NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
554872 |
2lnc   |
17523 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lnc
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 2557
_Distance_constraint_stats_list.Viol_count 3139
_Distance_constraint_stats_list.Viol_total 1866.680
_Distance_constraint_stats_list.Viol_max 1.569
_Distance_constraint_stats_list.Viol_rms 0.0272
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0297
_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 7 HIS 0.003 0.001 3 0 "[ . 1 . 2]"
1 8 ALA 0.026 0.010 14 0 "[ . 1 . 2]"
1 10 PRO 1.164 0.057 10 0 "[ . 1 . 2]"
1 11 THR 0.668 0.025 4 0 "[ . 1 . 2]"
1 12 LEU 1.071 0.049 4 0 "[ . 1 . 2]"
1 13 TRP 0.082 0.042 7 0 "[ . 1 . 2]"
1 14 SER 0.044 0.010 2 0 "[ . 1 . 2]"
1 15 ARG 0.363 0.101 11 0 "[ . 1 . 2]"
1 16 VAL 0.579 0.101 11 0 "[ . 1 . 2]"
1 17 THR 0.953 0.043 19 0 "[ . 1 . 2]"
1 18 LYS 1.473 0.081 19 0 "[ . 1 . 2]"
1 19 PHE 0.836 0.045 7 0 "[ . 1 . 2]"
1 20 GLY 0.314 0.026 7 0 "[ . 1 . 2]"
1 21 SER 0.040 0.010 14 0 "[ . 1 . 2]"
1 22 GLY 0.169 0.023 18 0 "[ . 1 . 2]"
1 23 TRP 2.029 0.081 19 0 "[ . 1 . 2]"
1 24 GLY 1.208 0.043 19 0 "[ . 1 . 2]"
1 25 PHE 0.596 0.234 17 0 "[ . 1 . 2]"
1 26 TRP 0.144 0.011 18 0 "[ . 1 . 2]"
1 27 VAL 1.091 0.082 19 0 "[ . 1 . 2]"
1 28 SER 0.125 0.011 18 0 "[ . 1 . 2]"
1 29 PRO 0.057 0.014 13 0 "[ . 1 . 2]"
1 30 THR 0.488 0.033 1 0 "[ . 1 . 2]"
1 31 VAL 1.203 0.064 7 0 "[ . 1 . 2]"
1 32 PHE 0.465 0.017 2 0 "[ . 1 . 2]"
1 33 ILE 0.243 0.234 17 0 "[ . 1 . 2]"
1 34 THR 0.229 0.042 1 0 "[ . 1 . 2]"
1 35 THR 0.411 0.042 1 0 "[ . 1 . 2]"
1 36 THR 0.071 0.008 1 0 "[ . 1 . 2]"
1 37 HIS 1.197 0.080 1 0 "[ . 1 . 2]"
1 38 VAL 2.576 0.118 17 0 "[ . 1 . 2]"
1 39 VAL 0.461 0.045 17 0 "[ . 1 . 2]"
1 40 PRO 1.318 0.042 14 0 "[ . 1 . 2]"
1 41 THR 0.820 0.042 14 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 0.125 0.013 20 0 "[ . 1 . 2]"
1 44 LYS 0.018 0.005 16 0 "[ . 1 . 2]"
1 45 GLU 3.021 0.095 18 0 "[ . 1 . 2]"
1 46 PHE 0.984 0.055 16 0 "[ . 1 . 2]"
1 47 PHE 2.842 0.126 4 0 "[ . 1 . 2]"
1 48 GLY 23.860 1.569 14 20 [**********-**+******]
1 49 GLU 0.081 0.007 16 0 "[ . 1 . 2]"
1 50 PRO 0.349 0.045 20 0 "[ . 1 . 2]"
1 51 LEU 1.264 0.131 17 0 "[ . 1 . 2]"
1 52 SER 0.608 0.131 17 0 "[ . 1 . 2]"
1 53 SER 1.866 0.088 20 0 "[ . 1 . 2]"
1 54 ILE 25.190 1.569 14 20 [*************+****-*]
1 55 ALA 0.049 0.023 17 0 "[ . 1 . 2]"
1 56 ILE 0.015 0.002 8 0 "[ . 1 . 2]"
1 57 HIS 0.038 0.004 16 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ALA 0.026 0.015 8 0 "[ . 1 . 2]"
1 60 GLY 0.024 0.015 8 0 "[ . 1 . 2]"
1 61 GLU 11.131 1.010 6 10 "[** .+**-* **. *2]"
1 62 PHE 11.078 1.010 6 10 "[** .+**-* **. *2]"
1 63 THR 0.043 0.007 8 0 "[ . 1 . 2]"
1 64 GLN 0.004 0.001 15 0 "[ . 1 . 2]"
1 65 PHE 3.137 0.521 4 2 "[ +. 1 . -2]"
1 66 ARG 0.027 0.005 9 0 "[ . 1 . 2]"
1 67 PHE 1.175 0.072 11 0 "[ . 1 . 2]"
1 68 SER 0.158 0.019 11 0 "[ . 1 . 2]"
1 69 LYS 0.137 0.019 11 0 "[ . 1 . 2]"
1 70 LYS 0.885 0.042 2 0 "[ . 1 . 2]"
1 71 MET 0.558 0.042 2 0 "[ . 1 . 2]"
1 72 ARG 0.176 0.023 18 0 "[ . 1 . 2]"
1 73 PRO 0.093 0.024 6 0 "[ . 1 . 2]"
1 74 ASP 0.120 0.017 8 0 "[ . 1 . 2]"
1 75 LEU 0.277 0.091 13 0 "[ . 1 . 2]"
1 76 THR 0.142 0.057 13 0 "[ . 1 . 2]"
1 77 GLY 0.218 0.091 13 0 "[ . 1 . 2]"
1 78 MET 0.048 0.015 4 0 "[ . 1 . 2]"
1 79 VAL 0.097 0.013 2 0 "[ . 1 . 2]"
1 80 LEU 0.035 0.007 14 0 "[ . 1 . 2]"
1 81 GLU 0.032 0.006 1 0 "[ . 1 . 2]"
1 82 GLU 0.005 0.001 1 0 "[ . 1 . 2]"
1 83 GLY 0.992 0.975 2 1 "[ + . 1 . 2]"
1 84 CYS 0.011 0.007 14 0 "[ . 1 . 2]"
1 85 PRO 0.152 0.009 2 0 "[ . 1 . 2]"
1 86 GLU 1.331 0.551 16 1 "[ . 1 .+ 2]"
1 87 GLY 0.066 0.012 3 0 "[ . 1 . 2]"
1 88 THR 0.277 0.023 8 0 "[ . 1 . 2]"
1 89 VAL 0.333 0.025 8 0 "[ . 1 . 2]"
1 90 CYS 0.151 0.018 9 0 "[ . 1 . 2]"
1 91 SER 0.065 0.011 3 0 "[ . 1 . 2]"
1 92 VAL 0.230 0.014 3 0 "[ . 1 . 2]"
1 93 LEU 0.165 0.016 5 0 "[ . 1 . 2]"
1 94 ILE 0.089 0.009 10 0 "[ . 1 . 2]"
1 95 LYS 0.156 0.063 14 0 "[ . 1 . 2]"
1 96 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ASP 0.485 0.018 17 0 "[ . 1 . 2]"
1 98 SER 0.322 0.018 17 0 "[ . 1 . 2]"
1 99 GLY 0.171 0.010 16 0 "[ . 1 . 2]"
1 100 GLU 4.081 0.919 13 3 "[ * -. 1 + . 2]"
1 101 LEU 4.091 0.919 13 3 "[ * -. 1 + . 2]"
1 102 LEU 0.031 0.003 10 0 "[ . 1 . 2]"
1 103 PRO 0.038 0.005 10 0 "[ . 1 . 2]"
1 104 LEU 0.068 0.010 16 0 "[ . 1 . 2]"
1 105 ALA 0.044 0.008 8 0 "[ . 1 . 2]"
1 106 VAL 0.090 0.013 9 0 "[ . 1 . 2]"
1 107 ARG 0.028 0.004 5 0 "[ . 1 . 2]"
1 108 MET 0.645 0.025 8 0 "[ . 1 . 2]"
1 109 GLY 0.006 0.002 13 0 "[ . 1 . 2]"
1 110 ALA 2.627 0.551 16 1 "[ . 1 .+ 2]"
1 111 ILE 0.977 0.975 2 1 "[ + . 1 . 2]"
1 112 ALA 0.006 0.001 5 0 "[ . 1 . 2]"
1 113 SER 0.005 0.002 13 0 "[ . 1 . 2]"
1 114 MET 0.037 0.004 13 0 "[ . 1 . 2]"
1 115 ARG 0.004 0.001 4 0 "[ . 1 . 2]"
1 116 ILE 0.002 0.001 13 0 "[ . 1 . 2]"
1 117 GLN 0.004 0.001 5 0 "[ . 1 . 2]"
1 118 GLY 0.002 0.001 1 0 "[ . 1 . 2]"
1 119 ARG 0.009 0.001 5 0 "[ . 1 . 2]"
1 120 LEU 0.008 0.002 17 0 "[ . 1 . 2]"
1 121 VAL 0.007 0.002 17 0 "[ . 1 . 2]"
1 122 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 GLY 0.013 0.003 12 0 "[ . 1 . 2]"
1 124 GLN 0.020 0.004 13 0 "[ . 1 . 2]"
1 125 SER 0.002 0.001 5 0 "[ . 1 . 2]"
1 126 GLY 1.300 0.373 13 0 "[ . 1 . 2]"
1 127 MET 0.062 0.007 18 0 "[ . 1 . 2]"
1 128 LEU 0.098 0.010 13 0 "[ . 1 . 2]"
1 129 LEU 0.073 0.009 4 0 "[ . 1 . 2]"
1 130 THR 0.695 0.051 1 0 "[ . 1 . 2]"
1 131 GLY 0.613 0.051 1 0 "[ . 1 . 2]"
1 132 ALA 0.107 0.021 7 0 "[ . 1 . 2]"
1 133 ASN 0.227 0.061 7 0 "[ . 1 . 2]"
1 134 ALA 0.002 0.002 1 0 "[ . 1 . 2]"
1 135 LYS 0.265 0.019 17 0 "[ . 1 . 2]"
1 136 GLY 0.089 0.024 7 0 "[ . 1 . 2]"
1 137 MET 4.753 0.102 5 0 "[ . 1 . 2]"
1 138 ASP 6.229 0.287 7 0 "[ . 1 . 2]"
1 139 LEU 4.888 0.287 7 0 "[ . 1 . 2]"
1 140 GLY 0.896 0.064 7 0 "[ . 1 . 2]"
1 141 THR 1.282 0.084 19 0 "[ . 1 . 2]"
1 142 ILE 0.648 0.068 4 0 "[ . 1 . 2]"
1 143 PRO 1.321 0.098 12 0 "[ . 1 . 2]"
1 144 GLY 1.288 0.098 12 0 "[ . 1 . 2]"
1 145 ASP 1.550 0.054 14 0 "[ . 1 . 2]"
1 146 CYS 1.823 0.087 14 0 "[ . 1 . 2]"
1 147 GLY 0.090 0.014 5 0 "[ . 1 . 2]"
1 148 ALA 2.979 0.087 14 0 "[ . 1 . 2]"
1 149 PRO 0.193 0.022 3 0 "[ . 1 . 2]"
1 150 TYR 0.167 0.019 13 0 "[ . 1 . 2]"
1 151 VAL 0.622 0.036 6 0 "[ . 1 . 2]"
1 152 HIS 0.965 0.036 6 0 "[ . 1 . 2]"
1 153 LYS 0.139 0.012 6 0 "[ . 1 . 2]"
1 154 ARG 0.645 0.055 10 0 "[ . 1 . 2]"
1 155 GLY 0.440 0.037 10 0 "[ . 1 . 2]"
1 156 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 157 ASP 1.220 0.114 18 0 "[ . 1 . 2]"
1 158 TRP 1.914 0.107 15 0 "[ . 1 . 2]"
1 159 VAL 0.278 0.032 18 0 "[ . 1 . 2]"
1 160 VAL 0.005 0.003 20 0 "[ . 1 . 2]"
1 161 CYS 0.950 0.051 17 0 "[ . 1 . 2]"
1 162 GLY 0.843 0.051 17 0 "[ . 1 . 2]"
1 163 VAL 0.280 0.017 8 0 "[ . 1 . 2]"
1 164 HIS 1.905 0.078 17 0 "[ . 1 . 2]"
1 165 ALA 0.247 0.026 13 0 "[ . 1 . 2]"
1 166 ALA 0.101 0.020 16 0 "[ . 1 . 2]"
1 167 ALA 0.041 0.006 11 0 "[ . 1 . 2]"
1 168 THR 0.037 0.008 6 0 "[ . 1 . 2]"
1 169 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 170 SER 0.036 0.008 6 0 "[ . 1 . 2]"
1 171 GLY 0.056 0.016 14 0 "[ . 1 . 2]"
1 172 ASN 0.139 0.016 14 0 "[ . 1 . 2]"
1 173 THR 0.046 0.008 16 0 "[ . 1 . 2]"
1 174 VAL 0.279 0.020 16 0 "[ . 1 . 2]"
1 175 VAL 0.018 0.007 16 0 "[ . 1 . 2]"
1 176 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 179 GLN 0.009 0.002 19 0 "[ . 1 . 2]"
1 180 ALA 0.005 0.002 19 0 "[ . 1 . 2]"
1 181 GLY 0.001 0.001 6 0 "[ . 1 . 2]"
1 182 GLU 0.181 0.061 14 0 "[ . 1 . 2]"
1 183 GLY 0.003 0.001 9 0 "[ . 1 . 2]"
1 184 GLU 0.006 0.002 6 0 "[ . 1 . 2]"
1 185 THR 0.028 0.018 19 0 "[ . 1 . 2]"
1 186 ALA 0.004 0.002 6 0 "[ . 1 . 2]"
1 187 LEU 0.075 0.050 8 0 "[ . 1 . 2]"
1 188 GLU 0.140 0.051 5 0 "[ . 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 7 HIS H 1 8 ALA H 4.000 . 6.000 3.568 1.999 4.631 . 0 0 "[ . 1 . 2]" 1
2 1 7 HIS HB2 1 8 ALA H 3.500 . 5.000 3.922 2.012 4.637 . 0 0 "[ . 1 . 2]" 1
3 1 7 HIS HB3 1 8 ALA H 3.500 . 5.000 3.360 1.995 4.634 . 0 0 "[ . 1 . 2]" 1
4 1 7 HIS HD2 1 8 ALA H 4.000 . 6.000 3.918 2.221 5.609 . 0 0 "[ . 1 . 2]" 1
5 1 7 HIS HD2 1 8 ALA HA 4.000 . 6.000 5.429 3.139 6.001 0.001 3 0 "[ . 1 . 2]" 1
6 1 7 HIS HB2 1 8 ALA MB 4.500 . 6.500 5.208 3.524 6.019 . 0 0 "[ . 1 . 2]" 1
7 1 7 HIS HB3 1 8 ALA MB 4.500 . 6.500 4.549 3.010 5.997 . 0 0 "[ . 1 . 2]" 1
8 1 7 HIS HD2 1 8 ALA MB 4.500 . 6.500 4.793 3.530 6.173 . 0 0 "[ . 1 . 2]" 1
9 1 8 ALA H 1 8 ALA HA 3.000 . 3.500 2.886 2.783 2.948 . 0 0 "[ . 1 . 2]" 1
10 1 8 ALA H 1 8 ALA MB 3.000 . 3.500 2.279 2.054 2.681 . 0 0 "[ . 1 . 2]" 1
11 1 8 ALA HA 1 12 LEU MD1 4.500 . 6.500 4.177 2.344 6.277 . 0 0 "[ . 1 . 2]" 1
12 1 8 ALA MB 1 12 LEU HB2 4.000 . 5.500 4.708 2.981 5.510 0.010 14 0 "[ . 1 . 2]" 1
13 1 8 ALA MB 1 12 LEU HB3 4.000 . 5.500 3.698 2.086 4.732 . 0 0 "[ . 1 . 2]" 1
14 1 8 ALA MB 1 12 LEU MD1 4.000 . 5.500 3.544 1.808 4.662 . 0 0 "[ . 1 . 2]" 1
15 1 8 ALA MB 1 12 LEU MD2 4.000 . 5.500 3.401 1.986 4.752 . 0 0 "[ . 1 . 2]" 1
16 1 8 ALA MB 1 13 TRP HE1 4.000 . 5.500 2.079 1.831 3.652 . 0 0 "[ . 1 . 2]" 1
17 1 8 ALA MB 1 158 TRP HE1 4.500 . 6.500 6.004 4.989 6.503 0.003 11 0 "[ . 1 . 2]" 1
18 1 8 ALA MB 1 93 LEU MD2 4.500 . 6.500 3.368 2.057 4.756 . 0 0 "[ . 1 . 2]" 1
19 1 10 PRO HA 1 10 PRO HB2 2.500 . 2.700 2.746 2.738 2.757 0.057 10 0 "[ . 1 . 2]" 1
20 1 10 PRO HB2 1 10 PRO HG3 3.000 . 3.500 2.680 2.678 2.682 . 0 0 "[ . 1 . 2]" 1
21 1 10 PRO HD3 1 10 PRO HG3 3.000 . 3.500 2.311 2.305 2.320 . 0 0 "[ . 1 . 2]" 1
22 1 10 PRO HD2 1 10 PRO HG3 3.000 . 3.500 2.692 2.678 2.700 . 0 0 "[ . 1 . 2]" 1
23 1 10 PRO HA 1 11 THR HB 4.000 . 6.000 5.840 5.797 5.876 . 0 0 "[ . 1 . 2]" 1
24 1 10 PRO HB2 1 11 THR HB 3.500 . 5.000 5.011 5.009 5.017 0.017 4 0 "[ . 1 . 2]" 1
25 1 10 PRO HA 1 11 THR HA 3.500 . 5.000 4.819 4.789 4.851 . 0 0 "[ . 1 . 2]" 1
26 1 10 PRO HG3 1 11 THR H 4.000 . 6.000 3.558 3.538 3.594 . 0 0 "[ . 1 . 2]" 1
27 1 10 PRO HA 1 12 LEU H 3.500 . 5.000 4.075 3.989 4.353 . 0 0 "[ . 1 . 2]" 1
28 1 10 PRO HA 1 12 LEU HB3 4.000 . 6.000 5.034 4.855 5.285 . 0 0 "[ . 1 . 2]" 1
29 1 10 PRO HA 1 13 TRP H 3.500 . 5.000 3.570 3.386 3.673 . 0 0 "[ . 1 . 2]" 1
30 1 10 PRO HA 1 13 TRP HB2 3.500 . 5.000 3.434 2.900 3.925 . 0 0 "[ . 1 . 2]" 1
31 1 10 PRO HA 1 13 TRP HE1 4.000 . 6.000 5.362 3.258 6.003 0.003 3 0 "[ . 1 . 2]" 1
32 1 11 THR H 1 11 THR HA 3.000 . 3.500 2.748 2.726 2.774 . 0 0 "[ . 1 . 2]" 1
33 1 11 THR H 1 11 THR MG 4.500 . 6.500 3.743 3.739 3.748 . 0 0 "[ . 1 . 2]" 1
34 1 11 THR HB 1 12 LEU H 3.000 . 3.500 2.891 2.691 2.939 . 0 0 "[ . 1 . 2]" 1
35 1 11 THR HB 1 12 LEU HA 3.500 . 5.000 4.277 4.239 4.343 . 0 0 "[ . 1 . 2]" 1
36 1 11 THR HB 1 12 LEU MD1 4.000 . 5.500 5.502 5.445 5.511 0.011 4 0 "[ . 1 . 2]" 1
37 1 11 THR HB 1 12 LEU HG 4.000 . 6.000 6.016 6.009 6.025 0.025 4 0 "[ . 1 . 2]" 1
38 1 11 THR MG 1 12 LEU H 4.000 . 5.500 3.746 3.577 3.829 . 0 0 "[ . 1 . 2]" 1
39 1 11 THR MG 1 12 LEU HA 4.000 . 5.500 3.746 3.625 3.876 . 0 0 "[ . 1 . 2]" 1
40 1 11 THR HA 1 12 LEU H 3.500 . 5.000 3.483 3.471 3.525 . 0 0 "[ . 1 . 2]" 1
41 1 11 THR HB 1 13 TRP H 4.000 . 6.000 5.094 4.955 5.477 . 0 0 "[ . 1 . 2]" 1
42 1 11 THR HA 1 14 SER H 3.000 . 3.500 3.229 3.104 3.442 . 0 0 "[ . 1 . 2]" 1
43 1 11 THR H 1 14 SER H 3.500 . 5.000 4.933 4.678 5.010 0.010 2 0 "[ . 1 . 2]" 1
44 1 11 THR HA 1 14 SER HB2 3.000 . 3.500 2.768 2.301 3.479 . 0 0 "[ . 1 . 2]" 1
45 1 11 THR HA 1 14 SER HB3 3.500 . 5.000 3.693 2.763 4.459 . 0 0 "[ . 1 . 2]" 1
46 1 11 THR MG 1 14 SER H 4.000 . 5.500 4.367 4.176 4.662 . 0 0 "[ . 1 . 2]" 1
47 1 11 THR MG 1 75 LEU HA 4.000 . 5.500 3.609 1.926 5.465 . 0 0 "[ . 1 . 2]" 1
48 1 12 LEU H 1 12 LEU HA 3.000 . 3.500 2.820 2.799 2.843 . 0 0 "[ . 1 . 2]" 1
49 1 12 LEU H 1 12 LEU HB2 2.500 . 2.700 2.282 2.243 2.329 . 0 0 "[ . 1 . 2]" 1
50 1 12 LEU H 1 12 LEU HB3 2.500 . 2.700 2.731 2.716 2.749 0.049 4 0 "[ . 1 . 2]" 1
51 1 12 LEU H 1 12 LEU HG 3.500 . 5.000 4.310 4.279 4.344 . 0 0 "[ . 1 . 2]" 1
52 1 12 LEU H 1 12 LEU MD1 4.000 . 5.500 4.039 4.002 4.106 . 0 0 "[ . 1 . 2]" 1
53 1 12 LEU H 1 12 LEU MD2 4.000 . 5.500 4.262 4.234 4.296 . 0 0 "[ . 1 . 2]" 1
54 1 12 LEU H 1 13 TRP H 3.000 . 3.500 2.598 2.531 2.732 . 0 0 "[ . 1 . 2]" 1
55 1 12 LEU H 1 13 TRP HB2 3.500 . 5.000 4.805 4.539 5.014 0.014 4 0 "[ . 1 . 2]" 1
56 1 12 LEU HA 1 13 TRP H 3.500 . 5.000 3.493 3.472 3.563 . 0 0 "[ . 1 . 2]" 1
57 1 12 LEU HA 1 13 TRP HA 4.000 . 6.000 4.707 4.676 4.789 . 0 0 "[ . 1 . 2]" 1
58 1 12 LEU HB2 1 13 TRP H 3.500 . 5.000 3.803 3.544 3.861 . 0 0 "[ . 1 . 2]" 1
59 1 12 LEU HB3 1 13 TRP H 4.000 . 6.000 2.835 2.338 2.951 . 0 0 "[ . 1 . 2]" 1
60 1 12 LEU MD1 1 13 TRP H 4.500 . 6.500 4.966 4.619 5.045 . 0 0 "[ . 1 . 2]" 1
61 1 12 LEU MD2 1 13 TRP H 4.500 . 6.500 3.694 3.258 3.858 . 0 0 "[ . 1 . 2]" 1
62 1 12 LEU HG 1 13 TRP HA 4.000 . 6.000 5.406 5.292 5.501 . 0 0 "[ . 1 . 2]" 1
63 1 12 LEU H 1 14 SER H 3.500 . 5.000 4.047 3.844 4.267 . 0 0 "[ . 1 . 2]" 1
64 1 12 LEU HA 1 15 ARG H 3.500 . 5.000 3.722 3.489 4.011 . 0 0 "[ . 1 . 2]" 1
65 1 12 LEU H 1 15 ARG H 4.000 . 6.000 5.061 4.766 5.397 . 0 0 "[ . 1 . 2]" 1
66 1 12 LEU HG 1 15 ARG QB 4.500 . 6.500 4.260 3.860 4.709 . 0 0 "[ . 1 . 2]" 1
67 1 12 LEU MD1 1 151 VAL HA 4.500 . 6.500 5.457 4.765 6.502 0.002 4 0 "[ . 1 . 2]" 1
68 1 12 LEU MD1 1 151 VAL HB 4.500 . 6.500 3.690 2.936 4.805 . 0 0 "[ . 1 . 2]" 1
69 1 12 LEU MD2 1 151 VAL HA 4.500 . 6.500 4.813 4.243 5.498 . 0 0 "[ . 1 . 2]" 1
70 1 12 LEU MD2 1 151 VAL HB 4.000 . 5.500 3.246 2.535 4.101 . 0 0 "[ . 1 . 2]" 1
71 1 12 LEU MD2 1 151 VAL MG1 4.500 . 6.500 2.058 1.802 2.772 . 0 0 "[ . 1 . 2]" 1
72 1 12 LEU MD2 1 151 VAL MG2 4.500 . 6.500 2.628 1.907 3.414 . 0 0 "[ . 1 . 2]" 1
73 1 12 LEU HG 1 151 VAL MG1 4.000 . 5.500 3.696 2.991 4.716 . 0 0 "[ . 1 . 2]" 1
74 1 12 LEU MD1 1 158 TRP H 4.500 . 6.500 4.803 3.925 5.533 . 0 0 "[ . 1 . 2]" 1
75 1 12 LEU MD1 1 158 TRP HA 4.500 . 6.500 5.118 4.127 5.733 . 0 0 "[ . 1 . 2]" 1
76 1 12 LEU MD1 1 158 TRP HB2 4.000 . 5.500 2.962 2.109 3.538 . 0 0 "[ . 1 . 2]" 1
77 1 12 LEU MD1 1 158 TRP HB3 4.000 . 5.500 3.128 1.961 3.837 . 0 0 "[ . 1 . 2]" 1
78 1 12 LEU MD1 1 158 TRP HE1 4.500 . 6.500 5.452 4.019 6.500 . 0 0 "[ . 1 . 2]" 1
79 1 12 LEU MD2 1 158 TRP HB2 4.000 . 5.500 4.886 4.296 5.500 0.000 9 0 "[ . 1 . 2]" 1
80 1 12 LEU MD2 1 158 TRP HB3 4.000 . 5.500 4.500 3.783 5.351 . 0 0 "[ . 1 . 2]" 1
81 1 13 TRP H 1 13 TRP HB2 3.000 . 3.500 2.438 2.250 2.639 . 0 0 "[ . 1 . 2]" 1
82 1 13 TRP H 1 13 TRP HB3 3.500 . 5.000 3.600 3.538 3.626 . 0 0 "[ . 1 . 2]" 1
83 1 13 TRP H 1 14 SER H 3.000 . 3.500 2.409 2.337 2.636 . 0 0 "[ . 1 . 2]" 1
84 1 13 TRP HA 1 14 SER HA 4.000 . 6.000 4.780 4.717 4.849 . 0 0 "[ . 1 . 2]" 1
85 1 13 TRP HA 1 14 SER H 3.500 . 5.000 3.498 3.470 3.546 . 0 0 "[ . 1 . 2]" 1
86 1 13 TRP HB2 1 14 SER H 3.000 . 3.500 2.826 2.558 2.960 . 0 0 "[ . 1 . 2]" 1
87 1 13 TRP HB3 1 14 SER H 3.500 . 5.000 3.784 3.509 3.944 . 0 0 "[ . 1 . 2]" 1
88 1 13 TRP HB3 1 14 SER HA 3.500 . 5.000 4.464 4.236 4.700 . 0 0 "[ . 1 . 2]" 1
89 1 13 TRP H 1 15 ARG H 3.500 . 5.000 3.914 3.749 4.238 . 0 0 "[ . 1 . 2]" 1
90 1 13 TRP HA 1 15 ARG H 3.500 . 5.000 3.813 3.591 3.991 . 0 0 "[ . 1 . 2]" 1
91 1 13 TRP HA 1 15 ARG QB 4.500 . 6.500 4.276 3.988 4.476 . 0 0 "[ . 1 . 2]" 1
92 1 13 TRP HA 1 16 VAL H 3.500 . 5.000 3.881 3.168 4.117 . 0 0 "[ . 1 . 2]" 1
93 1 13 TRP HA 1 16 VAL HB 3.500 . 5.000 4.309 3.480 4.541 . 0 0 "[ . 1 . 2]" 1
94 1 13 TRP HA 1 16 VAL MG1 4.000 . 5.500 3.699 3.281 4.423 . 0 0 "[ . 1 . 2]" 1
95 1 13 TRP HB3 1 16 VAL H 4.000 . 6.000 5.251 4.690 5.555 . 0 0 "[ . 1 . 2]" 1
96 1 13 TRP HE1 1 93 LEU QD 4.000 . 5.500 3.121 1.903 5.504 0.004 4 0 "[ . 1 . 2]" 1
97 1 13 TRP HB3 1 101 LEU QD 4.500 . 6.500 2.573 1.758 3.724 0.042 7 0 "[ . 1 . 2]" 1
98 1 13 TRP HE1 1 101 LEU QD 4.500 . 6.500 3.857 2.641 4.828 . 0 0 "[ . 1 . 2]" 1
99 1 14 SER H 1 14 SER HA 3.000 . 3.500 2.829 2.788 2.870 . 0 0 "[ . 1 . 2]" 1
100 1 14 SER H 1 14 SER HB2 2.500 . 2.700 2.328 2.131 2.697 . 0 0 "[ . 1 . 2]" 1
101 1 14 SER H 1 14 SER HB3 3.500 . 5.000 3.212 2.513 3.606 . 0 0 "[ . 1 . 2]" 1
102 1 14 SER H 1 15 ARG H 2.500 . 2.700 2.584 2.450 2.709 0.009 11 0 "[ . 1 . 2]" 1
103 1 14 SER H 1 15 ARG QG 4.000 . 5.500 4.548 4.165 5.139 . 0 0 "[ . 1 . 2]" 1
104 1 14 SER HA 1 15 ARG H 3.000 . 3.500 3.440 3.437 3.444 . 0 0 "[ . 1 . 2]" 1
105 1 14 SER HB3 1 15 ARG H 3.500 . 5.000 3.547 3.087 4.198 . 0 0 "[ . 1 . 2]" 1
106 1 14 SER HB2 1 15 ARG H 3.500 . 5.000 3.537 3.107 4.165 . 0 0 "[ . 1 . 2]" 1
107 1 14 SER HA 1 16 VAL H 3.500 . 5.000 3.811 3.601 4.154 . 0 0 "[ . 1 . 2]" 1
108 1 15 ARG H 1 15 ARG QB 3.500 . 4.500 2.238 2.153 2.375 . 0 0 "[ . 1 . 2]" 1
109 1 15 ARG H 1 15 ARG QG 3.500 . 4.500 2.705 2.338 3.085 . 0 0 "[ . 1 . 2]" 1
110 1 15 ARG H 1 15 ARG QD 4.000 . 5.500 3.989 3.204 4.506 . 0 0 "[ . 1 . 2]" 1
111 1 15 ARG H 1 16 VAL H 2.500 . 2.700 2.685 2.301 2.716 0.016 20 0 "[ . 1 . 2]" 1
112 1 15 ARG H 1 16 VAL HB 3.500 . 5.000 4.981 4.771 5.018 0.018 4 0 "[ . 1 . 2]" 1
113 1 15 ARG H 1 16 VAL MG1 4.000 . 5.500 4.161 4.042 5.601 0.101 11 0 "[ . 1 . 2]" 1
114 1 15 ARG QB 1 16 VAL H 4.000 . 5.500 2.825 2.657 2.923 . 0 0 "[ . 1 . 2]" 1
115 1 15 ARG QG 1 16 VAL H 4.000 . 5.500 4.384 4.261 4.518 . 0 0 "[ . 1 . 2]" 1
116 1 15 ARG HA 1 16 VAL H 3.500 . 5.000 3.492 3.465 3.536 . 0 0 "[ . 1 . 2]" 1
117 1 15 ARG QD 1 16 VAL H 4.000 . 5.500 5.005 4.511 5.320 . 0 0 "[ . 1 . 2]" 1
118 1 15 ARG H 1 25 PHE QD 4.500 . 6.500 5.168 4.980 5.526 . 0 0 "[ . 1 . 2]" 1
119 1 15 ARG H 1 25 PHE QE 4.000 . 5.500 3.873 3.516 4.254 . 0 0 "[ . 1 . 2]" 1
120 1 15 ARG QB 1 25 PHE HA 4.000 . 5.000 3.387 2.794 3.974 . 0 0 "[ . 1 . 2]" 1
121 1 15 ARG QB 1 25 PHE QD 4.000 . 5.500 2.934 2.673 3.264 . 0 0 "[ . 1 . 2]" 1
122 1 15 ARG QB 1 25 PHE QE 4.000 . 5.500 2.211 1.936 2.433 . 0 0 "[ . 1 . 2]" 1
123 1 15 ARG QG 1 25 PHE QD 4.000 . 5.500 4.573 3.871 5.008 . 0 0 "[ . 1 . 2]" 1
124 1 15 ARG QG 1 25 PHE QE 4.000 . 5.500 3.793 3.172 4.085 . 0 0 "[ . 1 . 2]" 1
125 1 15 ARG QB 1 26 TRP H 3.500 . 4.500 2.243 1.979 3.008 . 0 0 "[ . 1 . 2]" 1
126 1 15 ARG QB 1 26 TRP HB2 4.000 . 5.500 2.865 2.626 3.358 . 0 0 "[ . 1 . 2]" 1
127 1 15 ARG QG 1 26 TRP H 4.000 . 5.500 3.552 2.420 4.888 . 0 0 "[ . 1 . 2]" 1
128 1 15 ARG QD 1 26 TRP H 4.500 . 6.500 3.511 2.817 4.382 . 0 0 "[ . 1 . 2]" 1
129 1 15 ARG QB 1 27 VAL HA 4.500 . 6.500 5.675 5.168 6.443 . 0 0 "[ . 1 . 2]" 1
130 1 15 ARG QD 1 27 VAL HA 4.000 . 5.500 4.530 3.633 5.501 0.001 8 0 "[ . 1 . 2]" 1
131 1 15 ARG H 1 75 LEU MD1 4.500 . 6.500 5.584 4.416 6.504 0.004 19 0 "[ . 1 . 2]" 1
132 1 16 VAL H 1 16 VAL HA 3.000 . 3.500 2.834 2.799 2.885 . 0 0 "[ . 1 . 2]" 1
133 1 16 VAL H 1 16 VAL HB 2.500 . 2.700 2.513 2.399 2.704 0.004 11 0 "[ . 1 . 2]" 1
134 1 16 VAL H 1 16 VAL MG1 4.000 . 5.500 2.297 2.129 3.743 . 0 0 "[ . 1 . 2]" 1
135 1 16 VAL H 1 16 VAL MG2 4.000 . 5.500 3.670 1.919 3.788 . 0 0 "[ . 1 . 2]" 1
136 1 16 VAL HA 1 17 THR H 2.500 . 2.700 2.208 2.154 2.230 . 0 0 "[ . 1 . 2]" 1
137 1 16 VAL H 1 17 THR H 3.500 . 5.000 4.582 4.350 4.628 . 0 0 "[ . 1 . 2]" 1
138 1 16 VAL HA 1 17 THR HA 4.000 . 6.000 4.429 4.396 4.447 . 0 0 "[ . 1 . 2]" 1
139 1 16 VAL MG1 1 17 THR H 3.500 . 4.000 3.754 2.969 4.006 0.006 14 0 "[ . 1 . 2]" 1
140 1 16 VAL HA 1 17 THR HB 4.000 . 6.000 4.697 4.607 4.850 . 0 0 "[ . 1 . 2]" 1
141 1 16 VAL MG2 1 17 THR HA 4.000 . 5.500 3.767 3.515 5.527 0.027 11 0 "[ . 1 . 2]" 1
142 1 16 VAL MG1 1 17 THR HA 4.500 . 6.500 3.795 3.652 4.061 . 0 0 "[ . 1 . 2]" 1
143 1 16 VAL MG2 1 23 TRP HB2 4.000 . 5.500 3.526 3.114 5.502 0.002 11 0 "[ . 1 . 2]" 1
144 1 16 VAL HA 1 24 GLY H 4.000 . 6.000 4.350 4.140 4.590 . 0 0 "[ . 1 . 2]" 1
145 1 16 VAL MG1 1 24 GLY H 4.000 . 5.500 5.421 3.816 5.526 0.026 20 0 "[ . 1 . 2]" 1
146 1 16 VAL H 1 25 PHE QD 4.000 . 5.500 3.469 3.186 4.047 . 0 0 "[ . 1 . 2]" 1
147 1 16 VAL H 1 25 PHE QE 4.000 . 5.500 3.066 2.515 3.868 . 0 0 "[ . 1 . 2]" 1
148 1 16 VAL MG1 1 25 PHE HB2 4.500 . 6.500 6.244 5.180 6.509 0.009 14 0 "[ . 1 . 2]" 1
149 1 16 VAL HA 1 25 PHE HA 3.000 . 3.500 2.570 2.273 3.145 . 0 0 "[ . 1 . 2]" 1
150 1 16 VAL MG1 1 25 PHE QD 4.500 . 6.500 4.314 3.714 4.941 . 0 0 "[ . 1 . 2]" 1
151 1 16 VAL MG2 1 25 PHE QD 4.500 . 6.500 3.365 2.465 4.181 . 0 0 "[ . 1 . 2]" 1
152 1 16 VAL H 1 26 TRP H 4.000 . 6.000 4.791 4.411 5.434 . 0 0 "[ . 1 . 2]" 1
153 1 16 VAL MG1 1 95 LYS HB3 4.500 . 6.500 3.356 2.687 4.249 . 0 0 "[ . 1 . 2]" 1
154 1 16 VAL MG1 1 149 PRO HD3 4.000 . 5.500 4.514 3.155 5.288 . 0 0 "[ . 1 . 2]" 1
155 1 16 VAL MG1 1 149 PRO HD2 4.000 . 5.500 4.399 2.850 4.796 . 0 0 "[ . 1 . 2]" 1
156 1 16 VAL MG2 1 149 PRO HD3 4.000 . 5.500 2.129 1.820 3.922 . 0 0 "[ . 1 . 2]" 1
157 1 16 VAL MG2 1 149 PRO HD2 4.000 . 5.500 2.478 1.958 3.312 . 0 0 "[ . 1 . 2]" 1
158 1 17 THR H 1 17 THR HA 3.000 . 3.500 2.932 2.919 2.951 . 0 0 "[ . 1 . 2]" 1
159 1 17 THR H 1 17 THR HB 3.000 . 3.500 2.884 2.715 3.016 . 0 0 "[ . 1 . 2]" 1
160 1 17 THR H 1 17 THR MG 4.000 . 5.500 3.969 3.903 4.011 . 0 0 "[ . 1 . 2]" 1
161 1 17 THR HA 1 18 LYS H 2.500 . 2.700 2.160 2.151 2.167 . 0 0 "[ . 1 . 2]" 1
162 1 17 THR H 1 18 LYS H 3.500 . 5.000 4.015 3.940 4.197 . 0 0 "[ . 1 . 2]" 1
163 1 17 THR HA 1 18 LYS HA 4.000 . 6.000 4.428 4.413 4.434 . 0 0 "[ . 1 . 2]" 1
164 1 17 THR HA 1 18 LYS QB 4.000 . 5.500 4.108 4.054 4.325 . 0 0 "[ . 1 . 2]" 1
165 1 17 THR HB 1 18 LYS H 3.500 . 5.000 4.283 4.227 4.362 . 0 0 "[ . 1 . 2]" 1
166 1 17 THR MG 1 18 LYS H 4.000 . 5.500 3.103 2.970 3.209 . 0 0 "[ . 1 . 2]" 1
167 1 17 THR MG 1 18 LYS HA 4.500 . 6.500 4.486 4.285 4.670 . 0 0 "[ . 1 . 2]" 1
168 1 17 THR HB 1 19 PHE QD 4.500 . 6.500 5.960 5.799 6.263 . 0 0 "[ . 1 . 2]" 1
169 1 17 THR MG 1 19 PHE HA 4.500 . 6.500 4.406 4.226 4.610 . 0 0 "[ . 1 . 2]" 1
170 1 17 THR MG 1 19 PHE HB2 4.000 . 5.500 3.475 3.303 3.773 . 0 0 "[ . 1 . 2]" 1
171 1 17 THR HB 1 23 TRP HA 4.000 . 6.000 5.156 5.066 5.263 . 0 0 "[ . 1 . 2]" 1
172 1 17 THR H 1 23 TRP HB3 3.500 . 5.000 3.606 3.440 3.811 . 0 0 "[ . 1 . 2]" 1
173 1 17 THR HA 1 23 TRP HE3 4.000 . 6.000 3.842 3.023 4.179 . 0 0 "[ . 1 . 2]" 1
174 1 17 THR H 1 23 TRP HA 4.000 . 6.000 4.356 4.167 4.627 . 0 0 "[ . 1 . 2]" 1
175 1 17 THR H 1 24 GLY H 3.000 . 3.500 2.595 2.485 2.765 . 0 0 "[ . 1 . 2]" 1
176 1 17 THR HB 1 24 GLY HA2 4.000 . 6.000 5.488 5.296 5.634 . 0 0 "[ . 1 . 2]" 1
177 1 17 THR HB 1 24 GLY HA3 3.500 . 5.000 4.018 3.825 4.204 . 0 0 "[ . 1 . 2]" 1
178 1 17 THR MG 1 24 GLY H 4.500 . 6.500 4.517 4.338 4.611 . 0 0 "[ . 1 . 2]" 1
179 1 17 THR H 1 24 GLY HA3 4.000 . 6.000 3.950 3.865 4.118 . 0 0 "[ . 1 . 2]" 1
180 1 17 THR HB 1 24 GLY H 3.000 . 3.500 3.532 3.518 3.543 0.043 19 0 "[ . 1 . 2]" 1
181 1 17 THR H 1 25 PHE HA 3.000 . 3.500 3.501 3.403 3.520 0.020 11 0 "[ . 1 . 2]" 1
182 1 17 THR H 1 25 PHE QD 4.500 . 6.500 4.233 3.883 4.919 . 0 0 "[ . 1 . 2]" 1
183 1 17 THR H 1 25 PHE QE 4.500 . 6.500 6.026 5.600 6.506 0.006 2 0 "[ . 1 . 2]" 1
184 1 17 THR H 1 26 TRP H 4.000 . 6.000 5.245 4.855 5.426 . 0 0 "[ . 1 . 2]" 1
185 1 17 THR HB 1 26 TRP HD1 4.000 . 6.000 5.117 4.627 6.005 0.005 2 0 "[ . 1 . 2]" 1
186 1 17 THR HB 1 26 TRP H 4.000 . 6.000 5.943 5.020 6.006 0.006 19 0 "[ . 1 . 2]" 1
187 1 17 THR HB 1 32 PHE QD 4.500 . 6.500 5.064 4.562 5.359 . 0 0 "[ . 1 . 2]" 1
188 1 17 THR MG 1 32 PHE QE 4.500 . 6.500 3.889 3.548 4.007 . 0 0 "[ . 1 . 2]" 1
189 1 18 LYS H 1 18 LYS HA 3.000 . 3.500 2.826 2.822 2.831 . 0 0 "[ . 1 . 2]" 1
190 1 18 LYS H 1 18 LYS QB 2.500 . 2.700 2.235 2.133 2.355 . 0 0 "[ . 1 . 2]" 1
191 1 18 LYS H 1 18 LYS HG2 3.500 . 5.000 4.331 3.489 4.600 . 0 0 "[ . 1 . 2]" 1
192 1 18 LYS H 1 18 LYS HG3 3.500 . 5.000 4.488 3.879 4.586 . 0 0 "[ . 1 . 2]" 1
193 1 18 LYS H 1 18 LYS QD 4.000 . 5.500 4.240 1.915 4.596 . 0 0 "[ . 1 . 2]" 1
194 1 18 LYS H 1 18 LYS QE 4.500 . 6.500 5.395 3.973 6.020 . 0 0 "[ . 1 . 2]" 1
195 1 18 LYS HA 1 19 PHE HB2 4.000 . 6.000 4.734 4.582 4.809 . 0 0 "[ . 1 . 2]" 1
196 1 18 LYS HA 1 19 PHE QD 4.000 . 6.000 5.915 5.838 5.931 . 0 0 "[ . 1 . 2]" 1
197 1 18 LYS QB 1 19 PHE HB2 4.000 . 5.500 5.521 5.500 5.545 0.045 7 0 "[ . 1 . 2]" 1
198 1 18 LYS QB 1 19 PHE HA 4.000 . 5.500 4.501 4.334 4.669 . 0 0 "[ . 1 . 2]" 1
199 1 18 LYS QB 1 19 PHE H 4.000 . 5.500 3.837 3.105 3.894 . 0 0 "[ . 1 . 2]" 1
200 1 18 LYS HG2 1 19 PHE H 3.500 . 5.000 3.410 3.151 4.904 . 0 0 "[ . 1 . 2]" 1
201 1 18 LYS HG3 1 19 PHE H 3.500 . 5.000 4.685 3.728 5.017 0.017 19 0 "[ . 1 . 2]" 1
202 1 18 LYS QD 1 19 PHE H 4.500 . 6.500 3.623 2.597 4.950 . 0 0 "[ . 1 . 2]" 1
203 1 18 LYS QD 1 19 PHE QD 4.500 . 6.500 5.333 4.751 6.502 0.002 6 0 "[ . 1 . 2]" 1
204 1 18 LYS H 1 23 TRP HA 4.000 . 6.000 4.335 4.143 4.571 . 0 0 "[ . 1 . 2]" 1
205 1 18 LYS H 1 23 TRP HB2 4.000 . 6.000 6.052 6.022 6.081 0.081 19 0 "[ . 1 . 2]" 1
206 1 18 LYS HA 1 23 TRP HA 3.000 . 3.500 1.955 1.872 2.082 . 0 0 "[ . 1 . 2]" 1
207 1 18 LYS QB 1 23 TRP HA 4.500 . 6.500 4.022 3.650 4.154 . 0 0 "[ . 1 . 2]" 1
208 1 18 LYS QB 1 23 TRP HB2 4.500 . 6.500 5.246 4.911 5.545 . 0 0 "[ . 1 . 2]" 1
209 1 18 LYS H 1 23 TRP HE3 4.000 . 6.000 3.162 2.810 3.428 . 0 0 "[ . 1 . 2]" 1
210 1 18 LYS HG3 1 23 TRP HA 4.500 . 6.500 4.948 4.015 6.100 . 0 0 "[ . 1 . 2]" 1
211 1 18 LYS HA 1 24 GLY H 3.500 . 5.000 3.433 3.366 3.563 . 0 0 "[ . 1 . 2]" 1
212 1 19 PHE H 1 19 PHE HA 3.000 . 3.500 2.943 2.925 2.947 . 0 0 "[ . 1 . 2]" 1
213 1 19 PHE H 1 19 PHE HB2 3.000 . 3.500 3.201 3.082 3.332 . 0 0 "[ . 1 . 2]" 1
214 1 19 PHE H 1 19 PHE HB3 3.000 . 3.500 2.577 2.511 2.678 . 0 0 "[ . 1 . 2]" 1
215 1 19 PHE H 1 20 GLY H 3.500 . 5.000 4.358 3.947 4.459 . 0 0 "[ . 1 . 2]" 1
216 1 19 PHE HA 1 20 GLY H 2.500 . 2.700 2.192 2.146 2.244 . 0 0 "[ . 1 . 2]" 1
217 1 19 PHE HB2 1 20 GLY H 3.500 . 5.000 4.104 3.975 4.394 . 0 0 "[ . 1 . 2]" 1
218 1 19 PHE HB3 1 20 GLY H 3.500 . 5.000 4.201 4.027 4.478 . 0 0 "[ . 1 . 2]" 1
219 1 19 PHE QD 1 20 GLY H 3.500 . 4.500 2.304 1.996 2.795 . 0 0 "[ . 1 . 2]" 1
220 1 19 PHE HA 1 20 GLY HA2 4.000 . 6.000 4.407 4.386 4.420 . 0 0 "[ . 1 . 2]" 1
221 1 19 PHE H 1 22 GLY H 3.500 . 5.000 3.749 3.332 4.388 . 0 0 "[ . 1 . 2]" 1
222 1 19 PHE HB3 1 22 GLY H 3.500 . 5.000 4.824 4.458 5.003 0.003 15 0 "[ . 1 . 2]" 1
223 1 19 PHE HD2 1 22 GLY H 4.000 . 6.000 5.961 5.217 6.004 0.004 14 0 "[ . 1 . 2]" 1
224 1 19 PHE H 1 22 GLY HA2 4.000 . 6.000 4.933 4.702 5.002 . 0 0 "[ . 1 . 2]" 1
225 1 19 PHE H 1 23 TRP HA 2.500 . 2.700 2.292 1.984 2.645 . 0 0 "[ . 1 . 2]" 1
226 1 19 PHE H 1 23 TRP HB2 4.000 . 6.000 5.220 4.932 5.384 . 0 0 "[ . 1 . 2]" 1
227 1 19 PHE H 1 23 TRP HE3 4.000 . 6.000 5.473 5.146 5.728 . 0 0 "[ . 1 . 2]" 1
228 1 19 PHE HB3 1 23 TRP H 4.000 . 6.000 5.733 5.393 6.000 0.000 11 0 "[ . 1 . 2]" 1
229 1 19 PHE HB2 1 23 TRP HA 3.500 . 5.000 4.907 4.539 5.004 0.004 14 0 "[ . 1 . 2]" 1
230 1 19 PHE HB3 1 23 TRP HA 3.500 . 5.000 4.088 3.686 4.250 . 0 0 "[ . 1 . 2]" 1
231 1 19 PHE H 1 24 GLY H 4.000 . 6.000 3.670 3.560 4.163 . 0 0 "[ . 1 . 2]" 1
232 1 19 PHE HB2 1 24 GLY H 3.500 . 5.000 4.850 4.572 5.002 0.002 2 0 "[ . 1 . 2]" 1
233 1 19 PHE HD2 1 24 GLY H 4.000 . 6.000 6.017 6.006 6.037 0.037 19 0 "[ . 1 . 2]" 1
234 1 19 PHE HD2 1 34 THR HB 4.000 . 6.000 3.966 3.423 4.376 . 0 0 "[ . 1 . 2]" 1
235 1 19 PHE HD2 1 35 THR H 4.000 . 6.000 5.764 5.412 6.004 0.004 11 0 "[ . 1 . 2]" 1
236 1 19 PHE QD 1 39 VAL HA 4.500 . 6.500 4.146 3.442 4.499 . 0 0 "[ . 1 . 2]" 1
237 1 19 PHE QD 1 40 PRO HD2 4.500 . 6.500 3.964 3.606 4.234 . 0 0 "[ . 1 . 2]" 1
238 1 20 GLY H 1 20 GLY HA3 3.000 . 3.500 2.791 2.738 2.869 . 0 0 "[ . 1 . 2]" 1
239 1 20 GLY HA2 1 21 SER H 3.500 . 5.000 3.245 3.150 3.420 . 0 0 "[ . 1 . 2]" 1
240 1 20 GLY HA3 1 21 SER H 3.500 . 5.000 2.147 2.135 2.191 . 0 0 "[ . 1 . 2]" 1
241 1 20 GLY H 1 21 SER H 3.500 . 5.000 4.496 4.295 4.570 . 0 0 "[ . 1 . 2]" 1
242 1 20 GLY HA3 1 21 SER HB2 3.500 . 5.000 4.479 4.282 4.839 . 0 0 "[ . 1 . 2]" 1
243 1 20 GLY H 1 22 GLY H 4.000 . 6.000 4.594 4.431 5.121 . 0 0 "[ . 1 . 2]" 1
244 1 20 GLY HA2 1 22 GLY H 3.500 . 5.000 4.510 4.350 4.851 . 0 0 "[ . 1 . 2]" 1
245 1 20 GLY HA3 1 22 GLY H 3.500 . 5.000 3.623 3.411 3.886 . 0 0 "[ . 1 . 2]" 1
246 1 20 GLY HA3 1 38 VAL HB 3.500 . 5.000 4.532 4.097 4.887 . 0 0 "[ . 1 . 2]" 1
247 1 20 GLY HA2 1 39 VAL HA 4.000 . 6.000 5.573 5.350 5.763 . 0 0 "[ . 1 . 2]" 1
248 1 20 GLY HA3 1 39 VAL HA 4.000 . 6.000 3.974 3.775 4.131 . 0 0 "[ . 1 . 2]" 1
249 1 20 GLY H 1 40 PRO HB3 3.500 . 5.000 4.965 4.586 5.010 0.010 19 0 "[ . 1 . 2]" 1
250 1 20 GLY H 1 40 PRO HG3 3.500 . 5.000 3.143 2.977 3.282 . 0 0 "[ . 1 . 2]" 1
251 1 20 GLY H 1 40 PRO HD2 3.500 . 5.000 5.013 5.005 5.026 0.026 7 0 "[ . 1 . 2]" 1
252 1 20 GLY H 1 40 PRO HD3 3.500 . 5.000 4.162 3.992 4.297 . 0 0 "[ . 1 . 2]" 1
253 1 20 GLY HA3 1 40 PRO HB2 4.000 . 6.000 4.278 4.071 4.518 . 0 0 "[ . 1 . 2]" 1
254 1 20 GLY HA3 1 40 PRO HB3 4.000 . 6.000 3.020 2.744 3.297 . 0 0 "[ . 1 . 2]" 1
255 1 20 GLY HA3 1 40 PRO HD2 3.500 . 5.000 3.531 3.469 3.582 . 0 0 "[ . 1 . 2]" 1
256 1 20 GLY HA3 1 40 PRO HD3 3.000 . 3.500 1.987 1.928 2.110 . 0 0 "[ . 1 . 2]" 1
257 1 20 GLY HA2 1 40 PRO HB3 4.000 . 6.000 2.980 2.503 3.159 . 0 0 "[ . 1 . 2]" 1
258 1 20 GLY HA2 1 40 PRO HG3 4.000 . 6.000 2.141 1.999 2.314 . 0 0 "[ . 1 . 2]" 1
