 0.036 17 0 "[ . 1 . 2]" 1
982 1 112 LEU QB 1 113 LEU H . . 5.500 3.410 2.543 4.074 . 0 0 "[ . 1 . 2]" 1
983 1 113 LEU H 1 113 LEU QB . . 3.360 2.264 2.054 2.555 . 0 0 "[ . 1 . 2]" 1
984 1 113 LEU HA 1 113 LEU QD . . 2.830 2.233 1.981 2.693 . 0 0 "[ . 1 . 2]" 1
985 1 113 LEU QB 1 113 LEU QD . . 2.770 2.004 1.946 2.108 . 0 0 "[ . 1 . 2]" 1
986 1 113 LEU QD 1 115 VAL H . . 4.540 3.751 3.122 4.041 . 0 0 "[ . 1 . 2]" 1
987 1 113 LEU MD1 1 115 VAL H . . 5.500 4.615 3.147 5.540 0.040 3 0 "[ . 1 . 2]" 1
988 1 113 LEU MD2 1 115 VAL H . . 5.500 4.320 3.348 5.461 . 0 0 "[ . 1 . 2]" 1
989 1 114 PRO QB 1 115 VAL H . . 4.040 3.588 3.213 3.876 . 0 0 "[ . 1 . 2]" 1
990 1 115 VAL H 1 115 VAL QG . . 3.200 2.364 1.992 2.641 . 0 0 "[ . 1 . 2]" 1
991 1 115 VAL HB 1 116 LEU H . . 4.180 3.086 2.205 4.040 . 0 0 "[ . 1 . 2]" 1
992 1 116 LEU HA 1 117 GLY H . . 3.220 2.228 2.094 2.617 . 0 0 "[ . 1 . 2]" 1
993 1 116 LEU QB 1 117 GLY H . . 3.720 2.921 2.129 3.560 . 0 0 "[ . 1 . 2]" 1
994 1 116 LEU QD 1 117 GLY H . . 3.790 3.475 1.715 4.395 0.605 10 1 "[ . + . 2]" 1
995 1 116 LEU QD 1 117 GLY QA . . 4.090 3.395 2.553 4.468 0.378 10 0 "[ . 1 . 2]" 1
996 1 116 LEU QD 1 118 ARG H . . 4.510 4.723 3.275 5.452 0.942 9 9 "[ - * * +*** *. *]" 1
997 1 117 GLY H 1 118 ARG QG . . 5.500 5.621 5.007 5.937 0.437 11 0 "[ . 1 . 2]" 1
998 1 117 GLY QA 1 118 ARG QB . . 5.340 4.206 4.019 4.430 . 0 0 "[ . 1 . 2]" 1
999 1 118 ARG H 1 118 ARG QB . . 3.680 2.528 2.305 2.861 . 0 0 "[ . 1 . 2]" 1
1000 1 118 ARG H 1 118 ARG QD . . 4.590 4.334 3.771 4.732 0.142 13 0 "[ . 1 . 2]" 1
1001 1 118 ARG H 1 118 ARG QG . . 4.270 2.706 1.865 3.304 . 0 0 "[ . 1 . 2]" 1
1002 1 118 ARG HA 1 119 HIS HA . . 5.340 5.054 4.857 5.289 . 0 0 "[ . 1 . 2]" 1
1003 1 119 HIS H 1 119 HIS QB . . 3.520 2.892 2.737 3.367 . 0 0 "[ . 1 . 2]" 1
1004 1 119 HIS QB 1 120 HIS H . . 4.130 3.916 3.721 4.093 . 0 0 "[ . 1 . 2]" 1
1005 1 120 HIS H 1 120 HIS QB . . 3.750 2.724 2.077 3.538 . 0 0 "[ . 1 . 2]" 1
1006 1 121 SER QB 1 122 LEU H . . 3.370 2.979 2.256 3.698 0.328 8 0 "[ . 1 . 2]" 1
1007 1 121 SER HB2 1 122 LEU H . . 3.950 3.589 2.381 4.184 0.234 8 0 "[ . 1 . 2]" 1
1008 1 121 SER HB3 1 122 LEU H . . 3.950 3.508 2.274 4.390 0.440 18 0 "[ . 1 . 2]" 1
1009 1 122 LEU H 1 122 LEU QB . . 3.240 2.637 2.071 3.145 . 0 0 "[ . 1 . 2]" 1