259 1 20 GLY HA2 1 40 PRO HG2 4.000 . 6.000 3.876 3.749 4.044 . 0 0 "[ . 1 . 2]" 1
260 1 21 SER H 1 21 SER HA 3.000 . 3.500 2.937 2.898 2.949 . 0 0 "[ . 1 . 2]" 1
261 1 21 SER H 1 21 SER HB2 3.500 . 5.000 2.478 2.221 2.735 . 0 0 "[ . 1 . 2]" 1
262 1 21 SER H 1 22 GLY H 3.000 . 3.500 2.625 1.946 2.925 . 0 0 "[ . 1 . 2]" 1
263 1 21 SER HA 1 22 GLY H 3.500 . 5.000 2.999 2.823 3.430 . 0 0 "[ . 1 . 2]" 1
264 1 21 SER HB2 1 22 GLY H 4.000 . 6.000 4.041 3.251 4.507 . 0 0 "[ . 1 . 2]" 1
265 1 21 SER HB3 1 22 GLY H 4.000 . 6.000 4.308 3.782 4.551 . 0 0 "[ . 1 . 2]" 1
266 1 21 SER H 1 38 VAL HA 3.500 . 5.000 3.685 3.295 4.272 . 0 0 "[ . 1 . 2]" 1
267 1 21 SER H 1 38 VAL HB 3.000 . 3.500 3.100 2.580 3.510 0.010 1 0 "[ . 1 . 2]" 1
268 1 21 SER HB2 1 38 VAL HB 3.500 . 5.000 3.661 2.417 5.002 0.002 15 0 "[ . 1 . 2]" 1
269 1 21 SER HB2 1 38 VAL MG1 4.500 . 6.500 3.229 1.979 5.103 . 0 0 "[ . 1 . 2]" 1
270 1 21 SER HB2 1 38 VAL MG2 4.500 . 6.500 4.886 4.000 6.052 . 0 0 "[ . 1 . 2]" 1
271 1 21 SER H 1 38 VAL MG1 4.000 . 5.500 3.988 3.440 4.565 . 0 0 "[ . 1 . 2]" 1
272 1 21 SER H 1 38 VAL MG2 4.000 . 5.500 4.378 3.996 4.813 . 0 0 "[ . 1 . 2]" 1
273 1 21 SER HB2 1 38 VAL HA 3.500 . 5.000 2.958 2.532 4.105 . 0 0 "[ . 1 . 2]" 1
274 1 21 SER HB3 1 38 VAL HA 3.500 . 5.000 3.849 2.708 4.390 . 0 0 "[ . 1 . 2]" 1
275 1 21 SER H 1 39 VAL HA 4.000 . 6.000 4.414 4.180 4.628 . 0 0 "[ . 1 . 2]" 1
276 1 21 SER H 1 40 PRO HD2 3.500 . 5.000 4.947 4.807 5.010 0.010 14 0 "[ . 1 . 2]" 1
277 1 21 SER H 1 40 PRO HD3 3.500 . 5.000 3.187 3.045 3.312 . 0 0 "[ . 1 . 2]" 1
278 1 22 GLY H 1 22 GLY HA2 3.000 . 3.500 2.893 2.858 2.955 . 0 0 "[ . 1 . 2]" 1
279 1 22 GLY H 1 22 GLY HA3 3.000 . 3.500 2.677 2.463 2.748 . 0 0 "[ . 1 . 2]" 1
280 1 22 GLY H 1 23 TRP H 3.500 . 5.000 4.358 4.344 4.445 . 0 0 "[ . 1 . 2]" 1
281 1 22 GLY H 1 23 TRP HA 4.000 . 6.000 4.703 4.620 4.977 . 0 0 "[ . 1 . 2]" 1
282 1 22 GLY HA2 1 23 TRP H 2.500 . 2.700 2.663 2.300 2.693 . 0 0 "[ . 1 . 2]" 1
283 1 22 GLY HA3 1 23 TRP H 3.000 . 3.500 2.467 2.435 2.837 . 0 0 "[ . 1 . 2]" 1
284 1 22 GLY H 1 23 TRP HD1 4.000 . 6.000 4.610 4.297 5.461 . 0 0 "[ . 1 . 2]" 1
285 1 22 GLY HA2 1 23 TRP HE1 3.500 . 5.000 4.413 4.155 4.909 . 0 0 "[ . 1 . 2]" 1
286 1 22 GLY HA2 1 23 TRP HA 3.500 . 5.000 4.469 4.326 4.537 . 0 0 "[ . 1 . 2]" 1
287 1 22 GLY H 1 38 VAL HB 3.000 . 3.500 2.850 1.992 3.315 . 0 0 "[ . 1 . 2]" 1
288 1 22 GLY H 1 38 VAL MG1 4.000 . 5.500 3.658 2.905 4.049 . 0 0 "[ . 1 . 2]" 1
289 1 22 GLY H 1 38 VAL MG2 4.000 . 5.500 3.950 3.334 4.682 . 0 0 "[ . 1 . 2]" 1
290 1 22 GLY HA2 1 38 VAL MG2 4.000 . 5.500 3.844 3.063 4.920 . 0 0 "[ . 1 . 2]" 1
291 1 22 GLY HA2 1 38 VAL MG1 4.500 . 6.500 2.851 2.244 3.413 . 0 0 "[ . 1 . 2]" 1
292 1 22 GLY HA2 1 38 VAL HB 4.000 . 6.000 3.600 3.145 4.101 . 0 0 "[ . 1 . 2]" 1
293 1 22 GLY HA3 1 38 VAL HB 3.500 . 5.000 2.238 1.971 3.079 . 0 0 "[ . 1 . 2]" 1
294 1 22 GLY HA3 1 38 VAL MG1 4.000 . 5.500 2.229 1.908 3.107 . 0 0 "[ . 1 . 2]" 1
295 1 22 GLY HA3 1 38 VAL MG2 4.000 . 5.500 2.430 1.930 3.458 . 0 0 "[ . 1 . 2]" 1
296 1 22 GLY H 1 40 PRO HD3 4.000 . 6.000 4.841 4.072 5.159 . 0 0 "[ . 1 . 2]" 1
297 1 22 GLY HA2 1 145 ASP HA 4.000 . 6.000 4.308 3.418 4.696 . 0 0 "[ . 1 . 2]" 1
298 1 22 GLY HA3 1 145 ASP HA 4.000 . 6.000 5.860 5.110 6.023 0.023 18 0 "[ . 1 . 2]" 1
299 1 22 GLY HA2 1 146 CYS H 4.000 . 6.000 2.858 1.974 5.151 . 0 0 "[ . 1 . 2]" 1
300 1 22 GLY HA2 1 147 GLY HA3 4.000 . 6.000 4.497 3.691 5.188 . 0 0 "[ . 1 . 2]" 1
301 1 22 GLY HA2 1 147 GLY H 4.000 . 6.000 5.094 4.831 5.468 . 0 0 "[ . 1 . 2]" 1
302 1 23 TRP H 1 23 TRP HA 3.000 . 3.500 2.939 2.892 2.948 . 0 0 "[ . 1 . 2]" 1
303 1 23 TRP H 1 23 TRP HB2 3.500 . 5.000 2.639 2.415 2.762 . 0 0 "[ . 1 . 2]" 1
304 1 23 TRP H 1 23 TRP HB3 3.500 . 5.000 3.775 3.606 3.845 . 0 0 "[ . 1 . 2]" 1
305 1 23 TRP H 1 23 TRP HD1 4.000 . 6.000 2.745 2.189 3.147 . 0 0 "[ . 1 . 2]" 1
306 1 23 TRP H 1 23 TRP HE3 4.000 . 6.000 5.901 5.582 5.997 . 0 0 "[ . 1 . 2]" 1
307 1 23 TRP HA 1 24 GLY H 2.500 . 2.700 2.289 2.217 2.436 . 0 0 "[ . 1 . 2]" 1
308 1 23 TRP H 1 24 GLY H 4.000 . 6.000 4.446 4.350 4.593 . 0 0 "[ . 1 . 2]" 1
309 1 23 TRP HB2 1 24 GLY H 3.500 . 5.000 3.917 3.620 4.091 . 0 0 "[ . 1 . 2]" 1
310 1 23 TRP HB3 1 24 GLY H 3.000 . 3.500 2.801 2.410 3.076 . 0 0 "[ . 1 . 2]" 1
311 1 23 TRP HD1 1 24 GLY H 4.000 . 6.000 5.643 5.487 5.853 . 0 0 "[ . 1 . 2]" 1
312 1 23 TRP HA 1 24 GLY HA3 3.500 . 5.000 4.346 4.332 4.353 . 0 0 "[ . 1 . 2]" 1
313 1 23 TRP HA 1 24 GLY HA2 3.500 . 5.000 4.413 4.400 4.453 . 0 0 "[ . 1 . 2]" 1
314 1 23 TRP H 1 38 VAL MG1 4.000 . 5.500 3.821 2.833 4.955 . 0 0 "[ . 1 . 2]" 1
315 1 23 TRP H 1 38 VAL MG2 4.000 . 5.500 3.571 3.140 4.161 . 0 0 "[ . 1 . 2]" 1
316 1 23 TRP HD1 1 145 ASP H 4.000 . 6.000 5.029 4.526 6.006 0.006 4 0 "[ . 1 . 2]" 1
317 1 23 TRP HE1 1 145 ASP HB3 4.000 . 6.000 4.989 4.135 5.775 . 0 0 "[ . 1 . 2]" 1
318 1 23 TRP HE1 1 145 ASP HB2 4.000 . 6.000 4.388 3.409 4.929 . 0 0 "[ . 1 . 2]" 1
319 1 23 TRP HD1 1 146 CYS H 4.000 . 6.000 2.787 2.286 4.459 . 0 0 "[ . 1 . 2]" 1
320 1 23 TRP H 1 147 GLY HA3 3.500 . 5.000 2.647 1.997 3.055 . 0 0 "[ . 1 . 2]" 1
321 1 23 TRP HA 1 147 GLY HA3 4.000 . 6.000 5.152 4.327 5.691 . 0 0 "[ . 1 . 2]" 1
322 1 23 TRP HB2 1 147 GLY HA3 3.500 . 5.000 4.014 3.171 4.758 . 0 0 "[ . 1 . 2]" 1
323 1 23 TRP HB2 1 148 ALA HA 4.000 . 6.000 2.425 1.966 3.078 . 0 0 "[ . 1 . 2]" 1
324 1 23 TRP HB3 1 148 ALA HA 4.000 . 6.000 3.288 2.852 4.036 . 0 0 "[ . 1 . 2]" 1
325 1 23 TRP HD1 1 148 ALA HA 4.500 . 6.500 4.943 4.481 5.344 . 0 0 "[ . 1 . 2]" 1
326 1 23 TRP HD1 1 148 ALA H 3.500 . 5.000 4.591 4.199 5.005 0.005 14 0 "[ . 1 . 2]" 1
327 1 23 TRP HB3 1 148 ALA H 3.500 . 5.000 5.049 5.015 5.065 0.065 19 0 "[ . 1 . 2]" 1
328 1 23 TRP HB2 1 148 ALA H 3.500 . 5.000 3.416 3.286 3.618 . 0 0 "[ . 1 . 2]" 1
329 1 23 TRP HB3 1 148 ALA MB 4.000 . 5.500 4.380 3.892 5.060 . 0 0 "[ . 1 . 2]" 1
330 1 23 TRP HB2 1 148 ALA MB 4.000 . 5.500 3.468 2.841 3.997 . 0 0 "[ . 1 . 2]" 1
331 1 23 TRP HD1 1 148 ALA MB 4.000 . 5.500 4.681 4.014 5.183 . 0 0 "[ . 1 . 2]" 1
332 1 23 TRP H 1 148 ALA H 3.500 . 5.000 4.035 3.256 4.303 . 0 0 "[ . 1 . 2]" 1
333 1 24 GLY H 1 24 GLY HA2 3.000 . 3.500 2.955 2.951 2.957 . 0 0 "[ . 1 . 2]" 1
334 1 24 GLY H 1 24 GLY HA3 3.000 . 3.500 2.486 2.466 2.542 . 0 0 "[ . 1 . 2]" 1
335 1 24 GLY HA2 1 25 PHE H 3.000 . 3.500 2.766 2.605 2.840 . 0 0 "[ . 1 . 2]" 1
336 1 24 GLY HA3 1 25 PHE H 3.000 . 3.500 2.385 2.328 2.519 . 0 0 "[ . 1 . 2]" 1
337 1 24 GLY H 1 25 PHE HA 3.500 . 5.000 4.861 4.790 4.922 . 0 0 "[ . 1 . 2]" 1
338 1 24 GLY HA2 1 25 PHE HB3 3.500 . 5.000 4.918 4.699 5.012 0.012 1 0 "[ . 1 . 2]" 1
339 1 24 GLY HA2 1 25 PHE HB2 3.500 . 5.000 3.981 3.921 4.086 . 0 0 "[ . 1 . 2]" 1
340 1 24 GLY H 1 32 PHE QE 4.500 . 6.500 4.133 3.324 5.056 . 0 0 "[ . 1 . 2]" 1
341 1 24 GLY HA2 1 34 THR HB 3.500 . 5.000 3.630 3.248 4.457 . 0 0 "[ . 1 . 2]" 1
342 1 24 GLY H 1 34 THR HA 4.000 . 6.000 5.405 5.026 5.974 . 0 0 "[ . 1 . 2]" 1
343 1 24 GLY H 1 34 THR HB 4.000 . 6.000 5.070 4.813 5.715 . 0 0 "[ . 1 . 2]" 1
344 1 24 GLY HA3 1 34 THR HB 3.500 . 5.000 3.001 2.689 3.715 . 0 0 "[ . 1 . 2]" 1
345 1 24 GLY HA2 1 34 THR HA 4.000 . 6.000 2.874 2.565 3.231 . 0 0 "[ . 1 . 2]" 1
346 1 24 GLY HA2 1 148 ALA HA 4.000 . 6.000 5.319 4.578 6.004 0.004 11 0 "[ . 1 . 2]" 1
347 1 24 GLY HA2 1 163 VAL MG1 4.500 . 6.500 2.831 2.009 3.776 . 0 0 "[ . 1 . 2]" 1
348 1 25 PHE H 1 25 PHE HA 3.000 . 3.500 2.903 2.900 2.919 . 0 0 "[ . 1 . 2]" 1
349 1 25 PHE H 1 25 PHE HB2 3.000 . 3.500 3.104 3.003 3.232 . 0 0 "[ . 1 . 2]" 1
350 1 25 PHE H 1 25 PHE HB3 3.000 . 3.500 3.116 2.959 3.179 . 0 0 "[ . 1 . 2]" 1
351 1 25 PHE HA 1 26 TRP H 2.500 . 2.700 2.262 2.156 2.324 . 0 0 "[ . 1 . 2]" 1
352 1 25 PHE HB2 1 26 TRP H 3.500 . 5.000 4.162 4.012 4.320 . 0 0 "[ . 1 . 2]" 1
353 1 25 PHE HB3 1 26 TRP H 3.500 . 5.000 3.611 3.433 4.091 . 0 0 "[ . 1 . 2]" 1
354 1 25 PHE QD 1 26 TRP H 4.500 . 6.500 3.224 2.598 3.611 . 0 0 "[ . 1 . 2]" 1
355 1 25 PHE HB3 1 27 VAL H 4.000 . 6.000 4.566 4.183 4.757 . 0 0 "[ . 1 . 2]" 1
356 1 25 PHE QE 1 27 VAL HA 4.500 . 6.500 4.638 3.378 5.334 . 0 0 "[ . 1 . 2]" 1
357 1 25 PHE QD 1 27 VAL HA 3.500 . 5.000 3.800 3.146 4.245 . 0 0 "[ . 1 . 2]" 1
358 1 25 PHE H 1 32 PHE HA 3.500 . 5.000 4.949 4.710 5.014 0.014 6 0 "[ . 1 . 2]" 1
359 1 25 PHE H 1 32 PHE QD 4.000 . 6.000 4.105 3.802 4.477 . 0 0 "[ . 1 . 2]" 1
360 1 25 PHE H 1 32 PHE QE 4.000 . 6.000 3.283 2.919 3.845 . 0 0 "[ . 1 . 2]" 1
361 1 25 PHE H 1 33 ILE H 3.000 . 3.500 3.079 2.775 3.397 . 0 0 "[ . 1 . 2]" 1
362 1 25 PHE H 1 33 ILE HA 4.000 . 6.000 5.034 4.811 5.287 . 0 0 "[ . 1 . 2]" 1
363 1 25 PHE H 1 33 ILE HG12 3.500 . 5.000 3.627 2.847 4.596 . 0 0 "[ . 1 . 2]" 1
364 1 25 PHE H 1 33 ILE HG13 3.500 . 5.000 2.542 1.999 3.332 . 0 0 "[ . 1 . 2]" 1
365 1 25 PHE HB3 1 33 ILE H 3.500 . 5.000 4.409 4.040 5.003 0.003 16 0 "[ . 1 . 2]" 1
366 1 25 PHE QD 1 33 ILE MD 4.000 . 5.500 2.933 1.995 4.207 . 0 0 "[ . 1 . 2]" 1
367 1 25 PHE HE2 1 33 ILE MD 4.500 . 6.500 5.081 4.092 6.734 0.234 17 0 "[ . 1 . 2]" 1
368 1 25 PHE H 1 34 THR HB 3.500 . 5.000 4.112 3.709 4.726 . 0 0 "[ . 1 . 2]" 1
369 1 25 PHE QD 1 160 VAL HB 4.000 . 6.000 4.000 3.246 4.969 . 0 0 "[ . 1 . 2]" 1
370 1 26 TRP H 1 26 TRP HB2 3.500 . 5.000 2.270 2.233 2.335 . 0 0 "[ . 1 . 2]" 1
371 1 26 TRP HA 1 27 VAL H 2.500 . 2.700 2.196 2.163 2.251 . 0 0 "[ . 1 . 2]" 1
372 1 26 TRP H 1 27 VAL H 3.500 . 5.000 4.207 4.057 4.275 . 0 0 "[ . 1 . 2]" 1
373 1 26 TRP HA 1 27 VAL HA 4.000 . 6.000 4.450 4.418 4.508 . 0 0 "[ . 1 . 2]" 1
374 1 26 TRP HB2 1 27 VAL H 3.500 . 5.000 4.559 4.497 4.600 . 0 0 "[ . 1 . 2]" 1
375 1 26 TRP HB3 1 27 VAL H 3.500 . 5.000 3.884 3.749 4.035 . 0 0 "[ . 1 . 2]" 1
376 1 26 TRP HA 1 28 SER H 3.000 . 3.500 3.426 3.362 3.499 . 0 0 "[ . 1 . 2]" 1
377 1 26 TRP HB2 1 28 SER H 3.500 . 5.000 5.005 5.001 5.011 0.011 18 0 "[ . 1 . 2]" 1
378 1 26 TRP HA 1 31 VAL H 4.000 . 6.000 5.748 5.484 5.968 . 0 0 "[ . 1 . 2]" 1
379 1 26 TRP HA 1 32 PHE HA 3.000 . 3.500 2.934 2.736 3.179 . 0 0 "[ . 1 . 2]" 1
380 1 26 TRP HA 1 32 PHE HB2 3.500 . 5.000 4.316 3.927 4.685 . 0 0 "[ . 1 . 2]" 1
381 1 26 TRP HA 1 32 PHE QD 3.500 . 5.000 1.983 1.960 1.996 . 0 0 "[ . 1 . 2]" 1
382 1 26 TRP HA 1 33 ILE H 3.500 . 5.000 3.903 3.578 4.296 . 0 0 "[ . 1 . 2]" 1
383 1 26 TRP HA 1 33 ILE MG 4.500 . 6.500 5.257 4.881 5.544 . 0 0 "[ . 1 . 2]" 1
384 1 26 TRP H 1 75 LEU MD1 4.500 . 6.500 4.595 3.994 4.997 . 0 0 "[ . 1 . 2]" 1
385 1 27 VAL H 1 27 VAL HA 3.000 . 3.500 2.863 2.793 2.890 . 0 0 "[ . 1 . 2]" 1
386 1 27 VAL H 1 27 VAL HB 3.000 . 3.500 3.249 2.613 3.582 0.082 19 0 "[ . 1 . 2]" 1
387 1 27 VAL H 1 27 VAL MG1 3.500 . 4.500 2.958 1.956 3.785 . 0 0 "[ . 1 . 2]" 1
388 1 27 VAL H 1 27 VAL MG2 4.000 . 5.500 2.079 1.894 3.782 . 0 0 "[ . 1 . 2]" 1
389 1 27 VAL HA 1 27 VAL HB 3.000 . 3.500 2.682 2.462 3.020 . 0 0 "[ . 1 . 2]" 1
390 1 27 VAL HA 1 27 VAL MG1 3.500 . 4.000 2.276 2.118 3.203 . 0 0 "[ . 1 . 2]" 1
391 1 27 VAL HA 1 27 VAL MG2 3.500 . 4.000 2.903 2.258 3.194 . 0 0 "[ . 1 . 2]" 1
392 1 27 VAL H 1 28 SER H 2.500 . 2.700 2.437 2.322 2.686 . 0 0 "[ . 1 . 2]" 1
393 1 27 VAL HA 1 28 SER H 3.500 . 5.000 3.466 3.444 3.499 . 0 0 "[ . 1 . 2]" 1
394 1 27 VAL HB 1 28 SER H 4.000 . 6.000 3.552 2.815 4.070 . 0 0 "[ . 1 . 2]" 1
395 1 27 VAL MG1 1 28 SER H 4.000 . 5.500 3.969 2.323 4.196 . 0 0 "[ . 1 . 2]" 1
396 1 27 VAL H 1 31 VAL HB 3.500 . 5.000 4.434 4.014 4.592 . 0 0 "[ . 1 . 2]" 1
397 1 27 VAL HB 1 31 VAL HB 3.500 . 5.000 3.533 2.051 4.830 . 0 0 "[ . 1 . 2]" 1
398 1 27 VAL MG1 1 31 VAL MG1 4.500 . 6.500 3.275 1.791 3.756 0.009 2 0 "[ . 1 . 2]" 1
399 1 27 VAL MG2 1 31 VAL MG1 4.500 . 6.500 2.154 1.788 3.277 0.012 13 0 "[ . 1 . 2]" 1
400 1 27 VAL H 1 32 PHE HA 3.500 . 5.000 2.429 2.025 2.874 . 0 0 "[ . 1 . 2]" 1
401 1 27 VAL MG1 1 32 PHE HA 3.500 . 5.000 4.081 2.871 5.001 0.001 6 0 "[ . 1 . 2]" 1
402 1 27 VAL H 1 32 PHE QD 4.500 . 6.500 3.396 3.019 3.597 . 0 0 "[ . 1 . 2]" 1
403 1 27 VAL H 1 33 ILE H 3.500 . 5.000 3.602 3.351 3.927 . 0 0 "[ . 1 . 2]" 1
404 1 27 VAL H 1 33 ILE MG 4.000 . 5.500 3.799 3.487 4.099 . 0 0 "[ . 1 . 2]" 1
405 1 27 VAL MG2 1 33 ILE H 4.000 . 5.500 3.218 2.785 5.504 0.004 2 0 "[ . 1 . 2]" 1
406 1 27 VAL MG2 1 33 ILE MD 4.000 . 5.500 3.453 1.847 4.477 . 0 0 "[ . 1 . 2]" 1
407 1 27 VAL HA 1 78 MET H 3.500 . 5.000 3.859 3.039 4.789 . 0 0 "[ . 1 . 2]" 1
408 1 27 VAL HA 1 78 MET QG 4.500 . 6.500 4.819 3.961 6.503 0.003 13 0 "[ . 1 . 2]" 1
409 1 27 VAL MG1 1 78 MET H 4.000 . 5.500 4.710 3.136 5.502 0.002 3 0 "[ . 1 . 2]" 1
410 1 27 VAL MG1 1 80 LEU MD2 4.500 . 6.500 3.804 1.936 5.586 . 0 0 "[ . 1 . 2]" 1
411 1 27 VAL HA 1 160 VAL MG1 4.500 . 6.500 4.667 3.865 6.161 . 0 0 "[ . 1 . 2]" 1
412 1 27 VAL MG1 1 80 LEU H 4.500 . 6.500 5.306 4.038 6.502 0.002 2 0 "[ . 1 . 2]" 1
413 1 28 SER H 1 28 SER HA 3.000 . 3.500 2.847 2.812 2.892 . 0 0 "[ . 1 . 2]" 1
414 1 28 SER H 1 28 SER HB2 3.500 . 5.000 3.343 2.973 4.074 . 0 0 "[ . 1 . 2]" 1
415 1 28 SER H 1 28 SER HB3 3.500 . 5.000 3.667 3.150 4.040 . 0 0 "[ . 1 . 2]" 1
416 1 28 SER HA 1 29 PRO QD 3.000 . 3.500 2.173 1.993 2.278 . 0 0 "[ . 1 . 2]" 1
417 1 28 SER HA 1 29 PRO HA 3.500 . 5.000 4.395 4.390 4.406 . 0 0 "[ . 1 . 2]" 1
418 1 28 SER H 1 30 THR H 3.500 . 5.000 4.581 4.434 4.925 . 0 0 "[ . 1 . 2]" 1
419 1 28 SER HB3 1 30 THR H 3.500 . 5.000 3.098 2.245 4.284 . 0 0 "[ . 1 . 2]" 1
420 1 28 SER H 1 31 VAL H 3.000 . 3.500 3.320 3.180 3.451 . 0 0 "[ . 1 . 2]" 1
421 1 28 SER H 1 31 VAL HA 4.000 . 6.000 4.971 4.677 5.207 . 0 0 "[ . 1 . 2]" 1
422 1 28 SER H 1 31 VAL HB 3.000 . 3.500 3.187 2.778 3.502 0.002 19 0 "[ . 1 . 2]" 1
423 1 28 SER H 1 31 VAL MG2 4.000 . 5.500 4.528 4.161 4.749 . 0 0 "[ . 1 . 2]" 1
424 1 28 SER HB3 1 31 VAL H 3.500 . 5.000 3.288 2.381 4.143 . 0 0 "[ . 1 . 2]" 1
425 1 28 SER HB2 1 31 VAL H 3.500 . 5.000 3.119 2.089 3.908 . 0 0 "[ . 1 . 2]" 1
426 1 28 SER H 1 77 GLY HA2 4.000 . 5.500 5.238 4.110 5.505 0.005 11 0 "[ . 1 . 2]" 1
427 1 28 SER HA 1 77 GLY HA3 3.500 . 5.000 4.183 2.651 4.826 . 0 0 "[ . 1 . 2]" 1
428 1 28 SER HA 1 77 GLY HA2 3.000 . 3.500 2.996 2.426 3.405 . 0 0 "[ . 1 . 2]" 1
429 1 28 SER HA 1 75 LEU MD1 4.000 . 5.500 4.122 2.623 5.256 . 0 0 "[ . 1 . 2]" 1
430 1 28 SER HA 1 78 MET H 4.000 . 6.000 4.133 3.553 5.268 . 0 0 "[ . 1 . 2]" 1
431 1 28 SER HB3 1 78 MET H 4.000 . 6.000 5.704 4.640 6.003 0.003 4 0 "[ . 1 . 2]" 1
432 1 29 PRO HA 1 29 PRO QG 3.500 . 4.500 3.246 2.825 3.498 . 0 0 "[ . 1 . 2]" 1
433 1 29 PRO HA 1 29 PRO QD 4.000 . 6.000 3.290 3.170 3.397 . 0 0 "[ . 1 . 2]" 1
434 1 29 PRO HA 1 30 THR H 3.500 . 5.000 3.488 3.433 3.574 . 0 0 "[ . 1 . 2]" 1
435 1 29 PRO QB 1 30 THR H 4.000 . 5.500 3.121 2.315 3.499 . 0 0 "[ . 1 . 2]" 1
436 1 29 PRO QG 1 30 THR H 4.000 . 5.500 3.259 2.647 4.009 . 0 0 "[ . 1 . 2]" 1
437 1 29 PRO QD 1 30 THR H 4.000 . 5.500 2.916 2.724 3.084 . 0 0 "[ . 1 . 2]" 1
438 1 29 PRO QG 1 30 THR MG 4.000 . 5.500 4.562 2.500 5.514 0.014 13 0 "[ . 1 . 2]" 1
439 1 29 PRO HA 1 30 THR HA 3.500 . 5.000 4.533 4.511 4.559 . 0 0 "[ . 1 . 2]" 1
440 1 29 PRO HA 1 31 VAL H 4.000 . 6.000 4.292 4.213 4.358 . 0 0 "[ . 1 . 2]" 1
441 1 29 PRO HA 1 70 LYS HA 3.500 . 5.000 4.572 3.993 4.921 . 0 0 "[ . 1 . 2]" 1
442 1 29 PRO HA 1 70 LYS QB 4.500 . 6.500 4.345 3.582 5.864 . 0 0 "[ . 1 . 2]" 1
443 1 29 PRO HA 1 71 MET QB 4.500 . 6.500 4.842 3.865 6.400 . 0 0 "[ . 1 . 2]" 1
444 1 29 PRO HA 1 72 ARG H 3.000 . 3.500 2.885 2.498 3.351 . 0 0 "[ . 1 . 2]" 1
445 1 29 PRO QB 1 72 ARG H 3.500 . 4.500 3.119 2.248 3.825 . 0 0 "[ . 1 . 2]" 1
446 1 29 PRO HA 1 72 ARG QG 4.500 . 6.500 4.371 2.704 5.629 . 0 0 "[ . 1 . 2]" 1
447 1 29 PRO QB 1 72 ARG HA 4.500 . 6.500 3.838 1.938 4.991 . 0 0 "[ . 1 . 2]" 1
448 1 29 PRO HA 1 72 ARG HA 3.500 . 5.000 3.955 2.616 4.831 . 0 0 "[ . 1 . 2]" 1
449 1 29 PRO QB 1 75 LEU H 4.000 . 5.500 4.209 3.534 5.504 0.004 1 0 "[ . 1 . 2]" 1
450 1 29 PRO QG 1 75 LEU H 4.000 . 5.500 4.723 2.830 5.503 0.003 19 0 "[ . 1 . 2]" 1
451 1 29 PRO QD 1 75 LEU HG 4.000 . 6.000 5.640 4.673 6.004 0.004 11 0 "[ . 1 . 2]" 1
452 1 29 PRO QD 1 75 LEU MD1 4.500 . 6.500 4.061 2.967 5.164 . 0 0 "[ . 1 . 2]" 1
453 1 29 PRO HA 1 75 LEU MD1 4.500 . 6.500 3.075 1.962 4.178 . 0 0 "[ . 1 . 2]" 1
454 1 29 PRO QD 1 77 GLY HA3 4.000 . 5.500 4.046 3.203 4.637 . 0 0 "[ . 1 . 2]" 1
455 1 29 PRO QD 1 77 GLY HA2 4.000 . 5.500 3.502 2.868 4.344 . 0 0 "[ . 1 . 2]" 1
456 1 30 THR H 1 30 THR HA 3.000 . 3.500 2.946 2.941 2.949 . 0 0 "[ . 1 . 2]" 1
457 1 30 THR H 1 30 THR HB 3.500 . 5.000 3.301 2.942 3.808 . 0 0 "[ . 1 . 2]" 1
458 1 30 THR H 1 30 THR MG 4.000 . 5.500 3.507 1.977 3.933 . 0 0 "[ . 1 . 2]" 1
459 1 30 THR H 1 31 VAL H 2.500 . 2.700 2.091 1.947 2.351 . 0 0 "[ . 1 . 2]" 1
460 1 30 THR H 1 31 VAL HA 4.000 . 6.000 4.678 4.620 4.776 . 0 0 "[ . 1 . 2]" 1
461 1 30 THR HA 1 31 VAL H 3.000 . 3.500 3.220 3.125 3.300 . 0 0 "[ . 1 . 2]" 1
462 1 30 THR HA 1 31 VAL HA 4.000 . 6.000 4.476 4.455 4.508 . 0 0 "[ . 1 . 2]" 1
463 1 30 THR HB 1 31 VAL H 3.500 . 5.000 3.979 3.601 4.593 . 0 0 "[ . 1 . 2]" 1
464 1 30 THR MG 1 31 VAL H 4.500 . 6.500 4.333 3.249 4.519 . 0 0 "[ . 1 . 2]" 1
465 1 30 THR H 1 31 VAL HB 3.500 . 5.000 4.158 4.017 4.334 . 0 0 "[ . 1 . 2]" 1
466 1 30 THR H 1 31 VAL MG2 4.000 . 5.500 3.233 2.989 3.481 . 0 0 "[ . 1 . 2]" 1
467 1 30 THR HB 1 66 ARG QG 4.500 . 6.500 5.305 3.916 6.503 0.003 4 0 "[ . 1 . 2]" 1
468 1 30 THR HA 1 67 PHE H 3.500 . 5.000 4.318 3.796 4.620 . 0 0 "[ . 1 . 2]" 1
469 1 30 THR HB 1 67 PHE H 3.500 . 5.000 4.582 4.091 5.015 0.015 1 0 "[ . 1 . 2]" 1
470 1 30 THR MG 1 67 PHE H 4.000 . 5.500 4.197 3.646 5.501 0.001 17 0 "[ . 1 . 2]" 1
471 1 30 THR MG 1 67 PHE HB3 4.000 . 5.500 3.897 2.962 5.505 0.005 1 0 "[ . 1 . 2]" 1
472 1 30 THR MG 1 68 SER HA 4.500 . 6.500 4.022 3.319 5.639 . 0 0 "[ . 1 . 2]" 1
473 1 30 THR MG 1 69 LYS HA 4.500 . 6.500 3.290 2.665 4.847 . 0 0 "[ . 1 . 2]" 1
474 1 30 THR HA 1 70 LYS H 3.500 . 5.000 4.996 4.814 5.033 0.033 1 0 "[ . 1 . 2]" 1
475 1 30 THR HA 1 70 LYS HA 3.500 . 5.000 2.584 2.314 2.923 . 0 0 "[ . 1 . 2]" 1
476 1 30 THR HA 1 70 LYS HG2 3.500 . 5.000 4.364 3.111 5.007 0.007 8 0 "[ . 1 . 2]" 1
477 1 30 THR MG 1 70 LYS HA 4.000 . 5.500 2.321 1.871 3.498 . 0 0 "[ . 1 . 2]" 1
478 1 30 THR MG 1 70 LYS H 3.500 . 4.500 3.129 2.525 4.506 0.006 18 0 "[ . 1 . 2]" 1
479 1 30 THR MG 1 70 LYS QB 4.000 . 5.500 2.869 1.917 3.704 . 0 0 "[ . 1 . 2]" 1
480 1 30 THR H 1 70 LYS HA 4.000 . 6.000 4.289 3.750 4.657 . 0 0 "[ . 1 . 2]" 1
481 1 30 THR HA 1 71 MET H 3.500 . 5.000 3.461 2.890 3.955 . 0 0 "[ . 1 . 2]" 1
482 1 30 THR MG 1 71 MET H 4.000 . 5.500 3.990 3.480 5.114 . 0 0 "[ . 1 . 2]" 1
483 1 30 THR MG 1 67 PHE HB2 4.000 . 5.500 3.399 2.699 4.475 . 0 0 "[ . 1 . 2]" 1
484 1 31 VAL H 1 31 VAL HA 3.000 . 3.500 2.942 2.936 2.948 . 0 0 "[ . 1 . 2]" 1
485 1 31 VAL H 1 31 VAL HB 2.500 . 2.700 2.740 2.715 2.764 0.064 7 0 "[ . 1 . 2]" 1
486 1 31 VAL H 1 31 VAL MG1 4.500 . 6.500 3.896 3.884 3.906 . 0 0 "[ . 1 . 2]" 1
487 1 31 VAL H 1 31 VAL MG2 4.000 . 5.500 2.760 2.619 2.918 . 0 0 "[ . 1 . 2]" 1
488 1 31 VAL HA 1 32 PHE H 2.500 . 2.700 2.215 2.157 2.226 . 0 0 "[ . 1 . 2]" 1
489 1 31 VAL H 1 32 PHE H 3.500 . 5.000 4.402 4.317 4.461 . 0 0 "[ . 1 . 2]" 1
490 1 31 VAL H 1 32 PHE QD 4.000 . 5.500 5.510 5.504 5.517 0.017 2 0 "[ . 1 . 2]" 1
491 1 31 VAL H 1 32 PHE HB2 3.500 . 5.000 4.991 4.872 5.017 0.017 7 0 "[ . 1 . 2]" 1
492 1 31 VAL HB 1 32 PHE H 3.500 . 5.000 3.934 3.875 4.106 . 0 0 "[ . 1 . 2]" 1
493 1 31 VAL MG1 1 32 PHE H 4.000 . 5.500 2.250 2.155 2.548 . 0 0 "[ . 1 . 2]" 1
494 1 31 VAL MG2 1 32 PHE H 4.000 . 5.500 3.978 3.931 4.082 . 0 0 "[ . 1 . 2]" 1
495 1 31 VAL MG1 1 33 ILE MG 4.500 . 6.500 3.087 2.747 3.413 . 0 0 "[ . 1 . 2]" 1
496 1 31 VAL MG1 1 64 GLN QB 4.500 . 6.500 4.423 3.848 5.273 . 0 0 "[ . 1 . 2]" 1
497 1 31 VAL MG1 1 65 PHE H 4.000 . 5.500 3.943 3.502 4.223 . 0 0 "[ . 1 . 2]" 1
498 1 31 VAL MG2 1 65 PHE H 4.500 . 6.500 6.095 5.588 6.393 . 0 0 "[ . 1 . 2]" 1
499 1 31 VAL HA 1 65 PHE HB3 3.500 . 5.000 4.937 4.394 5.005 0.005 16 0 "[ . 1 . 2]" 1
500 1 31 VAL HA 1 66 ARG HA 3.000 . 3.500 2.814 2.377 3.412 . 0 0 "[ . 1 . 2]" 1
501 1 31 VAL MG1 1 66 ARG HA 4.000 . 5.500 3.336 2.451 3.979 . 0 0 "[ . 1 . 2]" 1
502 1 31 VAL MG2 1 66 ARG HA 4.000 . 5.500 3.361 2.590 4.193 . 0 0 "[ . 1 . 2]" 1
503 1 31 VAL HA 1 67 PHE H 3.000 . 3.500 3.097 2.271 3.505 0.005 5 0 "[ . 1 . 2]" 1
504 1 31 VAL MG1 1 67 PHE H 4.000 . 5.500 4.604 3.852 5.083 . 0 0 "[ . 1 . 2]" 1
505 1 31 VAL MG2 1 67 PHE H 4.500 . 6.500 4.041 3.271 4.533 . 0 0 "[ . 1 . 2]" 1
506 1 31 VAL H 1 67 PHE H 4.000 . 6.000 5.007 4.522 5.476 . 0 0 "[ . 1 . 2]" 1
507 1 32 PHE H 1 32 PHE HB2 3.500 . 5.000 3.008 2.869 3.116 . 0 0 "[ . 1 . 2]" 1
508 1 32 PHE H 1 32 PHE HB3 3.500 . 5.000 2.961 2.905 3.049 . 0 0 "[ . 1 . 2]" 1
509 1 32 PHE HA 1 33 ILE H 2.500 . 2.700 2.360 2.189 2.460 . 0 0 "[ . 1 . 2]" 1
510 1 32 PHE H 1 33 ILE H 3.500 . 5.000 4.423 4.371 4.445 . 0 0 "[ . 1 . 2]" 1
511 1 32 PHE H 1 64 GLN HA 4.000 . 6.000 5.130 4.699 5.391 . 0 0 "[ . 1 . 2]" 1
512 1 32 PHE H 1 65 PHE H 3.000 . 3.500 3.487 3.152 3.512 0.012 7 0 "[ . 1 . 2]" 1
513 1 32 PHE HB2 1 65 PHE H 4.000 . 6.000 5.225 4.905 5.514 . 0 0 "[ . 1 . 2]" 1
514 1 32 PHE HB3 1 65 PHE H 4.000 . 6.000 3.847 3.417 4.233 . 0 0 "[ . 1 . 2]" 1
515 1 32 PHE H 1 65 PHE HB3 3.500 . 5.000 3.601 2.933 3.803 . 0 0 "[ . 1 . 2]" 1
516 1 32 PHE H 1 65 PHE HB2 3.500 . 5.000 3.559 3.109 3.817 . 0 0 "[ . 1 . 2]" 1
517 1 32 PHE HB3 1 65 PHE HB2 3.500 . 5.000 2.282 1.988 2.976 . 0 0 "[ . 1 . 2]" 1
518 1 32 PHE HB2 1 65 PHE HB2 3.500 . 5.000 3.908 3.625 4.553 . 0 0 "[ . 1 . 2]" 1
519 1 32 PHE H 1 66 ARG HA 3.500 . 5.000 3.649 3.291 4.203 . 0 0 "[ . 1 . 2]" 1
520 1 32 PHE H 1 67 PHE QE 4.000 . 5.500 4.426 3.443 5.430 . 0 0 "[ . 1 . 2]" 1
521 1 33 ILE H 1 33 ILE HA 3.000 . 3.500 2.937 2.912 2.949 . 0 0 "[ . 1 . 2]" 1
522 1 33 ILE H 1 33 ILE HB 3.500 . 5.000 3.824 3.746 3.890 . 0 0 "[ . 1 . 2]" 1
523 1 33 ILE H 1 33 ILE MG 4.000 . 5.500 3.063 2.826 3.290 . 0 0 "[ . 1 . 2]" 1
524 1 33 ILE H 1 34 THR HA 4.000 . 6.000 5.111 4.929 5.261 . 0 0 "[ . 1 . 2]" 1
525 1 33 ILE HA 1 34 THR H 2.500 . 2.700 2.300 2.184 2.364 . 0 0 "[ . 1 . 2]" 1
526 1 33 ILE HB 1 34 THR H 3.500 . 5.000 2.655 2.465 3.066 . 0 0 "[ . 1 . 2]" 1
527 1 33 ILE HG12 1 34 THR H 4.000 . 6.000 4.982 4.767 5.260 . 0 0 "[ . 1 . 2]" 1
528 1 33 ILE HA 1 34 THR HB 4.000 . 6.000 4.407 4.371 4.460 . 0 0 "[ . 1 . 2]" 1
529 1 33 ILE MD 1 34 THR H 4.500 . 6.500 4.198 3.211 4.696 . 0 0 "[ . 1 . 2]" 1
530 1 33 ILE HA 1 63 THR H 4.000 . 6.000 5.029 4.696 5.423 . 0 0 "[ . 1 . 2]" 1
531 1 33 ILE HA 1 63 THR HB 4.000 . 6.000 4.895 4.761 5.103 . 0 0 "[ . 1 . 2]" 1
532 1 33 ILE HA 1 64 GLN QB 4.000 . 5.500 5.076 4.506 5.500 . 1 0 "[ . 1 . 2]" 1
533 1 33 ILE MG 1 64 GLN QB 4.000 . 5.500 4.244 3.650 4.866 . 0 0 "[ . 1 . 2]" 1
534 1 33 ILE MG 1 64 GLN H 4.500 . 6.500 5.383 4.940 5.947 . 0 0 "[ . 1 . 2]" 1
535 1 33 ILE HB 1 64 GLN QG 4.500 . 6.500 4.983 4.190 5.890 . 0 0 "[ . 1 . 2]" 1
536 1 33 ILE HB 1 64 GLN HA 4.000 . 6.000 4.661 4.142 5.213 . 0 0 "[ . 1 . 2]" 1
537 1 33 ILE HA 1 65 PHE H 3.500 . 5.000 3.049 2.681 3.430 . 0 0 "[ . 1 . 2]" 1
538 1 33 ILE MG 1 65 PHE H 4.000 . 5.500 3.721 3.357 4.349 . 0 0 "[ . 1 . 2]" 1
539 1 33 ILE MD 1 80 LEU MD2 4.500 . 6.500 3.964 2.688 5.669 . 0 0 "[ . 1 . 2]" 1
540 1 33 ILE MD 1 160 VAL MG1 4.500 . 6.500 3.983 2.762 6.055 . 0 0 "[ . 1 . 2]" 1
541 1 33 ILE MD 1 160 VAL MG2 4.500 . 6.500 3.308 2.718 4.946 . 0 0 "[ . 1 . 2]" 1
542 1 33 ILE HB 1 163 VAL MG1 4.500 . 6.500 3.939 3.255 4.533 . 0 0 "[ . 1 . 2]" 1
543 1 33 ILE HB 1 163 VAL MG2 4.500 . 6.500 4.509 3.888 5.093 . 0 0 "[ . 1 . 2]" 1
544 1 33 ILE MD 1 163 VAL MG1 4.000 . 5.500 2.639 1.917 3.111 . 0 0 "[ . 1 . 2]" 1
545 1 34 THR H 1 34 THR HA 3.000 . 3.500 2.829 2.818 2.912 . 0 0 "[ . 1 . 2]" 1
546 1 34 THR H 1 34 THR HB 3.000 . 3.500 3.489 3.306 3.505 0.005 8 0 "[ . 1 . 2]" 1
547 1 34 THR HA 1 35 THR H 3.000 . 3.500 2.426 2.290 2.450 . 0 0 "[ . 1 . 2]" 1
548 1 34 THR HB 1 35 THR H 3.500 . 5.000 3.775 3.725 3.912 . 0 0 "[ . 1 . 2]" 1
549 1 34 THR HA 1 35 THR HB 3.500 . 5.000 4.931 4.807 5.042 0.042 1 0 "[ . 1 . 2]" 1
550 1 34 THR H 1 63 THR H 3.500 . 5.000 3.332 3.071 3.662 . 0 0 "[ . 1 . 2]" 1
551 1 34 THR H 1 63 THR HB 3.000 . 3.500 3.484 3.273 3.502 0.002 1 0 "[ . 1 . 2]" 1
552 1 34 THR HB 1 63 THR HB 3.500 . 5.000 4.834 4.494 5.003 0.003 7 0 "[ . 1 . 2]" 1
553 1 34 THR MG 1 63 THR HB 4.000 . 5.000 2.181 1.929 2.402 . 0 0 "[ . 1 . 2]" 1
554 1 34 THR H 1 63 THR MG 4.000 . 5.500 4.503 4.134 4.717 . 0 0 "[ . 1 . 2]" 1
555 1 34 THR H 1 64 GLN H 4.000 . 6.000 5.478 5.241 5.765 . 0 0 "[ . 1 . 2]" 1
556 1 34 THR H 1 64 GLN QB 4.500 . 6.500 5.913 5.559 6.457 . 0 0 "[ . 1 . 2]" 1
557 1 34 THR H 1 64 GLN QG 4.500 . 6.500 5.325 4.746 6.085 . 0 0 "[ . 1 . 2]" 1
558 1 34 THR H 1 65 PHE H 3.500 . 5.000 4.700 4.331 4.998 . 0 0 "[ . 1 . 2]" 1
559 1 34 THR H 1 163 VAL MG1 4.500 . 6.500 4.465 3.911 5.316 . 0 0 "[ . 1 . 2]" 1
560 1 34 THR HA 1 163 VAL MG1 4.500 . 6.500 2.905 2.332 3.550 . 0 0 "[ . 1 . 2]" 1
561 1 34 THR H 1 163 VAL MG2 4.000 . 5.500 4.463 3.823 5.162 . 0 0 "[ . 1 . 2]" 1
562 1 34 THR HA 1 163 VAL MG2 4.000 . 5.500 3.477 2.703 4.425 . 0 0 "[ . 1 . 2]" 1
563 1 35 THR H 1 35 THR MG 3.500 . 5.000 3.773 3.738 3.786 . 0 0 "[ . 1 . 2]" 1
564 1 35 THR MG 1 36 THR HB 4.000 . 5.500 3.966 3.603 4.757 . 0 0 "[ . 1 . 2]" 1
565 1 35 THR MG 1 36 THR HA 4.500 . 6.500 4.151 4.053 4.299 . 0 0 "[ . 1 . 2]" 1
566 1 35 THR MG 1 37 HIS H 4.000 . 5.500 1.922 1.830 2.460 . 0 0 "[ . 1 . 2]" 1
567 1 35 THR H 1 37 HIS H 4.000 . 6.000 5.457 5.087 5.777 . 0 0 "[ . 1 . 2]" 1
568 1 35 THR MG 1 37 HIS HB2 4.500 . 6.500 3.479 2.800 4.935 . 0 0 "[ . 1 . 2]" 1
569 1 35 THR MG 1 37 HIS HB3 4.500 . 6.500 2.533 1.912 4.051 . 0 0 "[ . 1 . 2]" 1
570 1 35 THR H 1 38 VAL H 4.000 . 6.000 4.743 4.428 5.269 . 0 0 "[ . 1 . 2]" 1
571 1 35 THR H 1 38 VAL MG2 4.000 . 5.500 2.727 1.933 3.465 . 0 0 "[ . 1 . 2]" 1
572 1 35 THR HB 1 38 VAL MG2 3.500 . 4.500 1.869 1.820 1.936 . 0 0 "[ . 1 . 2]" 1
573 1 35 THR HB 1 38 VAL MG1 3.500 . 4.500 3.196 1.908 4.331 . 0 0 "[ . 1 . 2]" 1
574 1 35 THR HB 1 38 VAL H 3.500 . 5.000 2.887 2.527 3.245 . 0 0 "[ . 1 . 2]" 1
575 1 35 THR H 1 38 VAL MG1 4.500 . 6.500 4.807 3.449 6.050 . 0 0 "[ . 1 . 2]" 1
576 1 35 THR MG 1 38 VAL MG2 4.500 . 6.500 2.775 2.016 3.345 . 0 0 "[ . 1 . 2]" 1
577 1 35 THR H 1 39 VAL QG 4.500 . 6.500 4.913 4.057 6.150 . 0 0 "[ . 1 . 2]" 1
578 1 35 THR MG 1 61 GLU HA 4.500 . 6.500 2.956 2.142 3.718 . 0 0 "[ . 1 . 2]" 1
579 1 35 THR MG 1 61 GLU HB3 4.000 . 6.000 2.877 1.947 4.338 . 0 0 "[ . 1 . 2]" 1
580 1 35 THR HA 1 62 PHE HA 3.000 . 3.500 3.356 3.026 3.503 0.003 10 0 "[ . 1 . 2]" 1
581 1 35 THR MG 1 62 PHE HA 4.000 . 5.500 4.393 3.969 4.907 . 0 0 "[ . 1 . 2]" 1
582 1 35 THR H 1 63 THR H 4.000 . 6.000 5.039 4.863 5.248 . 0 0 "[ . 1 . 2]" 1
583 1 35 THR HA 1 63 THR H 3.500 . 5.000 3.339 2.992 3.785 . 0 0 "[ . 1 . 2]" 1
584 1 35 THR H 1 63 THR HB 4.000 . 6.000 4.904 4.376 5.507 . 0 0 "[ . 1 . 2]" 1
585 1 35 THR HB 1 146 CYS QB 3.500 . 5.000 4.927 4.706 5.017 0.017 10 0 "[ . 1 . 2]" 1
586 1 35 THR MG 1 146 CYS HA 4.500 . 6.500 6.229 5.711 6.511 0.011 11 0 "[ . 1 . 2]" 1
587 1 35 THR MG 1 146 CYS QB 4.500 . 6.500 4.630 4.394 4.977 . 0 0 "[ . 1 . 2]" 1
588 1 35 THR HB 1 147 GLY H 4.000 . 6.000 5.530 4.854 6.014 0.014 5 0 "[ . 1 . 2]" 1
589 1 35 THR HB 1 147 GLY HA3 3.500 . 5.000 3.819 3.460 4.533 . 0 0 "[ . 1 . 2]" 1
590 1 35 THR HB 1 147 GLY HA2 3.500 . 5.000 4.268 3.337 4.610 . 0 0 "[ . 1 . 2]" 1
591 1 35 THR H 1 147 GLY HA3 3.500 . 5.000 4.031 3.773 4.682 . 0 0 "[ . 1 . 2]" 1
592 1 35 THR MG 1 147 GLY HA3 4.000 . 5.500 4.436 3.766 5.419 . 0 0 "[ . 1 . 2]" 1
593 1 35 THR HB 1 163 VAL HB 3.500 . 5.000 4.993 4.789 5.011 0.011 10 0 "[ . 1 . 2]" 1
594 1 35 THR HB 1 163 VAL MG2 4.500 . 6.500 3.991 3.525 4.318 . 0 0 "[ . 1 . 2]" 1
595 1 35 THR HB 1 165 ALA HA 4.000 . 6.000 5.166 4.049 5.881 . 0 0 "[ . 1 . 2]" 1
596 1 35 THR MG 1 165 ALA MB 4.500 . 6.500 3.303 1.965 4.300 . 0 0 "[ . 1 . 2]" 1
597 1 36 THR HA 1 37 HIS H 3.500 . 5.500 3.464 3.395 3.547 . 0 0 "[ . 1 . 2]" 1
598 1 36 THR HB 1 37 HIS H 3.000 . 3.500 3.084 2.693 3.508 0.008 1 0 "[ . 1 . 2]" 1
599 1 36 THR MG 1 37 HIS H 4.000 . 5.500 4.088 3.690 4.318 . 0 0 "[ . 1 . 2]" 1
600 1 36 THR MG 1 37 HIS HA 4.500 . 6.500 4.333 3.688 5.385 . 0 0 "[ . 1 . 2]" 1
601 1 36 THR MG 1 38 VAL H 4.500 . 6.500 5.087 4.696 5.357 . 0 0 "[ . 1 . 2]" 1
602 1 36 THR HB 1 61 GLU HA 3.500 . 5.000 3.062 2.560 4.458 . 0 0 "[ . 1 . 2]" 1
603 1 36 THR HA 1 61 GLU HA 3.500 . 5.000 5.003 5.001 5.006 0.006 7 0 "[ . 1 . 2]" 1
604 1 36 THR MG 1 62 PHE H 4.500 . 6.500 4.484 3.304 5.405 . 0 0 "[ . 1 . 2]" 1
605 1 36 THR HA 1 63 THR HB 3.500 . 5.000 4.155 3.628 5.001 0.001 1 0 "[ . 1 . 2]" 1
606 1 37 HIS H 1 37 HIS HA 3.000 . 3.500 2.847 2.824 2.857 . 0 0 "[ . 1 . 2]" 1
607 1 37 HIS H 1 37 HIS HB2 3.000 . 3.500 2.958 2.581 3.580 0.080 1 0 "[ . 1 . 2]" 1
608 1 37 HIS H 1 37 HIS HB3 3.500 . 5.000 2.458 2.349 2.542 . 0 0 "[ . 1 . 2]" 1
609 1 37 HIS H 1 37 HIS HD2 3.500 . 5.000 4.539 1.984 4.998 . 0 0 "[ . 1 . 2]" 1
610 1 37 HIS H 1 38 VAL H 3.000 . 3.500 2.513 2.462 2.595 . 0 0 "[ . 1 . 2]" 1
611 1 37 HIS H 1 38 VAL HA 4.000 . 6.000 5.151 5.093 5.225 . 0 0 "[ . 1 . 2]" 1
612 1 37 HIS H 1 38 VAL MG1 4.000 . 5.500 4.431 3.690 5.101 . 0 0 "[ . 1 . 2]" 1
613 1 37 HIS H 1 38 VAL MG2 4.000 . 5.500 3.562 3.360 3.795 . 0 0 "[ . 1 . 2]" 1
614 1 37 HIS HA 1 38 VAL H 3.500 . 5.000 3.459 3.384 3.499 . 0 0 "[ . 1 . 2]" 1
615 1 37 HIS HB3 1 38 VAL H 3.500 . 5.000 3.327 2.758 4.203 . 0 0 "[ . 1 . 2]" 1
616 1 37 HIS H 1 38 VAL HB 4.000 . 6.000 6.032 6.010 6.060 0.060 17 0 "[ . 1 . 2]" 1
617 1 37 HIS HB3 1 38 VAL HA 4.000 . 6.000 4.934 4.386 5.774 . 0 0 "[ . 1 . 2]" 1
618 1 37 HIS HD2 1 38 VAL MG1 3.500 . 4.000 2.485 1.945 3.206 . 0 0 "[ . 1 . 2]" 1
619 1 37 HIS HD2 1 38 VAL HB 3.500 . 5.000 4.803 4.240 5.008 0.008 12 0 "[ . 1 . 2]" 1
620 1 37 HIS H 1 39 VAL HB 4.000 . 6.000 5.457 4.860 5.809 . 0 0 "[ . 1 . 2]" 1
621 1 37 HIS HA 1 39 VAL H 3.500 . 5.000 4.007 3.634 4.442 . 0 0 "[ . 1 . 2]" 1
622 1 37 HIS H 1 61 GLU HA 3.500 . 5.000 3.726 3.079 4.934 . 0 0 "[ . 1 . 2]" 1
623 1 38 VAL H 1 38 VAL HA 3.000 . 3.500 2.912 2.866 2.946 . 0 0 "[ . 1 . 2]" 1
624 1 38 VAL H 1 38 VAL HB 3.000 . 3.500 3.580 3.528 3.618 0.118 17 0 "[ . 1 . 2]" 1
625 1 38 VAL H 1 38 VAL MG1 3.500 . 4.500 2.848 2.175 3.462 . 0 0 "[ . 1 . 2]" 1
626 1 38 VAL H 1 38 VAL MG2 4.000 . 5.500 1.914 1.870 1.968 . 0 0 "[ . 1 . 2]" 1
627 1 38 VAL H 1 39 VAL H 2.500 . 3.500 2.568 1.969 3.037 . 0 0 "[ . 1 . 2]" 1
628 1 38 VAL H 1 39 VAL HA 3.500 . 5.000 4.783 4.510 5.009 0.009 1 0 "[ . 1 . 2]" 1
629 1 38 VAL H 1 39 VAL QG 4.000 . 5.500 3.498 2.840 4.131 . 0 0 "[ . 1 . 2]" 1
630 1 38 VAL HA 1 39 VAL H 3.500 . 5.000 3.156 2.850 3.517 . 0 0 "[ . 1 . 2]" 1
631 1 38 VAL HB 1 39 VAL H 3.500 . 5.000 4.131 3.678 4.451 . 0 0 "[ . 1 . 2]" 1
632 1 38 VAL MG1 1 39 VAL H 4.000 . 5.500 4.260 3.900 4.441 . 0 0 "[ . 1 . 2]" 1
633 1 38 VAL MG2 1 39 VAL H 4.000 . 5.500 3.094 2.062 3.886 . 0 0 "[ . 1 . 2]" 1
634 1 38 VAL MG1 1 39 VAL HA 4.000 . 5.500 5.464 5.372 5.545 0.045 17 0 "[ . 1 . 2]" 1
635 1 38 VAL HA 1 39 VAL HA 3.500 . 5.000 4.702 4.504 4.914 . 0 0 "[ . 1 . 2]" 1
636 1 38 VAL MG1 1 146 CYS QB 3.500 . 4.000 2.242 1.794 2.930 0.006 2 0 "[ . 1 . 2]" 1
637 1 38 VAL MG2 1 146 CYS QB 4.000 . 5.500 3.710 2.441 4.862 . 0 0 "[ . 1 . 2]" 1
638 1 38 VAL MG1 1 147 GLY H 4.000 . 5.500 4.425 3.521 5.502 0.002 3 0 "[ . 1 . 2]" 1
639 1 38 VAL MG1 1 147 GLY QA 4.000 . 5.500 3.650 2.146 4.905 . 0 0 "[ . 1 . 2]" 1
640 1 39 VAL H 1 39 VAL HA 3.000 . 3.500 2.852 2.741 2.938 . 0 0 "[ . 1 . 2]" 1
641 1 39 VAL H 1 39 VAL HB 2.500 . 2.700 2.611 2.422 2.716 0.016 20 0 "[ . 1 . 2]" 1
642 1 39 VAL H 1 39 VAL QG 4.000 . 5.500 2.224 1.940 2.451 . 0 0 "[ . 1 . 2]" 1
643 1 39 VAL H 1 40 PRO HD3 3.000 . 4.500 4.473 4.333 4.532 0.032 5 0 "[ . 1 . 2]" 1
644 1 39 VAL HA 1 40 PRO HD2 3.000 . 4.500 2.295 2.232 2.356 . 0 0 "[ . 1 . 2]" 1
645 1 39 VAL HA 1 40 PRO HD3 3.000 . 4.500 2.169 2.101 2.235 . 0 0 "[ . 1 . 2]" 1
646 1 39 VAL HB 1 40 PRO HD3 4.000 . 5.500 4.774 4.526 4.955 . 0 0 "[ . 1 . 2]" 1
647 1 39 VAL HB 1 40 PRO HD2 4.000 . 5.500 4.382 4.157 4.611 . 0 0 "[ . 1 . 2]" 1
648 1 39 VAL HA 1 40 PRO HG2 3.500 . 5.000 4.409 4.375 4.436 . 0 0 "[ . 1 . 2]" 1
649 1 39 VAL HA 1 40 PRO HG3 3.500 . 5.000 4.343 4.309 4.373 . 0 0 "[ . 1 . 2]" 1
650 1 39 VAL QG 1 63 THR HB 4.500 . 6.500 4.005 3.275 4.941 . 0 0 "[ . 1 . 2]" 1
651 1 40 PRO HA 1 40 PRO HB2 2.500 . 2.700 2.671 2.667 2.674 . 0 0 "[ . 1 . 2]" 1
652 1 40 PRO HA 1 40 PRO HB3 2.500 . 2.700 2.322 2.320 2.324 . 0 0 "[ . 1 . 2]" 1
653 1 40 PRO HA 1 40 PRO HD2 3.500 . 5.000 4.064 4.057 4.073 . 0 0 "[ . 1 . 2]" 1
654 1 40 PRO HA 1 40 PRO HD3 3.500 . 5.000 3.824 3.797 3.841 . 0 0 "[ . 1 . 2]" 1
655 1 40 PRO HA 1 41 THR H 2.500 . 2.700 2.707 2.698 2.718 0.018 14 0 "[ . 1 . 2]" 1
656 1 40 PRO HA 1 41 THR MG 4.000 . 5.500 4.617 3.367 5.385 . 0 0 "[ . 1 . 2]" 1
657 1 40 PRO HB2 1 41 THR H 3.000 . 3.500 1.916 1.885 1.936 . 0 0 "[ . 1 . 2]" 1
658 1 40 PRO HB3 1 41 THR H 3.000 . 3.500 3.253 3.244 3.265 . 0 0 "[ . 1 . 2]" 1
659 1 40 PRO HB2 1 41 THR MG 4.000 . 6.000 4.909 3.897 5.431 . 0 0 "[ . 1 . 2]" 1
660 1 40 PRO HD2 1 41 THR H 3.500 . 5.000 5.031 5.021 5.042 0.042 14 0 "[ . 1 . 2]" 1
661 1 40 PRO HD3 1 41 THR H 4.000 . 6.000 5.383 5.349 5.403 . 0 0 "[ . 1 . 2]" 1
662 1 40 PRO HG3 1 41 THR H 3.500 . 5.000 4.498 4.454 4.525 . 0 0 "[ . 1 . 2]" 1
663 1 40 PRO HA 1 41 THR HA 3.500 . 5.000 4.612 4.558 4.650 . 0 0 "[ . 1 . 2]" 1
664 1 40 PRO HG2 1 41 THR H 3.500 . 5.000 3.658 3.611 3.688 . 0 0 "[ . 1 . 2]" 1
665 1 40 PRO HG2 1 43 VAL MG1 4.500 . 6.500 3.967 3.511 4.309 . 0 0 "[ . 1 . 2]" 1
666 1 40 PRO HG2 1 43 VAL MG2 4.000 . 5.500 2.668 2.309 2.840 . 0 0 "[ . 1 . 2]" 1
667 1 40 PRO HG3 1 43 VAL MG1 4.500 . 6.500 4.259 3.860 4.573 . 0 0 "[ . 1 . 2]" 1
668 1 40 PRO HG3 1 43 VAL MG2 4.500 . 6.500 3.613 3.228 3.968 . 0 0 "[ . 1 . 2]" 1
669 1 40 PRO HB2 1 43 VAL H 3.500 . 5.000 3.882 3.681 4.286 . 0 0 "[ . 1 . 2]" 1
670 1 40 PRO HB3 1 43 VAL H 4.000 . 6.000 5.514 5.315 5.852 . 0 0 "[ . 1 . 2]" 1
671 1 40 PRO HB2 1 43 VAL MG1 4.000 . 5.500 4.438 4.081 4.604 . 0 0 "[ . 1 . 2]" 1
672 1 40 PRO HB3 1 43 VAL MG1 4.000 . 5.500 5.356 4.933 5.502 0.002 10 0 "[ . 1 . 2]" 1
673 1 40 PRO HB2 1 43 VAL MG2 4.500 . 6.500 3.868 3.528 4.135 . 0 0 "[ . 1 . 2]" 1
674 1 40 PRO HB3 1 43 VAL MG2 4.500 . 6.500 4.910 4.663 5.229 . 0 0 "[ . 1 . 2]" 1
675 1 40 PRO HG2 1 43 VAL H 3.500 . 5.000 3.797 3.544 3.988 . 0 0 "[ . 1 . 2]" 1
676 1 40 PRO HG3 1 43 VAL H 3.500 . 5.000 4.983 4.673 5.009 0.009 20 0 "[ . 1 . 2]" 1
677 1 40 PRO HD3 1 43 VAL MG2 4.500 . 6.500 4.978 4.415 5.200 . 0 0 "[ . 1 . 2]" 1
678 1 41 THR H 1 41 THR HA 3.000 . 3.500 2.887 2.857 2.920 . 0 0 "[ . 1 . 2]" 1
679 1 41 THR H 1 41 THR HB 3.000 . 3.500 3.282 3.040 3.502 0.002 20 0 "[ . 1 . 2]" 1
680 1 41 THR H 1 41 THR MG 4.000 . 5.500 3.462 2.237 4.068 . 0 0 "[ . 1 . 2]" 1
681 1 41 THR H 1 42 GLY H 3.500 . 5.000 2.172 1.984 3.651 . 0 0 "[ . 1 . 2]" 1
682 1 41 THR H 1 42 GLY HA3 3.500 . 5.000 3.912 3.814 4.381 . 0 0 "[ . 1 . 2]" 1
683 1 41 THR HA 1 42 GLY H 3.000 . 3.500 2.878 2.242 2.961 . 0 0 "[ . 1 . 2]" 1
684 1 41 THR HB 1 42 GLY H 3.500 . 5.000 4.300 4.084 4.619 . 0 0 "[ . 1 . 2]" 1
685 1 41 THR MG 1 42 GLY H 4.000 . 5.500 4.016 3.509 4.374 . 0 0 "[ . 1 . 2]" 1
686 1 41 THR HA 1 42 GLY HA3 3.500 . 5.000 4.942 4.493 4.997 . 0 0 "[ . 1 . 2]" 1
687 1 41 THR HA 1 42 GLY HA2 3.500 . 5.000 4.508 4.314 4.543 . 0 0 "[ . 1 . 2]" 1
688 1 41 THR H 1 43 VAL MG1 4.000 . 5.500 5.379 5.120 5.500 0.000 4 0 "[ . 1 . 2]" 1
689 1 41 THR H 1 43 VAL MG2 4.000 . 5.500 4.637 4.289 4.782 . 0 0 "[ . 1 . 2]" 1
690 1 41 THR HA 1 43 VAL H 3.500 . 5.000 3.957 3.772 4.204 . 0 0 "[ . 1 . 2]" 1
691 1 41 THR MG 1 43 VAL H 4.000 . 5.500 5.261 5.144 5.482 . 0 0 "[ . 1 . 2]" 1
692 1 41 THR H 1 43 VAL H 4.000 . 6.000 4.103 3.873 4.559 . 0 0 "[ . 1 . 2]" 1
693 1 41 THR HA 1 43 VAL MG2 4.500 . 6.500 4.187 3.880 4.456 . 0 0 "[ . 1 . 2]" 1
694 1 41 THR HB 1 43 VAL H 4.000 . 6.000 5.957 5.819 6.013 0.013 20 0 "[ . 1 . 2]" 1
695 1 42 GLY H 1 42 GLY HA2 3.000 . 3.500 2.940 2.781 2.957 . 0 0 "[ . 1 . 2]" 1
696 1 42 GLY H 1 42 GLY HA3 3.000 . 3.500 2.441 2.398 2.836 . 0 0 "[ . 1 . 2]" 1
697 1 42 GLY H 1 43 VAL H 2.500 . 3.000 2.072 1.994 2.180 . 0 0 "[ . 1 . 2]" 1
698 1 42 GLY H 1 43 VAL MG2 4.000 . 5.500 3.349 3.165 3.447 . 0 0 "[ . 1 . 2]" 1
699 1 42 GLY HA2 1 43 VAL H 3.500 . 5.000 3.490 3.444 3.536 . 0 0 "[ . 1 . 2]" 1
700 1 42 GLY HA3 1 43 VAL H 3.500 . 5.000 2.960 2.834 3.071 . 0 0 "[ . 1 . 2]" 1
701 1 42 GLY HA3 1 43 VAL MG1 4.000 . 5.500 3.914 3.628 4.215 . 0 0 "[ . 1 . 2]" 1
702 1 42 GLY HA3 1 43 VAL MG2 4.000 . 5.500 4.515 4.447 4.644 . 0 0 "[ . 1 . 2]" 1
703 1 43 VAL H 1 43 VAL HA 3.000 . 3.500 2.901 2.861 2.938 . 0 0 "[ . 1 . 2]" 1
704 1 43 VAL H 1 43 VAL HB 3.500 . 5.000 3.649 3.608 3.702 . 0 0 "[ . 1 . 2]" 1
705 1 43 VAL H 1 43 VAL MG1 3.500 . 4.000 2.571 2.408 2.716 . 0 0 "[ . 1 . 2]" 1
706 1 43 VAL H 1 43 VAL MG2 3.500 . 4.000 2.105 1.988 2.157 . 0 0 "[ . 1 . 2]" 1
707 1 43 VAL H 1 44 LYS H 3.500 . 5.000 4.586 4.537 4.620 . 0 0 "[ . 1 . 2]" 1
708 1 43 VAL HA 1 44 LYS H 2.500 . 2.700 2.325 2.255 2.446 . 0 0 "[ . 1 . 2]" 1
709 1 43 VAL HA 1 44 LYS QD 4.000 . 5.500 4.285 2.625 5.397 . 0 0 "[ . 1 . 2]" 1
710 1 43 VAL HB 1 44 LYS H 3.000 . 3.500 2.587 2.282 2.779 . 0 0 "[ . 1 . 2]" 1
711 1 43 VAL MG1 1 44 LYS H 4.500 . 6.500 3.682 3.589 3.770 . 0 0 "[ . 1 . 2]" 1
712 1 43 VAL MG2 1 44 LYS H 4.500 . 6.500 3.633 3.407 3.777 . 0 0 "[ . 1 . 2]" 1
713 1 43 VAL MG2 1 44 LYS HA 4.500 . 6.500 3.859 3.653 4.073 . 0 0 "[ . 1 . 2]" 1
714 1 43 VAL MG2 1 44 LYS HB3 4.500 . 6.500 5.739 5.150 6.039 . 0 0 "[ . 1 . 2]" 1
715 1 43 VAL HA 1 44 LYS QG 4.000 . 6.000 4.198 3.204 5.748 . 0 0 "[ . 1 . 2]" 1
716 1 43 VAL HA 1 44 LYS HA 3.500 . 5.000 4.433 4.397 4.492 . 0 0 "[ . 1 . 2]" 1
717 1 43 VAL HB 1 44 LYS HA 3.500 . 5.000 4.429 4.315 4.530 . 0 0 "[ . 1 . 2]" 1
718 1 43 VAL HA 1 45 GLU H 3.500 . 5.000 4.116 3.968 4.338 . 0 0 "[ . 1 . 2]" 1
719 1 43 VAL HB 1 45 GLU H 2.500 . 2.700 2.615 2.509 2.685 . 0 0 "[ . 1 . 2]" 1
720 1 43 VAL MG1 1 45 GLU H 4.500 . 6.500 4.239 4.156 4.293 . 0 0 "[ . 1 . 2]" 1
721 1 43 VAL MG2 1 45 GLU H 4.500 . 6.500 3.077 2.771 3.349 . 0 0 "[ . 1 . 2]" 1
722 1 43 VAL MG2 1 46 PHE HA 4.500 . 6.500 4.522 3.959 4.992 . 0 0 "[ . 1 . 2]" 1
723 1 43 VAL MG1 1 46 PHE HA 4.500 . 6.500 5.290 5.071 5.576 . 0 0 "[ . 1 . 2]" 1
724 1 44 LYS H 1 44 LYS HA 3.000 . 3.500 2.941 2.922 2.948 . 0 0 "[ . 1 . 2]" 1
725 1 44 LYS H 1 44 LYS HB2 3.500 . 5.000 2.833 2.427 3.789 . 0 0 "[ . 1 . 2]" 1
726 1 44 LYS H 1 44 LYS HB3 3.500 . 5.000 3.554 2.988 3.898 . 0 0 "[ . 1 . 2]" 1
727 1 44 LYS H 1 44 LYS QG 4.000 . 5.500 3.210 1.961 4.264 . 0 0 "[ . 1 . 2]" 1
728 1 44 LYS H 1 44 LYS QD 4.000 . 5.500 3.675 2.587 4.432 . 0 0 "[ . 1 . 2]" 1
729 1 44 LYS H 1 45 GLU H 2.500 . 2.700 2.469 2.234 2.654 . 0 0 "[ . 1 . 2]" 1
730 1 44 LYS H 1 45 GLU HA 3.500 . 5.000 4.876 4.698 5.005 0.005 16 0 "[ . 1 . 2]" 1
731 1 44 LYS HA 1 45 GLU H 3.000 . 3.500 2.917 2.868 2.966 . 0 0 "[ . 1 . 2]" 1
732 1 44 LYS HB2 1 45 GLU H 3.500 . 5.000 4.222 4.042 4.444 . 0 0 "[ . 1 . 2]" 1
733 1 44 LYS HB3 1 45 GLU H 3.500 . 5.000 4.396 4.097 4.644 . 0 0 "[ . 1 . 2]" 1
734 1 44 LYS QD 1 45 GLU H 4.000 . 5.500 5.163 4.542 5.504 0.004 10 0 "[ . 1 . 2]" 1
735 1 44 LYS QG 1 45 GLU H 4.000 . 5.500 4.454 3.739 4.840 . 0 0 "[ . 1 . 2]" 1
736 1 44 LYS HA 1 45 GLU HA 3.500 . 5.000 4.373 4.356 4.392 . 0 0 "[ . 1 . 2]" 1
737 1 44 LYS HA 1 45 GLU HG2 3.500 . 5.000 4.831 4.797 4.910 . 0 0 "[ . 1 . 2]" 1
738 1 44 LYS H 1 45 GLU HG2 3.500 . 5.000 3.027 2.884 3.129 . 0 0 "[ . 1 . 2]" 1
739 1 44 LYS HA 1 51 LEU MD2 4.500 . 6.500 4.648 1.975 5.121 . 0 0 "[ . 1 . 2]" 1
740 1 45 GLU H 1 45 GLU HA 3.000 . 3.500 2.789 2.776 2.814 . 0 0 "[ . 1 . 2]" 1
741 1 45 GLU H 1 45 GLU HB2 3.500 . 5.000 3.964 3.935 3.979 . 0 0 "[ . 1 . 2]" 1
742 1 45 GLU H 1 45 GLU HG2 3.000 . 3.500 2.669 2.627 2.691 . 0 0 "[ . 1 . 2]" 1
743 1 45 GLU H 1 46 PHE H 3.500 . 5.000 4.211 4.198 4.232 . 0 0 "[ . 1 . 2]" 1
744 1 45 GLU HB2 1 46 PHE H 3.500 . 5.000 2.757 2.752 2.767 . 0 0 "[ . 1 . 2]" 1
745 1 45 GLU HG2 1 46 PHE H 3.500 . 5.000 4.539 4.524 4.556 . 0 0 "[ . 1 . 2]" 1
746 1 45 GLU HA 1 46 PHE H 3.000 . 3.500 2.262 2.260 2.268 . 0 0 "[ . 1 . 2]" 1
747 1 45 GLU H 1 46 PHE HB3 4.000 . 6.000 6.039 6.034 6.055 0.055 16 0 "[ . 1 . 2]" 1
748 1 45 GLU HB3 1 46 PHE H 3.500 . 5.000 3.650 3.641 3.660 . 0 0 "[ . 1 . 2]" 1
749 1 45 GLU HG2 1 46 PHE HA 4.000 . 6.000 4.762 4.728 4.805 . 0 0 "[ . 1 . 2]" 1
750 1 45 GLU HG2 1 47 PHE H 4.000 . 6.000 6.017 6.011 6.020 0.020 4 0 "[ . 1 . 2]" 1
751 1 45 GLU HB2 1 48 GLY H 3.500 . 5.000 3.362 3.348 3.370 . 0 0 "[ . 1 . 2]" 1
752 1 45 GLU HB2 1 48 GLY QA 3.500 . 5.000 3.232 3.049 3.321 . 0 0 "[ . 1 . 2]" 1
753 1 45 GLU HB3 1 48 GLY H 3.500 . 5.000 5.088 5.079 5.095 0.095 18 0 "[ . 1 . 2]" 1
754 1 45 GLU HG2 1 48 GLY H 3.500 . 5.000 4.972 4.875 5.004 0.004 1 0 "[ . 1 . 2]" 1
755 1 45 GLU HG3 1 48 GLY H 3.500 . 5.000 4.290 4.201 4.413 . 0 0 "[ . 1 . 2]" 1
756 1 45 GLU HB2 1 49 GLU H 4.000 . 6.000 2.722 2.519 3.164 . 0 0 "[ . 1 . 2]" 1
757 1 45 GLU HB3 1 49 GLU H 4.000 . 6.000 3.994 3.823 4.393 . 0 0 "[ . 1 . 2]" 1
758 1 45 GLU HG2 1 49 GLU H 4.000 . 6.000 5.261 5.058 5.711 . 0 0 "[ . 1 . 2]" 1
759 1 45 GLU HG3 1 49 GLU H 4.000 . 6.000 4.675 4.462 5.111 . 0 0 "[ . 1 . 2]" 1
760 1 45 GLU HB3 1 49 GLU HA 4.000 . 6.000 5.260 4.884 5.987 . 0 0 "[ . 1 . 2]" 1
761 1 45 GLU HB2 1 49 GLU HA 4.000 . 6.000 4.830 4.537 5.453 . 0 0 "[ . 1 . 2]" 1
762 1 45 GLU HA 1 50 PRO HA 3.500 . 5.000 3.423 2.545 4.968 . 0 0 "[ . 1 . 2]" 1
763 1 45 GLU HB3 1 50 PRO HA 3.500 . 5.000 2.991 1.995 4.998 . 0 0 "[ . 1 . 2]" 1
764 1 45 GLU HA 1 51 LEU H 3.000 . 3.500 3.318 3.061 3.508 0.008 14 0 "[ . 1 . 2]" 1
765 1 45 GLU H 1 51 LEU MD2 4.000 . 5.500 5.269 3.699 5.506 0.006 2 0 "[ . 1 . 2]" 1
766 1 45 GLU HB3 1 51 LEU H 4.000 . 6.000 3.959 3.701 4.201 . 0 0 "[ . 1 . 2]" 1
767 1 45 GLU HB2 1 51 LEU H 4.000 . 6.000 5.182 5.050 5.337 . 0 0 "[ . 1 . 2]" 1
768 1 45 GLU HA 1 51 LEU HB2 4.000 . 6.000 4.525 3.096 4.769 . 0 0 "[ . 1 . 2]" 1
769 1 45 GLU HA 1 51 LEU HB3 4.000 . 6.000 5.285 2.172 6.005 0.005 6 0 "[ . 1 . 2]" 1
770 1 46 PHE H 1 46 PHE HA 3.000 . 3.500 2.943 2.941 2.946 . 0 0 "[ . 1 . 2]" 1
771 1 46 PHE H 1 47 PHE H 3.500 . 5.000 4.339 4.326 4.363 . 0 0 "[ . 1 . 2]" 1
772 1 46 PHE HA 1 47 PHE H 2.500 . 2.700 2.165 2.161 2.169 . 0 0 "[ . 1 . 2]" 1
773 1 46 PHE HA 1 47 PHE HA 4.000 . 6.000 4.336 4.333 4.339 . 0 0 "[ . 1 . 2]" 1
774 1 46 PHE HB2 1 47 PHE H 3.500 . 5.000 3.841 3.794 3.902 . 0 0 "[ . 1 . 2]" 1
775 1 46 PHE HB3 1 47 PHE H 3.500 . 5.000 3.244 3.226 3.271 . 0 0 "[ . 1 . 2]" 1
776 1 46 PHE HB2 1 47 PHE HA 4.000 . 6.000 5.456 5.406 5.523 . 0 0 "[ . 1 . 2]" 1
777 1 46 PHE H 1 48 GLY H 3.500 . 5.000 3.872 3.817 3.929 . 0 0 "[ . 1 . 2]" 1
778 1 46 PHE HA 1 48 GLY H 3.500 . 5.000 3.620 3.605 3.633 . 0 0 "[ . 1 . 2]" 1
779 1 46 PHE H 1 49 GLU H 3.000 . 3.500 2.456 2.311 2.648 . 0 0 "[ . 1 . 2]" 1
780 1 46 PHE H 1 49 GLU HA 3.500 . 5.000 4.589 4.327 5.007 0.007 16 0 "[ . 1 . 2]" 1
781 1 46 PHE H 1 49 GLU QB 4.000 . 5.500 3.004 2.727 3.578 . 0 0 "[ . 1 . 2]" 1
782 1 46 PHE HA 1 49 GLU H 4.000 . 6.000 4.154 4.051 4.370 . 0 0 "[ . 1 . 2]" 1
783 1 46 PHE QD 1 49 GLU H 4.000 . 5.500 4.181 4.099 4.338 . 0 0 "[ . 1 . 2]" 1
784 1 46 PHE QD 1 50 PRO HA 4.000 . 5.500 5.129 4.835 5.520 0.020 16 0 "[ . 1 . 2]" 1
785 1 46 PHE H 1 51 LEU H 3.500 . 5.000 4.925 4.574 5.017 0.017 7 0 "[ . 1 . 2]" 1
786 1 46 PHE H 1 51 LEU MD2 4.000 . 5.500 5.445 5.344 5.503 0.003 12 0 "[ . 1 . 2]" 1
787 1 46 PHE H 1 54 ILE HG13 4.000 . 6.000 5.739 5.537 6.006 0.006 16 0 "[ . 1 . 2]" 1
788 1 46 PHE HB2 1 54 ILE MD 4.000 . 5.500 3.405 3.019 3.608 . 0 0 "[ . 1 . 2]" 1
789 1 46 PHE QD 1 54 ILE MD 4.000 . 5.500 1.964 1.889 2.067 . 0 0 "[ . 1 . 2]" 1
790 1 46 PHE HA 1 54 ILE MD 4.500 . 6.500 5.209 5.048 5.341 . 0 0 "[ . 1 . 2]" 1
791 1 46 PHE HB3 1 47 PHE HA 4.000 . 6.000 5.268 5.230 5.315 . 0 0 "[ . 1 . 2]" 1
792 1 47 PHE H 1 47 PHE HA 3.000 . 3.500 2.288 2.282 2.295 . 0 0 "[ . 1 . 2]" 1
793 1 47 PHE H 1 47 PHE HB2 3.500 . 5.000 2.968 2.842 3.129 . 0 0 "[ . 1 . 2]" 1
794 1 47 PHE H 1 47 PHE HB3 3.500 . 5.000 3.946 3.837 4.011 . 0 0 "[ . 1 . 2]" 1
795 1 47 PHE H 1 48 GLY H 3.000 . 3.500 2.917 2.892 2.939 . 0 0 "[ . 1 . 2]" 1
796 1 47 PHE HA 1 48 GLY H 2.500 . 2.700 2.821 2.815 2.826 0.126 4 0 "[ . 1 . 2]" 1
797 1 47 PHE HB2 1 48 GLY H 3.500 . 5.000 4.342 4.261 4.437 . 0 0 "[ . 1 . 2]" 1
798 1 47 PHE HB3 1 48 GLY H 3.500 . 5.000 4.256 4.186 4.318 . 0 0 "[ . 1 . 2]" 1
799 1 47 PHE QD 1 48 GLY H 4.500 . 6.500 4.822 4.445 4.982 . 0 0 "[ . 1 . 2]" 1
800 1 47 PHE HA 1 48 GLY QA 3.500 . 5.000 4.010 4.003 4.027 . 0 0 "[ . 1 . 2]" 1
801 1 47 PHE H 1 49 GLU H 3.500 . 5.000 4.392 4.292 4.548 . 0 0 "[ . 1 . 2]" 1
802 1 47 PHE HB2 1 49 GLU H 3.500 . 5.000 4.914 4.615 5.005 0.005 16 0 "[ . 1 . 2]" 1
803 1 47 PHE HB3 1 49 GLU H 3.500 . 5.000 4.877 4.404 5.003 0.003 6 0 "[ . 1 . 2]" 1
804 1 47 PHE HA 1 49 GLU H 3.500 . 5.000 4.798 4.698 4.867 . 0 0 "[ . 1 . 2]" 1
805 1 47 PHE H 1 54 ILE MD 4.500 . 6.500 6.382 6.169 6.504 0.004 6 0 "[ . 1 . 2]" 1
806 1 47 PHE HA 1 71 MET ME 4.500 . 6.500 4.947 3.438 6.500 . 1 0 "[ . 1 . 2]" 1
807 1 47 PHE HB3 1 71 MET ME 4.500 . 6.500 3.331 1.955 5.166 . 0 0 "[ . 1 . 2]" 1
808 1 48 GLY H 1 49 GLU H 3.000 . 3.500 2.548 2.465 2.731 . 0 0 "[ . 1 . 2]" 1
809 1 48 GLY H 1 49 GLU QB 4.500 . 6.500 4.407 4.239 4.538 . 0 0 "[ . 1 . 2]" 1
810 1 48 GLY QA 1 49 GLU H 3.500 . 5.000 2.728 2.675 2.771 . 0 0 "[ . 1 . 2]" 1
811 1 48 GLY QA 1 54 ILE MD 4.000 . 5.500 6.484 6.179 7.069 1.569 14 20 [**********-**+******] 1
812 1 49 GLU H 1 49 GLU HA 3.000 . 3.500 2.942 2.936 2.947 . 0 0 "[ . 1 . 2]" 1
813 1 49 GLU H 1 49 GLU QB 3.500 . 4.500 2.541 2.452 2.626 . 0 0 "[ . 1 . 2]" 1
814 1 49 GLU QG 1 50 PRO HA 4.500 . 6.500 5.842 4.652 6.467 . 0 0 "[ . 1 . 2]" 1
815 1 49 GLU QB 1 54 ILE MD 4.500 . 6.500 2.793 2.181 3.621 . 0 0 "[ . 1 . 2]" 1
816 1 49 GLU H 1 67 PHE QD 4.500 . 6.500 5.518 5.177 6.086 . 0 0 "[ . 1 . 2]" 1
817 1 49 GLU QG 1 69 LYS QB 4.500 . 6.500 3.804 2.804 4.793 . 0 0 "[ . 1 . 2]" 1
818 1 50 PRO HA 1 50 PRO QG 3.500 . 5.000 3.190 2.853 3.505 . 0 0 "[ . 1 . 2]" 1
819 1 50 PRO HA 1 51 LEU H 2.500 . 2.700 2.160 2.133 2.186 . 0 0 "[ . 1 . 2]" 1
820 1 50 PRO QB 1 51 LEU H 3.500 . 4.000 3.262 3.100 3.582 . 0 0 "[ . 1 . 2]" 1
821 1 50 PRO QG 1 51 LEU H 4.000 . 5.500 4.648 4.582 4.806 . 0 0 "[ . 1 . 2]" 1
822 1 50 PRO HA 1 51 LEU HA 4.000 . 6.000 4.369 4.339 4.443 . 0 0 "[ . 1 . 2]" 1
823 1 50 PRO QB 1 51 LEU HB3 4.000 . 5.500 5.498 5.431 5.522 0.022 14 0 "[ . 1 . 2]" 1
824 1 50 PRO HA 1 51 LEU MD1 4.000 . 5.500 5.385 5.016 5.545 0.045 20 0 "[ . 1 . 2]" 1
825 1 50 PRO HA 1 51 LEU HG 4.500 . 6.500 4.789 4.471 5.274 . 0 0 "[ . 1 . 2]" 1
826 1 50 PRO QB 1 51 LEU HA 4.500 . 6.500 4.719 4.610 4.847 . 0 0 "[ . 1 . 2]" 1
827 1 50 PRO HA 1 51 LEU HB3 4.500 . 6.500 5.336 4.290 5.628 . 0 0 "[ . 1 . 2]" 1
828 1 50 PRO HA 1 51 LEU HB2 4.500 . 6.500 4.540 4.184 5.644 . 0 0 "[ . 1 . 2]" 1
829 1 50 PRO QB 1 52 SER H 3.500 . 5.000 2.800 2.493 3.686 . 0 0 "[ . 1 . 2]" 1
830 1 50 PRO QB 1 52 SER HB2 4.500 . 6.500 3.725 2.561 4.812 . 0 0 "[ . 1 . 2]" 1
831 1 50 PRO QB 1 53 SER H 3.500 . 5.000 3.205 2.656 3.523 . 0 0 "[ . 1 . 2]" 1
832 1 50 PRO QB 1 53 SER HB2 4.000 . 5.500 3.720 1.989 4.598 . 0 0 "[ . 1 . 2]" 1
833 1 50 PRO QG 1 53 SER HB2 4.000 . 5.500 3.521 1.972 5.431 . 0 0 "[ . 1 . 2]" 1
834 1 50 PRO QG 1 53 SER H 4.000 . 5.500 4.121 3.124 5.081 . 0 0 "[ . 1 . 2]" 1
835 1 51 LEU H 1 51 LEU HA 3.000 . 3.500 2.776 2.754 2.837 . 0 0 "[ . 1 . 2]" 1
836 1 51 LEU H 1 51 LEU HB2 3.000 . 3.500 2.422 2.089 3.519 0.019 16 0 "[ . 1 . 2]" 1
837 1 51 LEU H 1 51 LEU HB3 3.000 . 3.500 3.218 2.207 3.478 . 0 0 "[ . 1 . 2]" 1
838 1 51 LEU H 1 51 LEU HG 3.000 . 3.500 3.031 2.725 3.527 0.027 17 0 "[ . 1 . 2]" 1
839 1 51 LEU H 1 51 LEU MD1 4.000 . 5.500 3.751 3.408 4.005 . 0 0 "[ . 1 . 2]" 1
840 1 51 LEU H 1 51 LEU MD2 4.000 . 5.500 3.693 1.873 4.241 . 0 0 "[ . 1 . 2]" 1
841 1 51 LEU H 1 52 SER H 3.000 . 3.500 2.717 2.531 2.777 . 0 0 "[ . 1 . 2]" 1
842 1 51 LEU HB2 1 52 SER H 3.500 . 5.000 3.298 3.095 3.947 . 0 0 "[ . 1 . 2]" 1
843 1 51 LEU HB3 1 52 SER H 3.000 . 3.500 3.525 3.467 3.631 0.131 17 0 "[ . 1 . 2]" 1
844 1 51 LEU HG 1 52 SER H 3.500 . 5.000 4.376 1.892 5.029 0.029 14 0 "[ . 1 . 2]" 1
845 1 51 LEU MD1 1 52 SER H 4.000 . 5.500 4.568 2.671 4.944 . 0 0 "[ . 1 . 2]" 1
846 1 51 LEU MD2 1 52 SER H 4.000 . 5.500 4.291 1.843 4.793 . 0 0 "[ . 1 . 2]" 1
847 1 51 LEU HA 1 52 SER H 3.500 . 5.000 3.476 3.445 3.510 . 0 0 "[ . 1 . 2]" 1
848 1 51 LEU HA 1 53 SER H 4.000 . 5.000 3.576 3.459 3.681 . 0 0 "[ . 1 . 2]" 1
849 1 51 LEU HA 1 54 ILE MG 4.000 . 5.500 3.937 3.588 4.962 . 0 0 "[ . 1 . 2]" 1
850 1 51 LEU HB3 1 54 ILE MD 4.500 . 6.500 4.137 3.763 4.623 . 0 0 "[ . 1 . 2]" 1
851 1 51 LEU HB2 1 54 ILE MD 4.500 . 6.500 4.088 3.278 5.032 . 0 0 "[ . 1 . 2]" 1
852 1 51 LEU HA 1 54 ILE HG13 4.000 . 6.000 2.634 2.313 3.456 . 0 0 "[ . 1 . 2]" 1
853 1 51 LEU HA 1 54 ILE HG12 4.000 . 6.000 3.992 3.748 4.887 . 0 0 "[ . 1 . 2]" 1
854 1 51 LEU HA 1 54 ILE H 3.500 . 5.000 4.021 3.672 5.001 0.001 16 0 "[ . 1 . 2]" 1
855 1 51 LEU HA 1 54 ILE HB 3.500 . 5.000 2.846 2.256 4.453 . 0 0 "[ . 1 . 2]" 1
856 1 52 SER H 1 52 SER HA 3.000 . 3.500 2.798 2.760 2.893 . 0 0 "[ . 1 . 2]" 1
857 1 52 SER H 1 52 SER QB 3.500 . 4.000 2.395 2.102 2.795 . 0 0 "[ . 1 . 2]" 1
858 1 52 SER H 1 53 SER H 3.000 . 3.500 2.734 2.664 2.781 . 0 0 "[ . 1 . 2]" 1
859 1 52 SER HA 1 53 SER H 3.000 . 3.500 3.401 3.141 3.461 . 0 0 "[ . 1 . 2]" 1
860 1 52 SER H 1 53 SER HB2 4.000 . 6.000 4.954 4.235 5.677 . 0 0 "[ . 1 . 2]" 1
861 1 52 SER HB3 1 53 SER H 3.500 . 5.000 3.838 3.056 4.488 . 0 0 "[ . 1 . 2]" 1
862 1 52 SER HB2 1 53 SER H 3.500 . 5.000 3.854 3.066 4.337 . 0 0 "[ . 1 . 2]" 1
863 1 52 SER HA 1 54 ILE H 3.500 . 4.500 3.908 3.583 4.046 . 0 0 "[ . 1 . 2]" 1
864 1 53 SER HA 1 54 ILE H 2.500 . 2.700 2.763 2.735 2.788 0.088 20 0 "[ . 1 . 2]" 1
865 1 53 SER H 1 53 SER HA 3.000 . 3.500 2.941 2.933 2.943 . 0 0 "[ . 1 . 2]" 1
866 1 53 SER H 1 53 SER HB2 3.000 . 3.500 2.717 2.479 3.092 . 0 0 "[ . 1 . 2]" 1
867 1 53 SER H 1 54 ILE H 2.500 . 2.700 2.728 2.703 2.751 0.051 20 0 "[ . 1 . 2]" 1
868 1 53 SER H 1 54 ILE HB 3.500 . 5.000 4.264 4.058 4.469 . 0 0 "[ . 1 . 2]" 1
869 1 53 SER H 1 54 ILE MD 4.500 . 6.500 4.117 3.814 4.225 . 0 0 "[ . 1 . 2]" 1
870 1 53 SER H 1 54 ILE HG13 3.500 . 5.000 2.917 2.688 3.144 . 0 0 "[ . 1 . 2]" 1
871 1 53 SER H 1 54 ILE MG 4.500 . 6.500 5.303 5.211 5.390 . 0 0 "[ . 1 . 2]" 1
872 1 53 SER HB2 1 54 ILE H 3.500 . 5.000 4.361 4.163 4.549 . 0 0 "[ . 1 . 2]" 1
873 1 53 SER HB3 1 54 ILE H 3.500 . 5.000 4.329 4.141 4.585 . 0 0 "[ . 1 . 2]" 1
874 1 53 SER HA 1 68 SER H 3.500 . 5.000 4.981 4.584 5.007 0.007 20 0 "[ . 1 . 2]" 1
875 1 53 SER HB2 1 68 SER H 4.000 . 6.000 4.673 3.257 5.613 . 0 0 "[ . 1 . 2]" 1
876 1 53 SER HB2 1 68 SER QB 4.500 . 6.500 3.823 2.333 4.754 . 0 0 "[ . 1 . 2]" 1
877 1 53 SER HB3 1 68 SER QB 4.000 . 5.000 2.767 2.017 4.166 . 0 0 "[ . 1 . 2]" 1
878 1 54 ILE H 1 54 ILE HA 3.000 . 3.500 2.942 2.931 2.949 . 0 0 "[ . 1 . 2]" 1
879 1 54 ILE H 1 54 ILE HB 2.500 . 2.700 2.731 2.709 2.750 0.050 14 0 "[ . 1 . 2]" 1
880 1 54 ILE H 1 54 ILE MG 4.000 . 5.500 3.888 3.875 3.893 . 0 0 "[ . 1 . 2]" 1
881 1 54 ILE H 1 54 ILE HG12 3.500 . 5.000 3.989 3.832 4.147 . 0 0 "[ . 1 . 2]" 1
882 1 54 ILE H 1 54 ILE HG13 3.000 . 3.500 2.938 2.749 3.054 . 0 0 "[ . 1 . 2]" 1
883 1 54 ILE H 1 54 ILE MD 4.000 . 5.500 4.166 3.894 4.243 . 0 0 "[ . 1 . 2]" 1
884 1 54 ILE HA 1 55 ALA H 2.500 . 2.700 2.337 2.163 2.358 . 0 0 "[ . 1 . 2]" 1
885 1 54 ILE HB 1 55 ALA H 3.500 . 5.000 3.719 3.613 4.414 . 0 0 "[ . 1 . 2]" 1
886 1 54 ILE H 1 55 ALA H 4.000 . 6.000 4.427 4.007 4.483 . 0 0 "[ . 1 . 2]" 1
887 1 54 ILE MG 1 55 ALA HA 4.000 . 5.500 3.600 3.473 4.278 . 0 0 "[ . 1 . 2]" 1
888 1 54 ILE HG13 1 55 ALA H 3.500 . 5.000 4.915 4.852 5.023 0.023 17 0 "[ . 1 . 2]" 1
889 1 54 ILE MG 1 55 ALA H 4.000 . 5.500 1.975 1.885 3.028 . 0 0 "[ . 1 . 2]" 1
890 1 54 ILE MD 1 55 ALA H 4.500 . 6.500 4.610 4.511 5.408 . 0 0 "[ . 1 . 2]" 1
891 1 54 ILE MG 1 56 ILE HB 4.500 . 6.500 4.344 3.079 5.234 . 0 0 "[ . 1 . 2]" 1
892 1 54 ILE MD 1 65 PHE HA 4.000 . 5.500 5.458 5.021 5.509 0.009 2 0 "[ . 1 . 2]" 1
893 1 54 ILE MG 1 65 PHE HD1 4.000 . 5.000 3.575 1.866 5.162 0.162 19 0 "[ . 1 . 2]" 1
894 1 54 ILE MG 1 65 PHE HB3 4.000 . 5.500 3.376 2.571 4.033 . 0 0 "[ . 1 . 2]" 1
895 1 54 ILE MG 1 65 PHE H 4.500 . 6.500 5.465 4.961 5.740 . 0 0 "[ . 1 . 2]" 1
896 1 54 ILE MD 1 65 PHE HD1 4.000 . 6.000 5.079 2.473 6.521 0.521 4 2 "[ +. 1 . -2]" 1
897 1 54 ILE HA 1 66 ARG H 3.500 . 5.000 4.652 4.238 4.968 . 0 0 "[ . 1 . 2]" 1
898 1 54 ILE MG 1 66 ARG H 3.500 . 4.500 2.946 2.616 3.171 . 0 0 "[ . 1 . 2]" 1
899 1 54 ILE MG 1 67 PHE HA 4.000 . 5.500 3.086 2.830 3.394 . 0 0 "[ . 1 . 2]" 1
900 1 54 ILE MG 1 67 PHE QE 4.500 . 6.500 3.377 2.690 3.989 . 0 0 "[ . 1 . 2]" 1
901 1 54 ILE MG 1 67 PHE H 4.500 . 6.500 4.138 3.767 4.355 . 0 0 "[ . 1 . 2]" 1
902 1 54 ILE HA 1 67 PHE HB3 3.500 . 5.000 4.966 4.729 5.012 0.012 17 0 "[ . 1 . 2]" 1
903 1 54 ILE HA 1 67 PHE QD 4.500 . 6.500 4.423 4.045 4.920 . 0 0 "[ . 1 . 2]" 1
904 1 54 ILE MG 1 67 PHE HD1 4.000 . 6.000 3.658 2.716 4.500 . 0 0 "[ . 1 . 2]" 1
905 1 54 ILE MG 1 67 PHE HB3 4.000 . 6.000 4.916 4.621 5.127 . 0 0 "[ . 1 . 2]" 1
906 1 54 ILE MD 1 68 SER H 4.000 . 5.500 5.249 4.753 5.503 0.003 14 0 "[ . 1 . 2]" 1
907 1 54 ILE MG 1 68 SER H 4.000 . 5.500 4.793 4.431 5.054 . 0 0 "[ . 1 . 2]" 1
908 1 54 ILE HG12 1 68 SER H 4.000 . 6.000 3.936 3.380 4.222 . 0 0 "[ . 1 . 2]" 1
909 1 54 ILE HG13 1 68 SER H 4.000 . 6.000 4.749 4.078 5.118 . 0 0 "[ . 1 . 2]" 1
910 1 54 ILE HA 1 68 SER H 3.500 . 5.000 3.543 3.158 3.938 . 0 0 "[ . 1 . 2]" 1
911 1 54 ILE MG 1 65 PHE HA 4.500 . 6.500 3.263 2.936 3.436 . 0 0 "[ . 1 . 2]" 1
912 1 55 ALA H 1 55 ALA HA 3.000 . 3.500 2.940 2.828 2.950 . 0 0 "[ . 1 . 2]" 1
913 1 55 ALA HA 1 56 ILE H 2.500 . 2.700 2.192 2.141 2.229 . 0 0 "[ . 1 . 2]" 1
914 1 55 ALA H 1 56 ILE H 4.000 . 6.000 4.064 3.823 4.415 . 0 0 "[ . 1 . 2]" 1
915 1 55 ALA MB 1 56 ILE H 4.000 . 5.500 3.415 2.990 3.561 . 0 0 "[ . 1 . 2]" 1
916 1 55 ALA HA 1 56 ILE HA 3.500 . 5.000 4.430 4.391 4.466 . 0 0 "[ . 1 . 2]" 1
917 1 55 ALA HA 1 56 ILE HB 3.500 . 5.000 4.753 4.536 4.847 . 0 0 "[ . 1 . 2]" 1
918 1 55 ALA MB 1 56 ILE HA 4.500 . 6.500 4.250 4.021 4.367 . 0 0 "[ . 1 . 2]" 1
919 1 55 ALA MB 1 57 HIS HD2 4.000 . 5.500 4.229 3.144 5.079 . 0 0 "[ . 1 . 2]" 1
920 1 55 ALA H 1 65 PHE HA 3.500 . 5.000 4.164 3.837 5.001 0.001 17 0 "[ . 1 . 2]" 1
921 1 55 ALA H 1 66 ARG HA 4.000 . 6.000 4.520 4.328 4.718 . 0 0 "[ . 1 . 2]" 1
922 1 55 ALA H 1 66 ARG H 3.000 . 3.500 2.687 2.406 3.319 . 0 0 "[ . 1 . 2]" 1
923 1 55 ALA H 1 66 ARG QB 4.000 . 5.500 3.093 2.760 3.277 . 0 0 "[ . 1 . 2]" 1
924 1 55 ALA H 1 66 ARG QG 4.500 . 6.500 4.234 3.766 4.620 . 0 0 "[ . 1 . 2]" 1
925 1 55 ALA HA 1 66 ARG H 4.000 . 6.000 4.542 4.298 4.732 . 0 0 "[ . 1 . 2]" 1
926 1 55 ALA HA 1 66 ARG QB 4.000 . 5.500 4.267 4.158 4.377 . 0 0 "[ . 1 . 2]" 1
927 1 55 ALA HA 1 66 ARG QG 4.000 . 5.500 5.399 4.837 5.505 0.005 9 0 "[ . 1 . 2]" 1
928 1 55 ALA MB 1 66 ARG H 4.000 . 5.500 2.976 2.493 3.215 . 0 0 "[ . 1 . 2]" 1
929 1 55 ALA MB 1 66 ARG QB 4.000 . 5.500 1.832 1.816 1.899 . 0 0 "[ . 1 . 2]" 1
930 1 55 ALA MB 1 66 ARG QD 4.500 . 6.500 3.704 2.882 4.391 . 0 0 "[ . 1 . 2]" 1
931 1 55 ALA H 1 67 PHE HA 3.500 . 5.000 3.765 3.544 4.016 . 0 0 "[ . 1 . 2]" 1
932 1 55 ALA H 1 67 PHE QD 4.500 . 6.500 5.002 4.190 5.683 . 0 0 "[ . 1 . 2]" 1
933 1 55 ALA MB 1 67 PHE H 4.500 . 6.500 5.145 4.951 5.453 . 0 0 "[ . 1 . 2]" 1
934 1 55 ALA MB 1 68 SER H 4.500 . 6.500 5.715 5.111 6.329 . 0 0 "[ . 1 . 2]" 1
935 1 56 ILE H 1 56 ILE HA 3.000 . 3.500 2.917 2.881 2.950 . 0 0 "[ . 1 . 2]" 1
936 1 56 ILE H 1 56 ILE HB 3.000 . 3.500 2.695 2.601 2.960 . 0 0 "[ . 1 . 2]" 1
937 1 56 ILE H 1 56 ILE HG13 3.500 . 5.000 3.292 2.147 4.787 . 0 0 "[ . 1 . 2]" 1
938 1 56 ILE H 1 56 ILE HG12 3.500 . 5.000 4.072 3.339 4.665 . 0 0 "[ . 1 . 2]" 1
939 1 56 ILE H 1 56 ILE MG 4.000 . 5.500 3.102 1.958 3.904 . 0 0 "[ . 1 . 2]" 1
940 1 56 ILE H 1 56 ILE MD 4.000 . 5.500 3.634 1.971 4.581 . 0 0 "[ . 1 . 2]" 1
941 1 56 ILE HA 1 57 HIS H 2.500 . 2.700 2.196 2.140 2.218 . 0 0 "[ . 1 . 2]" 1
942 1 56 ILE H 1 57 HIS H 3.500 . 5.000 4.513 4.349 4.591 . 0 0 "[ . 1 . 2]" 1
943 1 56 ILE H 1 57 HIS HD2 3.500 . 5.000 4.773 4.143 5.002 0.002 2 0 "[ . 1 . 2]" 1
944 1 56 ILE MG 1 57 HIS H 4.000 . 5.500 2.903 2.072 4.094 . 0 0 "[ . 1 . 2]" 1
945 1 56 ILE H 1 57 HIS HB2 4.000 . 6.000 5.431 4.728 6.002 0.002 8 0 "[ . 1 . 2]" 1
946 1 56 ILE H 1 57 HIS HA 4.000 . 6.000 5.273 5.017 5.515 . 0 0 "[ . 1 . 2]" 1
947 1 56 ILE MG 1 57 HIS HA 4.000 . 5.500 3.664 3.301 4.207 . 0 0 "[ . 1 . 2]" 1
948 1 56 ILE HA 1 64 GLN H 3.500 . 5.000 4.614 4.051 5.001 0.001 17 0 "[ . 1 . 2]" 1
949 1 56 ILE HA 1 64 GLN QB 4.000 . 5.500 4.709 4.230 5.117 . 0 0 "[ . 1 . 2]" 1
950 1 56 ILE HA 1 65 PHE H 4.000 . 6.000 5.274 4.846 5.671 . 0 0 "[ . 1 . 2]" 1
951 1 56 ILE HA 1 65 PHE HA 3.000 . 3.500 3.098 2.689 3.500 . 0 0 "[ . 1 . 2]" 1
952 1 56 ILE HG13 1 65 PHE HA 4.000 . 6.000 4.587 3.855 5.591 . 0 0 "[ . 1 . 2]" 1
953 1 56 ILE HA 1 66 ARG H 3.500 . 5.000 3.932 3.419 4.293 . 0 0 "[ . 1 . 2]" 1
954 1 56 ILE HB 1 65 PHE QD 4.500 . 6.500 5.220 3.182 6.386 . 0 0 "[ . 1 . 2]" 1
955 1 57 HIS H 1 57 HIS HA 3.000 . 3.500 2.910 2.860 2.946 . 0 0 "[ . 1 . 2]" 1
956 1 57 HIS H 1 57 HIS HB2 3.000 . 3.500 2.726 2.175 3.038 . 0 0 "[ . 1 . 2]" 1
957 1 57 HIS H 1 57 HIS HB3 3.000 . 3.500 3.447 3.271 3.504 0.004 16 0 "[ . 1 . 2]" 1
958 1 57 HIS H 1 57 HIS HD2 3.500 . 5.000 4.479 3.577 5.001 0.001 10 0 "[ . 1 . 2]" 1
959 1 57 HIS HA 1 58 GLN HA 3.500 . 5.000 4.433 4.377 4.458 . 0 0 "[ . 1 . 2]" 1
960 1 57 HIS H 1 64 GLN H 3.000 . 3.500 2.947 2.264 3.378 . 0 0 "[ . 1 . 2]" 1
961 1 57 HIS H 1 64 GLN QB 4.000 . 5.500 3.621 2.925 4.222 . 0 0 "[ . 1 . 2]" 1