1010 1 122 LEU QB 1 123 SER HA . . 4.480 4.296 3.855 4.654 0.174 13 0 "[ . 1 . 2]" 1
1011 1 122 LEU QB 1 124 GLY H . . 4.970 4.651 3.172 5.888 0.918 1 1 "[+ . 1 . 2]" 1
1012 1 122 LEU QD 1 123 SER H . . 4.260 2.964 1.831 4.251 . 0 0 "[ . 1 . 2]" 1
1013 1 122 LEU QD 1 124 GLY H . . 5.020 4.535 3.380 5.632 0.612 1 1 "[+ . 1 . 2]" 1
1014 1 122 LEU HG 1 123 SER H . . 4.560 3.891 2.212 4.932 0.372 14 0 "[ . 1 . 2]" 1
1015 1 123 SER H 1 123 SER QB . . 3.540 2.899 2.255 3.586 0.046 18 0 "[ . 1 . 2]" 1
1016 1 123 SER HA 1 124 GLY HA2 . . 5.500 4.839 4.411 5.416 . 0 0 "[ . 1 . 2]" 1
1017 1 123 SER HA 1 124 GLY HA3 . . 5.500 4.796 4.415 5.144 . 0 0 "[ . 1 . 2]" 1
1018 1 123 SER HA 1 126 THR MG . . 5.500 4.820 3.808 5.742 0.242 3 0 "[ . 1 . 2]" 1
1019 1 124 GLY H 1 125 ALA H . . 4.300 3.851 2.270 4.485 0.185 11 0 "[ . 1 . 2]" 1
1020 1 124 GLY H 1 126 THR MG . . 4.510 4.535 3.666 5.085 0.575 4 3 "[ +. - 1 * . 2]" 1
1021 1 124 GLY QA 1 125 ALA MB . . 4.030 3.801 3.650 3.946 . 0 0 "[ . 1 . 2]" 1
1022 1 124 GLY QA 1 126 THR H . . 4.520 4.082 3.788 4.301 . 0 0 "[ . 1 . 2]" 1
1023 1 124 GLY QA 1 133 VAL QG . . 5.340 5.654 5.294 6.056 0.716 8 6 "[ * . + 1-* . **2]" 1
1024 1 124 GLY HA2 1 126 THR MG . . 5.500 5.198 4.172 5.691 0.191 15 0 "[ . 1 . 2]" 1
1025 1 124 GLY HA3 1 126 THR MG . . 5.500 5.540 5.198 6.105 0.605 10 1 "[ . + . 2]" 1
1026 1 125 ALA H 1 125 ALA MB . . 3.020 2.387 2.217 2.746 . 0 0 "[ . 1 . 2]" 1
1027 1 125 ALA H 1 126 THR H . . 4.530 3.487 2.640 3.870 . 0 0 "[ . 1 . 2]" 1
1028 1 125 ALA H 1 126 THR HB . . 5.500 5.189 4.313 5.694 0.194 2 0 "[ . 1 . 2]" 1
1029 1 125 ALA H 1 133 VAL QG . . 4.840 4.658 4.086 5.324 0.484 12 0 "[ . 1 . 2]" 1
1030 1 125 ALA H 1 136 TRP HA . . 4.090 2.684 1.806 3.593 . 0 0 "[ . 1 . 2]" 1
1031 1 125 ALA H 1 136 TRP HB3 . . 4.710 4.362 3.202 5.177 0.467 8 0 "[ . 1 . 2]" 1
1032 1 125 ALA H 1 137 VAL QG . . 3.950 2.663 1.810 4.346 0.396 16 0 "[ . 1 . 2]" 1
1033 1 125 ALA HA 1 126 THR H . . 2.760 2.477 2.363 2.758 . 0 0 "[ . 1 . 2]" 1
1034 1 125 ALA HA 1 127 GLU QB . . 4.020 3.737 3.278 4.757 0.737 20 1 "[ . 1 . +]" 1
1035 1 125 ALA HA 1 131 GLU QG . . 5.500 5.387 4.568 6.634 1.134 20 4 "[ - * * . +]" 1
1036 1 125 ALA MB 1 126 THR H . . 3.770 3.738 3.711 3.768 . 0 0 "[ . 1 . 2]" 1
1037 1 125 ALA MB 1 127 GLU QG . . 5.340 4.697 2.655 5.231 . 0 0 "[ . 1 . 2]" 1