962 1 57 HIS HA 1 64 GLN H 4.000 . 6.000 4.770 4.228 5.268 . 0 0 "[ . 1 . 2]" 1
963 1 57 HIS HB2 1 64 GLN H 3.500 . 5.000 3.716 2.198 5.000 . 0 0 "[ . 1 . 2]" 1
964 1 57 HIS HB2 1 64 GLN QB 3.500 . 4.500 2.807 1.965 3.842 . 0 0 "[ . 1 . 2]" 1
965 1 57 HIS HB3 1 64 GLN H 3.500 . 5.000 3.523 3.060 4.129 . 0 0 "[ . 1 . 2]" 1
966 1 57 HIS HB3 1 64 GLN QB 3.500 . 4.500 2.943 2.055 3.658 . 0 0 "[ . 1 . 2]" 1
967 1 57 HIS H 1 66 ARG H 4.000 . 6.000 5.297 4.655 5.812 . 0 0 "[ . 1 . 2]" 1
968 1 57 HIS H 1 65 PHE HA 3.500 . 5.000 4.311 3.919 4.804 . 0 0 "[ . 1 . 2]" 1
969 1 58 GLN HA 1 59 ALA H 2.500 . 2.700 2.313 2.143 2.572 . 0 0 "[ . 1 . 2]" 1
970 1 58 GLN QB 1 59 ALA H 4.000 . 5.500 2.815 2.113 3.690 . 0 0 "[ . 1 . 2]" 1
971 1 58 GLN HA 1 59 ALA HA 3.500 . 5.000 4.518 4.398 4.643 . 0 0 "[ . 1 . 2]" 1
972 1 58 GLN HA 1 59 ALA MB 4.000 . 5.500 3.846 3.749 3.985 . 0 0 "[ . 1 . 2]" 1
973 1 58 GLN HA 1 64 GLN H 4.000 . 6.000 4.084 2.867 5.090 . 0 0 "[ . 1 . 2]" 1
974 1 58 GLN QB 1 64 GLN H 4.500 . 6.500 5.619 3.621 6.430 . 0 0 "[ . 1 . 2]" 1
975 1 58 GLN HA 1 63 THR MG 4.500 . 6.500 3.573 2.495 4.034 . 0 0 "[ . 1 . 2]" 1
976 1 59 ALA HA 1 60 GLY H 2.500 . 2.700 2.471 2.257 2.703 0.003 17 0 "[ . 1 . 2]" 1
977 1 59 ALA H 1 60 GLY H 3.500 . 5.000 2.908 2.285 4.250 . 0 0 "[ . 1 . 2]" 1
978 1 59 ALA H 1 60 GLY QA 4.000 . 4.500 4.207 3.913 4.515 0.015 8 0 "[ . 1 . 2]" 1
979 1 59 ALA HA 1 60 GLY QA 4.000 . 5.500 3.939 3.900 4.000 . 0 0 "[ . 1 . 2]" 1
980 1 59 ALA H 1 62 PHE H 3.500 . 5.000 3.139 2.485 4.349 . 0 0 "[ . 1 . 2]" 1
981 1 59 ALA MB 1 62 PHE H 4.000 . 5.500 3.911 3.361 4.655 . 0 0 "[ . 1 . 2]" 1
982 1 59 ALA MB 1 62 PHE QD 4.000 . 5.500 3.457 2.113 4.972 . 0 0 "[ . 1 . 2]" 1
983 1 59 ALA MB 1 62 PHE HB3 3.500 . 5.000 2.721 1.871 4.163 . 0 0 "[ . 1 . 2]" 1
984 1 59 ALA MB 1 180 ALA HA 4.500 . 6.500 5.047 1.949 6.501 0.001 18 0 "[ . 1 . 2]" 1
985 1 59 ALA H 1 63 THR HA 3.500 . 5.000 4.050 3.065 4.559 . 0 0 "[ . 1 . 2]" 1
986 1 60 GLY H 1 61 GLU H 3.500 . 5.000 3.733 2.415 4.532 . 0 0 "[ . 1 . 2]" 1
987 1 60 GLY QA 1 61 GLU H 4.000 . 5.500 2.260 2.109 2.586 . 0 0 "[ . 1 . 2]" 1
988 1 60 GLY QA 1 62 PHE H 4.000 . 5.500 3.707 3.471 3.924 . 0 0 "[ . 1 . 2]" 1
989 1 61 GLU H 1 61 GLU HB2 3.000 . 3.500 2.994 2.370 3.501 0.001 6 0 "[ . 1 . 2]" 1
990 1 61 GLU H 1 62 PHE QD 4.000 . 5.500 6.043 5.338 6.510 1.010 6 10 "[** .+**-* **. *2]" 1
991 1 61 GLU HB2 1 62 PHE H 3.500 . 5.000 4.110 3.011 4.433 . 0 0 "[ . 1 . 2]" 1
992 1 61 GLU HB3 1 62 PHE H 3.500 . 5.000 4.317 3.631 4.526 . 0 0 "[ . 1 . 2]" 1
993 1 61 GLU H 1 62 PHE H 3.500 . 5.000 2.614 1.999 2.824 . 0 0 "[ . 1 . 2]" 1
994 1 61 GLU HA 1 62 PHE H 3.500 . 5.000 2.957 2.908 3.483 . 0 0 "[ . 1 . 2]" 1
995 1 61 GLU HA 1 62 PHE HA 3.500 . 5.000 4.413 4.372 4.626 . 0 0 "[ . 1 . 2]" 1
996 1 61 GLU HB3 1 121 VAL QG 4.500 . 6.500 5.238 2.816 6.467 . 0 0 "[ . 1 . 2]" 1
997 1 62 PHE H 1 62 PHE HA 3.000 . 3.500 2.927 2.896 2.940 . 0 0 "[ . 1 . 2]" 1
998 1 62 PHE H 1 62 PHE HB2 3.000 . 3.500 3.036 2.429 3.325 . 0 0 "[ . 1 . 2]" 1
999 1 62 PHE H 1 62 PHE HB3 3.000 . 3.500 2.944 2.712 3.152 . 0 0 "[ . 1 . 2]" 1
1000 1 62 PHE HA 1 63 THR H 2.500 . 2.700 2.165 2.141 2.181 . 0 0 "[ . 1 . 2]" 1
1001 1 62 PHE H 1 63 THR H 3.500 . 5.000 4.013 3.798 4.293 . 0 0 "[ . 1 . 2]" 1
1002 1 62 PHE QD 1 63 THR H 4.000 . 5.500 3.740 3.132 4.137 . 0 0 "[ . 1 . 2]" 1
1003 1 62 PHE QB 1 63 THR H 4.500 . 6.500 3.866 3.685 3.968 . 0 0 "[ . 1 . 2]" 1
1004 1 62 PHE HA 1 63 THR HB 4.000 . 6.000 4.715 4.575 4.858 . 0 0 "[ . 1 . 2]" 1
1005 1 62 PHE QD 1 179 GLN H 4.500 . 6.500 4.523 3.438 5.375 . 0 0 "[ . 1 . 2]" 1
1006 1 62 PHE QB 1 180 ALA H 4.500 . 6.500 4.966 3.781 6.502 0.002 19 0 "[ . 1 . 2]" 1
1007 1 62 PHE QD 1 180 ALA H 4.500 . 6.500 4.677 3.453 6.143 . 0 0 "[ . 1 . 2]" 1
1008 1 63 THR H 1 63 THR HA 3.000 . 3.500 2.938 2.922 2.948 . 0 0 "[ . 1 . 2]" 1
1009 1 63 THR H 1 63 THR HB 2.500 . 2.700 2.647 2.509 2.707 0.007 8 0 "[ . 1 . 2]" 1
1010 1 63 THR H 1 63 THR MG 4.000 . 5.500 3.856 3.800 3.898 . 0 0 "[ . 1 . 2]" 1
1011 1 63 THR HA 1 64 GLN H 2.500 . 2.700 2.145 2.137 2.173 . 0 0 "[ . 1 . 2]" 1
1012 1 63 THR HB 1 64 GLN H 3.500 . 5.000 4.239 3.973 4.354 . 0 0 "[ . 1 . 2]" 1
1013 1 63 THR MG 1 65 PHE H 4.000 . 5.500 4.258 4.026 4.612 . 0 0 "[ . 1 . 2]" 1
1014 1 64 GLN H 1 64 GLN HA 3.000 . 3.500 2.926 2.923 2.944 . 0 0 "[ . 1 . 2]" 1
1015 1 64 GLN H 1 64 GLN QB 3.500 . 4.000 2.309 2.209 2.606 . 0 0 "[ . 1 . 2]" 1
1016 1 64 GLN HA 1 65 PHE H 2.500 . 2.700 2.145 2.142 2.160 . 0 0 "[ . 1 . 2]" 1
1017 1 64 GLN QB 1 65 PHE H 3.500 . 4.000 3.624 3.245 3.867 . 0 0 "[ . 1 . 2]" 1
1018 1 64 GLN H 1 65 PHE HA 4.000 . 6.000 5.066 5.007 5.117 . 0 0 "[ . 1 . 2]" 1
1019 1 64 GLN HE21 1 65 PHE H 3.500 . 5.000 4.465 2.453 5.001 0.001 15 0 "[ . 1 . 2]" 1
1020 1 64 GLN QG 1 65 PHE HA 4.500 . 6.500 5.365 4.403 6.041 . 0 0 "[ . 1 . 2]" 1
1021 1 65 PHE H 1 65 PHE HA 3.000 . 3.500 2.930 2.913 2.948 . 0 0 "[ . 1 . 2]" 1
1022 1 65 PHE H 1 65 PHE HB2 3.000 . 3.500 2.261 2.201 2.417 . 0 0 "[ . 1 . 2]" 1
1023 1 65 PHE H 1 65 PHE HB3 3.000 . 3.500 3.447 3.337 3.507 0.007 17 0 "[ . 1 . 2]" 1
1024 1 65 PHE HA 1 66 ARG H 2.500 . 2.700 2.142 2.140 2.146 . 0 0 "[ . 1 . 2]" 1
1025 1 65 PHE H 1 66 ARG H 3.500 . 5.000 4.312 4.199 4.355 . 0 0 "[ . 1 . 2]" 1
1026 1 65 PHE HB2 1 66 ARG H 3.500 . 5.000 4.549 4.522 4.573 . 0 0 "[ . 1 . 2]" 1
1027 1 65 PHE HB3 1 66 ARG H 3.500 . 4.000 3.724 3.677 3.789 . 0 0 "[ . 1 . 2]" 1
1028 1 65 PHE QD 1 66 ARG H 4.000 . 5.500 3.930 2.957 4.344 . 0 0 "[ . 1 . 2]" 1
1029 1 65 PHE HA 1 66 ARG HA 3.500 . 5.000 4.395 4.393 4.399 . 0 0 "[ . 1 . 2]" 1
1030 1 65 PHE H 1 67 PHE QE 4.000 . 5.500 5.401 4.724 5.505 0.005 16 0 "[ . 1 . 2]" 1
1031 1 66 ARG H 1 66 ARG QB 3.500 . 4.000 2.454 2.352 2.703 . 0 0 "[ . 1 . 2]" 1
1032 1 66 ARG H 1 66 ARG QG 4.000 . 5.500 3.668 2.451 4.082 . 0 0 "[ . 1 . 2]" 1
1033 1 66 ARG H 1 66 ARG QD 4.000 . 5.500 4.547 4.239 4.748 . 0 0 "[ . 1 . 2]" 1
1034 1 66 ARG HA 1 67 PHE H 2.500 . 2.700 2.172 2.165 2.175 . 0 0 "[ . 1 . 2]" 1
1035 1 66 ARG H 1 67 PHE H 3.500 . 5.000 4.141 4.081 4.202 . 0 0 "[ . 1 . 2]" 1
1036 1 66 ARG H 1 67 PHE HA 3.500 . 5.000 4.851 4.738 4.955 . 0 0 "[ . 1 . 2]" 1
1037 1 66 ARG QB 1 67 PHE H 4.000 . 5.500 3.860 3.569 3.958 . 0 0 "[ . 1 . 2]" 1
1038 1 66 ARG QG 1 67 PHE H 4.000 . 5.500 3.569 3.197 4.580 . 0 0 "[ . 1 . 2]" 1
1039 1 66 ARG HA 1 67 PHE HA 3.500 . 5.000 4.426 4.419 4.431 . 0 0 "[ . 1 . 2]" 1
1040 1 66 ARG HA 1 67 PHE HB2 3.500 . 5.000 4.445 4.391 4.505 . 0 0 "[ . 1 . 2]" 1
1041 1 67 PHE H 1 67 PHE HA 3.000 . 3.500 2.884 2.860 2.902 . 0 0 "[ . 1 . 2]" 1
1042 1 67 PHE H 1 67 PHE HB2 3.000 . 3.500 2.299 2.248 2.355 . 0 0 "[ . 1 . 2]" 1
1043 1 67 PHE H 1 67 PHE HB3 3.000 . 3.500 3.552 3.531 3.572 0.072 11 0 "[ . 1 . 2]" 1
1044 1 67 PHE HA 1 68 SER H 2.500 . 2.700 2.271 2.148 2.376 . 0 0 "[ . 1 . 2]" 1
1045 1 67 PHE HB2 1 68 SER H 3.500 . 5.000 4.019 3.749 4.313 . 0 0 "[ . 1 . 2]" 1
1046 1 67 PHE HB3 1 68 SER H 3.000 . 3.500 2.827 2.510 3.372 . 0 0 "[ . 1 . 2]" 1
1047 1 67 PHE QD 1 68 SER H 4.000 . 5.500 3.853 3.435 4.424 . 0 0 "[ . 1 . 2]" 1
1048 1 67 PHE H 1 68 SER H 4.000 . 6.000 4.584 4.492 4.613 . 0 0 "[ . 1 . 2]" 1
1049 1 67 PHE H 1 69 LYS H 4.000 . 6.000 5.072 4.587 5.454 . 0 0 "[ . 1 . 2]" 1
1050 1 67 PHE HA 1 69 LYS H 4.000 . 6.000 3.945 3.650 4.037 . 0 0 "[ . 1 . 2]" 1
1051 1 67 PHE HB2 1 69 LYS H 3.500 . 5.000 3.592 3.014 3.977 . 0 0 "[ . 1 . 2]" 1
1052 1 67 PHE HB3 1 69 LYS H 3.000 . 3.500 2.511 2.360 2.661 . 0 0 "[ . 1 . 2]" 1
1053 1 67 PHE HB2 1 69 LYS QB 4.500 . 6.500 5.031 4.667 5.530 . 0 0 "[ . 1 . 2]" 1
1054 1 67 PHE HB2 1 70 LYS HA 3.500 . 5.000 4.719 4.235 5.003 0.003 4 0 "[ . 1 . 2]" 1
1055 1 68 SER H 1 68 SER HA 3.000 . 3.500 2.878 2.812 2.928 . 0 0 "[ . 1 . 2]" 1
1056 1 68 SER H 1 68 SER QB 3.500 . 4.000 2.382 2.153 2.960 . 0 0 "[ . 1 . 2]" 1
1057 1 68 SER H 1 69 LYS H 3.000 . 3.500 2.603 2.424 2.814 . 0 0 "[ . 1 . 2]" 1
1058 1 68 SER H 1 69 LYS HB2 3.500 . 5.000 4.809 4.481 5.004 0.004 8 0 "[ . 1 . 2]" 1
1059 1 68 SER H 1 69 LYS HB3 3.500 . 5.000 4.745 4.343 5.007 0.007 18 0 "[ . 1 . 2]" 1
1060 1 68 SER HA 1 69 LYS H 3.500 . 5.000 3.277 2.931 3.484 . 0 0 "[ . 1 . 2]" 1
1061 1 68 SER QB 1 69 LYS H 3.500 . 4.000 3.318 2.853 4.019 0.019 11 0 "[ . 1 . 2]" 1
1062 1 68 SER H 1 69 LYS QG 4.500 . 6.500 6.138 5.888 6.334 . 0 0 "[ . 1 . 2]" 1
1063 1 68 SER QB 1 69 LYS HA 4.500 . 6.500 4.433 4.053 4.943 . 0 0 "[ . 1 . 2]" 1
1064 1 68 SER QB 1 69 LYS HB3 4.500 . 6.500 4.746 4.476 5.400 . 0 0 "[ . 1 . 2]" 1
1065 1 68 SER QB 1 69 LYS HB2 4.000 . 5.500 3.930 3.566 4.710 . 0 0 "[ . 1 . 2]" 1
1066 1 69 LYS H 1 69 LYS HA 3.000 . 3.500 2.912 2.858 2.948 . 0 0 "[ . 1 . 2]" 1
1067 1 69 LYS H 1 69 LYS HB2 3.000 . 3.500 3.092 2.630 3.464 . 0 0 "[ . 1 . 2]" 1
1068 1 69 LYS H 1 69 LYS HB3 3.000 . 3.000 2.828 2.597 3.013 0.013 9 0 "[ . 1 . 2]" 1
1069 1 69 LYS H 1 69 LYS QG 4.000 . 5.000 4.145 4.041 4.252 . 0 0 "[ . 1 . 2]" 1
1070 1 69 LYS H 1 69 LYS QE 4.500 . 6.500 5.878 4.634 6.482 . 0 0 "[ . 1 . 2]" 1
1071 1 69 LYS H 1 70 LYS H 3.500 . 5.000 4.383 3.926 4.541 . 0 0 "[ . 1 . 2]" 1
1072 1 69 LYS HA 1 70 LYS H 2.500 . 2.700 2.319 2.140 2.438 . 0 0 "[ . 1 . 2]" 1
1073 1 69 LYS HB2 1 70 LYS H 3.500 . 5.000 3.983 3.806 4.373 . 0 0 "[ . 1 . 2]" 1
1074 1 69 LYS HB3 1 70 LYS H 3.500 . 5.000 3.700 3.346 4.321 . 0 0 "[ . 1 . 2]" 1
1075 1 69 LYS QG 1 70 LYS H 4.000 . 5.500 2.129 1.896 2.999 . 0 0 "[ . 1 . 2]" 1
1076 1 69 LYS HB3 1 70 LYS HA 4.000 . 6.000 4.859 4.650 5.060 . 0 0 "[ . 1 . 2]" 1
1077 1 69 LYS QG 1 71 MET H 4.000 . 5.500 4.370 3.638 5.503 0.003 18 0 "[ . 1 . 2]" 1
1078 1 69 LYS HB3 1 71 MET HA 4.000 . 6.000 5.347 4.948 5.888 . 0 0 "[ . 1 . 2]" 1
1079 1 69 LYS QE 1 70 LYS H 4.000 . 5.500 3.803 1.877 5.261 . 0 0 "[ . 1 . 2]" 1
1080 1 70 LYS H 1 70 LYS HA 3.000 . 3.500 2.919 2.899 2.946 . 0 0 "[ . 1 . 2]" 1
1081 1 70 LYS H 1 70 LYS QB 3.500 . 4.000 2.552 2.160 3.036 . 0 0 "[ . 1 . 2]" 1
1082 1 70 LYS H 1 70 LYS QG 3.500 . 4.000 2.726 1.991 4.006 0.006 17 0 "[ . 1 . 2]" 1
1083 1 70 LYS H 1 70 LYS QE 4.500 . 6.500 4.466 3.524 5.424 . 0 0 "[ . 1 . 2]" 1
1084 1 70 LYS H 1 71 MET H 3.500 . 5.000 4.241 4.074 4.419 . 0 0 "[ . 1 . 2]" 1
1085 1 70 LYS H 1 71 MET HA 3.500 . 5.000 5.020 5.001 5.042 0.042 2 0 "[ . 1 . 2]" 1
1086 1 70 LYS HA 1 71 MET H 2.500 . 2.700 2.179 2.137 2.249 . 0 0 "[ . 1 . 2]" 1
1087 1 70 LYS HA 1 71 MET QB 3.500 . 5.000 4.200 4.047 4.451 . 0 0 "[ . 1 . 2]" 1
1088 1 70 LYS QB 1 71 MET H 4.000 . 5.500 3.579 3.213 4.008 . 0 0 "[ . 1 . 2]" 1
1089 1 70 LYS QD 1 71 MET H 4.000 . 5.500 5.234 4.593 5.508 0.008 6 0 "[ . 1 . 2]" 1
1090 1 70 LYS QG 1 71 MET H 4.500 . 6.500 4.232 3.129 4.654 . 0 0 "[ . 1 . 2]" 1
1091 1 70 LYS HA 1 71 MET HA 3.500 . 5.000 4.422 4.367 4.490 . 0 0 "[ . 1 . 2]" 1
1092 1 70 LYS HA 1 72 ARG H 3.500 . 5.000 3.625 3.365 3.972 . 0 0 "[ . 1 . 2]" 1
1093 1 70 LYS QG 1 72 ARG H 4.500 . 6.500 4.679 2.812 5.819 . 0 0 "[ . 1 . 2]" 1
1094 1 70 LYS QB 1 72 ARG H 4.000 . 5.500 3.647 2.773 4.659 . 0 0 "[ . 1 . 2]" 1
1095 1 70 LYS QB 1 73 PRO HD3 4.500 . 6.500 4.486 2.998 6.524 0.024 6 0 "[ . 1 . 2]" 1
1096 1 71 MET H 1 71 MET HA 3.000 . 3.500 2.872 2.771 2.941 . 0 0 "[ . 1 . 2]" 1
1097 1 71 MET H 1 71 MET QB 3.000 . 3.500 2.267 2.161 2.792 . 0 0 "[ . 1 . 2]" 1
1098 1 71 MET H 1 72 ARG H 3.000 . 3.500 2.463 2.308 2.769 . 0 0 "[ . 1 . 2]" 1
1099 1 71 MET H 1 72 ARG HA 3.500 . 5.000 4.977 4.648 5.023 0.023 18 0 "[ . 1 . 2]" 1
1100 1 71 MET HA 1 72 ARG H 3.500 . 5.000 3.451 2.979 3.564 . 0 0 "[ . 1 . 2]" 1
1101 1 71 MET QB 1 72 ARG H 4.000 . 5.500 2.875 2.236 4.000 . 0 0 "[ . 1 . 2]" 1
1102 1 71 MET QG 1 72 ARG H 4.000 . 5.500 4.347 3.422 4.722 . 0 0 "[ . 1 . 2]" 1
1103 1 71 MET QG 1 72 ARG HA 4.500 . 6.500 5.543 4.553 6.265 . 0 0 "[ . 1 . 2]" 1
1104 1 72 ARG H 1 72 ARG QB 3.500 . 4.500 2.629 2.276 2.926 . 0 0 "[ . 1 . 2]" 1
1105 1 72 ARG H 1 72 ARG QG 3.500 . 4.500 3.739 3.160 4.351 . 0 0 "[ . 1 . 2]" 1
1106 1 72 ARG H 1 72 ARG QD 4.000 . 5.500 4.348 2.642 5.412 . 0 0 "[ . 1 . 2]" 1
1107 1 72 ARG HA 1 73 PRO HD2 3.500 . 4.500 2.376 2.022 2.656 . 0 0 "[ . 1 . 2]" 1
1108 1 72 ARG HA 1 73 PRO HD3 3.500 . 4.500 2.891 2.418 3.294 . 0 0 "[ . 1 . 2]" 1
1109 1 72 ARG H 1 73 PRO HD2 4.000 . 6.000 3.757 2.831 4.558 . 0 0 "[ . 1 . 2]" 1
1110 1 72 ARG H 1 73 PRO HD3 4.000 . 6.000 2.894 2.225 3.873 . 0 0 "[ . 1 . 2]" 1
1111 1 72 ARG HA 1 74 ASP H 3.000 . 3.500 3.358 3.245 3.517 0.017 8 0 "[ . 1 . 2]" 1
1112 1 72 ARG QB 1 74 ASP H 4.000 . 5.500 4.163 3.389 4.897 . 0 0 "[ . 1 . 2]" 1
1113 1 72 ARG QB 1 75 LEU H 4.000 . 5.500 3.553 2.613 5.219 . 0 0 "[ . 1 . 2]" 1
1114 1 72 ARG HA 1 75 LEU HG 4.000 . 6.000 4.464 2.825 5.692 . 0 0 "[ . 1 . 2]" 1
1115 1 73 PRO HA 1 73 PRO HD2 3.500 . 5.000 4.029 3.929 4.102 . 0 0 "[ . 1 . 2]" 1
1116 1 73 PRO HA 1 73 PRO HD3 3.500 . 5.000 3.655 3.547 3.843 . 0 0 "[ . 1 . 2]" 1
1117 1 73 PRO HA 1 74 ASP H 3.500 . 5.000 3.443 2.894 3.542 . 0 0 "[ . 1 . 2]" 1
1118 1 73 PRO QG 1 74 ASP H 4.000 . 5.500 3.209 2.261 4.131 . 0 0 "[ . 1 . 2]" 1
1119 1 73 PRO HD2 1 74 ASP H 3.500 . 5.000 2.825 2.617 3.648 . 0 0 "[ . 1 . 2]" 1
1120 1 73 PRO HB2 1 74 ASP H 3.500 . 5.000 3.299 2.567 4.359 . 0 0 "[ . 1 . 2]" 1
1121 1 73 PRO HD3 1 74 ASP H 3.500 . 5.000 3.969 3.822 4.478 . 0 0 "[ . 1 . 2]" 1
1122 1 73 PRO HA 1 75 LEU H 3.500 . 5.000 4.378 3.612 5.020 0.020 6 0 "[ . 1 . 2]" 1
1123 1 73 PRO HD2 1 75 LEU H 4.000 . 6.000 4.381 3.181 5.520 . 0 0 "[ . 1 . 2]" 1
1124 1 73 PRO HD3 1 75 LEU H 4.000 . 6.000 5.341 4.795 6.004 0.004 10 0 "[ . 1 . 2]" 1
1125 1 74 ASP H 1 74 ASP HA 3.000 . 3.500 2.787 2.279 2.920 . 0 0 "[ . 1 . 2]" 1
1126 1 74 ASP H 1 74 ASP QB 3.500 . 4.000 2.602 2.130 3.366 . 0 0 "[ . 1 . 2]" 1
1127 1 74 ASP H 1 75 LEU H 3.000 . 3.500 2.454 1.949 3.093 . 0 0 "[ . 1 . 2]" 1
1128 1 74 ASP H 1 75 LEU HB2 3.500 . 5.000 4.413 3.925 4.881 . 0 0 "[ . 1 . 2]" 1
1129 1 74 ASP H 1 75 LEU HG 4.000 . 6.000 4.058 2.208 5.603 . 0 0 "[ . 1 . 2]" 1
1130 1 74 ASP HA 1 75 LEU H 3.000 . 3.500 3.186 2.685 3.507 0.007 16 0 "[ . 1 . 2]" 1
1131 1 74 ASP QB 1 75 LEU H 4.000 . 5.500 3.374 2.734 4.036 . 0 0 "[ . 1 . 2]" 1
1132 1 74 ASP H 1 75 LEU HB3 4.000 . 6.000 5.715 4.916 6.012 0.012 8 0 "[ . 1 . 2]" 1
1133 1 74 ASP H 1 75 LEU MD1 4.500 . 6.500 4.806 3.216 5.664 . 0 0 "[ . 1 . 2]" 1
1134 1 75 LEU H 1 75 LEU HA 3.000 . 3.500 2.879 2.796 2.950 . 0 0 "[ . 1 . 2]" 1
1135 1 75 LEU H 1 75 LEU HB2 3.000 . 3.500 2.471 2.060 2.882 . 0 0 "[ . 1 . 2]" 1
1136 1 75 LEU H 1 75 LEU HB3 3.500 . 5.000 3.618 3.302 3.873 . 0 0 "[ . 1 . 2]" 1
1137 1 75 LEU H 1 75 LEU HG 3.000 . 3.500 2.815 2.110 3.503 0.003 2 0 "[ . 1 . 2]" 1
1138 1 75 LEU H 1 75 LEU MD1 4.000 . 5.500 3.766 3.292 4.407 . 0 0 "[ . 1 . 2]" 1
1139 1 75 LEU H 1 75 LEU MD2 4.000 . 5.500 3.759 3.080 4.245 . 0 0 "[ . 1 . 2]" 1
1140 1 75 LEU H 1 76 THR H 3.500 . 5.000 4.443 3.876 4.634 . 0 0 "[ . 1 . 2]" 1
1141 1 75 LEU HA 1 76 THR H 2.500 . 2.700 2.352 2.141 2.706 0.006 11 0 "[ . 1 . 2]" 1
1142 1 75 LEU HB2 1 76 THR H 3.500 . 5.000 3.843 2.591 4.483 . 0 0 "[ . 1 . 2]" 1
1143 1 75 LEU HB3 1 76 THR H 3.500 . 5.000 2.863 1.992 3.902 . 0 0 "[ . 1 . 2]" 1
1144 1 75 LEU MD2 1 76 THR H 4.000 . 5.500 3.206 1.889 3.898 . 0 0 "[ . 1 . 2]" 1
1145 1 75 LEU HA 1 76 THR HA 3.500 . 5.000 4.442 4.350 4.629 . 0 0 "[ . 1 . 2]" 1
1146 1 75 LEU HA 1 77 GLY H 4.000 . 5.500 4.316 3.468 5.591 0.091 13 0 "[ . 1 . 2]" 1
1147 1 76 THR H 1 76 THR HA 3.000 . 3.500 2.897 2.794 2.949 . 0 0 "[ . 1 . 2]" 1
1148 1 76 THR H 1 76 THR HB 3.000 . 3.500 2.909 2.495 3.520 0.020 13 0 "[ . 1 . 2]" 1
1149 1 76 THR H 1 76 THR MG 4.000 . 5.500 3.755 2.865 4.067 . 0 0 "[ . 1 . 2]" 1
1150 1 76 THR H 1 77 GLY H 4.000 . 6.000 2.388 1.974 4.383 . 0 0 "[ . 1 . 2]" 1
1151 1 76 THR HA 1 77 GLY H 4.000 . 6.000 3.468 2.097 3.573 . 0 0 "[ . 1 . 2]" 1
1152 1 76 THR HB 1 77 GLY H 3.000 . 3.500 2.625 1.995 3.557 0.057 13 0 "[ . 1 . 2]" 1
1153 1 76 THR MG 1 77 GLY H 4.000 . 5.500 3.707 2.897 4.075 . 0 0 "[ . 1 . 2]" 1
1154 1 76 THR HB 1 77 GLY HA3 3.500 . 5.000 4.350 3.934 5.026 0.026 13 0 "[ . 1 . 2]" 1
1155 1 76 THR HB 1 77 GLY HA2 3.500 . 5.000 4.829 4.602 5.030 0.030 13 0 "[ . 1 . 2]" 1
1156 1 77 GLY H 1 77 GLY HA2 3.000 . 3.500 2.603 2.389 2.780 . 0 0 "[ . 1 . 2]" 1
1157 1 77 GLY H 1 77 GLY HA3 3.000 . 3.500 2.893 2.298 2.957 . 0 0 "[ . 1 . 2]" 1
1158 1 77 GLY H 1 78 MET H 4.000 . 6.000 3.860 3.068 4.576 . 0 0 "[ . 1 . 2]" 1
1159 1 77 GLY HA2 1 78 MET H 3.000 . 3.500 2.221 2.140 2.534 . 0 0 "[ . 1 . 2]" 1
1160 1 77 GLY HA3 1 78 MET H 3.000 . 3.500 3.135 2.588 3.484 . 0 0 "[ . 1 . 2]" 1
1161 1 77 GLY H 1 78 MET QB 4.500 . 6.500 4.916 4.102 5.898 . 0 0 "[ . 1 . 2]" 1
1162 1 77 GLY HA3 1 78 MET HA 4.000 . 6.000 4.534 4.342 4.611 . 0 0 "[ . 1 . 2]" 1
1163 1 78 MET H 1 78 MET QB 3.500 . 4.000 2.352 2.181 2.719 . 0 0 "[ . 1 . 2]" 1
1164 1 78 MET H 1 78 MET QG 3.500 . 4.000 3.502 3.037 4.015 0.015 4 0 "[ . 1 . 2]" 1
1165 1 78 MET HA 1 79 VAL H 3.500 . 5.000 2.424 2.201 2.479 . 0 0 "[ . 1 . 2]" 1
1166 1 78 MET QB 1 79 VAL H 3.500 . 4.000 2.618 2.252 3.596 . 0 0 "[ . 1 . 2]" 1
1167 1 78 MET HG2 1 79 VAL H 3.500 . 5.000 3.610 1.997 4.624 . 0 0 "[ . 1 . 2]" 1
1168 1 78 MET HA 1 79 VAL HA 4.000 . 6.000 4.374 4.319 4.456 . 0 0 "[ . 1 . 2]" 1
1169 1 78 MET HA 1 79 VAL MG2 4.500 . 6.500 3.305 3.160 3.575 . 0 0 "[ . 1 . 2]" 1
1170 1 78 MET QB 1 160 VAL H 3.500 . 5.000 4.030 3.283 4.949 . 0 0 "[ . 1 . 2]" 1
1171 1 79 VAL H 1 79 VAL HA 3.000 . 3.500 2.928 2.874 2.950 . 0 0 "[ . 1 . 2]" 1
1172 1 79 VAL H 1 79 VAL HB 3.000 . 3.500 2.649 2.596 2.796 . 0 0 "[ . 1 . 2]" 1
1173 1 79 VAL H 1 79 VAL MG1 4.000 . 5.500 3.839 3.784 3.919 . 0 0 "[ . 1 . 2]" 1
1174 1 79 VAL H 1 79 VAL MG2 4.000 . 5.500 2.371 2.009 2.679 . 0 0 "[ . 1 . 2]" 1
1175 1 79 VAL HA 1 79 VAL HB 3.000 . 3.500 3.019 3.017 3.022 . 0 0 "[ . 1 . 2]" 1
1176 1 79 VAL H 1 80 LEU H 3.500 . 5.000 4.498 4.281 4.583 . 0 0 "[ . 1 . 2]" 1
1177 1 79 VAL HA 1 80 LEU H 2.500 . 2.700 2.203 2.144 2.216 . 0 0 "[ . 1 . 2]" 1
1178 1 79 VAL MG1 1 80 LEU H 3.500 . 4.500 2.257 1.998 3.104 . 0 0 "[ . 1 . 2]" 1
1179 1 79 VAL MG2 1 80 LEU H 3.500 . 4.500 4.046 3.996 4.260 . 0 0 "[ . 1 . 2]" 1
1180 1 79 VAL HB 1 80 LEU H 4.000 . 5.000 3.944 3.868 4.344 . 0 0 "[ . 1 . 2]" 1
1181 1 79 VAL HA 1 80 LEU HB2 3.500 . 5.000 4.275 4.074 4.667 . 0 0 "[ . 1 . 2]" 1
1182 1 79 VAL HA 1 80 LEU HB3 4.000 . 6.000 5.023 4.535 5.656 . 0 0 "[ . 1 . 2]" 1
1183 1 79 VAL HB 1 80 LEU HA 4.000 . 6.000 4.710 4.554 4.961 . 0 0 "[ . 1 . 2]" 1
1184 1 79 VAL MG1 1 80 LEU HA 4.500 . 6.500 3.796 3.633 4.126 . 0 0 "[ . 1 . 2]" 1
1185 1 79 VAL MG1 1 81 GLU H 4.500 . 6.500 4.286 3.743 4.820 . 0 0 "[ . 1 . 2]" 1
1186 1 79 VAL MG1 1 81 GLU HA 4.000 . 5.500 4.145 3.900 4.400 . 0 0 "[ . 1 . 2]" 1
1187 1 79 VAL H 1 159 VAL HB 4.000 . 6.000 6.005 6.000 6.013 0.013 2 0 "[ . 1 . 2]" 1
1188 1 79 VAL H 1 159 VAL MG1 4.000 . 5.500 3.657 3.392 4.116 . 0 0 "[ . 1 . 2]" 1
1189 1 79 VAL MG2 1 159 VAL MG1 4.500 . 6.500 3.581 3.364 3.794 . 0 0 "[ . 1 . 2]" 1
1190 1 79 VAL MG1 1 159 VAL HA 4.500 . 6.500 4.411 3.600 5.035 . 0 0 "[ . 1 . 2]" 1
1191 1 79 VAL HB 1 159 VAL HA 3.500 . 5.000 3.129 2.068 3.858 . 0 0 "[ . 1 . 2]" 1
1192 1 79 VAL HB 1 160 VAL H 4.000 . 6.000 4.099 3.283 4.530 . 0 0 "[ . 1 . 2]" 1
1193 1 79 VAL MG2 1 160 VAL H 4.000 . 5.500 5.170 4.568 5.500 0.000 11 0 "[ . 1 . 2]" 1
1194 1 79 VAL HB 1 159 VAL MG1 4.000 . 5.500 2.067 1.944 2.383 . 0 0 "[ . 1 . 2]" 1
1195 1 79 VAL HB 1 159 VAL MG2 4.000 . 5.500 2.435 1.963 4.878 . 0 0 "[ . 1 . 2]" 1
1196 1 80 LEU H 1 80 LEU HA 3.000 . 3.500 2.942 2.892 2.948 . 0 0 "[ . 1 . 2]" 1
1197 1 80 LEU H 1 80 LEU HB2 3.000 . 3.500 2.666 2.234 3.114 . 0 0 "[ . 1 . 2]" 1
1198 1 80 LEU H 1 80 LEU HB3 3.500 . 5.000 2.993 2.544 3.772 . 0 0 "[ . 1 . 2]" 1
1199 1 80 LEU H 1 81 GLU H 3.500 . 5.000 4.353 4.092 4.590 . 0 0 "[ . 1 . 2]" 1
1200 1 80 LEU H 1 81 GLU QG 4.000 . 5.500 5.047 4.548 5.502 0.002 1 0 "[ . 1 . 2]" 1
1201 1 80 LEU HA 1 81 GLU H 2.500 . 2.700 2.172 2.141 2.241 . 0 0 "[ . 1 . 2]" 1
1202 1 80 LEU MD1 1 81 GLU H 4.000 . 5.500 4.249 2.106 5.185 . 0 0 "[ . 1 . 2]" 1
1203 1 80 LEU HB3 1 81 GLU H 3.500 . 5.000 3.835 2.895 4.331 . 0 0 "[ . 1 . 2]" 1
1204 1 80 LEU H 1 81 GLU HA 4.000 . 6.000 4.938 4.739 5.294 . 0 0 "[ . 1 . 2]" 1
1205 1 80 LEU HB2 1 81 GLU H 3.500 . 5.000 4.336 4.085 4.573 . 0 0 "[ . 1 . 2]" 1
1206 1 80 LEU HA 1 159 VAL HA 3.500 . 5.000 4.923 4.511 5.007 0.007 14 0 "[ . 1 . 2]" 1
1207 1 80 LEU HA 1 160 VAL H 3.000 . 3.500 3.282 2.927 3.503 0.003 20 0 "[ . 1 . 2]" 1
1208 1 80 LEU HA 1 161 CYS HA 3.500 . 5.000 4.435 3.931 4.938 . 0 0 "[ . 1 . 2]" 1
1209 1 80 LEU MD2 1 161 CYS HA 4.000 . 5.500 4.218 2.819 5.495 . 0 0 "[ . 1 . 2]" 1
1210 1 81 GLU H 1 81 GLU HA 3.000 . 3.500 2.928 2.891 2.948 . 0 0 "[ . 1 . 2]" 1
1211 1 81 GLU H 1 81 GLU QB 3.500 . 4.000 2.286 2.169 2.463 . 0 0 "[ . 1 . 2]" 1
1212 1 81 GLU HA 1 82 GLU H 2.500 . 2.700 2.188 2.139 2.410 . 0 0 "[ . 1 . 2]" 1
1213 1 81 GLU QB 1 82 GLU H 4.000 . 5.500 3.344 2.432 3.738 . 0 0 "[ . 1 . 2]" 1
1214 1 81 GLU QG 1 82 GLU H 4.000 . 5.500 3.897 2.351 4.330 . 0 0 "[ . 1 . 2]" 1
1215 1 81 GLU QB 1 83 GLY H 4.500 . 6.500 3.699 3.379 5.001 . 0 0 "[ . 1 . 2]" 1
1216 1 81 GLU H 1 159 VAL MG1 4.000 . 5.500 2.715 2.224 4.275 . 0 0 "[ . 1 . 2]" 1
1217 1 81 GLU QB 1 159 VAL MG1 4.500 . 6.500 2.549 1.933 3.847 . 0 0 "[ . 1 . 2]" 1
1218 1 81 GLU QB 1 161 CYS HA 4.000 . 5.500 3.267 2.757 4.181 . 0 0 "[ . 1 . 2]" 1
1219 1 81 GLU QB 1 161 CYS HB3 4.000 . 5.500 5.229 3.956 5.501 0.001 18 0 "[ . 1 . 2]" 1
1220 1 81 GLU H 1 161 CYS HA 3.000 . 3.500 3.132 2.639 3.500 0.000 12 0 "[ . 1 . 2]" 1
1221 1 81 GLU H 1 161 CYS HB2 4.000 . 6.000 5.466 4.825 6.006 0.006 1 0 "[ . 1 . 2]" 1
1222 1 81 GLU H 1 161 CYS HB3 4.000 . 6.000 5.752 5.127 6.003 0.003 14 0 "[ . 1 . 2]" 1
1223 1 82 GLU H 1 82 GLU HA 3.500 2.300 4.000 2.887 2.824 2.948 . 0 0 "[ . 1 . 2]" 1
1224 1 82 GLU H 1 82 GLU QB 3.500 . 4.000 2.482 2.179 3.067 . 0 0 "[ . 1 . 2]" 1
1225 1 82 GLU H 1 83 GLY H 3.500 . 5.000 3.874 3.512 4.451 . 0 0 "[ . 1 . 2]" 1
1226 1 82 GLU HA 1 83 GLY H 2.500 . 2.700 2.354 2.147 2.469 . 0 0 "[ . 1 . 2]" 1
1227 1 82 GLU QB 1 83 GLY H 4.000 . 6.000 3.870 3.790 4.000 . 0 0 "[ . 1 . 2]" 1
1228 1 82 GLU QG 1 83 GLY H 4.000 . 5.500 4.282 2.714 4.675 . 0 0 "[ . 1 . 2]" 1
1229 1 82 GLU HA 1 83 GLY HA3 3.500 . 5.000 4.361 4.330 4.409 . 0 0 "[ . 1 . 2]" 1
1230 1 82 GLU HA 1 83 GLY HA2 3.500 . 5.000 4.403 4.365 4.467 . 0 0 "[ . 1 . 2]" 1
1231 1 82 GLU HA 1 179 GLN H 4.000 . 6.000 4.167 3.213 5.232 . 0 0 "[ . 1 . 2]" 1
1232 1 82 GLU HA 1 179 GLN HA 4.000 . 6.000 5.386 4.285 6.001 0.001 1 0 "[ . 1 . 2]" 1
1233 1 82 GLU QB 1 179 GLN H 4.000 . 6.000 4.414 3.218 5.702 . 0 0 "[ . 1 . 2]" 1
1234 1 83 GLY H 1 83 GLY HA2 3.000 . 3.500 2.381 2.304 2.432 . 0 0 "[ . 1 . 2]" 1
1235 1 83 GLY H 1 83 GLY HA3 3.000 . 3.500 2.930 2.855 2.951 . 0 0 "[ . 1 . 2]" 1
1236 1 83 GLY H 1 84 CYS H 3.500 . 5.000 4.187 3.245 4.570 . 0 0 "[ . 1 . 2]" 1
1237 1 83 GLY HA2 1 84 CYS H 3.000 . 3.500 2.355 2.142 2.787 . 0 0 "[ . 1 . 2]" 1
1238 1 83 GLY HA3 1 84 CYS H 3.000 . 3.500 2.861 2.359 3.430 . 0 0 "[ . 1 . 2]" 1
1239 1 83 GLY HA3 1 84 CYS HA 3.500 . 5.000 4.373 4.302 4.550 . 0 0 "[ . 1 . 2]" 1
1240 1 83 GLY HA3 1 84 CYS QB 4.500 . 6.500 4.862 4.497 5.265 . 0 0 "[ . 1 . 2]" 1
1241 1 83 GLY HA3 1 111 ILE QG 4.000 . 6.000 4.216 2.657 6.975 0.975 2 1 "[ + . 1 . 2]" 1
1242 1 83 GLY H 1 161 CYS HA 4.000 . 6.000 4.692 3.803 5.689 . 0 0 "[ . 1 . 2]" 1
1243 1 83 GLY H 1 161 CYS HB2 4.000 . 6.000 5.641 4.273 6.002 0.002 10 0 "[ . 1 . 2]" 1
1244 1 83 GLY H 1 179 GLN H 4.000 . 6.000 5.709 4.748 6.002 0.002 19 0 "[ . 1 . 2]" 1
1245 1 84 CYS H 1 84 CYS HA 3.000 . 3.500 2.894 2.845 2.947 . 0 0 "[ . 1 . 2]" 1
1246 1 84 CYS HA 1 85 PRO HD2 3.500 . 5.000 2.550 2.435 2.628 . 0 0 "[ . 1 . 2]" 1
1247 1 84 CYS HA 1 85 PRO HD3 3.500 . 5.000 2.375 2.297 2.424 . 0 0 "[ . 1 . 2]" 1
1248 1 84 CYS H 1 85 PRO HD3 3.500 . 5.000 4.926 4.781 5.007 0.007 14 0 "[ . 1 . 2]" 1
1249 1 84 CYS HA 1 85 PRO HA 3.500 . 5.000 4.406 4.403 4.412 . 0 0 "[ . 1 . 2]" 1
1250 1 84 CYS QB 1 88 THR MG 4.000 . 5.500 2.961 2.075 3.945 . 0 0 "[ . 1 . 2]" 1
1251 1 84 CYS H 1 108 MET QB 4.000 . 5.500 4.398 3.642 5.274 . 0 0 "[ . 1 . 2]" 1
1252 1 84 CYS H 1 111 ILE H 4.000 . 6.000 5.641 4.301 6.001 0.001 19 0 "[ . 1 . 2]" 1
1253 1 84 CYS H 1 124 GLN QB 4.500 . 6.500 4.162 3.364 5.511 . 0 0 "[ . 1 . 2]" 1
1254 1 85 PRO HA 1 85 PRO HB2 2.500 . 2.700 2.707 2.704 2.709 0.009 2 0 "[ . 1 . 2]" 1
1255 1 85 PRO HA 1 85 PRO HG2 4.000 . 6.000 3.849 3.848 3.853 . 0 0 "[ . 1 . 2]" 1
1256 1 85 PRO HA 1 86 GLU H 2.500 . 2.700 2.543 2.199 2.673 . 0 0 "[ . 1 . 2]" 1
1257 1 85 PRO HG2 1 86 GLU H 4.000 . 6.000 4.123 3.863 4.810 . 0 0 "[ . 1 . 2]" 1
1258 1 85 PRO HG3 1 86 GLU H 4.000 . 6.000 4.831 4.593 5.498 . 0 0 "[ . 1 . 2]" 1
1259 1 85 PRO HA 1 86 GLU HA 3.500 . 5.000 4.349 4.313 4.390 . 0 0 "[ . 1 . 2]" 1
1260 1 85 PRO HA 1 86 GLU QB 4.500 . 6.500 4.493 4.133 4.749 . 0 0 "[ . 1 . 2]" 1
1261 1 85 PRO HG2 1 88 THR HB 4.000 . 6.000 4.585 3.836 5.465 . 0 0 "[ . 1 . 2]" 1
1262 1 85 PRO HD2 1 88 THR MG 4.500 . 6.500 3.560 2.545 4.362 . 0 0 "[ . 1 . 2]" 1
1263 1 86 GLU H 1 87 GLY H 3.500 . 5.000 4.465 4.191 4.634 . 0 0 "[ . 1 . 2]" 1
1264 1 86 GLU HA 1 87 GLY H 2.500 . 2.700 2.198 2.144 2.292 . 0 0 "[ . 1 . 2]" 1
1265 1 86 GLU QB 1 87 GLY H 3.500 . 5.000 3.269 2.715 3.954 . 0 0 "[ . 1 . 2]" 1
1266 1 86 GLU QB 1 87 GLY HA2 3.500 . 5.000 4.346 4.055 5.012 0.012 3 0 "[ . 1 . 2]" 1
1267 1 86 GLU QB 1 87 GLY HA3 4.000 . 6.000 4.194 3.898 4.669 . 0 0 "[ . 1 . 2]" 1
1268 1 86 GLU HG2 1 87 GLY H 4.000 . 6.000 4.063 2.103 5.480 . 0 0 "[ . 1 . 2]" 1
1269 1 86 GLU HG3 1 87 GLY H 4.000 . 6.000 4.707 3.710 5.563 . 0 0 "[ . 1 . 2]" 1
1270 1 86 GLU HA 1 87 GLY HA3 3.500 . 5.000 4.420 4.389 4.458 . 0 0 "[ . 1 . 2]" 1
1271 1 86 GLU HA 1 87 GLY HA2 3.500 . 5.000 4.429 4.337 4.551 . 0 0 "[ . 1 . 2]" 1
1272 1 86 GLU HA 1 88 THR H 3.500 . 5.000 3.598 3.387 3.858 . 0 0 "[ . 1 . 2]" 1
1273 1 86 GLU HA 1 108 MET QB 4.000 . 5.500 3.592 2.587 4.390 . 0 0 "[ . 1 . 2]" 1
1274 1 86 GLU HA 1 109 GLY H 4.500 . 6.500 4.874 3.770 5.669 . 0 0 "[ . 1 . 2]" 1
1275 1 86 GLU HA 1 109 GLY QA 4.000 . 5.500 3.289 2.320 4.056 . 0 0 "[ . 1 . 2]" 1
1276 1 86 GLU HG3 1 110 ALA HA 3.500 . 5.000 4.092 3.024 5.001 0.001 8 0 "[ . 1 . 2]" 1
1277 1 86 GLU HG2 1 110 ALA H 4.000 . 6.000 4.591 2.981 5.998 . 0 0 "[ . 1 . 2]" 1
1278 1 86 GLU HG3 1 110 ALA H 4.000 . 6.000 4.736 4.086 6.000 0.000 4 0 "[ . 1 . 2]" 1
1279 1 86 GLU QB 1 110 ALA HA 4.000 . 6.000 5.387 3.407 6.551 0.551 16 1 "[ . 1 .+ 2]" 1
1280 1 86 GLU HA 1 110 ALA H 4.000 . 6.000 5.718 4.692 6.002 0.002 17 0 "[ . 1 . 2]" 1
1281 1 87 GLY H 1 87 GLY HA2 3.000 . 3.500 2.480 2.321 2.658 . 0 0 "[ . 1 . 2]" 1
1282 1 87 GLY H 1 87 GLY HA3 3.000 . 3.500 2.938 2.887 2.957 . 0 0 "[ . 1 . 2]" 1
1283 1 87 GLY HA2 1 88 THR H 3.000 . 3.500 3.432 2.970 3.501 0.001 16 0 "[ . 1 . 2]" 1
1284 1 87 GLY HA3 1 88 THR H 3.500 . 5.000 3.030 2.934 3.487 . 0 0 "[ . 1 . 2]" 1
1285 1 87 GLY H 1 88 THR H 3.000 . 3.500 2.489 2.000 2.856 . 0 0 "[ . 1 . 2]" 1
1286 1 87 GLY HA2 1 88 THR HA 3.500 . 5.000 4.808 4.560 4.878 . 0 0 "[ . 1 . 2]" 1
1287 1 87 GLY HA3 1 88 THR HA 3.500 . 5.000 4.397 4.368 4.515 . 0 0 "[ . 1 . 2]" 1
1288 1 87 GLY H 1 107 ARG QG 4.500 . 6.500 3.551 2.595 5.158 . 0 0 "[ . 1 . 2]" 1
1289 1 87 GLY H 1 107 ARG QB 4.500 . 6.500 4.674 3.760 5.998 . 0 0 "[ . 1 . 2]" 1
1290 1 87 GLY HA2 1 107 ARG QG 4.000 . 5.500 3.226 1.973 4.321 . 0 0 "[ . 1 . 2]" 1
1291 1 87 GLY HA3 1 107 ARG QG 4.500 . 6.500 4.608 3.455 5.673 . 0 0 "[ . 1 . 2]" 1
1292 1 87 GLY HA2 1 107 ARG QD 4.500 . 6.500 3.303 2.122 4.982 . 0 0 "[ . 1 . 2]" 1
1293 1 87 GLY HA2 1 108 MET H 3.500 . 5.000 4.911 3.914 5.008 0.008 9 0 "[ . 1 . 2]" 1
1294 1 87 GLY H 1 108 MET H 3.500 . 5.000 3.794 2.931 4.692 . 0 0 "[ . 1 . 2]" 1
1295 1 87 GLY H 1 108 MET QB 3.500 . 5.000 3.549 2.464 4.432 . 0 0 "[ . 1 . 2]" 1
1296 1 88 THR H 1 88 THR HA 3.000 . 3.500 2.806 2.766 2.932 . 0 0 "[ . 1 . 2]" 1
1297 1 88 THR H 1 88 THR HB 3.000 . 3.500 2.731 2.591 2.840 . 0 0 "[ . 1 . 2]" 1
1298 1 88 THR H 1 88 THR MG 4.000 . 5.500 3.724 3.676 3.827 . 0 0 "[ . 1 . 2]" 1
1299 1 88 THR HA 1 89 VAL H 3.000 . 3.500 2.169 2.147 2.250 . 0 0 "[ . 1 . 2]" 1
1300 1 88 THR HB 1 89 VAL H 3.500 . 5.000 4.119 3.699 4.292 . 0 0 "[ . 1 . 2]" 1
1301 1 88 THR H 1 89 VAL H 3.500 . 5.000 4.480 4.347 4.635 . 0 0 "[ . 1 . 2]" 1
1302 1 88 THR MG 1 89 VAL H 4.000 . 5.500 2.806 2.047 3.078 . 0 0 "[ . 1 . 2]" 1
1303 1 88 THR MG 1 90 CYS H 4.500 . 6.500 4.445 4.182 5.174 . 0 0 "[ . 1 . 2]" 1
1304 1 88 THR MG 1 90 CYS HA 4.500 . 6.500 4.221 3.996 4.681 . 0 0 "[ . 1 . 2]" 1
1305 1 88 THR H 1 107 ARG QG 4.000 . 5.500 4.413 3.739 5.500 . 0 0 "[ . 1 . 2]" 1
1306 1 88 THR H 1 108 MET QB 3.500 . 5.000 3.041 2.223 3.620 . 0 0 "[ . 1 . 2]" 1
1307 1 88 THR H 1 108 MET QG 4.000 . 5.500 4.484 3.733 5.503 0.003 3 0 "[ . 1 . 2]" 1
1308 1 88 THR HB 1 108 MET H 3.000 . 3.500 3.514 3.504 3.523 0.023 8 0 "[ . 1 . 2]" 1
1309 1 88 THR HA 1 108 MET H 3.500 . 5.000 4.852 4.304 4.960 . 0 0 "[ . 1 . 2]" 1
1310 1 88 THR HB 1 108 MET QB 3.500 . 4.000 2.140 1.898 2.614 . 0 0 "[ . 1 . 2]" 1
1311 1 88 THR HB 1 108 MET QG 4.000 . 5.500 2.434 1.917 3.894 . 0 0 "[ . 1 . 2]" 1
1312 1 88 THR MG 1 108 MET H 4.500 . 6.500 4.567 4.431 4.607 . 0 0 "[ . 1 . 2]" 1
1313 1 88 THR MG 1 152 HIS HB3 4.500 . 6.500 3.906 3.246 4.588 . 0 0 "[ . 1 . 2]" 1
1314 1 88 THR MG 1 152 HIS HB2 4.500 . 6.500 3.572 2.620 4.338 . 0 0 "[ . 1 . 2]" 1
1315 1 88 THR MG 1 152 HIS HD2 4.500 . 6.500 3.691 2.883 4.735 . 0 0 "[ . 1 . 2]" 1
1316 1 89 VAL H 1 89 VAL HA 3.000 . 3.500 2.921 2.874 2.949 . 0 0 "[ . 1 . 2]" 1
1317 1 89 VAL H 1 89 VAL HB 2.500 . 2.700 2.641 2.599 2.707 0.007 8 0 "[ . 1 . 2]" 1
1318 1 89 VAL H 1 89 VAL MG1 4.000 . 5.500 3.648 1.983 3.883 . 0 0 "[ . 1 . 2]" 1
1319 1 89 VAL H 1 89 VAL MG2 4.000 . 5.500 2.493 2.162 3.797 . 0 0 "[ . 1 . 2]" 1
1320 1 89 VAL HA 1 90 CYS H 2.500 . 2.700 2.156 2.141 2.250 . 0 0 "[ . 1 . 2]" 1
1321 1 89 VAL H 1 90 CYS H 4.000 . 6.000 4.334 4.147 4.592 . 0 0 "[ . 1 . 2]" 1
1322 1 89 VAL HB 1 90 CYS H 3.500 . 5.000 4.260 4.007 4.327 . 0 0 "[ . 1 . 2]" 1
1323 1 89 VAL MG1 1 90 CYS H 4.000 . 5.500 3.020 2.584 3.998 . 0 0 "[ . 1 . 2]" 1
1324 1 89 VAL MG2 1 90 CYS H 4.500 . 6.500 4.029 2.196 4.262 . 0 0 "[ . 1 . 2]" 1
1325 1 89 VAL MG1 1 105 ALA HA 4.500 . 6.500 3.770 3.196 5.946 . 0 0 "[ . 1 . 2]" 1
1326 1 89 VAL HA 1 106 VAL H 3.500 . 5.000 4.296 3.691 5.000 . 0 0 "[ . 1 . 2]" 1
1327 1 89 VAL MG1 1 106 VAL H 4.000 . 5.500 3.323 2.575 5.405 . 0 0 "[ . 1 . 2]" 1
1328 1 89 VAL H 1 107 ARG QG 4.500 . 6.500 4.738 3.875 5.513 . 0 0 "[ . 1 . 2]" 1
1329 1 89 VAL MG2 1 107 ARG HA 4.000 . 5.500 3.464 3.151 4.136 . 0 0 "[ . 1 . 2]" 1
1330 1 89 VAL MG1 1 107 ARG HA 4.000 . 5.500 3.758 3.367 5.264 . 0 0 "[ . 1 . 2]" 1
1331 1 89 VAL H 1 108 MET H 4.000 . 6.000 4.929 4.504 4.993 . 0 0 "[ . 1 . 2]" 1
1332 1 89 VAL HA 1 108 MET H 3.000 . 3.500 3.516 3.511 3.525 0.025 8 0 "[ . 1 . 2]" 1
1333 1 89 VAL MG2 1 108 MET H 4.500 . 6.500 4.520 4.270 5.262 . 0 0 "[ . 1 . 2]" 1
1334 1 90 CYS HA 1 91 SER H 2.500 . 2.700 2.441 2.326 2.519 . 0 0 "[ . 1 . 2]" 1
1335 1 90 CYS HB2 1 91 SER H 3.000 . 3.500 3.357 2.764 3.505 0.005 7 0 "[ . 1 . 2]" 1
1336 1 90 CYS HB3 1 91 SER H 3.000 . 3.500 2.438 2.170 3.391 . 0 0 "[ . 1 . 2]" 1
1337 1 90 CYS H 1 90 CYS HA 3.000 . 3.500 2.910 2.893 2.945 . 0 0 "[ . 1 . 2]" 1
1338 1 90 CYS H 1 90 CYS HB2 3.000 . 3.500 2.658 2.414 3.518 0.018 9 0 "[ . 1 . 2]" 1
1339 1 90 CYS H 1 90 CYS HB3 3.500 . 5.000 3.652 3.540 3.850 . 0 0 "[ . 1 . 2]" 1
1340 1 90 CYS H 1 91 SER H 3.500 . 5.000 4.553 4.452 4.581 . 0 0 "[ . 1 . 2]" 1
1341 1 90 CYS H 1 91 SER HA 4.000 . 6.000 5.207 4.853 5.293 . 0 0 "[ . 1 . 2]" 1
1342 1 90 CYS HA 1 91 SER HB3 3.500 . 5.000 4.953 4.583 5.002 0.002 13 0 "[ . 1 . 2]" 1
1343 1 90 CYS HA 1 91 SER HB2 3.500 . 5.000 4.030 3.995 4.283 . 0 0 "[ . 1 . 2]" 1
1344 1 90 CYS HB2 1 91 SER HA 3.500 . 5.000 4.441 4.095 4.715 . 0 0 "[ . 1 . 2]" 1
1345 1 90 CYS HB2 1 92 VAL H 4.000 . 6.000 5.045 4.692 5.811 . 0 0 "[ . 1 . 2]" 1
1346 1 90 CYS HB2 1 106 VAL MG1 4.500 . 6.500 4.338 3.738 4.789 . 0 0 "[ . 1 . 2]" 1
1347 1 90 CYS HB2 1 106 VAL MG2 4.500 . 6.500 4.012 3.429 4.853 . 0 0 "[ . 1 . 2]" 1
1348 1 90 CYS H 1 106 VAL H 3.000 . 3.500 3.154 2.346 3.503 0.003 7 0 "[ . 1 . 2]" 1
1349 1 90 CYS H 1 106 VAL HB 3.500 . 5.000 3.970 3.560 4.259 . 0 0 "[ . 1 . 2]" 1
1350 1 90 CYS HB2 1 106 VAL H 3.500 . 5.000 3.533 3.029 4.204 . 0 0 "[ . 1 . 2]" 1
1351 1 90 CYS HB3 1 106 VAL H 3.500 . 5.000 4.916 4.587 5.013 0.013 9 0 "[ . 1 . 2]" 1
1352 1 90 CYS HB3 1 106 VAL HB 3.500 . 5.000 4.615 4.000 5.000 0.000 13 0 "[ . 1 . 2]" 1
1353 1 90 CYS H 1 107 ARG HA 3.000 . 3.500 3.417 3.152 3.504 0.004 1 0 "[ . 1 . 2]" 1
1354 1 90 CYS H 1 107 ARG QG 4.000 . 5.500 4.934 4.465 5.328 . 0 0 "[ . 1 . 2]" 1
1355 1 90 CYS H 1 107 ARG H 4.500 . 6.500 4.913 4.428 5.119 . 0 0 "[ . 1 . 2]" 1
1356 1 90 CYS H 1 108 MET QG 4.000 . 5.500 4.011 3.021 5.490 . 0 0 "[ . 1 . 2]" 1
1357 1 90 CYS QB 1 108 MET QG 4.500 . 6.500 3.938 3.240 5.019 . 0 0 "[ . 1 . 2]" 1
1358 1 90 CYS HB2 1 108 MET QG 4.000 . 5.500 4.278 3.313 5.502 0.002 3 0 "[ . 1 . 2]" 1
1359 1 90 CYS QB 1 150 TYR HB3 4.000 . 5.500 2.691 2.015 3.212 . 0 0 "[ . 1 . 2]" 1
1360 1 90 CYS QB 1 150 TYR HB2 4.000 . 5.500 4.200 3.381 4.720 . 0 0 "[ . 1 . 2]" 1
1361 1 90 CYS HB3 1 151 VAL H 4.000 . 6.000 3.612 2.987 5.006 . 0 0 "[ . 1 . 2]" 1
1362 1 90 CYS HA 1 151 VAL H 3.500 . 5.000 4.636 4.192 4.922 . 0 0 "[ . 1 . 2]" 1
1363 1 90 CYS HB2 1 151 VAL H 3.500 . 5.000 4.929 4.500 5.009 0.009 3 0 "[ . 1 . 2]" 1
1364 1 90 CYS HA 1 152 HIS HA 3.500 . 5.000 3.755 3.143 4.277 . 0 0 "[ . 1 . 2]" 1
1365 1 90 CYS HA 1 152 HIS HB2 3.500 . 5.000 3.595 3.349 3.905 . 0 0 "[ . 1 . 2]" 1
1366 1 90 CYS H 1 152 HIS HB2 4.000 . 6.000 5.844 5.324 6.002 0.002 4 0 "[ . 1 . 2]" 1
1367 1 90 CYS HA 1 153 LYS H 4.000 . 6.000 5.305 4.857 5.854 . 0 0 "[ . 1 . 2]" 1
1368 1 91 SER HA 1 92 VAL H 2.500 . 2.700 2.160 2.141 2.176 . 0 0 "[ . 1 . 2]" 1
1369 1 91 SER H 1 91 SER HA 3.000 . 3.500 2.931 2.929 2.933 . 0 0 "[ . 1 . 2]" 1
1370 1 91 SER H 1 91 SER HB2 3.000 . 3.500 2.930 2.872 3.187 . 0 0 "[ . 1 . 2]" 1
1371 1 91 SER H 1 91 SER HB3 3.000 . 3.500 3.063 2.822 3.123 . 0 0 "[ . 1 . 2]" 1
1372 1 91 SER H 1 92 VAL H 4.000 . 6.000 4.054 3.915 4.302 . 0 0 "[ . 1 . 2]" 1
1373 1 91 SER HA 1 92 VAL MG2 4.000 . 5.500 3.612 3.338 3.787 . 0 0 "[ . 1 . 2]" 1
1374 1 91 SER HB2 1 92 VAL H 3.500 . 5.000 4.524 4.358 4.606 . 0 0 "[ . 1 . 2]" 1
1375 1 91 SER HB3 1 92 VAL H 3.500 . 5.000 4.108 3.800 4.329 . 0 0 "[ . 1 . 2]" 1
1376 1 91 SER H 1 92 VAL HA 4.000 . 6.000 4.600 4.529 4.710 . 0 0 "[ . 1 . 2]" 1
1377 1 91 SER HB2 1 93 LEU QD 4.000 . 5.500 5.052 4.652 5.500 . 0 0 "[ . 1 . 2]" 1
1378 1 91 SER HB3 1 93 LEU QD 4.000 . 5.500 3.660 3.214 4.223 . 0 0 "[ . 1 . 2]" 1
1379 1 91 SER HB2 1 103 PRO QB 4.500 . 6.500 5.119 4.620 5.591 . 0 0 "[ . 1 . 2]" 1
1380 1 91 SER HA 1 105 ALA MB 4.000 . 5.500 4.009 3.572 4.495 . 0 0 "[ . 1 . 2]" 1
1381 1 91 SER HA 1 105 ALA H 4.000 . 6.000 4.950 4.652 5.128 . 0 0 "[ . 1 . 2]" 1
1382 1 91 SER HA 1 105 ALA HA 3.000 . 3.500 2.766 2.277 3.203 . 0 0 "[ . 1 . 2]" 1
1383 1 91 SER HA 1 106 VAL H 3.500 . 5.000 3.837 3.236 4.449 . 0 0 "[ . 1 . 2]" 1
1384 1 91 SER HA 1 106 VAL MG2 4.500 . 6.500 4.471 3.818 5.260 . 0 0 "[ . 1 . 2]" 1
1385 1 91 SER H 1 151 VAL H 3.000 . 3.500 2.619 2.213 2.987 . 0 0 "[ . 1 . 2]" 1
1386 1 91 SER H 1 152 HIS HA 3.500 . 5.000 4.015 3.501 4.350 . 0 0 "[ . 1 . 2]" 1
1387 1 91 SER H 1 150 TYR HA 3.500 . 5.000 4.125 3.819 4.417 . 0 0 "[ . 1 . 2]" 1
1388 1 91 SER H 1 150 TYR HB3 3.500 . 5.000 4.012 3.101 4.529 . 0 0 "[ . 1 . 2]" 1
1389 1 91 SER H 1 150 TYR HB2 4.000 . 6.000 5.639 4.811 6.011 0.011 3 0 "[ . 1 . 2]" 1
1390 1 91 SER H 1 150 TYR QD 4.000 . 6.000 3.861 2.724 4.608 . 0 0 "[ . 1 . 2]" 1
1391 1 91 SER H 1 151 VAL HA 4.000 . 6.000 4.590 4.369 4.808 . 0 0 "[ . 1 . 2]" 1
1392 1 91 SER H 1 151 VAL MG2 4.000 . 5.500 3.183 2.376 3.741 . 0 0 "[ . 1 . 2]" 1
1393 1 91 SER HA 1 151 VAL H 3.500 . 5.000 4.637 4.270 4.907 . 0 0 "[ . 1 . 2]" 1
1394 1 91 SER HB2 1 151 VAL H 3.500 . 5.000 4.761 4.357 5.001 0.001 1 0 "[ . 1 . 2]" 1
1395 1 91 SER HB3 1 151 VAL H 3.500 . 5.000 3.851 3.482 4.235 . 0 0 "[ . 1 . 2]" 1
1396 1 91 SER HB2 1 151 VAL MG2 4.000 . 4.000 3.482 2.946 4.002 0.002 13 0 "[ . 1 . 2]" 1
1397 1 91 SER HB3 1 151 VAL MG2 4.000 . 5.500 2.291 1.927 2.808 . 0 0 "[ . 1 . 2]" 1
1398 1 91 SER H 1 151 VAL HB 4.500 . 6.500 5.161 4.757 5.356 . 0 0 "[ . 1 . 2]" 1
1399 1 91 SER H 1 152 HIS HB3 4.000 . 6.000 3.602 3.190 4.094 . 0 0 "[ . 1 . 2]" 1
1400 1 91 SER H 1 152 HIS HB2 4.000 . 6.000 5.088 4.785 5.500 . 0 0 "[ . 1 . 2]" 1
1401 1 91 SER H 1 152 HIS H 4.000 . 6.000 4.962 4.624 5.097 . 0 0 "[ . 1 . 2]" 1
1402 1 91 SER HB2 1 152 HIS HA 3.500 . 5.000 4.125 3.283 5.001 0.001 4 0 "[ . 1 . 2]" 1
1403 1 91 SER HB3 1 152 HIS HA 3.500 . 5.000 4.529 3.898 5.001 0.001 1 0 "[ . 1 . 2]" 1
1404 1 92 VAL HA 1 93 LEU H 2.500 . 2.700 2.333 2.222 2.372 . 0 0 "[ . 1 . 2]" 1
1405 1 92 VAL H 1 92 VAL HA 3.000 . 3.500 2.868 2.799 2.926 . 0 0 "[ . 1 . 2]" 1
1406 1 92 VAL H 1 92 VAL MG2 3.500 . 4.000 2.125 1.959 2.314 . 0 0 "[ . 1 . 2]" 1
1407 1 92 VAL H 1 92 VAL MG1 4.000 . 5.500 3.784 3.748 3.829 . 0 0 "[ . 1 . 2]" 1
1408 1 92 VAL H 1 93 LEU H 3.500 . 5.000 4.613 4.568 4.635 . 0 0 "[ . 1 . 2]" 1
1409 1 92 VAL MG2 1 93 LEU H 4.000 . 5.500 3.923 3.878 4.078 . 0 0 "[ . 1 . 2]" 1
1410 1 92 VAL MG1 1 93 LEU H 4.000 . 5.500 1.949 1.899 2.070 . 0 0 "[ . 1 . 2]" 1
1411 1 92 VAL MG1 1 93 LEU HA 4.000 . 5.500 3.762 3.676 3.890 . 0 0 "[ . 1 . 2]" 1
1412 1 92 VAL HA 1 93 LEU HG 3.500 . 5.000 3.393 3.156 3.777 . 0 0 "[ . 1 . 2]" 1
1413 1 92 VAL MG1 1 94 ILE HG13 4.000 . 5.500 2.601 2.010 3.130 . 0 0 "[ . 1 . 2]" 1
1414 1 92 VAL MG1 1 94 ILE MD 4.000 . 5.500 3.184 2.003 3.776 . 0 0 "[ . 1 . 2]" 1
1415 1 92 VAL HA 1 94 ILE H 4.000 . 6.000 5.475 4.970 5.934 . 0 0 "[ . 1 . 2]" 1
1416 1 92 VAL MG1 1 94 ILE H 3.500 . 5.000 3.579 2.999 4.193 . 0 0 "[ . 1 . 2]" 1
1417 1 92 VAL H 1 94 ILE MD 4.500 . 6.500 5.587 4.844 6.004 . 0 0 "[ . 1 . 2]" 1
1418 1 92 VAL MG2 1 94 ILE MD 4.000 . 5.500 4.150 3.530 4.756 . 0 0 "[ . 1 . 2]" 1
1419 1 92 VAL MG1 1 94 ILE HG12 3.500 . 5.000 2.760 2.299 3.161 . 0 0 "[ . 1 . 2]" 1
1420 1 92 VAL H 1 103 PRO HA 3.500 . 5.000 4.418 4.136 4.881 . 0 0 "[ . 1 . 2]" 1
1421 1 92 VAL H 1 104 LEU H 3.000 . 3.500 3.268 2.853 3.503 0.003 10 0 "[ . 1 . 2]" 1
1422 1 92 VAL MG2 1 104 LEU H 4.000 . 5.500 3.874 3.354 4.457 . 0 0 "[ . 1 . 2]" 1
1423 1 92 VAL MG2 1 104 LEU HB2 4.500 . 6.500 2.438 1.934 3.198 . 0 0 "[ . 1 . 2]" 1
1424 1 92 VAL MG2 1 104 LEU HB3 4.500 . 6.500 3.622 3.105 4.373 . 0 0 "[ . 1 . 2]" 1
1425 1 92 VAL H 1 104 LEU HB2 3.000 . 3.500 3.149 2.427 3.510 0.010 16 0 "[ . 1 . 2]" 1
1426 1 92 VAL H 1 104 LEU HB3 3.500 . 5.000 4.539 3.982 4.925 . 0 0 "[ . 1 . 2]" 1
1427 1 92 VAL H 1 105 ALA HA 3.500 . 5.000 3.759 3.337 4.241 . 0 0 "[ . 1 . 2]" 1
1428 1 92 VAL H 1 106 VAL MG2 4.500 . 6.500 3.944 3.115 4.832 . 0 0 "[ . 1 . 2]" 1
1429 1 92 VAL MG2 1 106 VAL MG2 4.000 . 5.500 2.516 1.940 3.154 . 0 0 "[ . 1 . 2]" 1
1430 1 92 VAL MG2 1 106 VAL HB 4.000 . 5.500 3.946 3.367 4.541 . 0 0 "[ . 1 . 2]" 1
1431 1 92 VAL MG1 1 148 ALA MB 4.000 . 5.500 1.873 1.789 2.098 0.011 8 0 "[ . 1 . 2]" 1
1432 1 92 VAL MG2 1 148 ALA MB 4.500 . 6.500 3.546 3.382 3.935 . 0 0 "[ . 1 . 2]" 1
1433 1 92 VAL HA 1 150 TYR HA 3.000 . 3.500 2.413 2.017 2.722 . 0 0 "[ . 1 . 2]" 1
1434 1 92 VAL MG1 1 150 TYR HA 4.000 . 5.500 3.575 3.241 3.883 . 0 0 "[ . 1 . 2]" 1
1435 1 92 VAL MG2 1 150 TYR HA 4.000 . 5.500 3.275 3.112 3.634 . 0 0 "[ . 1 . 2]" 1
1436 1 92 VAL MG2 1 150 TYR QD 4.000 . 5.500 2.880 2.366 3.113 . 0 0 "[ . 1 . 2]" 1
1437 1 92 VAL H 1 151 VAL H 4.000 . 6.000 4.696 4.440 5.000 . 0 0 "[ . 1 . 2]" 1
1438 1 92 VAL HA 1 151 VAL H 3.000 . 3.500 3.508 3.501 3.514 0.014 3 0 "[ . 1 . 2]" 1
1439 1 92 VAL MG2 1 151 VAL H 4.000 . 5.500 4.429 4.244 4.729 . 0 0 "[ . 1 . 2]" 1
1440 1 92 VAL MG1 1 151 VAL H 4.000 . 5.500 5.106 4.988 5.207 . 0 0 "[ . 1 . 2]" 1
1441 1 92 VAL HA 1 151 VAL MG2 4.500 . 6.500 3.795 3.532 4.193 . 0 0 "[ . 1 . 2]" 1
1442 1 92 VAL MG1 1 164 HIS H 4.000 . 5.500 4.710 4.213 5.278 . 0 0 "[ . 1 . 2]" 1
1443 1 92 VAL MG1 1 164 HIS HB2 4.000 . 5.500 3.919 3.161 4.512 . 0 0 "[ . 1 . 2]" 1
1444 1 92 VAL MG1 1 164 HIS HB3 4.500 . 6.500 5.062 4.328 5.495 . 0 0 "[ . 1 . 2]" 1
1445 1 92 VAL MG2 1 164 HIS HD2 4.500 . 6.500 3.295 2.655 4.324 . 0 0 "[ . 1 . 2]" 1
1446 1 92 VAL MG1 1 164 HIS HD2 4.000 . 5.500 3.837 3.177 4.941 . 0 0 "[ . 1 . 2]" 1
1447 1 93 LEU H 1 93 LEU HA 3.000 . 3.500 2.946 2.939 2.949 . 0 0 "[ . 1 . 2]" 1
1448 1 93 LEU H 1 93 LEU QB 3.500 . 4.000 2.680 2.529 2.801 . 0 0 "[ . 1 . 2]" 1
1449 1 93 LEU H 1 93 LEU QD 4.000 . 5.500 3.156 2.082 3.420 . 0 0 "[ . 1 . 2]" 1
1450 1 93 LEU HA 1 94 ILE H 2.500 . 2.700 2.239 2.137 2.375 . 0 0 "[ . 1 . 2]" 1
1451 1 93 LEU QB 1 94 ILE H 4.000 . 5.500 3.673 3.376 3.838 . 0 0 "[ . 1 . 2]" 1
1452 1 93 LEU QD 1 94 ILE H 4.000 . 5.500 4.107 3.701 4.606 . 0 0 "[ . 1 . 2]" 1
1453 1 93 LEU H 1 94 ILE H 4.000 . 6.000 3.917 3.518 4.273 . 0 0 "[ . 1 . 2]" 1
1454 1 93 LEU HA 1 94 ILE HG12 4.000 . 6.000 5.145 4.848 5.498 . 0 0 "[ . 1 . 2]" 1
1455 1 93 LEU MD2 1 103 PRO QB 4.000 . 5.500 3.835 3.138 5.164 . 0 0 "[ . 1 . 2]" 1
1456 1 93 LEU HA 1 103 PRO HA 3.000 . 3.500 3.334 3.038 3.501 0.001 5 0 "[ . 1 . 2]" 1
1457 1 93 LEU MD2 1 103 PRO HA 4.000 . 5.500 4.029 3.159 5.505 0.005 10 0 "[ . 1 . 2]" 1
1458 1 93 LEU HA 1 104 LEU H 3.500 . 5.000 4.463 4.061 4.689 . 0 0 "[ . 1 . 2]" 1
1459 1 93 LEU H 1 148 ALA MB 4.000 . 5.500 3.146 2.749 3.610 . 0 0 "[ . 1 . 2]" 1
1460 1 93 LEU QB 1 148 ALA MB 4.500 . 6.500 4.191 3.603 4.886 . 0 0 "[ . 1 . 2]" 1
1461 1 93 LEU HA 1 148 ALA MB 4.500 . 6.500 5.067 4.545 5.555 . 0 0 "[ . 1 . 2]" 1
1462 1 93 LEU H 1 149 PRO HA 4.000 . 6.000 5.367 5.169 5.601 . 0 0 "[ . 1 . 2]" 1
1463 1 93 LEU H 1 149 PRO HD3 3.500 . 5.000 4.945 4.341 5.016 0.016 5 0 "[ . 1 . 2]" 1
1464 1 93 LEU H 1 149 PRO HD2 3.500 . 5.000 3.280 2.790 3.425 . 0 0 "[ . 1 . 2]" 1
1465 1 93 LEU H 1 150 TYR HA 3.500 . 5.000 4.007 3.605 4.403 . 0 0 "[ . 1 . 2]" 1
1466 1 93 LEU H 1 151 VAL MG2 4.500 . 6.500 4.403 3.938 4.778 . 0 0 "[ . 1 . 2]" 1
1467 1 93 LEU HG 1 151 VAL H 3.500 . 5.000 4.277 3.394 4.935 . 0 0 "[ . 1 . 2]" 1
1468 1 93 LEU H 1 151 VAL MG1 4.500 . 6.500 4.983 4.326 5.589 . 0 0 "[ . 1 . 2]" 1
1469 1 93 LEU QD 1 151 VAL H 4.000 . 5.500 3.915 3.017 4.385 . 0 0 "[ . 1 . 2]" 1
1470 1 94 ILE HA 1 95 LYS H 2.500 . 2.700 2.194 2.143 2.288 . 0 0 "[ . 1 . 2]" 1
1471 1 94 ILE H 1 94 ILE HA 3.000 . 3.500 2.923 2.860 2.949 . 0 0 "[ . 1 . 2]" 1
1472 1 94 ILE H 1 94 ILE HB 3.000 . 3.500 2.641 2.612 2.755 . 0 0 "[ . 1 . 2]" 1
1473 1 94 ILE H 1 94 ILE HG13 3.500 . 5.000 2.327 1.996 2.664 . 0 0 "[ . 1 . 2]" 1
1474 1 94 ILE H 1 94 ILE MD 4.500 . 6.500 3.753 3.459 4.046 . 0 0 "[ . 1 . 2]" 1
1475 1 94 ILE H 1 94 ILE MG 4.000 . 5.500 3.829 3.776 3.902 . 0 0 "[ . 1 . 2]" 1
1476 1 94 ILE H 1 95 LYS H 3.500 . 5.000 4.260 3.924 4.623 . 0 0 "[ . 1 . 2]" 1
1477 1 94 ILE HG12 1 95 LYS H 3.500 . 5.000 4.685 4.353 4.955 . 0 0 "[ . 1 . 2]" 1
1478 1 94 ILE MD 1 95 LYS H 4.000 . 5.500 5.313 4.720 5.509 0.009 10 0 "[ . 1 . 2]" 1
1479 1 94 ILE HB 1 101 LEU HA 4.000 . 6.000 4.337 3.852 5.402 . 0 0 "[ . 1 . 2]" 1
1480 1 94 ILE H 1 102 LEU H 3.500 . 5.000 3.130 2.907 3.626 . 0 0 "[ . 1 . 2]" 1
1481 1 94 ILE H 1 102 LEU HB3 4.000 . 6.000 3.978 3.823 4.106 . 0 0 "[ . 1 . 2]" 1
1482 1 94 ILE H 1 102 LEU HB2 3.500 . 5.000 4.992 4.873 5.003 0.003 10 0 "[ . 1 . 2]" 1
1483 1 94 ILE HA 1 102 LEU H 4.000 . 6.000 4.537 4.348 4.806 . 0 0 "[ . 1 . 2]" 1
1484 1 94 ILE HB 1 102 LEU HB3 3.000 . 3.500 2.036 1.988 2.344 . 0 0 "[ . 1 . 2]" 1
1485 1 94 ILE HB 1 102 LEU HB2 3.500 . 5.000 2.952 2.700 3.465 . 0 0 "[ . 1 . 2]" 1
1486 1 94 ILE MD 1 102 LEU H 4.000 . 5.500 4.421 3.961 5.355 . 0 0 "[ . 1 . 2]" 1
1487 1 94 ILE MD 1 102 LEU HB2 4.000 . 5.500 3.689 3.106 4.754 . 0 0 "[ . 1 . 2]" 1
1488 1 94 ILE H 1 103 PRO HA 3.000 . 3.500 3.497 3.451 3.504 0.004 5 0 "[ . 1 . 2]" 1
1489 1 94 ILE MD 1 103 PRO HA 4.000 . 5.500 4.761 4.138 5.501 0.001 10 0 "[ . 1 . 2]" 1
1490 1 94 ILE HB 1 103 PRO HA 4.000 . 6.000 5.009 4.831 5.164 . 0 0 "[ . 1 . 2]" 1
1491 1 94 ILE HG12 1 104 LEU H 4.000 . 6.000 5.228 4.656 5.608 . 0 0 "[ . 1 . 2]" 1
1492 1 94 ILE HG13 1 104 LEU H 4.000 . 6.000 3.618 3.145 4.181 . 0 0 "[ . 1 . 2]" 1
1493 1 94 ILE MD 1 104 LEU H 4.000 . 5.500 3.691 3.085 4.043 . 0 0 "[ . 1 . 2]" 1
1494 1 94 ILE MD 1 104 LEU HA 4.500 . 6.500 4.694 3.928 5.262 . 0 0 "[ . 1 . 2]" 1
1495 1 94 ILE H 1 104 LEU H 3.500 . 5.000 4.110 3.819 4.349 . 0 0 "[ . 1 . 2]" 1
1496 1 94 ILE MD 1 141 THR HA 4.500 . 6.500 3.344 1.838 5.018 . 0 0 "[ . 1 . 2]" 1
1497 1 94 ILE MD 1 141 THR H 4.000 . 5.500 4.388 3.056 5.507 0.007 10 0 "[ . 1 . 2]" 1
1498 1 94 ILE HG12 1 145 ASP HB2 4.000 . 6.000 4.699 3.269 6.002 0.002 17 0 "[ . 1 . 2]" 1
1499 1 94 ILE HG12 1 145 ASP HB3 4.000 . 6.000 3.967 2.389 4.959 . 0 0 "[ . 1 . 2]" 1
1500 1 94 ILE MD 1 145 ASP HB2 4.500 . 6.500 4.249 3.230 5.662 . 0 0 "[ . 1 . 2]" 1
1501 1 94 ILE HA 1 148 ALA MB 4.000 . 5.500 3.620 2.748 3.884 . 0 0 "[ . 1 . 2]" 1
1502 1 94 ILE H 1 104 LEU HG 3.500 . 5.000 4.477 4.124 4.826 . 0 0 "[ . 1 . 2]" 1
1503 1 94 ILE HB 1 104 LEU H 4.000 . 6.000 5.012 4.417 5.517 . 0 0 "[ . 1 . 2]" 1
1504 1 95 LYS H 1 95 LYS HA 3.000 . 3.500 2.923 2.880 2.948 . 0 0 "[ . 1 . 2]" 1
1505 1 95 LYS H 1 95 LYS HB2 3.000 . 3.500 2.731 2.234 3.563 0.063 14 0 "[ . 1 . 2]" 1
1506 1 95 LYS H 1 95 LYS HB3 3.000 . 3.500 2.859 2.605 3.044 . 0 0 "[ . 1 . 2]" 1
1507 1 95 LYS HA 1 96 ARG H 2.500 . 2.700 2.371 2.230 2.609 . 0 0 "[ . 1 . 2]" 1
1508 1 95 LYS H 1 96 ARG H 3.500 . 5.000 4.518 4.391 4.586 . 0 0 "[ . 1 . 2]" 1
1509 1 95 LYS H 1 96 ARG HA 4.000 . 6.000 5.104 4.763 5.298 . 0 0 "[ . 1 . 2]" 1
1510 1 95 LYS HB3 1 96 ARG H 4.000 . 6.000 3.410 2.709 3.860 . 0 0 "[ . 1 . 2]" 1
1511 1 95 LYS HA 1 101 LEU HA 3.000 . 3.500 2.525 1.990 3.224 . 0 0 "[ . 1 . 2]" 1
1512 1 95 LYS HA 1 102 LEU H 3.500 . 5.000 3.849 2.895 4.541 . 0 0 "[ . 1 . 2]" 1
1513 1 96 ARG H 1 96 ARG QB 3.500 . 4.500 2.582 2.315 2.767 . 0 0 "[ . 1 . 2]" 1
1514 1 96 ARG H 1 96 ARG QG 4.000 . 5.500 3.809 2.952 4.282 . 0 0 "[ . 1 . 2]" 1
1515 1 96 ARG H 1 96 ARG QD 4.000 . 5.500 4.476 3.143 5.229 . 0 0 "[ . 1 . 2]" 1
1516 1 96 ARG H 1 97 ASP H 3.500 . 5.000 4.403 4.362 4.443 . 0 0 "[ . 1 . 2]" 1
1517 1 96 ARG HA 1 97 ASP H 3.500 . 5.000 2.561 2.333 2.696 . 0 0 "[ . 1 . 2]" 1
1518 1 96 ARG QB 1 97 ASP H 4.000 . 5.500 2.377 1.969 3.358 . 0 0 "[ . 1 . 2]" 1
1519 1 96 ARG QD 1 97 ASP H 4.000 . 5.500 3.851 2.322 4.735 . 0 0 "[ . 1 . 2]" 1
1520 1 96 ARG QG 1 97 ASP H 4.000 . 5.500 2.807 1.939 4.072 . 0 0 "[ . 1 . 2]" 1
1521 1 96 ARG HA 1 98 SER H 3.500 . 5.000 4.474 4.267 4.578 . 0 0 "[ . 1 . 2]" 1
1522 1 96 ARG QB 1 98 SER H 3.500 . 4.000 2.575 2.393 3.201 . 0 0 "[ . 1 . 2]" 1
1523 1 96 ARG H 1 98 SER H 4.000 . 5.500 5.018 4.738 5.297 . 0 0 "[ . 1 . 2]" 1
1524 1 96 ARG QB 1 98 SER QB 4.000 . 5.500 3.702 3.116 4.389 . 0 0 "[ . 1 . 2]" 1
1525 1 96 ARG HA 1 99 GLY H 4.500 . 6.500 4.723 4.433 4.995 . 0 0 "[ . 1 . 2]" 1
1526 1 96 ARG H 1 99 GLY HA3 4.000 . 6.000 5.218 4.822 5.573 . 0 0 "[ . 1 . 2]" 1
1527 1 96 ARG H 1 99 GLY H 4.000 . 6.000 3.694 3.356 3.977 . 0 0 "[ . 1 . 2]" 1
1528 1 96 ARG H 1 100 GLU H 3.500 . 5.000 3.480 2.991 4.001 . 0 0 "[ . 1 . 2]" 1
1529 1 96 ARG H 1 100 GLU QB 4.000 . 5.500 4.596 3.795 5.257 . 0 0 "[ . 1 . 2]" 1
1530 1 96 ARG HA 1 100 GLU H 4.000 . 6.000 4.904 4.502 5.179 . 0 0 "[ . 1 . 2]" 1
1531 1 96 ARG QB 1 100 GLU H 4.000 . 5.500 2.253 1.934 2.621 . 0 0 "[ . 1 . 2]" 1
1532 1 96 ARG QB 1 100 GLU QB 4.000 . 5.500 2.637 1.876 3.163 . 0 0 "[ . 1 . 2]" 1
1533 1 96 ARG H 1 101 LEU HA 3.500 . 5.000 3.999 3.422 4.769 . 0 0 "[ . 1 . 2]" 1
1534 1 97 ASP H 1 97 ASP HA 3.000 . 3.500 2.853 2.796 2.885 . 0 0 "[ . 1 . 2]" 1
1535 1 97 ASP H 1 97 ASP HB2 3.000 . 3.500 2.204 2.197 2.210 . 0 0 "[ . 1 . 2]" 1
1536 1 97 ASP H 1 97 ASP HB3 3.000 . 3.500 3.505 3.502 3.508 0.008 3 0 "[ . 1 . 2]" 1
1537 1 97 ASP H 1 98 SER H 3.000 . 3.500 2.503 2.371 2.690 . 0 0 "[ . 1 . 2]" 1
1538 1 97 ASP HA 1 98 SER H 3.000 . 3.500 3.512 3.502 3.518 0.018 17 0 "[ . 1 . 2]" 1
1539 1 97 ASP HB2 1 98 SER H 3.000 . 3.500 2.882 2.841 2.955 . 0 0 "[ . 1 . 2]" 1
1540 1 97 ASP HB3 1 98 SER H 3.000 . 3.500 3.440 3.361 3.504 0.004 9 0 "[ . 1 . 2]" 1
1541 1 97 ASP H 1 98 SER HA 4.000 . 6.000 5.154 5.063 5.300 . 0 0 "[ . 1 . 2]" 1
1542 1 97 ASP HB2 1 98 SER HA 3.500 . 5.000 4.741 4.678 4.850 . 0 0 "[ . 1 . 2]" 1
1543 1 97 ASP HB3 1 98 SER HA 3.500 . 5.000 4.166 4.090 4.264 . 0 0 "[ . 1 . 2]" 1
1544 1 97 ASP H 1 99 GLY H 4.000 . 6.000 3.948 3.825 4.082 . 0 0 "[ . 1 . 2]" 1
1545 1 97 ASP HB2 1 99 GLY H 3.500 . 5.000 5.007 5.005 5.010 0.010 16 0 "[ . 1 . 2]" 1
1546 1 97 ASP HB3 1 99 GLY H 4.000 . 6.000 5.129 4.961 5.222 . 0 0 "[ . 1 . 2]" 1
1547 1 97 ASP HA 1 99 GLY H 4.500 . 6.500 3.921 3.632 4.105 . 0 0 "[ . 1 . 2]" 1
1548 1 97 ASP HA 1 100 GLU H 4.000 . 6.000 5.786 5.365 6.004 0.004 17 0 "[ . 1 . 2]" 1
1549 1 98 SER H 1 98 SER HA 3.000 . 3.500 2.869 2.838 2.930 . 0 0 "[ . 1 . 2]" 1
1550 1 98 SER H 1 98 SER QB 3.500 . 4.000 2.444 2.148 2.855 . 0 0 "[ . 1 . 2]" 1
1551 1 98 SER H 1 99 GLY H 2.500 . 2.700 2.597 2.521 2.707 0.007 6 0 "[ . 1 . 2]" 1
1552 1 98 SER H 1 99 GLY HA2 4.000 . 6.000 4.858 4.789 4.898 . 0 0 "[ . 1 . 2]" 1
1553 1 98 SER H 1 99 GLY HA3 4.000 . 6.000 5.179 5.132 5.202 . 0 0 "[ . 1 . 2]" 1
1554 1 98 SER HA 1 99 GLY H 3.500 . 5.000 3.315 2.996 3.480 . 0 0 "[ . 1 . 2]" 1
1555 1 98 SER H 1 100 GLU QB 4.000 . 6.000 4.416 3.615 4.860 . 0 0 "[ . 1 . 2]" 1
1556 1 98 SER QB 1 100 GLU H 4.000 . 5.500 3.605 3.055 4.369 . 0 0 "[ . 1 . 2]" 1
1557 1 98 SER H 1 100 GLU H 3.500 . 5.000 3.663 3.144 3.937 . 0 0 "[ . 1 . 2]" 1
1558 1 98 SER HA 1 100 GLU H 3.500 . 5.000 4.840 4.460 5.006 0.006 5 0 "[ . 1 . 2]" 1
1559 1 98 SER QB 1 99 GLY HA2 4.500 . 6.500 5.084 4.735 5.575 . 0 0 "[ . 1 . 2]" 1
1560 1 99 GLY HA2 1 100 GLU H 3.000 . 3.500 3.015 3.012 3.024 . 0 0 "[ . 1 . 2]" 1
1561 1 99 GLY HA3 1 100 GLU H 3.000 . 3.500 3.469 3.464 3.471 . 0 0 "[ . 1 . 2]" 1
1562 1 99 GLY H 1 99 GLY HA2 3.000 . 3.500 2.370 2.294 2.419 . 0 0 "[ . 1 . 2]" 1
1563 1 99 GLY H 1 99 GLY HA3 3.000 . 3.500 2.906 2.794 2.949 . 0 0 "[ . 1 . 2]" 1
1564 1 99 GLY H 1 100 GLU H 3.500 . 5.000 2.270 2.057 2.722 . 0 0 "[ . 1 . 2]" 1
1565 1 99 GLY H 1 100 GLU QB 3.500 . 5.000 4.083 3.805 4.457 . 0 0 "[ . 1 . 2]" 1
1566 1 99 GLY HA2 1 100 GLU HA 3.500 . 5.000 4.602 4.499 4.725 . 0 0 "[ . 1 . 2]" 1
1567 1 100 GLU H 1 100 GLU HA 3.000 . 3.500 2.910 2.841 2.944 . 0 0 "[ . 1 . 2]" 1
1568 1 100 GLU H 1 100 GLU QB 3.000 . 3.200 2.305 2.144 2.427 . 0 0 "[ . 1 . 2]" 1
1569 1 100 GLU H 1 100 GLU HG2 3.500 . 5.000 4.553 4.400 4.703 . 0 0 "[ . 1 . 2]" 1
1570 1 100 GLU H 1 100 GLU HG3 3.500 . 5.000 4.436 4.193 4.747 . 0 0 "[ . 1 . 2]" 1
1571 1 100 GLU HA 1 101 LEU H 2.500 . 2.700 2.293 2.187 2.536 . 0 0 "[ . 1 . 2]" 1
1572 1 100 GLU H 1 101 LEU HB2 4.000 . 6.000 5.987 5.889 6.006 0.006 14 0 "[ . 1 . 2]" 1
1573 1 100 GLU H 1 101 LEU HG 4.000 . 6.000 5.680 5.145 6.001 0.001 14 0 "[ . 1 . 2]" 1
1574 1 100 GLU HA 1 101 LEU HB3 4.000 . 6.000 5.633 5.387 5.733 . 0 0 "[ . 1 . 2]" 1
1575 1 100 GLU HA 1 101 LEU HB2 3.500 . 5.000 4.362 3.933 4.492 . 0 0 "[ . 1 . 2]" 1
1576 1 100 GLU HA 1 101 LEU HG 4.000 . 6.000 5.443 4.869 5.931 . 0 0 "[ . 1 . 2]" 1
1577 1 100 GLU HA 1 101 LEU QD 4.000 . 5.500 4.415 3.811 4.966 . 0 0 "[ . 1 . 2]" 1
1578 1 100 GLU QB 1 101 LEU H 4.000 . 5.500 3.934 2.760 4.040 . 0 0 "[ . 1 . 2]" 1
1579 1 100 GLU HG2 1 101 LEU H 3.500 . 5.000 4.106 2.883 4.812 . 0 0 "[ . 1 . 2]" 1
1580 1 100 GLU HG3 1 101 LEU H 3.500 . 5.000 4.190 1.997 5.000 . 2 0 "[ . 1 . 2]" 1
1581 1 100 GLU HG3 1 101 LEU QD 4.000 . 6.000 6.037 5.205 6.919 0.919 13 3 "[ * -. 1 + . 2]" 1
1582 1 100 GLU H 1 101 LEU H 4.000 . 6.000 4.010 3.853 4.545 . 0 0 "[ . 1 . 2]" 1
1583 1 100 GLU QB 1 101 LEU HA 4.500 . 6.500 4.689 4.008 4.890 . 0 0 "[ . 1 . 2]" 1
1584 1 100 GLU HG2 1 102 LEU HB2 4.000 . 6.000 4.693 3.749 5.517 . 0 0 "[ . 1 . 2]" 1
1585 1 101 LEU H 1 101 LEU HA 3.000 . 3.500 2.846 2.840 2.925 . 0 0 "[ . 1 . 2]" 1
1586 1 101 LEU H 1 101 LEU HB2 2.500 . 2.700 2.192 2.103 2.681 . 0 0 "[ . 1 . 2]" 1
1587 1 101 LEU H 1 101 LEU HB3 3.000 . 3.500 3.470 3.406 3.507 0.007 13 0 "[ . 1 . 2]" 1
1588 1 101 LEU H 1 101 LEU QD 4.500 . 6.500 2.883 2.085 3.937 . 0 0 "[ . 1 . 2]" 1
1589 1 101 LEU HA 1 102 LEU H 2.500 . 2.700 2.233 2.140 2.345 . 0 0 "[ . 1 . 2]" 1
1590 1 101 LEU H 1 102 LEU H 3.500 . 5.000 4.579 4.390 4.630 . 0 0 "[ . 1 . 2]" 1
1591 1 101 LEU HB2 1 102 LEU H 3.500 . 5.000 4.217 3.950 4.496 . 0 0 "[ . 1 . 2]" 1
1592 1 101 LEU HB3 1 102 LEU H 3.500 . 5.000 3.067 2.631 3.596 . 0 0 "[ . 1 . 2]" 1
1593 1 101 LEU QD 1 102 LEU H 4.000 . 5.500 3.255 2.372 4.176 . 0 0 "[ . 1 . 2]" 1
1594 1 101 LEU HB3 1 103 PRO HD2 3.500 . 5.000 4.492 4.357 4.656 . 0 0 "[ . 1 . 2]" 1
1595 1 101 LEU HB3 1 103 PRO HD3 3.500 . 5.000 2.914 2.789 3.007 . 0 0 "[ . 1 . 2]" 1
1596 1 102 LEU H 1 102 LEU HA 3.000 . 3.500 2.933 2.894 2.949 . 0 0 "[ . 1 . 2]" 1
1597 1 102 LEU H 1 102 LEU HB3 3.000 . 3.500 3.001 2.849 3.240 . 0 0 "[ . 1 . 2]" 1
1598 1 102 LEU H 1 102 LEU HB2 3.000 . 3.500 2.805 2.504 3.086 . 0 0 "[ . 1 . 2]" 1
1599 1 102 LEU H 1 102 LEU MD1 4.000 . 5.500 4.062 3.839 4.212 . 0 0 "[ . 1 . 2]" 1
1600 1 102 LEU HA 1 103 PRO HD2 3.000 . 3.500 2.064 2.023 2.107 . 0 0 "[ . 1 . 2]" 1
1601 1 102 LEU HA 1 103 PRO HD3 3.000 . 3.500 2.664 2.599 2.722 . 0 0 "[ . 1 . 2]" 1
1602 1 102 LEU MD1 1 103 PRO HD2 4.000 . 5.500 3.159 2.769 3.703 . 0 0 "[ . 1 . 2]" 1
1603 1 102 LEU MD1 1 103 PRO HD3 4.000 . 5.500 4.196 3.976 4.544 . 0 0 "[ . 1 . 2]" 1
1604 1 102 LEU HB3 1 103 PRO HD2 3.500 . 5.000 4.681 4.620 4.719 . 0 0 "[ . 1 . 2]" 1
1605 1 102 LEU HA 1 103 PRO HA 3.500 . 5.000 4.593 4.585 4.603 . 0 0 "[ . 1 . 2]" 1
1606 1 102 LEU HB2 1 103 PRO HD2 3.500 . 5.000 4.704 4.637 4.775 . 0 0 "[ . 1 . 2]" 1
1607 1 102 LEU MD1 1 104 LEU QD 4.000 . 5.500 3.661 3.345 4.328 . 0 0 "[ . 1 . 2]" 1
1608 1 102 LEU HG 1 104 LEU H 3.500 . 5.000 4.962 4.639 5.002 0.002 12 0 "[ . 1 . 2]" 1
1609 1 103 PRO HA 1 103 PRO HD2 3.500 . 5.000 4.098 4.093 4.100 . 0 0 "[ . 1 . 2]" 1
1610 1 103 PRO HA 1 103 PRO HD3 3.500 . 5.000 3.671 3.625 3.725 . 0 0 "[ . 1 . 2]" 1
1611 1 103 PRO HA 1 104 LEU H 2.500 . 2.700 2.232 2.181 2.363 . 0 0 "[ . 1 . 2]" 1
1612 1 103 PRO HA 1 104 LEU HA 3.500 . 5.000 4.463 4.427 4.556 . 0 0 "[ . 1 . 2]" 1
1613 1 103 PRO HA 1 104 LEU HG 3.500 . 5.000 4.053 3.719 4.265 . 0 0 "[ . 1 . 2]" 1
1614 1 104 LEU HA 1 105 ALA H 2.500 . 2.700 2.403 2.400 2.406 . 0 0 "[ . 1 . 2]" 1
1615 1 104 LEU HB2 1 105 ALA H 3.000 . 3.500 3.487 3.374 3.508 0.008 8 0 "[ . 1 . 2]" 1
1616 1 104 LEU HB3 1 105 ALA H 3.500 . 5.000 2.455 2.436 2.508 . 0 0 "[ . 1 . 2]" 1
1617 1 104 LEU QD 1 105 ALA H 4.500 . 6.500 3.436 3.345 3.574 . 0 0 "[ . 1 . 2]" 1
1618 1 104 LEU HA 1 105 ALA MB 4.000 . 5.500 3.839 3.774 3.947 . 0 0 "[ . 1 . 2]" 1
1619 1 104 LEU HB2 1 106 VAL MG2 4.000 . 5.500 3.601 3.304 3.993 . 0 0 "[ . 1 . 2]" 1
1620 1 104 LEU HB3 1 106 VAL MG2 4.000 . 5.500 3.589 3.146 3.766 . 0 0 "[ . 1 . 2]" 1
1621 1 104 LEU QD 1 141 THR H 4.500 . 6.500 4.166 2.309 5.622 . 0 0 "[ . 1 . 2]" 1
1622 1 105 ALA H 1 105 ALA HA 3.000 . 3.500 2.943 2.929 2.949 . 0 0 "[ . 1 . 2]" 1
1623 1 105 ALA HA 1 106 VAL HB 3.500 . 5.000 4.687 4.601 4.860 . 0 0 "[ . 1 . 2]" 1
1624 1 105 ALA HA 1 106 VAL H 2.500 . 2.700 2.199 2.144 2.270 . 0 0 "[ . 1 . 2]" 1
1625 1 105 ALA H 1 106 VAL H 3.500 . 5.000 4.336 3.953 4.517 . 0 0 "[ . 1 . 2]" 1
1626 1 105 ALA HA 1 106 VAL MG2 4.000 . 5.500 3.489 3.305 3.818 . 0 0 "[ . 1 . 2]" 1
1627 1 105 ALA MB 1 106 VAL H 4.000 . 5.500 3.018 2.762 3.471 . 0 0 "[ . 1 . 2]" 1
1628 1 105 ALA MB 1 106 VAL HA 4.000 . 5.500 3.962 3.859 4.196 . 0 0 "[ . 1 . 2]" 1
1629 1 105 ALA H 1 128 LEU MD2 4.500 . 6.500 5.378 3.664 6.504 0.004 3 0 "[ . 1 . 2]" 1
1630 1 105 ALA H 1 129 LEU QB 4.000 . 5.500 5.018 3.472 5.502 0.002 5 0 "[ . 1 . 2]" 1
1631 1 105 ALA MB 1 129 LEU H 4.000 . 5.500 3.680 3.170 4.412 . 0 0 "[ . 1 . 2]" 1
1632 1 105 ALA MB 1 129 LEU QB 4.500 . 6.500 2.864 2.144 3.826 . 0 0 "[ . 1 . 2]" 1
1633 1 106 VAL H 1 106 VAL HA 3.000 . 3.500 2.923 2.899 2.951 . 0 0 "[ . 1 . 2]" 1
1634 1 106 VAL H 1 106 VAL HB 3.000 . 3.500 2.901 2.685 3.010 . 0 0 "[ . 1 . 2]" 1
1635 1 106 VAL H 1 106 VAL MG1 4.000 . 5.500 3.956 3.867 4.001 . 0 0 "[ . 1 . 2]" 1
1636 1 106 VAL H 1 106 VAL MG2 4.000 . 5.500 2.841 2.551 2.962 . 0 0 "[ . 1 . 2]" 1
1637 1 106 VAL HA 1 107 ARG H 2.500 . 2.700 2.210 2.142 2.366 . 0 0 "[ . 1 . 2]" 1
1638 1 106 VAL MG1 1 107 ARG H 4.000 . 5.500 2.345 1.892 2.988 . 0 0 "[ . 1 . 2]" 1
1639 1 106 VAL MG2 1 107 ARG H 4.500 . 6.500 4.061 3.888 4.244 . 0 0 "[ . 1 . 2]" 1
1640 1 106 VAL MG1 1 108 MET H 4.500 . 6.500 4.670 4.227 5.035 . 0 0 "[ . 1 . 2]" 1
1641 1 106 VAL MG1 1 108 MET HA 4.500 . 6.500 4.112 3.910 4.311 . 0 0 "[ . 1 . 2]" 1
1642 1 106 VAL MG1 1 126 GLY H 4.500 . 6.500 4.453 3.964 5.264 . 0 0 "[ . 1 . 2]" 1
1643 1 106 VAL MG1 1 127 MET H 4.500 . 6.500 3.046 1.946 3.615 . 0 0 "[ . 1 . 2]" 1
1644 1 106 VAL HA 1 127 MET HA 4.000 . 6.000 5.548 5.085 5.991 . 0 0 "[ . 1 . 2]" 1
1645 1 106 VAL MG1 1 127 MET HA 4.500 . 6.500 3.656 3.203 4.361 . 0 0 "[ . 1 . 2]" 1
1646 1 106 VAL MG1 1 128 LEU HA 4.500 . 6.500 2.692 1.975 3.389 . 0 0 "[ . 1 . 2]" 1
1647 1 106 VAL HA 1 128 LEU H 3.500 . 5.000 4.853 4.425 5.010 0.010 13 0 "[ . 1 . 2]" 1
1648 1 106 VAL MG1 1 128 LEU H 4.000 . 5.500 3.677 3.276 4.574 . 0 0 "[ . 1 . 2]" 1
1649 1 106 VAL HA 1 128 LEU HA 3.500 . 5.000 2.500 1.994 3.358 . 0 0 "[ . 1 . 2]" 1
1650 1 106 VAL HA 1 128 LEU HG 4.000 . 6.000 5.069 3.431 5.754 . 0 0 "[ . 1 . 2]" 1
1651 1 106 VAL MG2 1 128 LEU HA 4.000 . 5.500 2.907 1.968 3.573 . 0 0 "[ . 1 . 2]" 1
1652 1 106 VAL HB 1 128 LEU HA 4.000 . 6.000 4.847 4.334 5.437 . 0 0 "[ . 1 . 2]" 1