1038 1 125 ALA MB 1 133 VAL QG . . 3.180 2.217 2.084 2.482 . 0 0 "[ . 1 . 2]" 1
1039 1 125 ALA MB 1 136 TRP HA . . 4.110 2.530 2.042 3.213 . 0 0 "[ . 1 . 2]" 1
1040 1 125 ALA MB 1 136 TRP HB2 . . 5.500 4.617 4.158 5.263 . 0 0 "[ . 1 . 2]" 1
1041 1 126 THR H 1 126 THR HB . . 3.450 2.577 2.489 2.672 . 0 0 "[ . 1 . 2]" 1
1042 1 126 THR H 1 126 THR MG . . 2.980 2.062 1.945 2.173 . 0 0 "[ . 1 . 2]" 1
1043 1 126 THR H 1 127 GLU QB . . 4.650 4.464 4.336 4.736 0.086 10 0 "[ . 1 . 2]" 1
1044 1 126 THR HA 1 126 THR MG . . 3.270 3.271 3.264 3.279 0.009 17 0 "[ . 1 . 2]" 1
1045 1 126 THR MG 1 127 GLU H . . 2.530 2.691 2.555 2.961 0.431 8 0 "[ . 1 . 2]" 1
1046 1 127 GLU H 1 127 GLU QG . . 3.400 2.384 2.181 3.139 . 0 0 "[ . 1 . 2]" 1
1047 1 127 GLU H 1 131 GLU QG . . 5.500 4.781 4.369 5.194 . 0 0 "[ . 1 . 2]" 1
1048 1 127 GLU HA 1 127 GLU QG . . 3.290 2.962 2.830 3.538 0.248 20 0 "[ . 1 . 2]" 1
1049 1 127 GLU HA 1 131 GLU QG . . 5.500 4.730 4.198 5.253 . 0 0 "[ . 1 . 2]" 1
1050 1 127 GLU QB 1 131 GLU H . . 3.650 4.001 3.826 4.538 0.888 20 2 "[ . 1 - . +]" 1
1051 1 127 GLU QB 1 131 GLU QG . . 2.470 2.287 2.001 2.572 0.102 1 0 "[ . 1 . 2]" 1
1052 1 128 PRO HA 1 130 ASP H . . 4.340 4.280 4.041 4.392 0.052 8 0 "[ . 1 . 2]" 1
1053 1 128 PRO HA 1 134 LEU QB . . 4.460 3.107 2.533 3.719 . 0 0 "[ . 1 . 2]" 1
1054 1 128 PRO HA 1 134 LEU QD . . 4.110 2.402 2.153 3.050 . 0 0 "[ . 1 . 2]" 1
1055 1 128 PRO HA 1 134 LEU HG . . 3.680 3.006 2.567 3.799 0.119 12 0 "[ . 1 . 2]" 1
1056 1 129 ASP QB 1 134 LEU QB . . 4.770 3.806 2.210 4.847 0.077 20 0 "[ . 1 . 2]" 1
1057 1 130 ASP H 1 130 ASP HA . . 2.940 2.858 2.821 2.877 . 0 0 "[ . 1 . 2]" 1
1058 1 130 ASP HA 1 131 GLU HA . . 5.310 4.757 4.698 4.828 . 0 0 "[ . 1 . 2]" 1
1059 1 130 ASP QB 1 131 GLU QG . . 4.980 4.295 3.287 5.349 0.369 10 0 "[ . 1 . 2]" 1
1060 1 131 GLU H 1 131 GLU QB . . 3.820 2.363 2.146 2.789 . 0 0 "[ . 1 . 2]" 1
1061 1 131 GLU H 1 131 GLU QG . . 3.880 3.176 1.935 3.992 0.112 10 0 "[ . 1 . 2]" 1
1062 1 131 GLU QB 1 131 GLU QG . . 2.400 1.997 1.980 2.053 . 0 0 "[ . 1 . 2]" 1
1063 1 131 GLU QB 1 133 VAL H . . 4.110 3.522 3.318 3.998 . 0 0 "[ . 1 . 2]" 1
1064 1 132 ARG H 1 132 ARG QG . . 4.330 4.433 4.355 4.480 0.150 13 0 "[ . 1 . 2]" 1
1065 1 132 ARG H 1 133 VAL H . . 3.920 2.389 2.253 2.578 . 0 0 "[ . 1 . 2]" 1