1653 1 106 VAL HA 1 128 LEU MD2 4.000 . 5.500 4.518 3.454 5.502 0.002 19 0 "[ . 1 . 2]" 1
1654 1 106 VAL HA 1 129 LEU H 3.000 . 3.500 3.020 2.020 3.503 0.003 5 0 "[ . 1 . 2]" 1
1655 1 106 VAL MG1 1 174 VAL HB 4.500 . 6.500 4.232 3.081 5.121 . 0 0 "[ . 1 . 2]" 1
1656 1 106 VAL MG1 1 174 VAL MG2 4.000 . 5.500 2.081 1.796 2.604 0.004 12 0 "[ . 1 . 2]" 1
1657 1 106 VAL MG2 1 174 VAL MG2 4.000 . 5.500 2.871 1.902 3.756 . 0 0 "[ . 1 . 2]" 1
1658 1 106 VAL HB 1 174 VAL MG2 4.500 . 6.500 3.930 3.242 5.276 . 0 0 "[ . 1 . 2]" 1
1659 1 107 ARG H 1 107 ARG QB 3.500 . 4.000 2.258 2.104 2.506 . 0 0 "[ . 1 . 2]" 1
1660 1 107 ARG H 1 107 ARG QG 4.000 . 5.500 3.749 3.094 4.097 . 0 0 "[ . 1 . 2]" 1
1661 1 107 ARG H 1 107 ARG QD 4.000 . 5.500 4.401 3.640 4.774 . 0 0 "[ . 1 . 2]" 1
1662 1 107 ARG HA 1 108 MET H 2.500 . 2.700 2.184 2.140 2.242 . 0 0 "[ . 1 . 2]" 1
1663 1 107 ARG H 1 108 MET H 4.000 . 6.000 4.507 4.345 4.621 . 0 0 "[ . 1 . 2]" 1
1664 1 107 ARG H 1 108 MET HA 4.000 . 6.000 5.268 4.956 5.592 . 0 0 "[ . 1 . 2]" 1
1665 1 107 ARG QB 1 108 MET H 4.000 . 6.000 3.473 2.908 3.837 . 0 0 "[ . 1 . 2]" 1
1666 1 107 ARG QG 1 108 MET H 4.000 . 6.000 2.930 2.377 3.715 . 0 0 "[ . 1 . 2]" 1
1667 1 107 ARG QD 1 108 MET H 4.500 . 6.000 4.398 2.691 5.057 . 0 0 "[ . 1 . 2]" 1
1668 1 107 ARG HA 1 108 MET QB 4.500 . 6.500 4.241 3.953 4.547 . 0 0 "[ . 1 . 2]" 1
1669 1 107 ARG H 1 126 GLY QA 3.500 . 5.000 4.333 3.588 5.002 0.002 14 0 "[ . 1 . 2]" 1
1670 1 107 ARG H 1 127 MET H 3.000 . 3.500 3.342 2.893 3.504 0.004 5 0 "[ . 1 . 2]" 1
1671 1 107 ARG QB 1 127 MET QB 4.500 . 6.500 2.863 1.873 3.472 . 0 0 "[ . 1 . 2]" 1
1672 1 107 ARG H 1 127 MET QB 4.000 . 5.500 3.843 2.935 4.446 . 0 0 "[ . 1 . 2]" 1
1673 1 107 ARG H 1 127 MET QG 4.500 . 6.500 5.322 4.588 5.943 . 0 0 "[ . 1 . 2]" 1
1674 1 107 ARG QB 1 127 MET H 3.500 . 5.000 2.962 2.277 3.385 . 0 0 "[ . 1 . 2]" 1
1675 1 107 ARG QG 1 127 MET H 4.500 . 6.500 4.818 3.840 5.396 . 0 0 "[ . 1 . 2]" 1
1676 1 107 ARG HA 1 127 MET H 4.000 . 6.000 4.775 4.307 5.204 . 0 0 "[ . 1 . 2]" 1
1677 1 107 ARG H 1 128 LEU H 4.000 . 6.000 4.780 4.324 5.405 . 0 0 "[ . 1 . 2]" 1
1678 1 107 ARG H 1 128 LEU HA 3.500 . 5.000 3.466 2.268 4.626 . 0 0 "[ . 1 . 2]" 1
1679 1 107 ARG H 1 129 LEU H 3.500 . 5.000 4.277 3.030 5.000 . 0 0 "[ . 1 . 2]" 1
1680 1 107 ARG H 1 129 LEU MD1 4.000 . 5.500 3.512 2.365 4.865 . 0 0 "[ . 1 . 2]" 1
1681 1 107 ARG H 1 129 LEU MD2 4.000 . 5.500 4.755 3.721 5.500 . 17 0 "[ . 1 . 2]" 1
1682 1 108 MET H 1 108 MET HA 3.000 . 3.500 2.866 2.798 2.932 . 0 0 "[ . 1 . 2]" 1
1683 1 108 MET H 1 108 MET QB 3.500 . 4.000 2.257 2.098 2.605 . 0 0 "[ . 1 . 2]" 1
1684 1 108 MET H 1 108 MET QG 3.500 . 4.000 2.859 2.283 3.956 . 0 0 "[ . 1 . 2]" 1
1685 1 108 MET HA 1 109 GLY H 2.500 . 2.700 2.233 2.156 2.284 . 0 0 "[ . 1 . 2]" 1
1686 1 108 MET H 1 109 GLY H 3.500 . 5.000 4.590 4.493 4.640 . 0 0 "[ . 1 . 2]" 1
1687 1 108 MET QB 1 109 GLY H 3.500 . 4.000 2.950 2.707 3.541 . 0 0 "[ . 1 . 2]" 1
1688 1 108 MET HA 1 126 GLY QA 3.000 . 3.200 2.782 2.424 3.200 . 0 0 "[ . 1 . 2]" 1
1689 1 108 MET HA 1 127 MET H 3.500 . 5.000 4.338 3.924 5.000 . 0 0 "[ . 1 . 2]" 1
1690 1 109 GLY QA 1 110 ALA H 3.000 . 3.200 2.136 2.108 2.256 . 0 0 "[ . 1 . 2]" 1
1691 1 109 GLY H 1 110 ALA H 3.500 . 5.000 3.869 3.543 4.366 . 0 0 "[ . 1 . 2]" 1
1692 1 109 GLY QA 1 110 ALA HA 4.000 . 5.500 3.946 3.936 3.951 . 0 0 "[ . 1 . 2]" 1
1693 1 109 GLY QA 1 110 ALA MB 4.500 . 6.500 3.675 3.648 3.703 . 0 0 "[ . 1 . 2]" 1
1694 1 109 GLY H 1 110 ALA HA 4.000 . 6.000 5.020 4.871 5.226 . 0 0 "[ . 1 . 2]" 1
1695 1 109 GLY H 1 126 GLY QA 3.500 . 4.000 2.937 2.527 3.403 . 0 0 "[ . 1 . 2]" 1
1696 1 109 GLY H 1 126 GLY H 4.000 . 6.000 4.644 4.299 5.330 . 0 0 "[ . 1 . 2]" 1
1697 1 109 GLY H 1 124 GLN QB 4.000 . 5.500 4.315 3.438 5.008 . 0 0 "[ . 1 . 2]" 1
1698 1 109 GLY H 1 124 GLN QG 4.500 . 6.500 3.600 2.467 4.805 . 0 0 "[ . 1 . 2]" 1
1699 1 109 GLY QA 1 126 GLY QA 4.500 . 6.500 3.272 2.545 4.186 . 0 0 "[ . 1 . 2]" 1
1700 1 109 GLY H 1 127 MET H 3.500 . 5.000 4.892 4.603 5.002 0.002 13 0 "[ . 1 . 2]" 1
1701 1 110 ALA H 1 110 ALA HA 3.000 . 3.500 2.947 2.936 2.948 . 0 0 "[ . 1 . 2]" 1
1702 1 110 ALA HA 1 111 ILE H 2.500 . 2.700 2.308 2.174 2.344 . 0 0 "[ . 1 . 2]" 1
1703 1 110 ALA H 1 111 ILE H 4.000 . 6.000 4.510 4.439 4.549 . 0 0 "[ . 1 . 2]" 1
1704 1 110 ALA HA 1 111 ILE HB 3.500 . 5.000 4.631 4.371 4.973 . 0 0 "[ . 1 . 2]" 1
1705 1 110 ALA HA 1 111 ILE QG 4.500 . 6.500 5.068 3.289 5.951 . 0 0 "[ . 1 . 2]" 1
1706 1 110 ALA HA 1 111 ILE MD 4.500 . 6.500 5.112 2.825 6.113 . 0 0 "[ . 1 . 2]" 1
1707 1 110 ALA MB 1 111 ILE H 3.500 . 4.000 2.660 2.526 2.979 . 0 0 "[ . 1 . 2]" 1
1708 1 110 ALA HA 1 111 ILE MG 4.500 . 6.500 4.465 3.779 5.483 . 0 0 "[ . 1 . 2]" 1
1709 1 110 ALA HA 1 111 ILE HA 3.500 . 5.000 4.344 4.305 4.420 . 0 0 "[ . 1 . 2]" 1
1710 1 110 ALA H 1 124 GLN QG 3.500 . 5.000 4.319 3.596 5.001 0.001 5 0 "[ . 1 . 2]" 1
1711 1 110 ALA H 1 124 GLN HA 3.500 . 5.000 5.000 4.978 5.004 0.004 13 0 "[ . 1 . 2]" 1
1712 1 110 ALA H 1 125 SER HA 4.000 . 6.000 5.649 4.944 6.000 0.000 7 0 "[ . 1 . 2]" 1
1713 1 110 ALA H 1 125 SER HB3 4.000 . 6.000 4.654 2.745 5.683 . 0 0 "[ . 1 . 2]" 1
1714 1 110 ALA H 1 126 GLY HA2 4.000 . 6.000 5.420 4.660 6.373 0.373 13 0 "[ . 1 . 2]" 1
1715 1 110 ALA H 1 126 GLY QA 4.000 . 6.000 5.188 4.484 6.044 0.044 13 0 "[ . 1 . 2]" 1
1716 1 111 ILE H 1 111 ILE HA 3.000 . 3.500 2.897 2.820 2.949 . 0 0 "[ . 1 . 2]" 1
1717 1 111 ILE H 1 111 ILE HB 3.000 . 3.500 2.706 2.539 3.085 . 0 0 "[ . 1 . 2]" 1
1718 1 111 ILE H 1 111 ILE MG 3.500 . 4.000 2.622 1.956 3.816 . 0 0 "[ . 1 . 2]" 1
1719 1 111 ILE H 1 111 ILE MD 4.500 . 6.500 3.787 1.922 4.514 . 0 0 "[ . 1 . 2]" 1
1720 1 111 ILE HA 1 112 ALA H 2.500 . 2.700 2.167 2.140 2.277 . 0 0 "[ . 1 . 2]" 1
1721 1 111 ILE H 1 112 ALA H 4.000 . 6.000 4.455 4.208 4.622 . 0 0 "[ . 1 . 2]" 1
1722 1 111 ILE HB 1 112 ALA H 3.500 . 5.000 4.204 3.816 4.388 . 0 0 "[ . 1 . 2]" 1
1723 1 111 ILE MG 1 112 ALA H 4.000 . 5.500 3.502 2.078 4.114 . 0 0 "[ . 1 . 2]" 1
1724 1 111 ILE QG 1 112 ALA H 4.500 . 6.500 3.248 1.964 4.812 . 0 0 "[ . 1 . 2]" 1
1725 1 111 ILE MD 1 112 ALA H 4.500 . 6.500 4.160 2.810 5.393 . 0 0 "[ . 1 . 2]" 1
1726 1 111 ILE HA 1 123 GLY H 3.500 . 5.000 4.620 4.217 5.000 . 0 0 "[ . 1 . 2]" 1
1727 1 111 ILE HA 1 123 GLY QA 4.000 . 5.500 4.909 4.399 5.297 . 0 0 "[ . 1 . 2]" 1
1728 1 111 ILE HA 1 124 GLN QB 4.000 . 5.500 3.854 3.336 4.710 . 0 0 "[ . 1 . 2]" 1
1729 1 111 ILE HA 1 124 GLN QG 3.500 . 4.500 2.858 1.987 4.061 . 0 0 "[ . 1 . 2]" 1
1730 1 111 ILE H 1 124 GLN QG 4.000 . 5.500 3.848 3.091 4.793 . 0 0 "[ . 1 . 2]" 1
1731 1 111 ILE HA 1 124 GLN HA 3.000 . 3.500 2.421 1.998 3.128 . 0 0 "[ . 1 . 2]" 1
1732 1 112 ALA H 1 112 ALA HA 3.000 . 3.500 2.926 2.912 2.944 . 0 0 "[ . 1 . 2]" 1
1733 1 112 ALA HA 1 113 SER H 2.500 . 2.700 2.328 2.151 2.559 . 0 0 "[ . 1 . 2]" 1
1734 1 112 ALA H 1 113 SER H 3.500 . 5.000 4.371 4.177 4.451 . 0 0 "[ . 1 . 2]" 1
1735 1 112 ALA H 1 113 SER HA 4.000 . 6.000 4.769 4.595 4.902 . 0 0 "[ . 1 . 2]" 1
1736 1 112 ALA HA 1 113 SER HA 4.000 . 6.000 4.357 4.332 4.377 . 0 0 "[ . 1 . 2]" 1
1737 1 112 ALA MB 1 113 SER H 3.500 . 4.500 2.644 2.093 3.139 . 0 0 "[ . 1 . 2]" 1
1738 1 112 ALA MB 1 113 SER HA 4.000 . 5.500 4.219 4.056 4.425 . 0 0 "[ . 1 . 2]" 1
1739 1 112 ALA H 1 114 MET HG3 4.000 . 6.000 5.668 4.707 6.001 0.001 5 0 "[ . 1 . 2]" 1
1740 1 112 ALA MB 1 114 MET H 4.500 . 6.500 4.405 3.790 4.653 . 0 0 "[ . 1 . 2]" 1
1741 1 112 ALA MB 1 114 MET HG2 3.500 . 4.500 3.901 3.079 4.433 . 0 0 "[ . 1 . 2]" 1
1742 1 112 ALA MB 1 114 MET HG3 3.500 . 4.500 4.073 3.093 4.501 0.001 17 0 "[ . 1 . 2]" 1
1743 1 112 ALA H 1 122 HIS HA 3.500 . 5.000 4.630 3.937 5.000 . 0 0 "[ . 1 . 2]" 1
1744 1 112 ALA H 1 123 GLY H 3.000 . 3.500 3.304 2.688 3.501 0.001 10 0 "[ . 1 . 2]" 1
1745 1 112 ALA H 1 123 GLY QA 4.000 . 5.500 4.470 3.883 4.777 . 0 0 "[ . 1 . 2]" 1
1746 1 112 ALA H 1 124 GLN HA 3.500 . 5.000 3.434 2.989 4.072 . 0 0 "[ . 1 . 2]" 1
1747 1 112 ALA H 1 124 GLN H 4.000 . 6.000 5.115 4.406 5.774 . 0 0 "[ . 1 . 2]" 1
1748 1 112 ALA H 1 124 GLN QB 4.500 . 6.500 5.126 4.635 5.633 . 0 0 "[ . 1 . 2]" 1
1749 1 112 ALA H 1 124 GLN QG 4.500 . 6.500 4.590 3.552 5.396 . 0 0 "[ . 1 . 2]" 1
1750 1 113 SER H 1 113 SER HA 3.000 . 3.500 2.910 2.848 2.935 . 0 0 "[ . 1 . 2]" 1
1751 1 113 SER H 1 113 SER QB 3.500 . 4.000 2.536 2.171 2.936 . 0 0 "[ . 1 . 2]" 1
1752 1 113 SER HA 1 114 MET H 2.500 . 2.700 2.174 2.142 2.291 . 0 0 "[ . 1 . 2]" 1
1753 1 113 SER H 1 114 MET H 3.500 . 5.000 4.248 3.990 4.385 . 0 0 "[ . 1 . 2]" 1
1754 1 113 SER QB 1 114 MET H 3.500 . 4.500 3.694 3.425 3.977 . 0 0 "[ . 1 . 2]" 1
1755 1 113 SER HA 1 114 MET HB2 3.500 . 5.000 4.349 4.285 4.451 . 0 0 "[ . 1 . 2]" 1
1756 1 113 SER HA 1 121 VAL H 3.500 . 5.000 4.169 3.833 4.844 . 0 0 "[ . 1 . 2]" 1
1757 1 113 SER HA 1 122 HIS HA 3.000 . 3.500 2.284 1.999 2.683 . 0 0 "[ . 1 . 2]" 1
1758 1 113 SER H 1 122 HIS HD2 3.500 . 5.000 3.969 3.034 5.000 . 0 0 "[ . 1 . 2]" 1
1759 1 113 SER HA 1 122 HIS H 4.000 . 6.000 4.450 4.092 5.071 . 0 0 "[ . 1 . 2]" 1
1760 1 113 SER QB 1 122 HIS H 4.500 . 6.500 5.088 4.202 6.409 . 0 0 "[ . 1 . 2]" 1
1761 1 113 SER QB 1 122 HIS HA 4.000 . 5.500 3.739 2.934 4.558 . 0 0 "[ . 1 . 2]" 1
1762 1 113 SER HA 1 123 GLY H 3.000 . 3.500 3.399 2.918 3.502 0.002 13 0 "[ . 1 . 2]" 1
1763 1 113 SER H 1 123 GLY H 4.000 . 6.000 5.069 4.689 5.334 . 0 0 "[ . 1 . 2]" 1
1764 1 113 SER HA 1 123 GLY QA 4.500 . 6.500 5.234 4.884 5.433 . 0 0 "[ . 1 . 2]" 1
1765 1 114 MET HA 1 115 ARG H 2.500 . 2.700 2.323 2.194 2.586 . 0 0 "[ . 1 . 2]" 1
1766 1 114 MET H 1 114 MET HA 3.000 . 3.500 2.905 2.836 2.937 . 0 0 "[ . 1 . 2]" 1
1767 1 114 MET H 1 114 MET HB2 3.000 . 3.500 2.230 2.196 2.295 . 0 0 "[ . 1 . 2]" 1
1768 1 114 MET H 1 114 MET HB3 3.000 . 3.500 3.501 3.500 3.504 0.004 13 0 "[ . 1 . 2]" 1
1769 1 114 MET H 1 114 MET HG2 3.500 . 5.000 3.578 3.065 3.985 . 0 0 "[ . 1 . 2]" 1
1770 1 114 MET H 1 114 MET HG3 3.500 . 5.000 3.526 3.175 3.878 . 0 0 "[ . 1 . 2]" 1
1771 1 114 MET H 1 115 ARG H 4.000 . 6.000 4.573 4.480 4.624 . 0 0 "[ . 1 . 2]" 1
1772 1 114 MET HG2 1 115 ARG H 4.000 . 6.000 3.833 3.467 4.161 . 0 0 "[ . 1 . 2]" 1
1773 1 114 MET HG3 1 115 ARG H 3.500 . 5.000 4.854 4.536 5.001 0.001 4 0 "[ . 1 . 2]" 1
1774 1 114 MET HB2 1 115 ARG H 3.500 . 5.000 4.023 3.599 4.276 . 0 0 "[ . 1 . 2]" 1
1775 1 114 MET H 1 116 ILE MD 4.000 . 5.500 4.780 3.870 5.501 0.001 13 0 "[ . 1 . 2]" 1
1776 1 114 MET HB3 1 116 ILE MD 4.000 . 5.500 2.950 2.023 4.207 . 0 0 "[ . 1 . 2]" 1
1777 1 114 MET HB3 1 116 ILE HG12 4.000 . 6.000 4.057 3.209 4.805 . 0 0 "[ . 1 . 2]" 1
1778 1 114 MET HG3 1 116 ILE MD 4.500 . 6.500 4.829 4.181 5.483 . 0 0 "[ . 1 . 2]" 1
1779 1 114 MET H 1 120 LEU HA 3.500 . 5.000 4.927 4.689 5.001 0.001 1 0 "[ . 1 . 2]" 1
1780 1 114 MET H 1 120 LEU MD2 4.000 . 5.500 4.889 4.162 5.495 . 0 0 "[ . 1 . 2]" 1
1781 1 114 MET H 1 121 VAL H 3.000 . 3.500 3.382 3.024 3.501 0.001 5 0 "[ . 1 . 2]" 1
1782 1 114 MET HB2 1 121 VAL H 3.500 . 5.000 4.201 3.798 4.533 . 0 0 "[ . 1 . 2]" 1
1783 1 114 MET HB3 1 121 VAL H 3.500 . 5.000 4.622 4.273 4.894 . 0 0 "[ . 1 . 2]" 1
1784 1 114 MET HA 1 121 VAL H 3.500 . 5.000 4.639 4.454 4.773 . 0 0 "[ . 1 . 2]" 1
1785 1 114 MET H 1 122 HIS HA 3.500 . 5.000 3.369 2.786 3.692 . 0 0 "[ . 1 . 2]" 1
1786 1 114 MET H 1 122 HIS H 4.000 . 6.000 4.951 4.442 5.293 . 0 0 "[ . 1 . 2]" 1
1787 1 114 MET HG2 1 123 GLY H 4.000 . 6.000 5.891 5.485 6.003 0.003 12 0 "[ . 1 . 2]" 1
1788 1 115 ARG HA 1 116 ILE H 2.500 . 2.700 2.150 2.139 2.186 . 0 0 "[ . 1 . 2]" 1
1789 1 115 ARG H 1 115 ARG QB 3.000 . 3.200 2.424 2.298 2.571 . 0 0 "[ . 1 . 2]" 1
1790 1 115 ARG H 1 115 ARG HG2 3.500 . 5.000 4.542 4.400 4.739 . 0 0 "[ . 1 . 2]" 1
1791 1 115 ARG H 1 115 ARG HG3 3.500 . 5.000 4.590 4.313 4.854 . 0 0 "[ . 1 . 2]" 1
1792 1 115 ARG H 1 115 ARG QD 4.500 . 6.500 4.665 4.340 5.119 . 0 0 "[ . 1 . 2]" 1
1793 1 115 ARG H 1 116 ILE HG13 4.000 . 6.000 4.293 3.575 5.934 . 0 0 "[ . 1 . 2]" 1
1794 1 115 ARG HG2 1 116 ILE H 3.500 . 5.000 3.033 2.429 3.734 . 0 0 "[ . 1 . 2]" 1
1795 1 115 ARG H 1 116 ILE H 4.000 . 6.000 4.354 4.115 4.514 . 0 0 "[ . 1 . 2]" 1
1796 1 115 ARG QB 1 116 ILE H 4.500 . 6.500 3.763 3.620 3.903 . 0 0 "[ . 1 . 2]" 1
1797 1 115 ARG QB 1 118 GLY H 4.500 . 6.500 4.552 4.018 5.320 . 0 0 "[ . 1 . 2]" 1
1798 1 115 ARG HG2 1 118 GLY H 3.500 . 5.000 2.866 2.205 3.499 . 0 0 "[ . 1 . 2]" 1
1799 1 115 ARG HG3 1 118 GLY H 3.500 . 5.000 4.283 3.490 5.000 . 0 0 "[ . 1 . 2]" 1
1800 1 115 ARG QD 1 118 GLY H 4.000 . 5.500 3.787 2.845 4.728 . 0 0 "[ . 1 . 2]" 1
1801 1 115 ARG HG2 1 119 ARG H 3.500 . 5.000 3.009 2.345 4.398 . 0 0 "[ . 1 . 2]" 1
1802 1 115 ARG HG3 1 119 ARG H 3.500 . 5.000 3.723 2.849 4.947 . 0 0 "[ . 1 . 2]" 1
1803 1 115 ARG QB 1 119 ARG H 4.500 . 6.500 4.775 4.353 5.644 . 0 0 "[ . 1 . 2]" 1
1804 1 115 ARG HA 1 119 ARG H 3.500 . 5.000 3.956 3.547 4.961 . 0 0 "[ . 1 . 2]" 1
1805 1 115 ARG QD 1 118 GLY HA3 4.000 . 5.500 4.629 3.700 5.501 0.001 2 0 "[ . 1 . 2]" 1
1806 1 115 ARG QD 1 118 GLY HA2 4.000 . 5.500 3.044 2.010 3.947 . 0 0 "[ . 1 . 2]" 1
1807 1 115 ARG QB 1 120 LEU MD2 4.500 . 6.500 2.536 1.923 3.199 . 0 0 "[ . 1 . 2]" 1
1808 1 115 ARG QD 1 120 LEU MD2 4.500 . 6.500 3.553 2.234 4.702 . 0 0 "[ . 1 . 2]" 1
1809 1 115 ARG H 1 120 LEU MD2 4.000 . 5.500 4.127 3.252 4.837 . 0 0 "[ . 1 . 2]" 1
1810 1 115 ARG HA 1 120 LEU H 4.000 . 6.000 4.475 4.190 4.822 . 0 0 "[ . 1 . 2]" 1
1811 1 115 ARG QB 1 120 LEU HA 4.000 . 5.500 3.855 3.264 4.506 . 0 0 "[ . 1 . 2]" 1
1812 1 115 ARG HG3 1 120 LEU H 3.500 . 5.000 4.267 3.526 5.001 0.001 20 0 "[ . 1 . 2]" 1
1813 1 115 ARG H 1 120 LEU HA 4.000 . 6.000 4.710 4.349 4.970 . 0 0 "[ . 1 . 2]" 1
1814 1 115 ARG HA 1 120 LEU HA 3.000 . 3.500 2.427 1.998 2.789 . 0 0 "[ . 1 . 2]" 1
1815 1 115 ARG HA 1 120 LEU MD2 4.000 . 5.500 2.947 1.974 3.509 . 0 0 "[ . 1 . 2]" 1
1816 1 115 ARG HA 1 121 VAL H 3.000 . 3.500 3.363 2.920 3.501 0.001 4 0 "[ . 1 . 2]" 1
1817 1 116 ILE H 1 116 ILE HA 3.000 . 3.500 2.940 2.929 2.949 . 0 0 "[ . 1 . 2]" 1
1818 1 116 ILE H 1 116 ILE HB 3.000 . 3.500 2.817 2.661 2.897 . 0 0 "[ . 1 . 2]" 1
1819 1 116 ILE H 1 116 ILE MG 4.000 . 5.500 3.924 3.856 3.956 . 0 0 "[ . 1 . 2]" 1
1820 1 116 ILE H 1 117 GLN H 3.500 . 5.000 4.144 3.912 4.330 . 0 0 "[ . 1 . 2]" 1
1821 1 116 ILE HB 1 117 GLN HB2 3.500 . 5.000 4.119 3.679 4.536 . 0 0 "[ . 1 . 2]" 1
1822 1 116 ILE HA 1 117 GLN H 3.500 . 5.000 2.153 2.142 2.197 . 0 0 "[ . 1 . 2]" 1
1823 1 116 ILE MG 1 117 GLN HA 4.000 . 5.500 4.112 3.670 4.351 . 0 0 "[ . 1 . 2]" 1
1824 1 116 ILE MG 1 117 GLN QG 4.000 . 5.500 3.621 2.377 4.487 . 0 0 "[ . 1 . 2]" 1
1825 1 116 ILE MG 1 117 GLN HB2 4.000 . 5.500 2.716 2.482 3.103 . 0 0 "[ . 1 . 2]" 1
1826 1 116 ILE HA 1 117 GLN HA 3.500 . 5.000 4.371 4.364 4.396 . 0 0 "[ . 1 . 2]" 1
1827 1 116 ILE HA 1 117 GLN HB2 3.500 . 5.000 4.315 4.168 4.505 . 0 0 "[ . 1 . 2]" 1
1828 1 116 ILE HA 1 117 GLN HB3 4.000 . 6.000 5.353 4.888 5.716 . 0 0 "[ . 1 . 2]" 1
1829 1 116 ILE H 1 118 GLY H 3.500 . 5.000 3.861 3.435 4.153 . 0 0 "[ . 1 . 2]" 1
1830 1 116 ILE HA 1 118 GLY H 3.500 . 5.500 3.764 3.463 3.924 . 0 0 "[ . 1 . 2]" 1
1831 1 116 ILE MG 1 118 GLY H 4.000 . 5.500 4.711 4.400 4.875 . 0 0 "[ . 1 . 2]" 1
1832 1 116 ILE H 1 119 ARG H 3.000 . 3.500 2.695 2.166 3.501 0.001 8 0 "[ . 1 . 2]" 1
1833 1 116 ILE H 1 119 ARG HA 4.000 . 6.000 4.549 4.244 4.818 . 0 0 "[ . 1 . 2]" 1
1834 1 116 ILE HB 1 119 ARG H 3.500 . 5.000 4.322 4.029 4.644 . 0 0 "[ . 1 . 2]" 1
1835 1 116 ILE HA 1 119 ARG H 4.500 . 6.500 4.301 4.176 4.817 . 0 0 "[ . 1 . 2]" 1
1836 1 116 ILE H 1 120 LEU H 4.000 . 6.000 4.773 4.334 5.014 . 0 0 "[ . 1 . 2]" 1
1837 1 116 ILE H 1 121 VAL H 3.500 . 5.000 4.226 3.685 4.876 . 0 0 "[ . 1 . 2]" 1
1838 1 117 GLN H 1 117 GLN HA 3.000 . 3.500 2.274 2.273 2.275 . 0 0 "[ . 1 . 2]" 1
1839 1 117 GLN H 1 117 GLN HB2 3.000 . 3.500 3.193 3.040 3.500 0.000 8 0 "[ . 1 . 2]" 1
1840 1 117 GLN H 1 118 GLY H 3.500 . 5.000 2.666 2.657 2.681 . 0 0 "[ . 1 . 2]" 1
1841 1 117 GLN HA 1 118 GLY H 3.000 . 3.500 2.896 2.857 2.938 . 0 0 "[ . 1 . 2]" 1
1842 1 117 GLN HA 1 118 GLY HA3 3.500 . 5.000 4.360 4.347 4.386 . 0 0 "[ . 1 . 2]" 1
1843 1 117 GLN HB3 1 118 GLY H 4.000 . 6.000 4.235 4.093 4.428 . 0 0 "[ . 1 . 2]" 1
1844 1 117 GLN HB2 1 118 GLY H 3.500 . 5.000 4.330 4.123 4.505 . 0 0 "[ . 1 . 2]" 1
1845 1 117 GLN H 1 119 ARG H 4.000 . 6.000 4.129 4.029 4.324 . 0 0 "[ . 1 . 2]" 1
1846 1 117 GLN HA 1 119 ARG H 3.500 . 5.000 4.589 4.363 4.706 . 0 0 "[ . 1 . 2]" 1
1847 1 117 GLN HB2 1 119 ARG H 3.500 . 5.000 4.524 3.446 5.001 0.001 6 0 "[ . 1 . 2]" 1
1848 1 117 GLN HB3 1 119 ARG H 3.500 . 5.000 4.379 3.293 5.001 0.001 5 0 "[ . 1 . 2]" 1
1849 1 118 GLY H 1 118 GLY HA2 3.000 . 3.500 2.323 2.297 2.372 . 0 0 "[ . 1 . 2]" 1
1850 1 118 GLY H 1 118 GLY HA3 3.000 . 3.500 2.884 2.827 2.933 . 0 0 "[ . 1 . 2]" 1
1851 1 118 GLY H 1 119 ARG H 3.000 . 3.500 2.519 2.319 2.805 . 0 0 "[ . 1 . 2]" 1
1852 1 118 GLY HA2 1 119 ARG H 3.000 . 3.500 3.051 2.938 3.475 . 0 0 "[ . 1 . 2]" 1
1853 1 118 GLY HA3 1 119 ARG H 3.000 . 3.500 3.412 3.005 3.501 0.001 1 0 "[ . 1 . 2]" 1
1854 1 119 ARG H 1 119 ARG QB 3.000 . 3.500 2.559 2.210 3.059 . 0 0 "[ . 1 . 2]" 1
1855 1 119 ARG H 1 119 ARG QG 4.000 . 5.500 3.617 2.571 4.288 . 0 0 "[ . 1 . 2]" 1
1856 1 119 ARG H 1 119 ARG QD 4.000 . 5.500 4.426 2.416 4.963 . 0 0 "[ . 1 . 2]" 1
1857 1 119 ARG HA 1 120 LEU H 2.500 . 2.700 2.182 2.140 2.505 . 0 0 "[ . 1 . 2]" 1
1858 1 119 ARG H 1 120 LEU H 4.000 . 6.000 4.250 4.014 4.545 . 0 0 "[ . 1 . 2]" 1
1859 1 119 ARG H 1 120 LEU MD2 4.000 . 5.500 5.242 4.988 5.501 0.001 14 0 "[ . 1 . 2]" 1
1860 1 119 ARG QG 1 120 LEU H 4.000 . 5.500 3.622 2.568 4.523 . 0 0 "[ . 1 . 2]" 1
1861 1 119 ARG QD 1 120 LEU H 4.000 . 5.500 4.455 2.969 5.501 0.001 4 0 "[ . 1 . 2]" 1
1862 1 120 LEU H 1 120 LEU HA 3.000 . 3.500 2.880 2.820 2.944 . 0 0 "[ . 1 . 2]" 1
1863 1 120 LEU H 1 120 LEU QB 3.500 . 4.000 2.410 2.067 2.569 . 0 0 "[ . 1 . 2]" 1
1864 1 120 LEU H 1 120 LEU HG 3.500 . 5.000 2.655 2.090 4.576 . 0 0 "[ . 1 . 2]" 1
1865 1 120 LEU H 1 120 LEU MD1 4.000 . 5.500 3.445 3.072 4.198 . 0 0 "[ . 1 . 2]" 1
1866 1 120 LEU H 1 120 LEU MD2 4.000 . 5.500 3.710 3.295 3.882 . 0 0 "[ . 1 . 2]" 1
1867 1 120 LEU HA 1 121 VAL H 2.500 . 2.700 2.159 2.139 2.254 . 0 0 "[ . 1 . 2]" 1
1868 1 120 LEU H 1 121 VAL H 3.500 . 5.000 4.472 4.325 4.602 . 0 0 "[ . 1 . 2]" 1
1869 1 120 LEU QB 1 121 VAL H 4.000 . 5.500 3.271 2.760 3.741 . 0 0 "[ . 1 . 2]" 1
1870 1 120 LEU HG 1 121 VAL H 3.500 . 5.000 4.943 4.805 5.002 0.002 17 0 "[ . 1 . 2]" 1
1871 1 120 LEU MD1 1 121 VAL H 4.000 . 5.500 4.906 2.098 5.454 . 0 0 "[ . 1 . 2]" 1
1872 1 121 VAL H 1 121 VAL HA 3.000 . 3.500 2.938 2.912 2.950 . 0 0 "[ . 1 . 2]" 1
1873 1 121 VAL HA 1 122 HIS H 3.000 . 3.500 2.241 2.148 2.536 . 0 0 "[ . 1 . 2]" 1
1874 1 121 VAL H 1 122 HIS H 4.000 . 6.000 4.367 3.844 4.524 . 0 0 "[ . 1 . 2]" 1
1875 1 122 HIS H 1 122 HIS HA 3.000 . 3.500 2.903 2.829 2.944 . 0 0 "[ . 1 . 2]" 1
1876 1 122 HIS H 1 122 HIS HD2 4.000 . 6.000 4.746 3.181 5.548 . 0 0 "[ . 1 . 2]" 1
1877 1 122 HIS HA 1 123 GLY H 2.500 . 2.700 2.156 2.141 2.219 . 0 0 "[ . 1 . 2]" 1
1878 1 122 HIS H 1 123 GLY H 4.000 . 6.000 4.442 4.224 4.602 . 0 0 "[ . 1 . 2]" 1
1879 1 122 HIS HA 1 123 GLY QA 3.500 . 5.000 3.908 3.895 3.920 . 0 0 "[ . 1 . 2]" 1
1880 1 123 GLY QA 1 124 GLN H 3.000 . 3.200 2.181 2.113 2.282 . 0 0 "[ . 1 . 2]" 1
1881 1 123 GLY QA 1 124 GLN QB 4.500 . 6.500 3.872 3.658 4.038 . 0 0 "[ . 1 . 2]" 1
1882 1 123 GLY QA 1 175 VAL MG1 4.500 . 6.500 2.698 2.002 3.642 . 0 0 "[ . 1 . 2]" 1
1883 1 123 GLY QA 1 176 CYS H 4.500 . 6.500 4.678 4.104 5.410 . 0 0 "[ . 1 . 2]" 1
1884 1 124 GLN H 1 124 GLN HA 3.000 . 3.200 2.914 2.830 2.942 . 0 0 "[ . 1 . 2]" 1
1885 1 124 GLN H 1 124 GLN QB 3.500 . 4.000 2.295 2.135 2.584 . 0 0 "[ . 1 . 2]" 1
1886 1 124 GLN H 1 175 VAL MG1 4.500 . 6.500 3.270 2.543 4.322 . 0 0 "[ . 1 . 2]" 1
1887 1 125 SER HA 1 125 SER HB2 3.000 . 3.500 2.903 2.527 3.029 . 0 0 "[ . 1 . 2]" 1
1888 1 125 SER HA 1 125 SER HB3 3.000 . 3.500 2.519 2.283 3.024 . 0 0 "[ . 1 . 2]" 1
1889 1 125 SER HA 1 126 GLY H 2.500 . 2.700 2.398 2.141 2.701 0.001 2 0 "[ . 1 . 2]" 1
1890 1 125 SER HB3 1 126 GLY H 3.000 . 3.500 2.970 2.001 3.501 0.001 5 0 "[ . 1 . 2]" 1
1891 1 125 SER HB2 1 126 GLY H 3.500 . 5.000 3.538 1.998 4.349 . 0 0 "[ . 1 . 2]" 1
1892 1 125 SER HA 1 175 VAL HA 3.000 . 3.500 2.648 1.999 3.499 . 0 0 "[ . 1 . 2]" 1
1893 1 125 SER HA 1 175 VAL MG1 4.500 . 6.500 3.552 2.316 4.482 . 0 0 "[ . 1 . 2]" 1
1894 1 125 SER HA 1 175 VAL MG2 4.500 . 6.500 3.296 1.947 4.307 . 0 0 "[ . 1 . 2]" 1
1895 1 126 GLY QA 1 127 MET H 3.000 . 3.200 2.190 2.119 2.272 . 0 0 "[ . 1 . 2]" 1
1896 1 126 GLY H 1 127 MET H 3.500 . 5.000 4.209 3.423 4.495 . 0 0 "[ . 1 . 2]" 1
1897 1 126 GLY H 1 127 MET HA 3.500 . 5.000 4.660 4.241 5.001 0.001 11 0 "[ . 1 . 2]" 1
1898 1 126 GLY H 1 173 THR HA 3.500 . 5.000 4.167 3.498 5.000 . 0 0 "[ . 1 . 2]" 1
1899 1 126 GLY H 1 174 VAL H 3.000 . 3.500 3.072 2.342 3.506 0.006 13 0 "[ . 1 . 2]" 1
1900 1 126 GLY H 1 174 VAL MG1 4.500 . 6.500 5.327 4.583 5.728 . 0 0 "[ . 1 . 2]" 1
1901 1 126 GLY H 1 174 VAL MG2 4.000 . 5.500 3.387 2.561 4.597 . 0 0 "[ . 1 . 2]" 1
1902 1 126 GLY QA 1 174 VAL H 4.000 . 5.500 3.733 3.137 4.339 . 0 0 "[ . 1 . 2]" 1
1903 1 126 GLY QA 1 174 VAL MG2 4.500 . 6.500 3.013 1.881 4.255 . 0 0 "[ . 1 . 2]" 1
1904 1 126 GLY H 1 175 VAL MG2 4.500 . 6.500 4.393 2.682 4.956 . 0 0 "[ . 1 . 2]" 1
1905 1 126 GLY QA 1 175 VAL HA 4.000 . 6.000 5.029 3.575 6.001 0.001 3 0 "[ . 1 . 2]" 1
1906 1 126 GLY H 1 175 VAL HA 3.500 . 5.000 3.943 2.995 4.665 . 0 0 "[ . 1 . 2]" 1
1907 1 127 MET H 1 127 MET HA 3.000 . 3.500 2.917 2.865 2.948 . 0 0 "[ . 1 . 2]" 1
1908 1 127 MET H 1 127 MET QB 3.500 . 4.000 2.434 2.214 2.804 . 0 0 "[ . 1 . 2]" 1
1909 1 127 MET H 1 127 MET QG 4.000 . 5.500 3.623 2.391 4.311 . 0 0 "[ . 1 . 2]" 1
1910 1 127 MET HA 1 128 LEU H 2.500 . 2.700 2.241 2.140 2.403 . 0 0 "[ . 1 . 2]" 1
1911 1 127 MET H 1 128 LEU H 3.500 . 5.000 4.456 4.009 4.598 . 0 0 "[ . 1 . 2]" 1
1912 1 127 MET HA 1 128 LEU QB 4.500 . 6.500 4.411 4.028 4.707 . 0 0 "[ . 1 . 2]" 1
1913 1 127 MET QB 1 128 LEU H 4.000 . 5.500 3.179 2.614 3.807 . 0 0 "[ . 1 . 2]" 1
1914 1 127 MET QG 1 128 LEU H 3.500 . 4.000 3.006 1.984 4.002 0.002 18 0 "[ . 1 . 2]" 1
1915 1 127 MET HA 1 172 ASN HB3 3.500 . 5.000 4.517 3.431 5.001 0.001 13 0 "[ . 1 . 2]" 1
1916 1 127 MET HA 1 172 ASN HB2 4.000 . 6.000 5.201 4.216 5.999 . 0 0 "[ . 1 . 2]" 1
1917 1 127 MET QG 1 172 ASN HB3 4.000 . 5.500 3.739 1.949 5.131 . 0 0 "[ . 1 . 2]" 1
1918 1 127 MET QG 1 172 ASN HB2 4.000 . 5.500 3.869 2.848 5.095 . 0 0 "[ . 1 . 2]" 1
1919 1 127 MET HA 1 173 THR MG 4.500 . 6.500 3.246 2.297 4.843 . 0 0 "[ . 1 . 2]" 1
1920 1 127 MET HA 1 173 THR HA 3.000 . 3.500 2.423 2.011 3.078 . 0 0 "[ . 1 . 2]" 1
1921 1 127 MET HA 1 173 THR HB 4.000 . 6.000 5.082 4.272 6.002 0.002 4 0 "[ . 1 . 2]" 1
1922 1 127 MET H 1 174 VAL MG2 4.500 . 6.500 4.362 2.904 5.018 . 0 0 "[ . 1 . 2]" 1
1923 1 127 MET HA 1 174 VAL MG2 4.000 . 5.500 3.907 3.307 4.377 . 0 0 "[ . 1 . 2]" 1
1924 1 127 MET HA 1 174 VAL H 3.000 . 3.500 3.469 3.071 3.507 0.007 18 0 "[ . 1 . 2]" 1
1925 1 128 LEU H 1 128 LEU HA 3.000 . 3.500 2.871 2.791 2.945 . 0 0 "[ . 1 . 2]" 1
1926 1 128 LEU H 1 128 LEU QB 3.500 . 4.500 2.519 2.029 3.021 . 0 0 "[ . 1 . 2]" 1
1927 1 128 LEU H 1 128 LEU MD1 4.000 . 5.500 3.138 1.927 4.032 . 0 0 "[ . 1 . 2]" 1
1928 1 128 LEU H 1 128 LEU MD2 4.000 . 5.500 3.542 2.240 4.381 . 0 0 "[ . 1 . 2]" 1
1929 1 128 LEU HA 1 129 LEU H 3.000 . 3.500 2.264 2.138 2.406 . 0 0 "[ . 1 . 2]" 1
1930 1 128 LEU QB 1 129 LEU H 3.500 . 4.500 2.875 2.381 3.439 . 0 0 "[ . 1 . 2]" 1
1931 1 128 LEU HG 1 129 LEU H 3.500 . 5.000 4.502 3.184 5.002 0.002 12 0 "[ . 1 . 2]" 1
1932 1 128 LEU HA 1 130 THR H 3.500 . 5.000 4.460 4.011 5.003 0.003 17 0 "[ . 1 . 2]" 1
1933 1 128 LEU QB 1 130 THR H 4.000 . 5.500 3.224 2.788 4.080 . 0 0 "[ . 1 . 2]" 1
1934 1 128 LEU H 1 172 ASN HA 3.500 . 5.000 4.430 3.360 5.004 0.004 20 0 "[ . 1 . 2]" 1
1935 1 128 LEU H 1 172 ASN HB2 3.500 . 5.000 4.622 3.869 5.003 0.003 17 0 "[ . 1 . 2]" 1
1936 1 128 LEU H 1 172 ASN HB3 3.500 . 5.000 3.354 2.793 3.761 . 0 0 "[ . 1 . 2]" 1
1937 1 128 LEU MD1 1 172 ASN H 4.500 . 6.500 5.125 3.904 6.503 0.003 14 0 "[ . 1 . 2]" 1
1938 1 128 LEU QB 1 172 ASN HB3 4.000 . 5.500 3.680 2.214 5.420 . 0 0 "[ . 1 . 2]" 1
1939 1 128 LEU HG 1 172 ASN HB3 3.500 . 5.000 4.199 1.991 5.003 0.003 4 0 "[ . 1 . 2]" 1
1940 1 128 LEU H 1 173 THR H 4.000 . 6.000 5.089 3.988 5.715 . 0 0 "[ . 1 . 2]" 1
1941 1 128 LEU H 1 173 THR HA 4.000 . 6.000 3.677 2.616 4.457 . 0 0 "[ . 1 . 2]" 1
1942 1 128 LEU QB 1 173 THR HA 4.500 . 6.500 5.230 4.069 6.290 . 0 0 "[ . 1 . 2]" 1
1943 1 128 LEU H 1 174 VAL H 3.500 . 5.000 4.682 3.768 5.002 0.002 5 0 "[ . 1 . 2]" 1
1944 1 128 LEU HG 1 174 VAL H 4.000 . 6.000 5.147 2.893 6.004 0.004 17 0 "[ . 1 . 2]" 1
1945 1 128 LEU H 1 174 VAL MG1 4.500 . 6.500 4.848 3.219 6.095 . 0 0 "[ . 1 . 2]" 1
1946 1 128 LEU QB 1 174 VAL H 4.500 . 6.500 5.728 4.864 6.491 . 0 0 "[ . 1 . 2]" 1
1947 1 128 LEU H 1 174 VAL MG2 4.500 . 6.500 4.302 3.470 4.957 . 0 0 "[ . 1 . 2]" 1
1948 1 129 LEU H 1 129 LEU HA 3.000 . 3.500 2.929 2.881 2.948 . 0 0 "[ . 1 . 2]" 1
1949 1 129 LEU H 1 129 LEU QB 3.500 . 4.000 2.598 2.399 2.772 . 0 0 "[ . 1 . 2]" 1
1950 1 129 LEU H 1 129 LEU HG 3.500 . 5.000 3.968 2.533 4.742 . 0 0 "[ . 1 . 2]" 1
1951 1 129 LEU H 1 129 LEU MD1 4.500 . 6.700 3.530 1.971 4.579 . 0 0 "[ . 1 . 2]" 1
1952 1 129 LEU HA 1 130 THR H 2.500 . 2.700 2.638 2.302 2.709 0.009 4 0 "[ . 1 . 2]" 1
1953 1 129 LEU H 1 130 THR H 3.500 . 5.000 2.952 2.474 3.875 . 0 0 "[ . 1 . 2]" 1
1954 1 129 LEU HA 1 130 THR HB 4.000 . 6.000 5.434 4.963 5.693 . 0 0 "[ . 1 . 2]" 1
1955 1 129 LEU QB 1 130 THR H 3.500 . 5.000 3.889 3.792 3.943 . 0 0 "[ . 1 . 2]" 1
1956 1 129 LEU MD1 1 130 THR H 4.500 . 6.500 4.870 4.186 5.662 . 0 0 "[ . 1 . 2]" 1
1957 1 129 LEU HG 1 130 THR H 4.000 . 6.000 4.866 4.550 5.133 . 0 0 "[ . 1 . 2]" 1
1958 1 130 THR H 1 130 THR HA 3.000 . 3.500 2.926 2.866 2.946 . 0 0 "[ . 1 . 2]" 1
1959 1 130 THR H 1 130 THR HB 3.000 . 3.500 2.933 2.682 3.138 . 0 0 "[ . 1 . 2]" 1
1960 1 130 THR H 1 130 THR MG 3.500 . 5.000 3.939 3.844 4.004 . 0 0 "[ . 1 . 2]" 1
1961 1 130 THR H 1 131 GLY H 3.500 . 5.000 2.145 1.880 2.531 . 0 0 "[ . 1 . 2]" 1
1962 1 130 THR HA 1 131 GLY H 3.000 . 3.500 3.471 2.911 3.551 0.051 1 0 "[ . 1 . 2]" 1
1963 1 130 THR HB 1 131 GLY H 3.500 . 5.000 2.609 1.966 4.111 . 0 0 "[ . 1 . 2]" 1
1964 1 130 THR HB 1 132 ALA H 3.500 . 5.000 4.069 2.649 4.977 . 0 0 "[ . 1 . 2]" 1
1965 1 130 THR H 1 133 ASN HD21 4.000 . 6.000 5.844 5.254 6.017 0.017 4 0 "[ . 1 . 2]" 1
1966 1 130 THR HB 1 133 ASN HD21 4.000 . 6.000 3.535 2.847 4.882 . 0 0 "[ . 1 . 2]" 1
1967 1 131 GLY H 1 131 GLY HA3 3.000 . 3.500 2.832 2.566 2.956 . 0 0 "[ . 1 . 2]" 1
1968 1 131 GLY H 1 131 GLY HA2 3.000 . 3.500 2.669 2.321 2.947 . 0 0 "[ . 1 . 2]" 1
1969 1 131 GLY H 1 132 ALA H 3.500 . 5.000 2.700 1.889 4.035 . 0 0 "[ . 1 . 2]" 1
1970 1 131 GLY H 1 132 ALA HA 3.500 . 5.000 4.350 3.931 5.006 0.006 20 0 "[ . 1 . 2]" 1
1971 1 131 GLY HA2 1 132 ALA H 3.500 . 5.000 3.170 2.205 3.568 . 0 0 "[ . 1 . 2]" 1
1972 1 131 GLY HA3 1 132 ALA H 3.500 . 5.000 2.937 2.152 3.557 . 0 0 "[ . 1 . 2]" 1
1973 1 131 GLY H 1 132 ALA MB 4.500 . 6.500 4.565 3.629 5.104 . 0 0 "[ . 1 . 2]" 1
1974 1 131 GLY H 1 133 ASN H 3.500 . 5.000 3.810 2.837 4.638 . 0 0 "[ . 1 . 2]" 1
1975 1 131 GLY HA2 1 133 ASN H 4.000 . 6.000 4.996 4.325 5.648 . 0 0 "[ . 1 . 2]" 1
1976 1 131 GLY HA3 1 133 ASN H 4.000 . 6.000 4.464 3.706 6.000 . 0 0 "[ . 1 . 2]" 1
1977 1 131 GLY H 1 139 LEU MD1 4.500 . 6.500 5.316 4.798 6.504 0.004 4 0 "[ . 1 . 2]" 1
1978 1 132 ALA H 1 132 ALA HA 3.000 . 3.500 2.577 2.275 2.918 . 0 0 "[ . 1 . 2]" 1
1979 1 132 ALA H 1 133 ASN H 3.500 . 3.500 2.454 1.973 3.277 . 0 0 "[ . 1 . 2]" 1
1980 1 132 ALA HA 1 133 ASN H 3.000 . 3.500 2.753 2.299 2.917 . 0 0 "[ . 1 . 2]" 1
1981 1 132 ALA H 1 133 ASN HA 4.000 . 6.000 4.649 3.945 5.482 . 0 0 "[ . 1 . 2]" 1
1982 1 132 ALA H 1 133 ASN HB2 4.000 . 6.000 4.123 3.212 4.604 . 0 0 "[ . 1 . 2]" 1
1983 1 132 ALA H 1 133 ASN HB3 4.000 . 6.000 5.515 4.687 6.003 0.003 4 0 "[ . 1 . 2]" 1
1984 1 132 ALA HA 1 133 ASN HB2 3.500 . 5.000 4.912 4.661 5.021 0.021 7 0 "[ . 1 . 2]" 1
1985 1 132 ALA H 1 139 LEU MD1 4.000 . 5.500 5.434 4.411 5.513 0.013 7 0 "[ . 1 . 2]" 1
1986 1 133 ASN H 1 133 ASN HB2 3.000 . 3.500 2.332 2.109 3.051 . 0 0 "[ . 1 . 2]" 1
1987 1 133 ASN H 1 133 ASN HB3 3.000 . 3.500 3.457 3.051 3.561 0.061 7 0 "[ . 1 . 2]" 1
1988 1 133 ASN HA 1 134 ALA H 3.000 . 3.500 2.328 2.140 3.478 . 0 0 "[ . 1 . 2]" 1
1989 1 133 ASN HB2 1 134 ALA H 3.500 . 5.000 4.382 3.106 4.658 . 0 0 "[ . 1 . 2]" 1
1990 1 133 ASN HB3 1 134 ALA H 3.500 . 5.000 3.717 2.098 4.376 . 0 0 "[ . 1 . 2]" 1
1991 1 133 ASN HB2 1 134 ALA HA 4.000 . 6.000 5.309 4.407 5.845 . 0 0 "[ . 1 . 2]" 1
1992 1 133 ASN HB3 1 134 ALA HA 3.500 . 5.000 4.297 4.031 4.655 . 0 0 "[ . 1 . 2]" 1
1993 1 134 ALA H 1 134 ALA HA 3.000 . 3.500 2.852 2.788 2.934 . 0 0 "[ . 1 . 2]" 1
1994 1 134 ALA H 1 134 ALA MB 3.000 . 3.500 2.761 2.176 2.923 . 0 0 "[ . 1 . 2]" 1
1995 1 134 ALA H 1 135 LYS HB2 4.000 . 6.000 5.289 4.396 6.002 0.002 1 0 "[ . 1 . 2]" 1
1996 1 134 ALA HA 1 135 LYS H 2.500 . 2.700 2.203 2.140 2.412 . 0 0 "[ . 1 . 2]" 1
1997 1 134 ALA MB 1 135 LYS H 3.500 . 4.500 2.969 2.348 3.287 . 0 0 "[ . 1 . 2]" 1
1998 1 134 ALA HA 1 138 ASP H 4.000 . 6.000 4.500 4.148 4.977 . 0 0 "[ . 1 . 2]" 1
1999 1 134 ALA MB 1 138 ASP H 4.500 . 6.500 4.148 3.173 5.589 . 0 0 "[ . 1 . 2]" 1
2000 1 134 ALA H 1 140 GLY HA2 4.000 . 6.000 4.044 2.444 6.000 . 18 0 "[ . 1 . 2]" 1
2001 1 134 ALA HA 1 140 GLY HA2 4.000 . 6.000 3.248 1.995 5.632 . 0 0 "[ . 1 . 2]" 1
2002 1 134 ALA MB 1 140 GLY H 4.500 . 6.500 4.249 2.992 6.058 . 0 0 "[ . 1 . 2]" 1
2003 1 135 LYS H 1 135 LYS HA 3.000 . 3.500 2.932 2.915 2.948 . 0 0 "[ . 1 . 2]" 1
2004 1 135 LYS H 1 135 LYS HB2 3.000 . 3.500 2.673 2.244 3.095 . 0 0 "[ . 1 . 2]" 1
2005 1 135 LYS H 1 135 LYS HB3 3.000 . 3.500 2.735 2.440 3.500 0.000 15 0 "[ . 1 . 2]" 1
2006 1 135 LYS H 1 135 LYS HG2 3.500 . 5.000 4.593 3.865 4.834 . 0 0 "[ . 1 . 2]" 1
2007 1 135 LYS H 1 135 LYS HG3 3.500 . 5.000 4.467 3.422 4.765 . 0 0 "[ . 1 . 2]" 1
2008 1 135 LYS H 1 135 LYS QE 4.500 . 6.500 5.523 4.515 6.039 . 0 0 "[ . 1 . 2]" 1
2009 1 135 LYS H 1 136 GLY H 3.500 . 5.000 2.101 1.945 2.215 . 0 0 "[ . 1 . 2]" 1
2010 1 135 LYS HA 1 136 GLY H 3.000 . 3.500 3.474 3.318 3.514 0.014 18 0 "[ . 1 . 2]" 1
2011 1 135 LYS HB2 1 136 GLY H 3.500 . 5.000 3.866 3.072 4.355 . 0 0 "[ . 1 . 2]" 1
2012 1 135 LYS HB3 1 136 GLY H 3.500 . 5.000 2.975 2.678 3.559 . 0 0 "[ . 1 . 2]" 1
2013 1 135 LYS HG2 1 136 GLY H 3.500 . 5.000 4.671 4.027 5.002 0.002 18 0 "[ . 1 . 2]" 1
2014 1 135 LYS HG3 1 136 GLY H 3.500 . 5.000 4.746 4.327 5.013 0.013 17 0 "[ . 1 . 2]" 1
2015 1 135 LYS H 1 137 MET HA 4.000 . 6.000 5.977 5.832 6.014 0.014 7 0 "[ . 1 . 2]" 1
2016 1 135 LYS H 1 137 MET H 3.500 . 5.000 3.693 3.476 3.899 . 0 0 "[ . 1 . 2]" 1
2017 1 135 LYS HA 1 137 MET H 3.500 . 5.000 4.957 4.404 5.019 0.019 17 0 "[ . 1 . 2]" 1
2018 1 135 LYS QD 1 137 MET H 4.500 . 6.500 5.140 2.629 5.882 . 0 0 "[ . 1 . 2]" 1
2019 1 135 LYS HG2 1 137 MET H 4.000 . 6.000 4.642 3.020 6.005 0.005 15 0 "[ . 1 . 2]" 1
2020 1 135 LYS HG3 1 137 MET H 4.000 . 6.000 5.210 4.101 5.808 . 0 0 "[ . 1 . 2]" 1
2021 1 135 LYS H 1 138 ASP H 3.000 . 3.500 3.397 3.201 3.501 0.001 1 0 "[ . 1 . 2]" 1
2022 1 135 LYS H 1 138 ASP HB3 3.500 . 5.000 4.923 4.343 5.014 0.014 4 0 "[ . 1 . 2]" 1
2023 1 135 LYS H 1 139 LEU H 4.000 . 6.000 5.302 4.977 5.576 . 0 0 "[ . 1 . 2]" 1
2024 1 136 GLY H 1 136 GLY HA2 3.000 . 3.500 2.615 2.363 2.674 . 0 0 "[ . 1 . 2]" 1
2025 1 136 GLY H 1 136 GLY HA3 3.000 . 3.500 2.925 2.905 2.956 . 0 0 "[ . 1 . 2]" 1
2026 1 136 GLY H 1 137 MET H 3.000 . 3.500 2.236 2.009 3.052 . 0 0 "[ . 1 . 2]" 1
2027 1 136 GLY H 1 137 MET HA 3.500 . 5.000 4.403 4.284 4.985 . 0 0 "[ . 1 . 2]" 1
2028 1 136 GLY HA2 1 137 MET H 3.000 . 3.500 3.491 3.471 3.524 0.024 7 0 "[ . 1 . 2]" 1
2029 1 136 GLY HA3 1 137 MET H 3.000 . 3.500 2.963 2.838 3.013 . 0 0 "[ . 1 . 2]" 1
2030 1 136 GLY HA3 1 137 MET HA 3.500 . 5.000 4.555 4.470 4.578 . 0 0 "[ . 1 . 2]" 1
2031 1 136 GLY H 1 137 MET HB2 4.000 . 6.000 5.002 4.783 5.748 . 0 0 "[ . 1 . 2]" 1
2032 1 136 GLY H 1 137 MET HG2 4.000 . 6.000 5.211 5.056 5.873 . 0 0 "[ . 1 . 2]" 1
2033 1 136 GLY H 1 137 MET HG3 4.000 . 6.000 5.048 4.877 5.617 . 0 0 "[ . 1 . 2]" 1
2034 1 137 MET H 1 137 MET HA 3.000 . 3.500 2.928 2.922 2.947 . 0 0 "[ . 1 . 2]" 1
2035 1 137 MET H 1 137 MET HB2 2.500 . 2.700 2.771 2.705 2.789 0.089 16 0 "[ . 1 . 2]" 1
2036 1 137 MET H 1 137 MET HB3 3.500 . 5.000 3.843 3.797 3.855 . 0 0 "[ . 1 . 2]" 1
2037 1 137 MET H 1 137 MET HG2 3.000 . 3.500 3.520 3.503 3.525 0.025 2 0 "[ . 1 . 2]" 1
2038 1 137 MET H 1 137 MET HG3 3.000 . 3.500 3.143 2.934 3.237 . 0 0 "[ . 1 . 2]" 1
2039 1 137 MET H 1 138 ASP HB2 3.500 . 5.000 5.068 4.880 5.102 0.102 5 0 "[ . 1 . 2]" 1
2040 1 137 MET HA 1 138 ASP H 3.000 . 3.500 2.917 2.882 2.979 . 0 0 "[ . 1 . 2]" 1
2041 1 137 MET HB2 1 138 ASP H 3.500 . 5.000 4.023 3.971 4.048 . 0 0 "[ . 1 . 2]" 1
2042 1 137 MET HB3 1 138 ASP H 3.500 . 5.000 4.481 4.469 4.493 . 0 0 "[ . 1 . 2]" 1
2043 1 137 MET HB2 1 138 ASP HB2 4.000 . 6.000 5.569 4.401 5.796 . 0 0 "[ . 1 . 2]" 1
2044 1 137 MET HB3 1 138 ASP HB3 3.500 . 5.000 4.945 4.859 5.012 0.012 7 0 "[ . 1 . 2]" 1
2045 1 137 MET HA 1 138 ASP HB3 3.500 . 5.000 5.026 4.989 5.041 0.041 18 0 "[ . 1 . 2]" 1
2046 1 137 MET HG3 1 138 ASP H 3.500 . 5.000 5.025 5.004 5.031 0.031 11 0 "[ . 1 . 2]" 1
2047 1 138 ASP H 1 138 ASP HA 3.000 . 3.500 2.856 2.753 2.883 . 0 0 "[ . 1 . 2]" 1
2048 1 138 ASP H 1 138 ASP HB2 3.500 . 5.000 3.884 3.744 3.916 . 0 0 "[ . 1 . 2]" 1
2049 1 138 ASP H 1 138 ASP HB3 3.000 . 3.500 3.441 3.115 3.513 0.013 5 0 "[ . 1 . 2]" 1
2050 1 138 ASP H 1 139 LEU H 3.500 . 5.000 4.353 4.309 4.375 . 0 0 "[ . 1 . 2]" 1
2051 1 138 ASP H 1 139 LEU MD2 4.000 . 5.500 5.151 4.147 5.526 0.026 7 0 "[ . 1 . 2]" 1
2052 1 138 ASP HA 1 139 LEU H 2.500 . 2.700 2.532 2.392 2.696 . 0 0 "[ . 1 . 2]" 1
2053 1 138 ASP HB2 1 139 LEU H 3.000 . 3.500 2.394 1.940 3.573 0.073 1 0 "[ . 1 . 2]" 1
2054 1 138 ASP HB3 1 139 LEU H 3.000 . 3.500 3.605 3.464 3.787 0.287 7 0 "[ . 1 . 2]" 1
2055 1 138 ASP HB2 1 139 LEU QB 4.000 . 5.500 4.407 3.919 5.523 0.023 7 0 "[ . 1 . 2]" 1
2056 1 138 ASP HB3 1 139 LEU QB 4.000 . 5.500 5.449 5.309 5.670 0.170 14 0 "[ . 1 . 2]" 1
2057 1 138 ASP H 1 140 GLY H 4.000 . 6.000 4.618 3.821 6.002 0.002 11 0 "[ . 1 . 2]" 1
2058 1 138 ASP HA 1 140 GLY H 4.000 . 6.000 4.382 4.110 4.864 . 0 0 "[ . 1 . 2]" 1
2059 1 138 ASP HB2 1 140 GLY H 4.000 . 6.000 3.262 2.625 4.530 . 0 0 "[ . 1 . 2]" 1
2060 1 138 ASP HB3 1 140 GLY H 4.000 . 6.000 4.374 3.285 5.025 . 0 0 "[ . 1 . 2]" 1
2061 1 139 LEU H 1 139 LEU HA 3.000 . 3.500 2.907 2.746 2.939 . 0 0 "[ . 1 . 2]" 1
2062 1 139 LEU H 1 139 LEU QB 3.500 . 4.500 2.348 2.032 2.652 . 0 0 "[ . 1 . 2]" 1
2063 1 139 LEU H 1 139 LEU HG 3.500 . 5.000 4.668 3.403 5.017 0.017 8 0 "[ . 1 . 2]" 1
2064 1 139 LEU H 1 139 LEU MD1 3.500 . 5.000 4.271 4.109 4.381 . 0 0 "[ . 1 . 2]" 1
2065 1 139 LEU H 1 139 LEU MD2 3.500 . 5.000 3.689 1.966 3.995 . 0 0 "[ . 1 . 2]" 1
2066 1 139 LEU H 1 140 GLY HA2 3.500 . 5.000 5.028 4.915 5.064 0.064 7 0 "[ . 1 . 2]" 1
2067 1 139 LEU H 1 140 GLY HA3 4.000 . 6.000 4.931 4.217 5.364 . 0 0 "[ . 1 . 2]" 1
2068 1 139 LEU H 1 140 GLY H 3.500 . 5.000 2.788 2.479 2.972 . 0 0 "[ . 1 . 2]" 1
2069 1 139 LEU HA 1 140 GLY H 3.000 . 3.500 2.987 2.546 3.553 0.053 11 0 "[ . 1 . 2]" 1
2070 1 139 LEU QB 1 140 GLY H 4.000 . 5.500 3.562 2.264 3.956 . 0 0 "[ . 1 . 2]" 1
2071 1 139 LEU MD1 1 140 GLY H 4.500 . 6.500 3.968 3.210 4.381 . 0 0 "[ . 1 . 2]" 1
2072 1 139 LEU MD2 1 140 GLY H 4.500 . 6.500 4.389 2.666 4.735 . 0 0 "[ . 1 . 2]" 1
2073 1 139 LEU HG 1 140 GLY H 4.000 . 6.000 5.575 2.367 5.990 . 0 0 "[ . 1 . 2]" 1
2074 1 139 LEU H 1 164 HIS HB3 3.500 . 5.000 4.608 3.415 5.027 0.027 19 0 "[ . 1 . 2]" 1
2075 1 139 LEU H 1 164 HIS HB2 3.500 . 5.000 5.028 5.006 5.052 0.052 5 0 "[ . 1 . 2]" 1
2076 1 140 GLY H 1 140 GLY HA2 3.000 . 3.500 2.514 2.316 2.925 . 0 0 "[ . 1 . 2]" 1
2077 1 140 GLY H 1 140 GLY HA3 3.000 . 3.500 2.885 2.632 2.950 . 0 0 "[ . 1 . 2]" 1
2078 1 140 GLY H 1 141 THR H 3.500 . 5.000 2.402 1.982 3.524 . 0 0 "[ . 1 . 2]" 1
2079 1 140 GLY HA2 1 141 THR H 3.000 . 3.500 3.035 2.228 3.538 0.038 18 0 "[ . 1 . 2]" 1
2080 1 140 GLY HA3 1 141 THR H 3.000 . 3.500 3.302 2.719 3.520 0.020 2 0 "[ . 1 . 2]" 1
2081 1 141 THR H 1 141 THR HA 3.000 . 3.500 2.869 2.847 2.935 . 0 0 "[ . 1 . 2]" 1
2082 1 141 THR H 1 141 THR HB 3.000 . 3.500 3.500 2.879 3.584 0.084 19 0 "[ . 1 . 2]" 1
2083 1 141 THR H 1 142 ILE H 3.500 . 5.000 4.520 4.399 4.601 . 0 0 "[ . 1 . 2]" 1
2084 1 141 THR HA 1 142 ILE H 3.000 . 3.500 2.337 2.163 2.661 . 0 0 "[ . 1 . 2]" 1
2085 1 141 THR HB 1 142 ILE H 3.500 . 5.000 3.015 2.166 4.054 . 0 0 "[ . 1 . 2]" 1
2086 1 141 THR MG 1 142 ILE H 4.500 . 6.500 3.932 3.504 4.266 . 0 0 "[ . 1 . 2]" 1
2087 1 141 THR MG 1 174 VAL MG1 4.000 . 5.500 5.466 4.780 5.519 0.019 13 0 "[ . 1 . 2]" 1
2088 1 142 ILE H 1 142 ILE HA 3.000 . 3.500 2.890 2.266 2.946 . 0 0 "[ . 1 . 2]" 1
2089 1 142 ILE H 1 142 ILE HB 3.000 . 3.500 3.057 2.751 3.545 0.045 4 0 "[ . 1 . 2]" 1
2090 1 142 ILE H 1 144 GLY H 3.500 . 5.000 4.142 2.686 5.068 0.068 4 0 "[ . 1 . 2]" 1
2091 1 142 ILE HA 1 144 GLY H 3.500 . 5.000 3.890 3.588 5.035 0.035 17 0 "[ . 1 . 2]" 1
2092 1 142 ILE HB 1 144 GLY H 4.000 . 6.000 4.764 4.578 5.135 . 0 0 "[ . 1 . 2]" 1
2093 1 142 ILE H 1 145 ASP H 3.500 . 5.000 3.845 2.535 5.042 0.042 4 0 "[ . 1 . 2]" 1
2094 1 142 ILE HA 1 145 ASP H 3.500 . 5.000 4.912 4.617 5.054 0.054 14 0 "[ . 1 . 2]" 1
2095 1 142 ILE HB 1 145 ASP H 4.000 . 6.000 5.729 3.174 6.033 0.033 18 0 "[ . 1 . 2]" 1
2096 1 143 PRO HA 1 143 PRO HB3 3.000 . 3.500 2.276 2.256 2.339 . 0 0 "[ . 1 . 2]" 1
2097 1 143 PRO HA 1 143 PRO HG2 3.500 . 5.000 4.009 3.796 4.098 . 0 0 "[ . 1 . 2]" 1
2098 1 143 PRO HA 1 143 PRO HD2 3.500 . 5.000 3.882 3.858 3.913 . 0 0 "[ . 1 . 2]" 1
2099 1 143 PRO HA 1 143 PRO HD3 3.500 . 5.000 3.885 3.349 4.017 . 0 0 "[ . 1 . 2]" 1
2100 1 143 PRO HA 1 144 GLY H 3.500 . 5.000 2.823 2.290 3.196 . 0 0 "[ . 1 . 2]" 1
2101 1 143 PRO HB2 1 144 GLY H 3.500 . 5.000 4.200 3.982 4.379 . 0 0 "[ . 1 . 2]" 1
2102 1 143 PRO HD2 1 144 GLY H 4.000 . 6.000 3.880 2.784 5.227 . 0 0 "[ . 1 . 2]" 1
2103 1 143 PRO HD3 1 144 GLY H 4.000 . 6.000 4.424 3.762 5.107 . 0 0 "[ . 1 . 2]" 1
2104 1 143 PRO HG2 1 144 GLY H 4.000 . 6.000 5.308 4.602 5.806 . 0 0 "[ . 1 . 2]" 1
2105 1 143 PRO HG3 1 144 GLY H 3.500 . 5.000 5.045 4.848 5.098 0.098 12 0 "[ . 1 . 2]" 1
2106 1 143 PRO HA 1 144 GLY QA 4.000 . 5.500 4.049 3.888 4.124 . 0 0 "[ . 1 . 2]" 1
2107 1 143 PRO HA 1 145 ASP H 3.500 . 5.000 4.835 3.972 5.033 0.033 2 0 "[ . 1 . 2]" 1
2108 1 143 PRO HB2 1 145 ASP H 4.000 . 6.000 4.602 3.970 5.762 . 0 0 "[ . 1 . 2]" 1
2109 1 143 PRO HB3 1 145 ASP H 4.000 . 6.000 5.779 5.339 6.020 0.020 4 0 "[ . 1 . 2]" 1
2110 1 143 PRO HD2 1 145 ASP H 4.000 . 6.000 3.638 2.748 5.951 . 0 0 "[ . 1 . 2]" 1
2111 1 143 PRO HD3 1 145 ASP H 4.000 . 6.000 4.903 4.187 5.886 . 0 0 "[ . 1 . 2]" 1
2112 1 144 GLY H 1 145 ASP H 3.000 . 3.500 2.698 1.949 3.065 . 0 0 "[ . 1 . 2]" 1
2113 1 144 GLY QA 1 145 ASP H 4.000 . 5.500 2.682 2.596 2.875 . 0 0 "[ . 1 . 2]" 1
2114 1 144 GLY H 1 145 ASP HA 4.000 . 6.000 5.150 4.704 5.405 . 0 0 "[ . 1 . 2]" 1
2115 1 144 GLY H 1 146 CYS H 4.000 . 6.000 5.419 4.995 5.796 . 0 0 "[ . 1 . 2]" 1
2116 1 144 GLY QA 1 146 CYS H 4.000 . 5.500 3.644 3.484 4.499 . 0 0 "[ . 1 . 2]" 1
2117 1 145 ASP H 1 145 ASP HA 3.000 . 3.500 2.892 2.855 2.943 . 0 0 "[ . 1 . 2]" 1
2118 1 145 ASP H 1 145 ASP HB2 3.000 . 3.500 2.266 2.113 2.688 . 0 0 "[ . 1 . 2]" 1
2119 1 145 ASP H 1 145 ASP HB3 3.000 . 3.500 3.093 2.477 3.512 0.012 17 0 "[ . 1 . 2]" 1
2120 1 145 ASP H 1 146 CYS HA 3.500 . 5.000 4.997 4.837 5.049 0.049 18 0 "[ . 1 . 2]" 1
2121 1 145 ASP H 1 146 CYS H 3.000 . 3.500 3.459 2.917 3.538 0.038 17 0 "[ . 1 . 2]" 1
2122 1 145 ASP HA 1 146 CYS H 3.000 . 3.500 2.645 2.337 3.541 0.041 11 0 "[ . 1 . 2]" 1
2123 1 145 ASP HB3 1 146 CYS H 3.500 . 4.500 4.074 1.917 4.394 . 0 0 "[ . 1 . 2]" 1
2124 1 145 ASP H 1 146 CYS QB 4.500 . 6.500 5.004 4.324 5.569 . 0 0 "[ . 1 . 2]" 1
2125 1 145 ASP HA 1 148 ALA H 4.000 . 6.000 4.907 4.131 6.038 0.038 11 0 "[ . 1 . 2]" 1
2126 1 146 CYS H 1 146 CYS HA 3.000 . 3.500 2.849 2.268 2.939 . 0 0 "[ . 1 . 2]" 1
2127 1 146 CYS H 1 146 CYS QB 3.500 . 4.500 2.480 2.180 3.429 . 0 0 "[ . 1 . 2]" 1
2128 1 146 CYS H 1 147 GLY H 3.500 . 5.000 4.328 4.006 4.611 . 0 0 "[ . 1 . 2]" 1
2129 1 146 CYS QB 1 148 ALA H 4.500 . 6.500 4.636 4.140 5.108 . 0 0 "[ . 1 . 2]" 1
2130 1 146 CYS H 1 148 ALA H 3.500 . 4.500 4.500 3.876 4.587 0.087 14 0 "[ . 1 . 2]" 1
2131 1 146 CYS HA 1 148 ALA H 4.000 . 6.000 3.382 3.014 3.863 . 0 0 "[ . 1 . 2]" 1
2132 1 146 CYS QB 1 165 ALA HA 4.000 . 5.500 5.032 4.482 5.502 0.002 1 0 "[ . 1 . 2]" 1
2133 1 147 GLY HA3 1 148 ALA H 3.000 . 3.500 3.337 3.052 3.433 . 0 0 "[ . 1 . 2]" 1
2134 1 147 GLY HA2 1 148 ALA H 3.000 . 3.500 3.222 3.064 3.472 . 0 0 "[ . 1 . 2]" 1
2135 1 147 GLY H 1 148 ALA H 3.000 . 3.500 2.408 1.893 2.926 . 0 0 "[ . 1 . 2]" 1
2136 1 147 GLY H 1 148 ALA MB 4.500 . 6.500 4.016 3.535 4.509 . 0 0 "[ . 1 . 2]" 1
2137 1 147 GLY H 1 163 VAL HB 4.000 . 6.000 4.285 3.943 4.604 . 0 0 "[ . 1 . 2]" 1
2138 1 147 GLY HA3 1 163 VAL HB 3.500 . 5.000 3.023 2.651 4.107 . 0 0 "[ . 1 . 2]" 1
2139 1 147 GLY H 1 164 HIS H 3.000 . 3.500 3.356 2.988 3.512 0.012 13 0 "[ . 1 . 2]" 1
2140 1 147 GLY H 1 164 HIS HA 4.000 . 6.000 4.404 3.961 4.661 . 0 0 "[ . 1 . 2]" 1
2141 1 147 GLY H 1 165 ALA HA 3.500 . 5.000 4.643 4.149 5.008 0.008 3 0 "[ . 1 . 2]" 1
2142 1 147 GLY H 1 165 ALA H 4.000 . 6.000 5.048 4.743 5.411 . 0 0 "[ . 1 . 2]" 1
2143 1 148 ALA H 1 148 ALA HA 3.000 . 3.500 2.729 2.693 2.760 . 0 0 "[ . 1 . 2]" 1
2144 1 148 ALA HA 1 149 PRO HD3 3.000 . 3.500 2.126 1.819 2.302 . 0 0 "[ . 1 . 2]" 1
2145 1 148 ALA HA 1 149 PRO HD2 3.000 . 3.500 2.531 2.222 2.928 . 0 0 "[ . 1 . 2]" 1
2146 1 148 ALA MB 1 149 PRO HD2 3.500 . 4.000 2.504 1.928 3.166 . 0 0 "[ . 1 . 2]" 1
2147 1 148 ALA MB 1 149 PRO HD3 3.500 . 4.000 3.325 2.686 3.814 . 0 0 "[ . 1 . 2]" 1
2148 1 148 ALA HA 1 149 PRO HA 3.500 . 5.000 4.436 4.410 4.503 . 0 0 "[ . 1 . 2]" 1
2149 1 148 ALA H 1 164 HIS HB2 3.000 . 3.500 2.745 2.033 3.220 . 0 0 "[ . 1 . 2]" 1
2150 1 148 ALA H 1 164 HIS HB3 3.000 . 3.500 3.019 2.542 3.536 0.036 10 0 "[ . 1 . 2]" 1
2151 1 148 ALA H 1 164 HIS HA 3.500 . 5.000 5.040 4.949 5.078 0.078 17 0 "[ . 1 . 2]" 1
2152 1 148 ALA H 1 164 HIS HD2 4.000 . 6.000 5.398 4.932 6.001 0.001 7 0 "[ . 1 . 2]" 1
2153 1 148 ALA MB 1 164 HIS H 3.500 . 5.000 3.602 3.427 3.859 . 0 0 "[ . 1 . 2]" 1
2154 1 148 ALA HA 1 164 HIS H 4.000 . 6.000 4.352 4.212 4.518 . 0 0 "[ . 1 . 2]" 1
2155 1 148 ALA H 1 164 HIS H 3.000 . 3.500 3.060 2.909 3.409 . 0 0 "[ . 1 . 2]" 1
2156 1 148 ALA MB 1 164 HIS HB2 3.500 . 5.000 2.876 2.709 3.093 . 0 0 "[ . 1 . 2]" 1
2157 1 149 PRO HA 1 150 TYR H 2.500 . 2.700 2.173 2.143 2.278 . 0 0 "[ . 1 . 2]" 1
2158 1 149 PRO HA 1 162 GLY H 4.000 . 6.000 4.744 4.381 5.385 . 0 0 "[ . 1 . 2]" 1
2159 1 149 PRO HA 1 163 VAL HA 3.000 . 3.500 2.752 1.887 3.504 0.004 3 0 "[ . 1 . 2]" 1
2160 1 149 PRO HA 1 163 VAL HB 3.500 . 5.000 4.545 3.522 5.013 0.013 13 0 "[ . 1 . 2]" 1
2161 1 149 PRO HA 1 164 HIS H 3.500 . 5.000 4.481 3.612 5.022 0.022 3 0 "[ . 1 . 2]" 1
2162 1 150 TYR H 1 150 TYR HA 3.000 . 3.500 2.923 2.874 2.948 . 0 0 "[ . 1 . 2]" 1
2163 1 150 TYR H 1 150 TYR HB2 3.000 . 3.500 2.331 2.210 2.440 . 0 0 "[ . 1 . 2]" 1
2164 1 150 TYR H 1 150 TYR HB3 3.500 . 5.000 3.550 3.455 3.645 . 0 0 "[ . 1 . 2]" 1
2165 1 150 TYR H 1 150 TYR QD 3.000 . 3.500 2.729 2.075 3.446 . 0 0 "[ . 1 . 2]" 1
2166 1 150 TYR HB3 1 151 VAL HA 4.000 . 6.000 4.264 4.142 4.595 . 0 0 "[ . 1 . 2]" 1
2167 1 150 TYR HB2 1 151 VAL HA 4.000 . 6.000 5.015 4.692 5.244 . 0 0 "[ . 1 . 2]" 1
2168 1 150 TYR HA 1 151 VAL H 2.500 . 2.700 2.231 2.154 2.381 . 0 0 "[ . 1 . 2]" 1
2169 1 150 TYR HB2 1 151 VAL H 3.500 . 5.000 4.201 3.759 4.439 . 0 0 "[ . 1 . 2]" 1
2170 1 150 TYR HB3 1 151 VAL H 3.000 . 3.500 3.084 2.495 3.505 0.005 11 0 "[ . 1 . 2]" 1
2171 1 150 TYR H 1 160 VAL MG2 4.000 . 5.500 3.679 2.626 5.500 0.000 9 0 "[ . 1 . 2]" 1
2172 1 150 TYR H 1 160 VAL HA 4.000 . 6.000 4.965 4.741 5.285 . 0 0 "[ . 1 . 2]" 1
2173 1 150 TYR H 1 161 CYS H 3.500 . 5.000 4.099 3.702 4.678 . 0 0 "[ . 1 . 2]" 1
2174 1 150 TYR H 1 162 GLY H 3.000 . 3.500 3.105 2.844 3.519 0.019 13 0 "[ . 1 . 2]" 1
2175 1 150 TYR HB2 1 161 CYS H 3.500 . 5.000 3.263 2.590 3.999 . 0 0 "[ . 1 . 2]" 1
2176 1 150 TYR HB2 1 162 GLY H 3.000 . 3.500 2.279 1.954 2.972 . 0 0 "[ . 1 . 2]" 1
2177 1 150 TYR HB3 1 162 GLY H 3.500 . 5.000 3.551 2.658 4.045 . 0 0 "[ . 1 . 2]" 1
2178 1 150 TYR QD 1 162 GLY H 4.000 . 6.000 3.954 2.694 4.928 . 0 0 "[ . 1 . 2]" 1
2179 1 150 TYR QD 1 162 GLY QA 4.500 . 6.500 4.783 3.536 5.596 . 0 0 "[ . 1 . 2]" 1
2180 1 150 TYR H 1 163 VAL HA 3.000 . 3.500 3.422 2.707 3.517 0.017 8 0 "[ . 1 . 2]" 1
2181 1 150 TYR H 1 163 VAL MG1 4.000 . 5.500 3.937 3.473 4.291 . 0 0 "[ . 1 . 2]" 1
2182 1 150 TYR HB2 1 163 VAL HA 3.500 . 5.000 4.401 3.443 5.001 0.001 4 0 "[ . 1 . 2]" 1
2183 1 150 TYR QD 1 164 HIS H 3.500 . 5.000 3.915 3.396 4.575 . 0 0 "[ . 1 . 2]" 1
2184 1 151 VAL H 1 151 VAL HA 3.000 . 3.500 2.934 2.904 2.950 . 0 0 "[ . 1 . 2]" 1
2185 1 151 VAL H 1 151 VAL HB 3.500 . 5.000 3.834 3.719 3.930 . 0 0 "[ . 1 . 2]" 1
2186 1 151 VAL H 1 151 VAL MG1 4.000 . 5.500 3.101 2.921 3.275 . 0 0 "[ . 1 . 2]" 1
2187 1 151 VAL H 1 151 VAL MG2 4.000 . 5.500 2.275 2.030 2.479 . 0 0 "[ . 1 . 2]" 1
2188 1 151 VAL HA 1 152 HIS H 2.500 . 2.700 2.354 2.246 2.582 . 0 0 "[ . 1 . 2]" 1
2189 1 151 VAL HB 1 152 HIS H 2.500 . 2.700 2.514 1.986 2.723 0.023 11 0 "[ . 1 . 2]" 1
2190 1 151 VAL MG2 1 152 HIS H 4.000 . 5.500 3.606 3.228 3.761 . 0 0 "[ . 1 . 2]" 1
2191 1 151 VAL MG1 1 152 HIS H 4.000 . 5.500 3.625 3.313 3.734 . 0 0 "[ . 1 . 2]" 1
2192 1 151 VAL H 1 152 HIS H 3.500 . 5.000 4.425 4.350 4.486 . 0 0 "[ . 1 . 2]" 1
2193 1 151 VAL HB 1 158 TRP HB3 3.500 . 5.000 3.569 2.848 4.990 . 0 0 "[ . 1 . 2]" 1
2194 1 151 VAL HA 1 159 VAL HA 4.000 . 6.000 5.311 5.074 5.602 . 0 0 "[ . 1 . 2]" 1
2195 1 151 VAL HA 1 159 VAL H 3.500 . 5.000 4.808 4.235 5.010 0.010 12 0 "[ . 1 . 2]" 1
2196 1 151 VAL HA 1 160 VAL HA 2.500 . 2.700 2.124 1.962 2.443 . 0 0 "[ . 1 . 2]" 1
2197 1 151 VAL HA 1 160 VAL MG2 4.000 . 5.500 3.830 3.161 4.785 . 0 0 "[ . 1 . 2]" 1
2198 1 151 VAL MG1 1 160 VAL HA 4.000 . 5.500 2.967 2.016 3.423 . 0 0 "[ . 1 . 2]" 1
2199 1 151 VAL HA 1 160 VAL HB 3.500 . 5.000 3.887 3.499 4.204 . 0 0 "[ . 1 . 2]" 1
2200 1 151 VAL HB 1 160 VAL HB 4.000 . 6.000 5.146 3.915 5.924 . 0 0 "[ . 1 . 2]" 1
2201 1 151 VAL HA 1 161 CYS H 3.000 . 3.500 3.323 2.740 3.511 0.011 14 0 "[ . 1 . 2]" 1
2202 1 151 VAL H 1 161 CYS H 4.000 . 6.000 4.602 4.265 5.095 . 0 0 "[ . 1 . 2]" 1
2203 1 151 VAL H 1 152 HIS HA 3.500 . 5.000 4.992 4.743 5.036 0.036 6 0 "[ . 1 . 2]" 1
2204 1 151 VAL HA 1 160 VAL MG1 4.000 . 5.500 4.011 2.254 5.059 . 0 0 "[ . 1 . 2]" 1
2205 1 152 HIS HA 1 153 LYS H 2.500 . 2.700 2.361 2.296 2.455 . 0 0 "[ . 1 . 2]" 1
2206 1 152 HIS H 1 152 HIS HA 3.000 . 3.500 2.858 2.799 2.938 . 0 0 "[ . 1 . 2]" 1
2207 1 152 HIS H 1 152 HIS HB3 3.000 . 3.500 3.476 3.272 3.517 0.017 15 0 "[ . 1 . 2]" 1
2208 1 152 HIS H 1 152 HIS HB2 3.500 . 5.000 3.977 3.737 4.080 . 0 0 "[ . 1 . 2]" 1
2209 1 152 HIS H 1 152 HIS HD2 3.500 . 5.000 4.662 4.341 4.950 . 0 0 "[ . 1 . 2]" 1
2210 1 152 HIS H 1 153 LYS H 3.500 . 5.000 4.339 4.256 4.432 . 0 0 "[ . 1 . 2]" 1
2211 1 152 HIS H 1 153 LYS HA 3.500 . 5.000 4.648 4.565 4.793 . 0 0 "[ . 1 . 2]" 1
2212 1 152 HIS HB2 1 153 LYS H 2.500 . 2.700 2.569 2.344 2.712 0.012 6 0 "[ . 1 . 2]" 1
2213 1 152 HIS HB3 1 153 LYS H 3.500 . 5.000 3.822 3.566 3.958 . 0 0 "[ . 1 . 2]" 1
2214 1 152 HIS HD2 1 153 LYS H 3.500 . 5.000 4.031 3.448 4.962 . 0 0 "[ . 1 . 2]" 1
2215 1 152 HIS H 1 158 TRP HB3 4.000 . 6.000 3.600 3.275 5.430 . 0 0 "[ . 1 . 2]" 1
2216 1 152 HIS H 1 158 TRP HB2 3.500 . 5.000 4.978 4.164 5.030 0.030 14 0 "[ . 1 . 2]" 1
2217 1 152 HIS H 1 158 TRP HA 3.500 . 5.000 4.167 3.835 4.644 . 0 0 "[ . 1 . 2]" 1
2218 1 152 HIS H 1 159 VAL H 3.000 . 3.500 3.021 2.448 3.272 . 0 0 "[ . 1 . 2]" 1
2219 1 152 HIS H 1 159 VAL HA 3.500 . 5.000 4.700 4.495 4.948 . 0 0 "[ . 1 . 2]" 1
2220 1 152 HIS H 1 159 VAL HB 3.500 . 5.000 4.523 3.502 5.004 0.004 4 0 "[ . 1 . 2]" 1
2221 1 152 HIS HA 1 159 VAL H 3.500 . 5.000 4.774 4.453 5.007 0.007 18 0 "[ . 1 . 2]" 1
2222 1 152 HIS H 1 160 VAL HA 3.500 . 5.000 3.644 3.382 3.828 . 0 0 "[ . 1 . 2]" 1
2223 1 152 HIS H 1 161 CYS H 3.500 . 5.000 4.974 4.801 5.011 0.011 20 0 "[ . 1 . 2]" 1
2224 1 153 LYS HA 1 154 ARG H 2.500 . 2.700 2.152 2.131 2.183 . 0 0 "[ . 1 . 2]" 1
2225 1 153 LYS H 1 153 LYS HA 3.000 . 3.500 2.907 2.867 2.947 . 0 0 "[ . 1 . 2]" 1
2226 1 153 LYS H 1 153 LYS HB2 3.000 . 3.500 2.684 2.364 3.078 . 0 0 "[ . 1 . 2]" 1
2227 1 153 LYS H 1 153 LYS HB3 3.000 . 3.500 2.590 2.473 2.763 . 0 0 "[ . 1 . 2]" 1
2228 1 153 LYS H 1 153 LYS HG3 3.500 . 5.000 4.460 4.350 4.613 . 0 0 "[ . 1 . 2]" 1
2229 1 153 LYS H 1 153 LYS HG2 3.500 . 5.000 4.550 4.456 4.740 . 0 0 "[ . 1 . 2]" 1
2230 1 153 LYS H 1 153 LYS HD3 4.000 . 6.000 5.104 4.808 5.465 . 0 0 "[ . 1 . 2]" 1
2231 1 153 LYS H 1 153 LYS HD2 4.000 . 6.000 4.974 4.699 5.308 . 0 0 "[ . 1 . 2]" 1
2232 1 153 LYS H 1 154 ARG H 4.000 . 6.000 4.478 4.276 4.530 . 0 0 "[ . 1 . 2]" 1
2233 1 153 LYS HA 1 154 ARG HA 3.500 . 5.000 4.400 4.392 4.419 . 0 0 "[ . 1 . 2]" 1
2234 1 153 LYS HB3 1 154 ARG HA 4.000 . 6.000 4.676 4.512 4.856 . 0 0 "[ . 1 . 2]" 1
2235 1 153 LYS HG3 1 154 ARG HA 4.000 . 6.000 4.738 3.785 5.871 . 0 0 "[ . 1 . 2]" 1
2236 1 153 LYS HB2 1 154 ARG H 3.500 . 5.000 4.274 4.159 4.400 . 0 0 "[ . 1 . 2]" 1
2237 1 153 LYS HB3 1 154 ARG H 3.500 . 5.000 4.123 3.969 4.294 . 0 0 "[ . 1 . 2]" 1
2238 1 153 LYS QG 1 154 ARG H 4.500 . 6.500 2.644 2.418 2.895 . 0 0 "[ . 1 . 2]" 1
2239 1 153 LYS HE2 1 154 ARG H 4.000 . 6.000 5.586 4.446 6.001 0.001 10 0 "[ . 1 . 2]" 1
2240 1 153 LYS HE3 1 154 ARG H 3.500 . 5.000 4.420 3.606 4.792 . 0 0 "[ . 1 . 2]" 1
2241 1 153 LYS HE3 1 154 ARG HA 4.000 . 6.000 5.890 5.606 6.004 0.004 11 0 "[ . 1 . 2]" 1
2242 1 153 LYS HA 1 154 ARG QB 4.000 . 5.500 4.054 3.980 4.423 . 0 0 "[ . 1 . 2]" 1
2243 1 153 LYS HE3 1 156 ASN H 4.000 . 6.000 4.935 4.225 5.462 . 0 0 "[ . 1 . 2]" 1
2244 1 153 LYS HG3 1 157 ASP H 3.500 . 5.000 3.676 3.032 4.360 . 0 0 "[ . 1 . 2]" 1
2245 1 153 LYS HD3 1 157 ASP H 4.000 . 6.000 5.384 4.821 6.000 . 0 0 "[ . 1 . 2]" 1
2246 1 153 LYS HA 1 157 ASP H 3.500 . 5.000 4.553 4.447 4.887 . 0 0 "[ . 1 . 2]" 1
2247 1 153 LYS HA 1 158 TRP HB2 4.000 . 6.000 4.388 4.033 4.733 . 0 0 "[ . 1 . 2]" 1
2248 1 153 LYS HB2 1 158 TRP HA 3.500 . 5.000 4.271 3.801 4.560 . 0 0 "[ . 1 . 2]" 1
2249 1 153 LYS HG3 1 158 TRP H 4.000 . 6.000 5.431 4.641 6.000 0.000 1 0 "[ . 1 . 2]" 1
2250 1 153 LYS HD2 1 158 TRP HD1 4.000 . 6.000 3.630 1.993 4.846 . 0 0 "[ . 1 . 2]" 1
2251 1 153 LYS HD3 1 158 TRP HD1 4.000 . 6.000 4.594 2.783 5.831 . 0 0 "[ . 1 . 2]" 1
2252 1 153 LYS HD3 1 158 TRP HE1 3.500 . 5.000 3.951 1.997 5.003 0.003 11 0 "[ . 1 . 2]" 1
2253 1 153 LYS HD2 1 158 TRP HE1 3.500 . 5.000 3.133 1.998 5.003 0.003 18 0 "[ . 1 . 2]" 1
2254 1 153 LYS HE2 1 158 TRP HD1 4.000 . 6.000 5.262 3.562 6.002 0.002 9 0 "[ . 1 . 2]" 1
2255 1 153 LYS HE2 1 158 TRP HE1 4.000 . 6.000 4.946 3.911 5.522 . 0 0 "[ . 1 . 2]" 1
2256 1 153 LYS HE3 1 158 TRP HD1 3.500 . 5.000 4.113 2.266 5.001 0.001 9 0 "[ . 1 . 2]" 1
2257 1 153 LYS HE3 1 158 TRP HE1 3.500 . 5.000 4.452 3.677 4.853 . 0 0 "[ . 1 . 2]" 1
2258 1 153 LYS HA 1 158 TRP HA 3.000 . 3.500 2.036 1.949 2.285 . 0 0 "[ . 1 . 2]" 1
2259 1 153 LYS H 1 158 TRP HA 4.000 . 6.000 4.462 4.358 4.870 . 0 0 "[ . 1 . 2]" 1
2260 1 153 LYS HA 1 158 TRP H 4.000 . 6.000 4.556 4.408 4.854 . 0 0 "[ . 1 . 2]" 1
2261 1 153 LYS HA 1 159 VAL H 3.000 . 3.500 3.473 3.393 3.512 0.012 6 0 "[ . 1 . 2]" 1
2262 1 154 ARG H 1 154 ARG QB 3.500 . 4.000 2.554 2.433 2.613 . 0 0 "[ . 1 . 2]" 1
2263 1 154 ARG H 1 154 ARG QG 4.000 . 4.500 3.968 2.810 4.243 . 0 0 "[ . 1 . 2]" 1
2264 1 154 ARG H 1 154 ARG QD 3.500 . 5.000 4.631 3.491 5.002 0.002 20 0 "[ . 1 . 2]" 1
2265 1 154 ARG H 1 155 GLY H 4.000 . 6.000 3.883 3.785 4.088 . 0 0 "[ . 1 . 2]" 1
2266 1 154 ARG QD 1 155 GLY H 4.000 . 6.000 5.028 3.457 5.816 . 0 0 "[ . 1 . 2]" 1
2267 1 154 ARG QB 1 157 ASP H 4.000 . 6.000 4.251 4.090 4.323 . 0 0 "[ . 1 . 2]" 1
2268 1 154 ARG QG 1 157 ASP H 4.000 . 6.000 5.688 5.060 5.993 . 0 0 "[ . 1 . 2]" 1
2269 1 154 ARG H 1 157 ASP H 3.000 . 3.500 3.190 3.035 3.509 0.009 18 0 "[ . 1 . 2]" 1
2270 1 154 ARG H 1 157 ASP HB2 3.500 . 5.000 5.012 4.643 5.055 0.055 10 0 "[ . 1 . 2]" 1
2271 1 154 ARG QB 1 158 TRP HA 4.500 . 6.500 3.894 3.445 4.909 . 0 0 "[ . 1 . 2]" 1
2272 1 154 ARG H 1 158 TRP HA 3.500 . 5.000 2.606 2.241 3.267 . 0 0 "[ . 1 . 2]" 1
2273 1 154 ARG H 1 159 VAL MG1 4.500 . 6.500 6.006 5.775 6.500 0.000 11 0 "[ . 1 . 2]" 1
2274 1 154 ARG H 1 159 VAL MG2 3.500 . 5.000 3.484 3.299 3.982 . 0 0 "[ . 1 . 2]" 1
2275 1 154 ARG H 1 159 VAL H 3.500 . 5.000 3.739 3.250 4.498 . 0 0 "[ . 1 . 2]" 1
2276 1 154 ARG QB 1 159 VAL MG2 4.000 . 5.500 2.128 1.798 3.724 0.002 17 0 "[ . 1 . 2]" 1
2277 1 154 ARG QG 1 159 VAL MG2 4.500 . 6.500 3.036 1.992 5.050 . 0 0 "[ . 1 . 2]" 1
2278 1 154 ARG H 1 156 ASN H 4.000 . 6.000 5.174 5.022 5.456 . 0 0 "[ . 1 . 2]" 1
2279 1 155 GLY H 1 155 GLY HA3 3.000 . 3.500 2.868 2.867 2.871 . 0 0 "[ . 1 . 2]" 1
2280 1 155 GLY HA2 1 156 ASN H 3.000 . 3.500 3.366 3.290 3.376 . 0 0 "[ . 1 . 2]" 1
2281 1 155 GLY HA3 1 156 ASN H 3.000 . 3.500 2.153 2.136 2.158 . 0 0 "[ . 1 . 2]" 1
2282 1 155 GLY HA2 1 157 ASP H 3.500 . 5.000 4.593 4.387 4.653 . 0 0 "[ . 1 . 2]" 1
2283 1 155 GLY HA3 1 157 ASP H 3.500 . 5.000 3.873 3.574 3.963 . 0 0 "[ . 1 . 2]" 1
2284 1 155 GLY HA3 1 157 ASP HB3 4.000 . 6.000 6.022 6.012 6.037 0.037 10 0 "[ . 1 . 2]" 1
2285 1 156 ASN H 1 156 ASN HA 3.000 . 3.500 2.947 2.935 2.949 . 0 0 "[ . 1 . 2]" 1
2286 1 156 ASN H 1 156 ASN HB2 3.000 . 3.500 2.657 2.391 2.961 . 0 0 "[ . 1 . 2]" 1
2287 1 156 ASN H 1 156 ASN HB3 3.500 . 5.000 3.092 2.682 3.628 . 0 0 "[ . 1 . 2]" 1
2288 1 156 ASN H 1 157 ASP H 3.000 . 3.500 2.705 2.191 2.827 . 0 0 "[ . 1 . 2]" 1
2289 1 156 ASN HB3 1 157 ASP H 3.500 . 5.000 4.218 3.868 4.403 . 0 0 "[ . 1 . 2]" 1
2290 1 156 ASN HA 1 157 ASP HA 3.500 . 5.000 4.364 4.352 4.496 . 0 0 "[ . 1 . 2]" 1
2291 1 156 ASN H 1 157 ASP HB2 4.000 . 6.000 3.776 3.568 5.262 . 0 0 "[ . 1 . 2]" 1
2292 1 156 ASN H 1 157 ASP HB3 4.000 . 6.000 4.790 4.385 5.073 . 0 0 "[ . 1 . 2]" 1
2293 1 157 ASP H 1 157 ASP HA 3.000 . 3.500 2.860 2.848 2.936 . 0 0 "[ . 1 . 2]" 1
2294 1 157 ASP H 1 157 ASP HB2 3.000 . 3.500 3.071 2.983 3.614 0.114 18 0 "[ . 1 . 2]" 1
2295 1 157 ASP H 1 157 ASP HB3 3.000 . 3.500 3.445 3.303 3.503 0.003 8 0 "[ . 1 . 2]" 1
2296 1 157 ASP HA 1 158 TRP H 2.500 . 2.700 2.538 2.195 2.706 0.006 8 0 "[ . 1 . 2]" 1
2297 1 157 ASP H 1 158 TRP H 4.000 . 6.000 4.324 4.189 4.415 . 0 0 "[ . 1 . 2]" 1
2298 1 157 ASP HA 1 158 TRP HD1 3.000 . 3.500 3.407 3.262 3.507 0.007 16 0 "[ . 1 . 2]" 1
2299 1 157 ASP HB2 1 158 TRP H 3.500 . 5.000 3.812 3.094 4.391 . 0 0 "[ . 1 . 2]" 1
2300 1 157 ASP HB3 1 158 TRP H 3.500 . 5.000 2.730 2.233 3.894 . 0 0 "[ . 1 . 2]" 1
2301 1 158 TRP H 1 158 TRP HA 3.000 . 3.500 2.932 2.889 2.946 . 0 0 "[ . 1 . 2]" 1
2302 1 158 TRP H 1 158 TRP HB2 3.000 . 3.500 2.623 2.316 3.532 0.032 18 0 "[ . 1 . 2]" 1
2303 1 158 TRP H 1 158 TRP HB3 3.000 . 3.500 3.570 3.505 3.607 0.107 15 0 "[ . 1 . 2]" 1
2304 1 158 TRP H 1 158 TRP HD1 3.500 . 5.000 3.264 2.113 3.636 . 0 0 "[ . 1 . 2]" 1
2305 1 158 TRP HA 1 159 VAL H 2.500 . 2.700 2.217 2.149 2.403 . 0 0 "[ . 1 . 2]" 1
2306 1 158 TRP H 1 159 VAL H 4.000 . 6.000 4.367 4.226 4.577 . 0 0 "[ . 1 . 2]" 1
2307 1 158 TRP HB2 1 159 VAL H 3.500 . 5.000 4.082 2.953 4.493 . 0 0 "[ . 1 . 2]" 1
2308 1 158 TRP HB3 1 159 VAL H 3.500 . 5.000 3.284 2.573 3.865 . 0 0 "[ . 1 . 2]" 1
2309 1 158 TRP HA 1 159 VAL MG2 4.000 . 5.500 3.377 3.175 3.627 . 0 0 "[ . 1 . 2]" 1
2310 1 159 VAL H 1 159 VAL HB 3.000 . 3.500 2.792 2.624 3.532 0.032 18 0 "[ . 1 . 2]" 1
2311 1 159 VAL H 1 159 VAL MG1 4.000 . 5.500 3.873 3.457 3.984 . 0 0 "[ . 1 . 2]" 1
2312 1 159 VAL H 1 159 VAL MG2 4.000 . 5.500 2.521 1.942 2.943 . 0 0 "[ . 1 . 2]" 1
2313 1 159 VAL HA 1 160 VAL H 2.500 . 2.700 2.244 2.196 2.466 . 0 0 "[ . 1 . 2]" 1
2314 1 159 VAL H 1 160 VAL H 4.000 . 6.000 4.458 4.299 4.560 . 0 0 "[ . 1 . 2]" 1
2315 1 159 VAL HB 1 160 VAL HA 3.500 . 5.000 4.785 4.086 4.933 . 0 0 "[ . 1 . 2]" 1
2316 1 159 VAL HB 1 160 VAL H 3.500 . 5.000 3.764 2.350 3.965 . 0 0 "[ . 1 . 2]" 1
2317 1 159 VAL MG1 1 161 CYS H 4.500 . 6.500 4.656 4.283 6.307 . 0 0 "[ . 1 . 2]" 1
2318 1 160 VAL H 1 160 VAL HA 3.000 . 3.500 2.927 2.900 2.948 . 0 0 "[ . 1 . 2]" 1
2319 1 160 VAL H 1 160 VAL MG1 4.000 . 5.500 2.285 1.946 3.014 . 0 0 "[ . 1 . 2]" 1
2320 1 160 VAL H 1 160 VAL MG2 4.000 . 5.500 3.193 1.933 3.913 . 0 0 "[ . 1 . 2]" 1
2321 1 160 VAL HA 1 161 CYS H 2.500 . 2.700 2.181 2.143 2.299 . 0 0 "[ . 1 . 2]" 1
2322 1 160 VAL H 1 161 CYS HA 4.000 . 6.000 5.142 4.814 5.290 . 0 0 "[ . 1 . 2]" 1
2323 1 160 VAL H 1 161 CYS H 4.000 . 6.000 4.485 4.372 4.560 . 0 0 "[ . 1 . 2]" 1
2324 1 160 VAL HB 1 161 CYS H 3.500 . 5.000 3.809 2.990 4.248 . 0 0 "[ . 1 . 2]" 1
2325 1 160 VAL MG2 1 161 CYS H 4.000 . 5.500 2.898 2.054 4.136 . 0 0 "[ . 1 . 2]" 1
2326 1 160 VAL HA 1 161 CYS HA 3.500 . 5.000 4.362 4.346 4.402 . 0 0 "[ . 1 . 2]" 1
2327 1 160 VAL HA 1 161 CYS HB2 4.000 . 6.000 4.750 4.164 5.684 . 0 0 "[ . 1 . 2]" 1
2328 1 160 VAL MG1 1 162 GLY H 4.500 . 6.500 4.898 4.169 5.435 . 0 0 "[ . 1 . 2]" 1
2329 1 160 VAL MG2 1 162 GLY H 4.000 . 5.500 3.534 2.146 5.178 . 0 0 "[ . 1 . 2]" 1
2330 1 161 CYS H 1 161 CYS HA 3.000 . 3.500 2.877 2.813 2.944 . 0 0 "[ . 1 . 2]" 1
2331 1 161 CYS H 1 161 CYS HB2 3.500 . 5.000 2.801 2.130 3.687 . 0 0 "[ . 1 . 2]" 1