1066 1 132 ARG H 1 133 VAL HA . . 4.540 4.414 4.287 4.538 . 0 0 "[ . 1 . 2]" 1
1067 1 132 ARG H 1 133 VAL QG . . 5.250 4.071 3.992 4.154 . 0 0 "[ . 1 . 2]" 1
1068 1 132 ARG HA 1 132 ARG QD . . 3.830 2.142 2.018 2.320 . 0 0 "[ . 1 . 2]" 1
1069 1 132 ARG HA 1 133 VAL QG . . 5.500 4.086 3.990 4.301 . 0 0 "[ . 1 . 2]" 1
1070 1 132 ARG QB 1 132 ARG QD . . 3.010 2.443 2.388 2.524 . 0 0 "[ . 1 . 2]" 1
1071 1 132 ARG QB 1 137 VAL QG . . 5.440 5.316 4.586 5.890 0.450 20 0 "[ . 1 . 2]" 1
1072 1 132 ARG QD 1 133 VAL H . . 4.630 4.642 4.296 4.839 0.209 18 0 "[ . 1 . 2]" 1
1073 1 132 ARG QD 1 133 VAL QG . . 4.840 3.766 3.184 4.109 . 0 0 "[ . 1 . 2]" 1
1074 1 132 ARG HE 1 132 ARG QG . . 2.910 2.223 2.169 2.685 . 0 0 "[ . 1 . 2]" 1
1075 1 132 ARG HE 1 133 VAL QG . . 3.520 3.514 3.023 3.985 0.465 12 0 "[ . 1 . 2]" 1
1076 1 132 ARG QG 1 133 VAL H . . 3.940 3.461 3.003 3.662 . 0 0 "[ . 1 . 2]" 1
1077 1 132 ARG QG 1 133 VAL HA . . 3.940 4.114 3.935 4.242 0.302 10 0 "[ . 1 . 2]" 1
1078 1 132 ARG QG 1 133 VAL QG . . 2.580 2.158 2.007 2.336 . 0 0 "[ . 1 . 2]" 1
1079 1 133 VAL H 1 133 VAL QG . . 3.460 2.286 2.158 2.412 . 0 0 "[ . 1 . 2]" 1
1080 1 133 VAL H 1 135 GLY H . . 5.500 5.566 5.464 5.671 0.171 9 0 "[ . 1 . 2]" 1
1081 1 133 VAL HA 1 133 VAL QG . . 3.220 2.299 2.217 2.350 . 0 0 "[ . 1 . 2]" 1
1082 1 133 VAL HA 1 134 LEU QB . . 5.500 4.116 3.735 4.657 . 0 0 "[ . 1 . 2]" 1
1083 1 133 VAL HA 1 135 GLY H . . 4.140 3.948 3.824 4.118 . 0 0 "[ . 1 . 2]" 1
1084 1 133 VAL HB 1 134 LEU H . . 4.560 2.707 2.421 2.987 . 0 0 "[ . 1 . 2]" 1
1085 1 133 VAL QG 1 134 LEU H . . 4.040 3.329 3.174 3.462 . 0 0 "[ . 1 . 2]" 1
1086 1 133 VAL QG 1 134 LEU HA . . 4.700 4.122 3.940 4.266 . 0 0 "[ . 1 . 2]" 1
1087 1 133 VAL QG 1 134 LEU QB . . 5.400 4.606 4.417 4.830 . 0 0 "[ . 1 . 2]" 1
1088 1 133 VAL QG 1 135 GLY H . . 3.930 3.293 3.117 3.478 . 0 0 "[ . 1 . 2]" 1
1089 1 133 VAL QG 1 135 GLY HA2 . . 5.500 5.226 5.074 5.368 . 0 0 "[ . 1 . 2]" 1
1090 1 133 VAL QG 1 135 GLY HA3 . . 4.620 4.360 4.201 4.503 . 0 0 "[ . 1 . 2]" 1
1091 1 133 VAL QG 1 136 TRP HA . . 5.500 4.245 3.869 4.776 . 0 0 "[ . 1 . 2]" 1
1092 1 134 LEU H 1 134 LEU QD . . 3.880 3.023 1.868 3.741 . 0 0 "[ . 1 . 2]" 1
1093 1 134 LEU H 1 134 LEU HG . . 4.640 4.037 3.007 4.610 . 0 0 "[ . 1 . 2]" 1
1094 1 134 LEU HA 1 134 LEU QD . . 4.190 3.212 3.173 3.284 . 0 0 "[ . 1 . 2]" 1
1095 1 134 LEU HA 1 134 LEU HG . . 2.700 2.678 2.560 2.870 0.170 4 0 "[ . 1 . 2]" 1
1096 1 134 LEU QB 1 134 LEU HG . . 2.540 2.499 2.448 2.520 . 0 0 "[ . 1 . 2]" 1
1097 1 134 LEU QD 1 135 GLY H . . 3.680 3.699 3.425 4.026 0.346 3 0 "[ . 1 . 2]" 1
1098 1 134 LEU HG 1 135 GLY H . . 4.930 4.881 4.690 5.094 0.164 17 0 "[ . 1 . 2]" 1
1099 1 136 TRP HA 1 137 VAL HA . . 4.570 4.566 4.505 4.624 0.054 15 0 "[ . 1 . 2]" 1
1100 1 136 TRP HA 1 137 VAL HB . . 4.720 4.794 4.377 5.038 0.318 9 0 "[ . 1 . 2]" 1
1101 1 136 TRP HA 1 137 VAL QG . . 3.680 3.445 3.214 3.848 0.168 8 0 "[ . 1 . 2]" 1
1102 1 136 TRP HB2 1 137 VAL HB . . 5.500 5.412 5.043 5.585 0.085 6 0 "[ . 1 . 2]" 1
1103 1 136 TRP HB3 1 136 TRP HD1 . . 3.540 2.466 2.440 2.509 . 0 0 "[ . 1 . 2]" 1
1104 1 136 TRP HB3 1 137 VAL QG . . 5.440 5.058 4.909 5.342 . 0 0 "[ . 1 . 2]" 1
1105 1 137 VAL H 1 137 VAL QG . . 4.240 2.822 2.533 3.229 . 0 0 "[ . 1 . 2]" 1
1106 1 137 VAL H 1 138 GLU HA . . 4.870 4.594 4.453 4.693 . 0 0 "[ . 1 . 2]" 1
1107 1 137 VAL HA 1 137 VAL MG1 . . 3.350 3.048 2.507 3.252 . 0 0 "[ . 1 . 2]" 1
1108 1 137 VAL HA 1 137 VAL QG . . 2.920 2.455 2.136 2.605 . 0 0 "[ . 1 . 2]" 1
1109 1 137 VAL HA 1 137 VAL MG2 . . 3.350 2.595 2.310 2.764 . 0 0 "[ . 1 . 2]" 1
1110 1 137 VAL QG 1 138 GLU HA . . 3.970 3.641 3.501 3.920 . 0 0 "[ . 1 . 2]" 1
1111 1 137 VAL QG 1 139 LEU H . . 5.440 4.322 4.061 4.574 . 0 0 "[ . 1 . 2]" 1
1112 1 137 VAL MG1 1 138 GLU QB . . 5.500 5.147 4.107 5.527 0.027 17 0 "[ . 1 . 2]" 1
1113 1 137 VAL MG2 1 138 GLU QB . . 5.500 4.399 3.972 5.556 0.056 16 0 "[ . 1 . 2]" 1
1114 1 138 GLU HA 1 138 GLU QG . . 3.770 2.516 2.127 3.193 . 0 0 "[ . 1 . 2]" 1
1115 1 138 GLU HA 1 139 LEU QD . . 3.560 3.126 2.652 3.463 . 0 0 "[ . 1 . 2]" 1
1116 1 138 GLU HA 1 139 LEU HG . . 4.370 3.746 2.780 4.145 . 0 0 "[ . 1 . 2]" 1
1117 1 138 GLU HA 1 140 GLU H . . 5.500 5.675 5.161 6.136 0.636 8 2 "[ . + 1- . 2]" 1
1118 1 138 GLU QB 1 139 LEU QD . . 5.440 4.554 4.334 4.790 . 0 0 "[ . 1 . 2]" 1
1119 1 138 GLU QG 1 139 LEU H . . 3.790 2.625 2.020 3.538 . 0 0 "[ . 1 . 2]" 1
1120 1 139 LEU HA 1 139 LEU QD . . 4.040 3.469 3.431 3.508 . 0 0 "[ . 1 . 2]" 1
1121 1 140 GLU H 1 141 LEU QD . . 5.440 2.822 2.514 3.458 . 0 0 "[ . 1 . 2]" 1
1122 1 141 LEU HA 1 141 LEU QD . . 4.230 3.476 3.466 3.492 . 0 0 "[ . 1 . 2]" 1
1123 1 141 LEU HA 1 142 SER QB . . 4.880 4.567 3.953 4.778 . 0 0 "[ . 1 . 2]" 1
1124 1 141 LEU HG 1 142 SER QB . . 5.340 4.872 4.624 5.195 . 0 0 "[ . 1 . 2]" 1
1125 1 142 SER QB 1 143 HIS H . . 4.130 2.715 2.229 4.086 . 0 0 "[ . 1 . 2]" 1
1126 1 143 HIS H 1 143 HIS HD2 . . 4.210 2.967 2.316 4.797 0.587 20 1 "[ . 1 . +]" 1
1127 1 143 HIS QB 1 148 LEU QD . . 4.250 4.047 2.131 4.763 0.513 8 1 "[ . + 1 . 2]" 1
1128 1 144 HIS H 1 148 LEU QD . . 4.070 3.078 2.123 4.656 0.586 12 1 "[ . 1 + . 2]" 1
1129 1 144 HIS QB 1 145 GLY H . . 4.070 3.175 2.299 3.761 . 0 0 "[ . 1 . 2]" 1
1130 1 145 GLY H 1 148 LEU QD . . 4.110 3.539 1.778 4.761 0.651 16 3 "[- . * 1 .+ 2]" 1
1131 1 145 GLY QA 1 146 THR H . . 3.310 2.868 2.414 2.979 . 0 0 "[ . 1 . 2]" 1
1132 1 146 THR H 1 148 LEU QD . . 3.600 3.214 2.277 4.038 0.438 16 0 "[ . 1 . 2]" 1
1133 1 146 THR HB 1 147 LEU QB . . 3.940 3.800 3.270 4.341 0.401 11 0 "[ . 1 . 2]" 1
1134 1 146 THR HB 1 147 LEU QD . . 3.420 3.371 2.154 4.013 0.593 7 3 "[ - . + 1 * . 2]" 1
1135 1 146 THR MG 1 147 LEU H . . 3.870 3.069 1.696 3.845 . 0 0 "[ . 1 . 2]" 1
1136 1 147 LEU H 1 147 LEU QD . . 3.510 2.642 1.734 3.492 . 0 0 "[ . 1 . 2]" 1
1137 1 147 LEU HA 1 147 LEU QD . . 3.270 2.243 1.965 3.145 . 0 0 "[ . 1 . 2]" 1
1138 1 148 LEU H 1 148 LEU QB . . 3.410 2.762 2.182 3.484 0.074 19 0 "[ . 1 . 2]" 1
1139 1 148 LEU H 1 148 LEU QD . . 3.620 3.176 2.466 3.632 0.012 3 0 "[ . 1 . 2]" 1
1140 1 148 LEU H 1 148 LEU HG . . 3.250 2.801 2.298 3.246 . 0 0 "[ . 1 . 2]" 1
1141 1 148 LEU HA 1 148 LEU QD . . 3.290 2.376 2.139 3.479 0.189 14 0 "[ . 1 . 2]" 1
1142 1 148 LEU HA 1 149 ARG QH1 . . 5.500 5.198 3.224 6.493 0.993 20 2 "[ . - . +]" 1
1143 1 148 LEU QB 1 149 ARG H . . 3.740 2.880 1.884 3.969 0.229 18 0 "[ . 1 . 2]" 1
1144 1 148 LEU QD 1 149 ARG QH1 . . 5.500 4.877 3.420 6.942 1.442 20 2 "[ . 1 .- +]" 1
1145 1 149 ARG HA 1 149 ARG QG . . 3.710 3.114 2.345 3.549 . 0 0 "[ . 1 . 2]" 1
1146 1 149 ARG HA 1 150 GLY H . . 3.110 2.486 2.151 3.327 0.217 19 0 "[ . 1 . 2]" 1
1147 1 149 ARG QB 1 150 GLY H . . 4.030 2.926 2.167 4.070 0.040 20 0 "[ . 1 . 2]" 1
1148 1 149 ARG HE 1 150 GLY H . . 5.500 5.408 3.322 6.962 1.462 15 3 "[ - . 1 * + 2]" 1
1149 1 149 ARG QG 1 150 GLY H . . 4.140 3.255 1.708 4.547 0.407 12 0 "[ . 1 . 2]" 1
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