2332 1 161 CYS H 1 161 CYS HB3 3.500 . 5.000 2.774 2.441 3.531 . 0 0 "[ . 1 . 2]" 1
2333 1 161 CYS HA 1 162 GLY H 3.000 . 3.500 3.541 3.519 3.551 0.051 17 0 "[ . 1 . 2]" 1
2334 1 161 CYS H 1 162 GLY HA3 4.000 . 6.000 5.270 4.712 5.565 . 0 0 "[ . 1 . 2]" 1
2335 1 161 CYS H 1 162 GLY H 3.500 . 5.000 2.754 2.113 3.147 . 0 0 "[ . 1 . 2]" 1
2336 1 161 CYS HA 1 162 GLY HA3 3.500 . 5.000 4.792 4.670 4.983 . 0 0 "[ . 1 . 2]" 1
2337 1 161 CYS H 1 162 GLY HA2 4.000 . 6.000 4.881 4.555 5.112 . 0 0 "[ . 1 . 2]" 1
2338 1 162 GLY H 1 162 GLY HA2 3.000 . 3.500 2.843 2.706 2.926 . 0 0 "[ . 1 . 2]" 1
2339 1 162 GLY H 1 162 GLY HA3 3.000 . 3.500 2.755 2.635 2.889 . 0 0 "[ . 1 . 2]" 1
2340 1 162 GLY QA 1 163 VAL H 3.000 . 3.200 2.136 2.107 2.242 . 0 0 "[ . 1 . 2]" 1
2341 1 162 GLY H 1 163 VAL HA 4.000 . 6.000 4.569 4.475 4.672 . 0 0 "[ . 1 . 2]" 1
2342 1 162 GLY H 1 163 VAL H 3.500 . 5.000 4.060 3.853 4.301 . 0 0 "[ . 1 . 2]" 1
2343 1 162 GLY H 1 163 VAL MG1 4.000 . 5.500 4.861 4.353 5.006 . 0 0 "[ . 1 . 2]" 1
2344 1 162 GLY QA 1 163 VAL MG1 4.500 . 6.500 3.409 3.350 3.502 . 0 0 "[ . 1 . 2]" 1
2345 1 162 GLY QA 1 163 VAL MG2 4.500 . 6.500 3.327 3.226 3.485 . 0 0 "[ . 1 . 2]" 1
2346 1 163 VAL H 1 163 VAL MG1 4.000 . 5.500 3.191 3.071 3.301 . 0 0 "[ . 1 . 2]" 1
2347 1 163 VAL HA 1 164 HIS H 2.500 . 2.700 2.401 2.287 2.532 . 0 0 "[ . 1 . 2]" 1
2348 1 163 VAL H 1 164 HIS H 4.000 . 6.000 4.451 4.421 4.482 . 0 0 "[ . 1 . 2]" 1
2349 1 163 VAL MG1 1 164 HIS H 4.000 . 5.500 3.495 3.366 3.673 . 0 0 "[ . 1 . 2]" 1
2350 1 163 VAL MG2 1 164 HIS H 4.000 . 5.500 3.649 3.399 3.835 . 0 0 "[ . 1 . 2]" 1
2351 1 163 VAL H 1 164 HIS HA 3.500 . 5.000 4.976 4.825 5.011 0.011 12 0 "[ . 1 . 2]" 1
2352 1 164 HIS H 1 164 HIS HA 3.000 . 3.500 2.851 2.811 2.880 . 0 0 "[ . 1 . 2]" 1
2353 1 164 HIS H 1 164 HIS HB2 2.500 . 2.700 2.303 2.116 2.434 . 0 0 "[ . 1 . 2]" 1
2354 1 164 HIS H 1 164 HIS HB3 3.000 . 3.500 3.010 2.720 3.506 0.006 10 0 "[ . 1 . 2]" 1
2355 1 164 HIS H 1 164 HIS HD2 3.500 . 5.000 4.660 3.666 5.014 0.014 16 0 "[ . 1 . 2]" 1
2356 1 164 HIS HA 1 165 ALA H 2.500 . 2.700 2.173 2.132 2.199 . 0 0 "[ . 1 . 2]" 1
2357 1 164 HIS H 1 165 ALA H 3.500 . 5.000 4.482 4.272 4.600 . 0 0 "[ . 1 . 2]" 1
2358 1 164 HIS HD2 1 165 ALA H 3.500 . 5.000 4.737 3.629 5.026 0.026 13 0 "[ . 1 . 2]" 1
2359 1 164 HIS H 1 165 ALA HA 4.000 . 6.000 5.349 5.197 5.445 . 0 0 "[ . 1 . 2]" 1
2360 1 164 HIS HA 1 166 ALA H 3.500 . 5.000 4.628 4.092 4.866 . 0 0 "[ . 1 . 2]" 1
2361 1 164 HIS HB2 1 165 ALA H 4.000 . 6.000 4.397 4.245 4.623 . 0 0 "[ . 1 . 2]" 1
2362 1 164 HIS HB3 1 165 ALA H 4.000 . 6.000 3.875 3.738 4.139 . 0 0 "[ . 1 . 2]" 1
2363 1 164 HIS HA 1 165 ALA HA 3.500 . 5.000 4.393 4.362 4.434 . 0 0 "[ . 1 . 2]" 1
2364 1 164 HIS HA 1 175 VAL H 4.000 . 6.000 5.220 4.224 6.002 0.002 12 0 "[ . 1 . 2]" 1
2365 1 165 ALA H 1 165 ALA HA 3.000 . 3.500 2.931 2.891 2.951 . 0 0 "[ . 1 . 2]" 1
2366 1 165 ALA H 1 166 ALA H 2.500 . 2.700 2.648 2.318 2.710 0.010 13 0 "[ . 1 . 2]" 1
2367 1 165 ALA H 1 166 ALA HA 4.000 . 6.000 4.651 4.497 4.891 . 0 0 "[ . 1 . 2]" 1
2368 1 165 ALA HA 1 166 ALA H 3.500 . 5.000 3.561 3.549 3.574 . 0 0 "[ . 1 . 2]" 1
2369 1 165 ALA MB 1 166 ALA H 3.500 . 4.500 2.041 1.946 2.387 . 0 0 "[ . 1 . 2]" 1
2370 1 165 ALA H 1 175 VAL H 3.500 . 5.000 3.951 3.509 4.429 . 0 0 "[ . 1 . 2]" 1
2371 1 165 ALA H 1 175 VAL HB 3.500 . 5.000 4.297 3.423 4.946 . 0 0 "[ . 1 . 2]" 1
2372 1 165 ALA MB 1 175 VAL H 4.500 . 6.500 3.698 2.873 4.482 . 0 0 "[ . 1 . 2]" 1
2373 1 166 ALA H 1 166 ALA HA 3.000 . 3.500 2.867 2.808 2.948 . 0 0 "[ . 1 . 2]" 1
2374 1 166 ALA HA 1 167 ALA H 2.500 . 2.700 2.495 2.212 2.524 . 0 0 "[ . 1 . 2]" 1
2375 1 166 ALA MB 1 167 ALA H 3.500 . 4.000 2.299 2.131 2.848 . 0 0 "[ . 1 . 2]" 1
2376 1 166 ALA H 1 167 ALA H 3.500 . 5.000 4.371 4.158 4.462 . 0 0 "[ . 1 . 2]" 1
2377 1 166 ALA H 1 167 ALA HA 3.500 . 5.000 4.708 4.521 5.006 0.006 11 0 "[ . 1 . 2]" 1
2378 1 166 ALA HA 1 167 ALA HA 4.000 . 6.000 4.462 4.338 4.591 . 0 0 "[ . 1 . 2]" 1
2379 1 166 ALA H 1 167 ALA MB 4.500 . 6.500 4.910 4.312 5.381 . 0 0 "[ . 1 . 2]" 1
2380 1 166 ALA HA 1 167 ALA MB 3.500 . 5.000 3.855 3.723 4.015 . 0 0 "[ . 1 . 2]" 1
2381 1 166 ALA H 1 175 VAL H 3.000 . 3.500 2.930 2.531 3.317 . 0 0 "[ . 1 . 2]" 1
2382 1 166 ALA H 1 174 VAL HB 3.500 . 5.000 4.420 3.316 5.020 0.020 16 0 "[ . 1 . 2]" 1
2383 1 166 ALA H 1 174 VAL HA 4.000 . 6.000 4.559 4.004 5.168 . 0 0 "[ . 1 . 2]" 1
2384 1 166 ALA H 1 175 VAL HB 4.000 . 6.000 2.947 2.078 3.534 . 0 0 "[ . 1 . 2]" 1
2385 1 166 ALA MB 1 175 VAL H 4.000 . 5.500 4.401 3.375 5.054 . 0 0 "[ . 1 . 2]" 1
2386 1 166 ALA H 1 175 VAL MG1 4.500 . 6.500 4.404 3.594 4.888 . 0 0 "[ . 1 . 2]" 1
2387 1 166 ALA H 1 175 VAL MG2 4.500 . 6.500 3.726 3.089 4.417 . 0 0 "[ . 1 . 2]" 1
2388 1 166 ALA HA 1 175 VAL HB 4.000 . 6.000 5.498 4.632 6.004 0.004 10 0 "[ . 1 . 2]" 1
2389 1 167 ALA H 1 167 ALA HA 3.000 . 3.500 2.919 2.859 2.949 . 0 0 "[ . 1 . 2]" 1
2390 1 167 ALA HA 1 168 THR H 2.500 . 2.700 2.431 2.142 2.619 . 0 0 "[ . 1 . 2]" 1
2391 1 167 ALA H 1 168 THR H 3.500 . 5.000 4.449 4.339 4.595 . 0 0 "[ . 1 . 2]" 1
2392 1 167 ALA HA 1 168 THR HA 4.000 . 6.000 4.347 4.316 4.378 . 0 0 "[ . 1 . 2]" 1
2393 1 167 ALA HA 1 168 THR MG 4.500 . 6.500 4.895 4.115 5.284 . 0 0 "[ . 1 . 2]" 1
2394 1 167 ALA MB 1 168 THR HA 4.500 . 6.500 4.194 4.103 4.416 . 0 0 "[ . 1 . 2]" 1
2395 1 167 ALA MB 1 168 THR H 4.000 . 5.500 2.440 1.966 3.174 . 0 0 "[ . 1 . 2]" 1
2396 1 167 ALA HA 1 173 THR H 4.000 . 6.000 4.484 3.958 4.913 . 0 0 "[ . 1 . 2]" 1
2397 1 167 ALA HA 1 173 THR HA 4.500 . 6.500 5.383 4.930 5.695 . 0 0 "[ . 1 . 2]" 1
2398 1 167 ALA HA 1 173 THR HB 3.500 . 5.000 4.796 4.273 5.002 0.002 20 0 "[ . 1 . 2]" 1
2399 1 167 ALA HA 1 174 VAL MG1 4.000 . 5.500 2.941 1.957 4.077 . 0 0 "[ . 1 . 2]" 1
2400 1 167 ALA HA 1 174 VAL HA 2.500 . 2.700 2.198 1.969 2.704 0.004 13 0 "[ . 1 . 2]" 1
2401 1 167 ALA HA 1 174 VAL H 4.000 . 6.000 4.626 4.110 5.106 . 0 0 "[ . 1 . 2]" 1
2402 1 167 ALA HA 1 174 VAL HB 3.500 . 5.000 4.281 3.693 5.004 0.004 5 0 "[ . 1 . 2]" 1
2403 1 167 ALA MB 1 174 VAL HA 4.000 . 5.500 3.010 1.943 4.069 . 0 0 "[ . 1 . 2]" 1
2404 1 167 ALA MB 1 174 VAL HB 4.500 . 6.500 4.123 3.302 5.861 . 0 0 "[ . 1 . 2]" 1
2405 1 167 ALA MB 1 174 VAL MG1 4.500 . 6.500 2.268 1.794 4.046 0.006 19 0 "[ . 1 . 2]" 1
2406 1 167 ALA HA 1 175 VAL H 3.500 . 5.000 3.761 3.292 4.701 . 0 0 "[ . 1 . 2]" 1
2407 1 167 ALA MB 1 175 VAL H 4.000 . 5.500 4.487 3.430 5.501 0.001 5 0 "[ . 1 . 2]" 1
2408 1 168 THR H 1 168 THR HA 3.000 . 3.500 2.908 2.841 2.917 . 0 0 "[ . 1 . 2]" 1
2409 1 168 THR H 1 168 THR HB 3.000 . 3.500 3.098 2.845 3.497 . 0 0 "[ . 1 . 2]" 1
2410 1 168 THR H 1 168 THR MG 4.000 . 5.500 3.522 2.874 3.771 . 0 0 "[ . 1 . 2]" 1
2411 1 168 THR H 1 169 LYS H 4.000 . 6.000 4.543 4.496 4.620 . 0 0 "[ . 1 . 2]" 1
2412 1 168 THR HA 1 169 LYS H 2.500 . 2.700 2.452 2.235 2.590 . 0 0 "[ . 1 . 2]" 1
2413 1 168 THR HB 1 169 LYS H 3.500 . 5.000 2.853 2.162 3.501 . 0 0 "[ . 1 . 2]" 1
2414 1 168 THR HB 1 170 SER H 3.500 . 5.000 2.832 2.279 3.830 . 0 0 "[ . 1 . 2]" 1
2415 1 168 THR HA 1 170 SER H 4.000 . 6.000 4.382 3.778 4.861 . 0 0 "[ . 1 . 2]" 1
2416 1 168 THR HB 1 170 SER HA 3.500 . 5.000 4.971 4.914 5.008 0.008 6 0 "[ . 1 . 2]" 1
2417 1 168 THR H 1 173 THR H 3.500 . 5.000 3.002 2.207 3.669 . 0 0 "[ . 1 . 2]" 1
2418 1 168 THR H 1 173 THR HA 4.000 . 6.000 4.745 4.530 5.258 . 0 0 "[ . 1 . 2]" 1
2419 1 168 THR HB 1 173 THR H 4.000 . 6.000 3.933 2.557 4.861 . 0 0 "[ . 1 . 2]" 1
2420 1 168 THR MG 1 173 THR H 4.500 . 6.500 4.756 3.213 5.944 . 0 0 "[ . 1 . 2]" 1
2421 1 168 THR H 1 173 THR HB 3.500 . 5.000 3.532 2.725 4.150 . 0 0 "[ . 1 . 2]" 1
2422 1 168 THR H 1 173 THR MG 3.500 . 5.000 4.587 3.763 5.000 0.000 11 0 "[ . 1 . 2]" 1
2423 1 168 THR H 1 174 VAL HA 3.500 . 5.000 3.723 3.214 4.522 . 0 0 "[ . 1 . 2]" 1
2424 1 168 THR H 1 172 ASN H 4.000 . 6.000 4.943 3.646 5.989 . 0 0 "[ . 1 . 2]" 1
2425 1 169 LYS H 1 169 LYS QB 3.500 . 4.000 2.407 2.121 2.739 . 0 0 "[ . 1 . 2]" 1
2426 1 169 LYS QB 1 170 SER QB 4.000 . 6.000 4.344 3.065 5.262 . 0 0 "[ . 1 . 2]" 1
2427 1 169 LYS HG3 1 170 SER QB 4.000 . 6.000 4.493 2.710 5.998 . 0 0 "[ . 1 . 2]" 1
2428 1 169 LYS QB 1 170 SER H 4.000 . 6.000 3.004 2.216 3.798 . 0 0 "[ . 1 . 2]" 1
2429 1 169 LYS HG2 1 170 SER H 4.000 . 6.000 3.793 2.136 5.171 . 0 0 "[ . 1 . 2]" 1
2430 1 169 LYS QE 1 170 SER H 4.000 . 6.000 5.118 4.002 6.000 . 0 0 "[ . 1 . 2]" 1
2431 1 169 LYS HA 1 170 SER HA 3.500 . 5.000 4.669 4.541 4.776 . 0 0 "[ . 1 . 2]" 1
2432 1 170 SER H 1 170 SER QB 3.500 . 4.000 2.510 2.146 3.146 . 0 0 "[ . 1 . 2]" 1
2433 1 170 SER H 1 171 GLY QA 4.000 . 6.000 4.226 3.854 4.570 . 0 0 "[ . 1 . 2]" 1
2434 1 170 SER HA 1 171 GLY H 3.500 . 5.000 3.322 3.097 3.422 . 0 0 "[ . 1 . 2]" 1
2435 1 170 SER QB 1 171 GLY H 4.000 . 5.500 3.388 3.099 3.998 . 0 0 "[ . 1 . 2]" 1
2436 1 171 GLY QA 1 172 ASN HA 4.000 . 5.500 4.247 3.969 4.554 . 0 0 "[ . 1 . 2]" 1
2437 1 171 GLY QA 1 172 ASN H 3.500 . 4.000 2.601 2.118 2.880 . 0 0 "[ . 1 . 2]" 1
2438 1 171 GLY H 1 172 ASN H 3.000 . 3.500 2.959 1.929 3.516 0.016 14 0 "[ . 1 . 2]" 1
2439 1 171 GLY QA 1 173 THR H 4.500 . 6.500 3.913 3.645 4.561 . 0 0 "[ . 1 . 2]" 1
2440 1 172 ASN H 1 172 ASN HA 3.000 . 3.500 2.580 2.272 2.920 . 0 0 "[ . 1 . 2]" 1
2441 1 172 ASN H 1 172 ASN HB2 3.000 . 3.500 3.063 2.354 3.505 0.005 9 0 "[ . 1 . 2]" 1
2442 1 172 ASN H 1 172 ASN HB3 3.500 . 5.000 3.892 3.598 4.100 . 0 0 "[ . 1 . 2]" 1
2443 1 172 ASN HA 1 173 THR H 2.500 . 2.700 2.628 2.394 2.708 0.008 16 0 "[ . 1 . 2]" 1
2444 1 172 ASN H 1 173 THR H 3.500 . 5.000 2.988 2.408 3.550 . 0 0 "[ . 1 . 2]" 1
2445 1 172 ASN HA 1 173 THR HA 3.500 . 5.000 4.370 4.315 4.528 . 0 0 "[ . 1 . 2]" 1
2446 1 172 ASN HB2 1 173 THR H 3.500 . 5.000 4.383 4.307 4.621 . 0 0 "[ . 1 . 2]" 1
2447 1 172 ASN HB2 1 173 THR HA 4.000 . 6.000 5.099 4.766 5.533 . 0 0 "[ . 1 . 2]" 1
2448 1 172 ASN HB3 1 173 THR H 3.500 . 5.000 4.382 4.234 4.464 . 0 0 "[ . 1 . 2]" 1
2449 1 172 ASN HB3 1 173 THR HA 4.000 . 6.000 4.747 4.451 4.991 . 0 0 "[ . 1 . 2]" 1
2450 1 173 THR H 1 173 THR HA 3.000 . 3.500 2.904 2.872 2.947 . 0 0 "[ . 1 . 2]" 1
2451 1 173 THR H 1 173 THR HB 3.500 . 5.000 3.069 2.667 3.864 . 0 0 "[ . 1 . 2]" 1
2452 1 173 THR H 1 173 THR MG 4.000 . 5.500 3.928 3.552 4.062 . 0 0 "[ . 1 . 2]" 1
2453 1 173 THR HA 1 174 VAL H 2.500 . 2.700 2.185 2.140 2.403 . 0 0 "[ . 1 . 2]" 1
2454 1 173 THR H 1 174 VAL H 3.500 . 5.000 4.207 3.931 4.487 . 0 0 "[ . 1 . 2]" 1
2455 1 173 THR HA 1 174 VAL MG1 4.000 . 5.500 3.958 3.612 5.405 . 0 0 "[ . 1 . 2]" 1
2456 1 173 THR HA 1 174 VAL MG2 4.000 . 5.500 3.613 3.215 3.831 . 0 0 "[ . 1 . 2]" 1
2457 1 173 THR HB 1 174 VAL H 3.500 . 5.000 3.906 2.970 4.292 . 0 0 "[ . 1 . 2]" 1
2458 1 173 THR MG 1 174 VAL H 3.500 . 4.000 2.724 1.947 3.830 . 0 0 "[ . 1 . 2]" 1
2459 1 173 THR HB 1 174 VAL HA 3.500 . 5.000 4.615 4.246 4.858 . 0 0 "[ . 1 . 2]" 1
2460 1 174 VAL H 1 174 VAL HA 3.000 . 3.500 2.943 2.919 2.949 . 0 0 "[ . 1 . 2]" 1
2461 1 174 VAL H 1 174 VAL HB 3.500 . 5.000 3.678 2.836 3.895 . 0 0 "[ . 1 . 2]" 1
2462 1 174 VAL H 1 174 VAL MG1 3.500 . 4.000 3.017 2.748 3.883 . 0 0 "[ . 1 . 2]" 1
2463 1 174 VAL H 1 174 VAL MG2 3.500 . 4.000 2.103 1.956 2.422 . 0 0 "[ . 1 . 2]" 1
2464 1 174 VAL HA 1 175 VAL H 2.500 . 2.700 2.394 2.229 2.530 . 0 0 "[ . 1 . 2]" 1
2465 1 174 VAL H 1 175 VAL H 3.500 . 5.000 4.491 4.382 4.526 . 0 0 "[ . 1 . 2]" 1
2466 1 174 VAL H 1 175 VAL MG2 4.500 . 6.500 4.668 4.353 4.936 . 0 0 "[ . 1 . 2]" 1
2467 1 174 VAL HB 1 175 VAL H 3.000 . 3.500 2.459 2.089 3.507 0.007 16 0 "[ . 1 . 2]" 1
2468 1 174 VAL MG1 1 175 VAL H 4.000 . 5.500 3.424 1.926 3.748 . 0 0 "[ . 1 . 2]" 1
2469 1 174 VAL MG2 1 175 VAL H 4.000 . 5.500 3.620 3.273 4.070 . 0 0 "[ . 1 . 2]" 1
2470 1 174 VAL HA 1 175 VAL HB 3.500 . 5.000 4.764 4.716 4.850 . 0 0 "[ . 1 . 2]" 1
2471 1 174 VAL HA 1 175 VAL MG2 4.000 . 5.500 3.257 3.085 3.471 . 0 0 "[ . 1 . 2]" 1
2472 1 174 VAL MG2 1 175 VAL HA 4.500 . 6.500 4.134 3.781 5.509 . 0 0 "[ . 1 . 2]" 1
2473 1 175 VAL H 1 175 VAL HA 3.000 . 3.500 2.946 2.941 2.949 . 0 0 "[ . 1 . 2]" 1
2474 1 175 VAL H 1 175 VAL HB 3.000 . 3.500 2.712 2.661 2.822 . 0 0 "[ . 1 . 2]" 1
2475 1 175 VAL H 1 175 VAL MG1 4.000 . 5.500 3.882 3.859 3.930 . 0 0 "[ . 1 . 2]" 1
2476 1 175 VAL H 1 175 VAL MG2 4.000 . 5.500 2.569 2.401 2.819 . 0 0 "[ . 1 . 2]" 1
2477 1 175 VAL HA 1 176 CYS H 2.500 . 2.700 2.167 2.142 2.334 . 0 0 "[ . 1 . 2]" 1
2478 1 175 VAL HB 1 176 CYS H 3.500 . 5.000 4.160 3.600 4.354 . 0 0 "[ . 1 . 2]" 1
2479 1 175 VAL MG1 1 176 CYS H 3.500 . 4.500 2.728 1.950 3.137 . 0 0 "[ . 1 . 2]" 1
2480 1 179 GLN H 1 179 GLN HA 3.000 . 3.500 2.702 2.273 2.944 . 0 0 "[ . 1 . 2]" 1
2481 1 179 GLN H 1 179 GLN QB 3.500 . 4.000 2.619 2.111 3.313 . 0 0 "[ . 1 . 2]" 1
2482 1 179 GLN H 1 179 GLN QG 4.000 . 5.500 3.480 1.991 4.503 . 0 0 "[ . 1 . 2]" 1
2483 1 179 GLN H 1 180 ALA H 4.000 . 6.000 4.194 2.680 4.633 . 0 0 "[ . 1 . 2]" 1
2484 1 179 GLN HA 1 180 ALA H 2.500 . 4.000 2.362 2.155 2.911 . 0 0 "[ . 1 . 2]" 1
2485 1 179 GLN HA 1 180 ALA MB 4.000 . 5.500 4.009 3.726 4.531 . 0 0 "[ . 1 . 2]" 1
2486 1 179 GLN HA 1 180 ALA HA 3.500 . 5.000 4.473 4.316 4.761 . 0 0 "[ . 1 . 2]" 1
2487 1 180 ALA H 1 180 ALA HA 3.000 . 3.500 2.836 2.275 2.945 . 0 0 "[ . 1 . 2]" 1
2488 1 180 ALA H 1 181 GLY H 3.500 . 5.000 4.216 3.652 4.617 . 0 0 "[ . 1 . 2]" 1
2489 1 180 ALA HA 1 181 GLY H 2.500 . 2.700 2.341 2.144 2.701 0.001 6 0 "[ . 1 . 2]" 1
2490 1 180 ALA MB 1 181 GLY H 4.000 . 5.500 2.844 1.969 3.630 . 0 0 "[ . 1 . 2]" 1
2491 1 180 ALA HA 1 181 GLY HA3 3.500 . 5.000 4.412 4.302 4.541 . 0 0 "[ . 1 . 2]" 1
2492 1 180 ALA HA 1 181 GLY HA2 3.500 . 5.000 4.475 4.346 4.839 . 0 0 "[ . 1 . 2]" 1
2493 1 180 ALA MB 1 181 GLY HA3 4.500 . 6.500 4.269 3.707 5.016 . 0 0 "[ . 1 . 2]" 1
2494 1 180 ALA MB 1 181 GLY HA2 4.500 . 6.500 4.091 3.673 4.788 . 0 0 "[ . 1 . 2]" 1
2495 1 181 GLY H 1 181 GLY HA2 3.000 . 3.500 2.687 2.294 2.951 . 0 0 "[ . 1 . 2]" 1
2496 1 181 GLY H 1 181 GLY HA3 3.000 . 3.500 2.734 2.327 2.954 . 0 0 "[ . 1 . 2]" 1
2497 1 181 GLY H 1 182 GLU HA 4.000 . 6.000 4.925 4.260 5.645 . 0 0 "[ . 1 . 2]" 1
2498 1 181 GLY H 1 182 GLU H 3.500 . 5.000 3.578 2.000 4.555 . 0 0 "[ . 1 . 2]" 1
2499 1 181 GLY HA2 1 182 GLU H 3.500 . 5.000 2.667 2.151 3.488 . 0 0 "[ . 1 . 2]" 1
2500 1 181 GLY HA3 1 182 GLU H 3.500 . 5.000 2.968 2.163 3.565 . 0 0 "[ . 1 . 2]" 1
2501 1 181 GLY HA3 1 182 GLU HA 3.500 . 5.000 4.541 4.326 4.817 . 0 0 "[ . 1 . 2]" 1
2502 1 181 GLY HA2 1 182 GLU HA 3.500 . 5.000 4.442 4.289 4.763 . 0 0 "[ . 1 . 2]" 1
2503 1 182 GLU H 1 182 GLU HA 3.000 . 3.500 2.888 2.786 2.945 . 0 0 "[ . 1 . 2]" 1
2504 1 182 GLU H 1 182 GLU HB2 3.000 . 3.500 2.691 2.184 3.561 0.061 14 0 "[ . 1 . 2]" 1
2505 1 182 GLU H 1 182 GLU HB3 3.000 . 3.500 3.059 2.452 3.504 0.004 13 0 "[ . 1 . 2]" 1
2506 1 182 GLU H 1 182 GLU QG 3.500 . 4.500 3.603 1.942 4.310 . 0 0 "[ . 1 . 2]" 1
2507 1 182 GLU H 1 183 GLY H 3.500 . 5.000 4.358 3.106 4.632 . 0 0 "[ . 1 . 2]" 1
2508 1 182 GLU HA 1 183 GLY H 2.500 . 2.700 2.376 2.144 2.699 . 0 0 "[ . 1 . 2]" 1
2509 1 182 GLU HB2 1 183 GLY H 3.500 . 5.000 3.899 2.000 4.613 . 0 0 "[ . 1 . 2]" 1
2510 1 182 GLU HB3 1 183 GLY H 3.500 . 5.000 3.390 2.117 4.314 . 0 0 "[ . 1 . 2]" 1
2511 1 182 GLU QG 1 183 GLY H 3.500 . 5.000 3.093 1.942 4.298 . 0 0 "[ . 1 . 2]" 1
2512 1 183 GLY H 1 184 GLU H 3.500 . 5.000 2.509 2.001 3.448 . 0 0 "[ . 1 . 2]" 1
2513 1 183 GLY QA 1 184 GLU H 3.500 . 4.500 2.602 2.179 2.822 . 0 0 "[ . 1 . 2]" 1
2514 1 183 GLY QA 1 185 THR H 4.000 . 5.500 4.238 3.474 4.902 . 0 0 "[ . 1 . 2]" 1
2515 1 183 GLY H 1 185 THR H 3.500 . 4.500 3.825 2.788 4.501 0.001 5 0 "[ . 1 . 2]" 1
2516 1 183 GLY H 1 186 ALA H 4.000 . 6.000 4.611 2.519 6.001 0.001 9 0 "[ . 1 . 2]" 1
2517 1 184 GLU H 1 184 GLU HA 3.000 . 3.500 2.915 2.821 2.944 . 0 0 "[ . 1 . 2]" 1
2518 1 184 GLU H 1 184 GLU HB3 3.000 . 3.500 2.927 2.536 3.502 0.002 8 0 "[ . 1 . 2]" 1
2519 1 184 GLU H 1 184 GLU HB2 3.000 . 3.500 2.536 2.169 3.333 . 0 0 "[ . 1 . 2]" 1
2520 1 184 GLU H 1 184 GLU QG 3.500 . 4.500 3.959 3.121 4.376 . 0 0 "[ . 1 . 2]" 1
2521 1 184 GLU H 1 185 THR H 4.000 . 6.000 2.332 1.999 2.774 . 0 0 "[ . 1 . 2]" 1
2522 1 184 GLU H 1 185 THR MG 4.000 . 6.000 5.134 4.088 5.956 . 0 0 "[ . 1 . 2]" 1
2523 1 184 GLU HB2 1 185 THR H 3.500 . 5.000 3.455 2.486 3.926 . 0 0 "[ . 1 . 2]" 1
2524 1 184 GLU HB3 1 185 THR H 3.000 . 3.500 2.612 1.999 3.499 . 0 0 "[ . 1 . 2]" 1
2525 1 184 GLU QG 1 185 THR H 4.000 . 5.500 4.072 2.922 4.644 . 0 0 "[ . 1 . 2]" 1
2526 1 184 GLU H 1 185 THR HA 3.500 . 5.000 4.852 4.477 5.001 0.001 1 0 "[ . 1 . 2]" 1
2527 1 184 GLU HB2 1 186 ALA H 4.000 . 6.000 5.297 3.426 6.002 0.002 6 0 "[ . 1 . 2]" 1
2528 1 184 GLU QG 1 186 ALA H 4.500 . 6.500 5.380 3.703 6.206 . 0 0 "[ . 1 . 2]" 1
2529 1 185 THR H 1 185 THR HA 3.000 . 3.500 2.853 2.272 2.945 . 0 0 "[ . 1 . 2]" 1
2530 1 185 THR H 1 185 THR HB 3.000 . 3.500 3.141 2.551 3.518 0.018 19 0 "[ . 1 . 2]" 1
2531 1 185 THR H 1 185 THR MG 4.000 . 5.500 3.368 2.063 4.024 . 0 0 "[ . 1 . 2]" 1
2532 1 185 THR H 1 186 ALA MB 4.000 . 5.500 4.124 3.629 5.007 . 0 0 "[ . 1 . 2]" 1
2533 1 185 THR HA 1 186 ALA H 3.500 . 5.000 3.190 2.394 3.570 . 0 0 "[ . 1 . 2]" 1
2534 1 185 THR HB 1 186 ALA H 3.500 . 5.000 3.663 2.035 4.606 . 0 0 "[ . 1 . 2]" 1
2535 1 185 THR H 1 186 ALA H 3.500 . 5.000 2.549 2.015 3.898 . 0 0 "[ . 1 . 2]" 1
2536 1 186 ALA H 1 186 ALA HA 3.000 . 3.500 2.724 2.275 2.936 . 0 0 "[ . 1 . 2]" 1
2537 1 186 ALA H 1 186 ALA MB 3.000 . 3.500 2.409 2.085 2.901 . 0 0 "[ . 1 . 2]" 1
2538 1 186 ALA HA 1 187 LEU H 3.500 . 5.000 2.405 2.141 3.567 . 0 0 "[ . 1 . 2]" 1
2539 1 186 ALA MB 1 187 LEU H 4.000 . 5.500 2.931 2.020 3.668 . 0 0 "[ . 1 . 2]" 1
2540 1 186 ALA MB 1 188 GLU H 4.000 . 5.500 4.167 2.422 5.486 . 0 0 "[ . 1 . 2]" 1
2541 1 186 ALA H 1 187 LEU H 4.000 . 6.000 4.120 2.680 4.636 . 0 0 "[ . 1 . 2]" 1
2542 1 187 LEU H 1 187 LEU HA 3.000 . 3.500 2.801 2.274 2.947 . 0 0 "[ . 1 . 2]" 1
2543 1 187 LEU H 1 187 LEU QB 3.000 . 3.500 2.604 2.195 3.211 . 0 0 "[ . 1 . 2]" 1
2544 1 187 LEU H 1 187 LEU MD1 3.500 . 5.000 3.750 2.376 4.966 . 0 0 "[ . 1 . 2]" 1
2545 1 187 LEU H 1 187 LEU MD2 3.500 . 5.000 4.098 2.614 4.981 . 0 0 "[ . 1 . 2]" 1
2546 1 187 LEU H 1 188 GLU H 3.500 . 5.000 2.980 1.982 4.421 . 0 0 "[ . 1 . 2]" 1
2547 1 187 LEU HA 1 188 GLU H 3.000 . 3.500 2.921 2.139 3.550 0.050 8 0 "[ . 1 . 2]" 1
2548 1 187 LEU HB2 1 188 GLU H 3.500 . 5.000 3.759 2.789 4.641 . 0 0 "[ . 1 . 2]" 1
2549 1 187 LEU HG 1 188 GLU H 4.000 . 6.000 4.517 2.204 5.999 . 0 0 "[ . 1 . 2]" 1
2550 1 187 LEU MD1 1 188 GLU H 4.000 . 5.500 4.436 2.669 5.500 . 0 0 "[ . 1 . 2]" 1
2551 1 187 LEU MD2 1 188 GLU H 4.000 . 5.500 4.365 2.767 5.345 . 0 0 "[ . 1 . 2]" 1
2552 1 187 LEU H 1 188 GLU HB2 4.000 . 6.000 4.713 4.024 5.879 . 0 0 "[ . 1 . 2]" 1
2553 1 187 LEU H 1 188 GLU HB3 4.000 . 6.000 5.234 4.512 6.002 0.002 17 0 "[ . 1 . 2]" 1
2554 1 188 GLU H 1 188 GLU HA 3.000 . 3.500 2.856 2.273 2.941 . 0 0 "[ . 1 . 2]" 1
2555 1 188 GLU H 1 188 GLU HB2 3.000 . 3.500 2.974 2.218 3.551 0.051 5 0 "[ . 1 . 2]" 1
2556 1 188 GLU H 1 188 GLU HB3 3.000 . 3.500 3.079 2.595 3.512 0.012 12 0 "[ . 1 . 2]" 1
2557 1 188 GLU H 1 188 GLU QG 3.500 . 4.500 4.018 2.049 4.317 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 82
_Distance_constraint_stats_list.Viol_count 416
_Distance_constraint_stats_list.Viol_total 67.121
_Distance_constraint_stats_list.Viol_max 0.053
_Distance_constraint_stats_list.Viol_rms 0.0063
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0081
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 13 TRP 0.002 0.001 18 0 "[ . 1 . 2]"
1 15 ARG 0.019 0.004 14 0 "[ . 1 . 2]"
1 16 VAL 0.002 0.001 18 0 "[ . 1 . 2]"
1 17 THR 0.767 0.053 14 0 "[ . 1 . 2]"
1 19 PHE 0.550 0.052 19 0 "[ . 1 . 2]"
1 22 GLY 0.550 0.052 19 0 "[ . 1 . 2]"
1 23 TRP 0.337 0.037 19 0 "[ . 1 . 2]"
1 24 GLY 0.767 0.053 14 0 "[ . 1 . 2]"
1 25 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 TRP 0.019 0.004 14 0 "[ . 1 . 2]"
1 27 VAL 0.257 0.023 2 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PRO 0.121 0.013 5 0 "[ . 1 . 2]"
1 30 THR 0.023 0.011 18 0 "[ . 1 . 2]"
1 31 VAL 0.257 0.023 2 0 "[ . 1 . 2]"
1 32 PHE 0.023 0.006 17 0 "[ . 1 . 2]"
1 33 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 THR 0.022 0.005 9 0 "[ . 1 . 2]"
1 36 THR 0.040 0.008 7 0 "[ . 1 . 2]"
1 39 VAL 0.040 0.008 7 0 "[ . 1 . 2]"
1 55 ALA 0.019 0.007 17 0 "[ . 1 . 2]"
1 57 HIS 0.004 0.001 4 0 "[ . 1 . 2]"
1 59 ALA 0.014 0.005 8 0 "[ . 1 . 2]"
1 62 PHE 0.014 0.005 8 0 "[ . 1 . 2]"
1 63 THR 0.022 0.005 9 0 "[ . 1 . 2]"
1 64 GLN 0.004 0.001 4 0 "[ . 1 . 2]"
1 65 PHE 0.023 0.006 17 0 "[ . 1 . 2]"
1 66 ARG 0.019 0.007 17 0 "[ . 1 . 2]"
1 67 PHE 0.023 0.011 18 0 "[ . 1 . 2]"
1 71 MET 0.015 0.006 6 0 "[ . 1 . 2]"
1 72 ARG 0.106 0.013 5 0 "[ . 1 . 2]"
1 81 GLU 0.005 0.002 1 0 "[ . 1 . 2]"
1 88 THR 0.457 0.034 8 0 "[ . 1 . 2]"
1 90 CYS 0.046 0.009 18 0 "[ . 1 . 2]"
1 91 SER 0.231 0.017 3 0 "[ . 1 . 2]"
1 92 VAL 0.035 0.005 6 0 "[ . 1 . 2]"
1 93 LEU 0.007 0.006 11 0 "[ . 1 . 2]"
1 94 ILE 0.068 0.007 8 0 "[ . 1 . 2]"
1 102 LEU 0.068 0.007 8 0 "[ . 1 . 2]"
1 104 LEU 0.035 0.005 6 0 "[ . 1 . 2]"
1 106 VAL 0.046 0.009 18 0 "[ . 1 . 2]"
1 107 ARG 0.007 0.003 3 0 "[ . 1 . 2]"
1 108 MET 0.457 0.034 8 0 "[ . 1 . 2]"
1 109 GLY 0.009 0.002 16 0 "[ . 1 . 2]"
1 124 GLN 0.028 0.003 9 0 "[ . 1 . 2]"
1 125 SER 0.009 0.002 16 0 "[ . 1 . 2]"
1 126 GLY 0.015 0.008 13 0 "[ . 1 . 2]"
1 127 MET 0.007 0.003 3 0 "[ . 1 . 2]"
1 146 CYS 0.337 0.037 19 0 "[ . 1 . 2]"
1 147 GLY 0.086 0.020 3 0 "[ . 1 . 2]"
1 148 ALA 0.025 0.013 1 0 "[ . 1 . 2]"
1 149 PRO 0.007 0.006 11 0 "[ . 1 . 2]"
1 150 TYR 0.054 0.014 11 0 "[ . 1 . 2]"
1 151 VAL 0.231 0.017 3 0 "[ . 1 . 2]"
1 160 VAL 0.005 0.002 1 0 "[ . 1 . 2]"
1 161 CYS 0.033 0.005 7 0 "[ . 1 . 2]"
1 162 GLY 0.020 0.014 11 0 "[ . 1 . 2]"
1 163 VAL 0.042 0.007 9 0 "[ . 1 . 2]"
1 164 HIS 0.111 0.020 3 0 "[ . 1 . 2]"
1 165 ALA 0.034 0.006 11 0 "[ . 1 . 2]"
1 166 ALA 0.010 0.006 12 0 "[ . 1 . 2]"
1 174 VAL 0.015 0.008 13 0 "[ . 1 . 2]"
1 175 VAL 0.044 0.006 11 0 "[ . 1 . 2]"
1 176 CYS 0.028 0.003 9 0 "[ . 1 . 2]"
1 177 ALA 0.042 0.007 9 0 "[ . 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 13 TRP O 1 16 VAL H 2.300 . 2.800 2.395 2.045 2.801 0.001 1 0 "[ . 1 . 2]" 2
2 1 13 TRP O 1 16 VAL N 3.000 2.700 3.600 3.282 2.854 3.601 0.001 18 0 "[ . 1 . 2]" 2
3 1 17 THR H 1 24 GLY O 2.300 . 2.800 2.323 2.011 2.543 . 0 0 "[ . 1 . 2]" 2
4 1 17 THR N 1 24 GLY O 3.000 2.700 3.600 3.249 2.954 3.454 . 0 0 "[ . 1 . 2]" 2
5 1 19 PHE H 1 22 GLY O 2.300 . 2.800 1.979 1.948 1.997 0.052 19 0 "[ . 1 . 2]" 2
6 1 19 PHE N 1 22 GLY O 3.000 2.700 3.600 2.723 2.679 2.877 0.021 2 0 "[ . 1 . 2]" 2
7 1 19 PHE O 1 22 GLY H 2.300 . 2.800 2.113 1.988 2.450 0.012 7 0 "[ . 1 . 2]" 2
8 1 19 PHE O 1 22 GLY N 3.000 2.700 3.600 2.954 2.742 3.260 . 0 0 "[ . 1 . 2]" 2
9 1 23 TRP H 1 146 CYS O 2.300 . 2.800 2.014 1.964 2.288 0.036 15 0 "[ . 1 . 2]" 2
10 1 23 TRP N 1 146 CYS O 3.000 2.700 3.600 2.811 2.663 3.101 0.037 19 0 "[ . 1 . 2]" 2
11 1 17 THR O 1 24 GLY H 2.300 . 2.800 1.962 1.947 1.975 0.053 14 0 "[ . 1 . 2]" 2
12 1 17 THR O 1 24 GLY N 3.000 2.700 3.600 2.873 2.764 2.931 . 0 0 "[ . 1 . 2]" 2
13 1 15 ARG O 1 26 TRP H 2.300 . 2.800 2.490 2.016 2.804 0.004 14 0 "[ . 1 . 2]" 2
14 1 15 ARG O 1 26 TRP N 3.000 2.700 3.600 3.167 2.697 3.603 0.003 3 0 "[ . 1 . 2]" 2
15 1 27 VAL H 1 31 VAL O 2.300 . 2.800 2.813 2.802 2.823 0.023 2 0 "[ . 1 . 2]" 2
16 1 27 VAL N 1 31 VAL O 3.000 2.700 3.600 3.393 3.188 3.491 . 0 0 "[ . 1 . 2]" 2
17 1 28 SER H 1 31 VAL O 2.300 . 2.800 2.192 2.056 2.336 . 0 0 "[ . 1 . 2]" 2
18 1 28 SER N 1 31 VAL O 3.000 2.700 3.600 3.026 2.907 3.198 . 0 0 "[ . 1 . 2]" 2
19 1 25 PHE O 1 33 ILE H 2.300 . 2.800 2.294 2.095 2.763 . 0 0 "[ . 1 . 2]" 2
20 1 25 PHE O 1 33 ILE N 3.000 2.700 3.600 3.199 3.058 3.586 . 0 0 "[ . 1 . 2]" 2
21 1 36 THR O 1 39 VAL H 2.300 . 2.800 2.716 2.310 2.808 0.008 7 0 "[ . 1 . 2]" 2
22 1 36 THR O 1 39 VAL N 3.000 2.700 3.600 3.487 3.223 3.567 . 0 0 "[ . 1 . 2]" 2
23 1 55 ALA H 1 66 ARG O 2.300 . 2.800 2.092 1.993 2.252 0.007 17 0 "[ . 1 . 2]" 2
24 1 55 ALA N 1 66 ARG O 3.000 2.700 3.600 2.837 2.723 2.952 . 0 0 "[ . 1 . 2]" 2
25 1 59 ALA H 1 62 PHE O 2.300 . 2.800 2.726 2.479 2.805 0.005 8 0 "[ . 1 . 2]" 2
26 1 59 ALA N 1 62 PHE O 3.000 2.700 3.600 3.185 2.779 3.589 . 0 0 "[ . 1 . 2]" 2
27 1 34 THR O 1 63 THR H 2.300 . 2.800 2.059 1.995 2.221 0.005 9 0 "[ . 1 . 2]" 2
28 1 34 THR O 1 63 THR N 3.000 2.700 3.600 2.929 2.793 3.138 . 0 0 "[ . 1 . 2]" 2
29 1 57 HIS O 1 64 GLN H 2.300 . 2.800 2.312 1.999 2.715 0.001 9 0 "[ . 1 . 2]" 2
30 1 57 HIS O 1 64 GLN N 3.000 2.700 3.600 3.255 2.865 3.601 0.001 4 0 "[ . 1 . 2]" 2
31 1 32 PHE O 1 65 PHE H 2.300 . 2.800 2.020 1.994 2.218 0.006 17 0 "[ . 1 . 2]" 2
32 1 32 PHE O 1 65 PHE N 3.000 2.700 3.600 2.922 2.847 3.158 . 0 0 "[ . 1 . 2]" 2
33 1 55 ALA O 1 66 ARG H 2.300 . 2.800 2.133 1.997 2.596 0.003 13 0 "[ . 1 . 2]" 2
34 1 55 ALA O 1 66 ARG N 3.000 2.700 3.600 3.062 2.896 3.468 . 0 0 "[ . 1 . 2]" 2
35 1 30 THR O 1 67 PHE H 2.300 . 2.800 2.292 1.989 2.722 0.011 18 0 "[ . 1 . 2]" 2
36 1 30 THR O 1 67 PHE N 3.000 2.700 3.600 3.093 2.697 3.559 0.003 17 0 "[ . 1 . 2]" 2
37 1 29 PRO O 1 71 MET H 2.300 . 2.800 2.353 1.995 2.806 0.006 6 0 "[ . 1 . 2]" 2
38 1 29 PRO O 1 71 MET N 3.000 2.700 3.600 3.017 2.710 3.464 . 0 0 "[ . 1 . 2]" 2
39 1 29 PRO O 1 72 ARG H 2.300 . 2.800 2.612 2.186 2.813 0.013 5 0 "[ . 1 . 2]" 2
40 1 29 PRO O 1 72 ARG N 3.000 2.700 3.600 3.549 3.156 3.612 0.012 11 0 "[ . 1 . 2]" 2
41 1 81 GLU H 1 160 VAL O 2.300 . 2.800 2.370 1.998 2.794 0.002 1 0 "[ . 1 . 2]" 2
42 1 81 GLU N 1 160 VAL O 3.000 2.700 3.600 3.275 2.905 3.601 0.001 13 0 "[ . 1 . 2]" 2
43 1 90 CYS H 1 106 VAL O 2.300 . 2.800 2.008 1.991 2.063 0.009 18 0 "[ . 1 . 2]" 2
44 1 90 CYS N 1 106 VAL O 3.000 2.700 3.600 2.906 2.764 2.978 . 0 0 "[ . 1 . 2]" 2
45 1 91 SER H 1 151 VAL O 2.300 . 2.800 1.991 1.983 1.998 0.017 3 0 "[ . 1 . 2]" 2
46 1 91 SER N 1 151 VAL O 3.000 2.700 3.600 2.821 2.696 2.938 0.004 5 0 "[ . 1 . 2]" 2
47 1 92 VAL H 1 104 LEU O 2.300 . 2.800 2.253 1.998 2.751 0.002 13 0 "[ . 1 . 2]" 2
48 1 92 VAL N 1 104 LEU O 3.000 2.700 3.600 3.073 2.791 3.482 . 0 0 "[ . 1 . 2]" 2
49 1 93 LEU H 1 149 PRO O 2.300 . 2.800 2.581 2.388 2.806 0.006 11 0 "[ . 1 . 2]" 2
50 1 93 LEU N 1 149 PRO O 3.000 2.700 3.600 3.370 3.120 3.600 . 0 0 "[ . 1 . 2]" 2
51 1 94 ILE H 1 102 LEU O 2.300 . 2.800 2.766 2.692 2.807 0.007 8 0 "[ . 1 . 2]" 2
52 1 94 ILE N 1 102 LEU O 3.000 2.700 3.600 3.594 3.517 3.607 0.007 16 0 "[ . 1 . 2]" 2
53 1 92 VAL O 1 104 LEU H 2.300 . 2.800 2.759 2.469 2.805 0.005 6 0 "[ . 1 . 2]" 2
54 1 92 VAL O 1 104 LEU N 3.000 2.700 3.600 3.505 3.246 3.594 . 0 0 "[ . 1 . 2]" 2
55 1 90 CYS O 1 106 VAL H 2.300 . 2.800 2.327 1.998 2.712 0.002 1 0 "[ . 1 . 2]" 2
56 1 90 CYS O 1 106 VAL N 3.000 2.700 3.600 3.254 2.927 3.601 0.001 13 0 "[ . 1 . 2]" 2
57 1 88 THR O 1 108 MET H 2.300 . 2.800 1.978 1.966 1.986 0.034 8 0 "[ . 1 . 2]" 2
58 1 88 THR O 1 108 MET N 3.000 2.700 3.600 2.875 2.692 2.960 0.008 12 0 "[ . 1 . 2]" 2
59 1 109 GLY H 1 125 SER O 2.300 . 2.800 2.342 1.999 2.801 0.001 7 0 "[ . 1 . 2]" 2
60 1 109 GLY N 1 125 SER O 3.000 2.700 3.600 2.984 2.698 3.600 0.002 16 0 "[ . 1 . 2]" 2
61 1 124 GLN H 1 176 CYS O 2.300 . 2.800 2.703 2.629 2.801 0.001 18 0 "[ . 1 . 2]" 2
62 1 124 GLN N 1 176 CYS O 3.000 2.700 3.600 3.601 3.600 3.603 0.003 9 0 "[ . 1 . 2]" 2
63 1 126 GLY H 1 174 VAL O 2.300 . 2.800 2.371 1.998 2.801 0.002 9 0 "[ . 1 . 2]" 2
64 1 126 GLY N 1 174 VAL O 3.000 2.700 3.600 2.966 2.692 3.413 0.008 13 0 "[ . 1 . 2]" 2
65 1 107 ARG O 1 127 MET H 2.300 . 2.800 2.170 1.997 2.717 0.003 3 0 "[ . 1 . 2]" 2
66 1 107 ARG O 1 127 MET N 3.000 2.700 3.600 2.948 2.744 3.385 . 0 0 "[ . 1 . 2]" 2
67 1 147 GLY H 1 164 HIS O 2.300 . 2.800 2.539 1.997 2.817 0.017 16 0 "[ . 1 . 2]" 2
68 1 147 GLY N 1 164 HIS O 3.000 2.700 3.600 2.961 2.680 3.373 0.020 3 0 "[ . 1 . 2]" 2
69 1 150 TYR H 1 162 GLY O 2.300 . 2.800 2.137 1.986 2.576 0.014 11 0 "[ . 1 . 2]" 2
70 1 150 TYR N 1 162 GLY O 3.000 2.700 3.600 3.051 2.844 3.479 . 0 0 "[ . 1 . 2]" 2
71 1 91 SER O 1 151 VAL H 2.300 . 2.800 2.157 1.994 2.691 0.006 4 0 "[ . 1 . 2]" 2
72 1 91 SER O 1 151 VAL N 3.000 2.700 3.600 3.027 2.744 3.492 . 0 0 "[ . 1 . 2]" 2
73 1 150 TYR O 1 161 CYS H 2.300 . 2.800 2.392 1.995 2.802 0.005 9 0 "[ . 1 . 2]" 2
74 1 150 TYR O 1 161 CYS N 3.000 2.700 3.600 3.189 2.792 3.605 0.005 7 0 "[ . 1 . 2]" 2
75 1 163 VAL H 1 177 ALA O 2.300 . 2.800 2.738 2.663 2.803 0.003 10 0 "[ . 1 . 2]" 2
76 1 163 VAL N 1 177 ALA O 3.000 2.700 3.600 3.571 3.292 3.607 0.007 9 0 "[ . 1 . 2]" 2
77 1 148 ALA O 1 164 HIS H 2.300 . 2.800 2.290 1.987 2.608 0.013 1 0 "[ . 1 . 2]" 2
78 1 148 ALA O 1 164 HIS N 3.000 2.700 3.600 3.028 2.692 3.361 0.008 4 0 "[ . 1 . 2]" 2
79 1 165 ALA H 1 175 VAL O 2.300 . 2.800 2.677 2.115 2.806 0.006 11 0 "[ . 1 . 2]" 2
80 1 165 ALA N 1 175 VAL O 3.000 2.700 3.600 3.459 2.997 3.604 0.004 1 0 "[ . 1 . 2]" 2
81 1 166 ALA O 1 175 VAL H 2.300 . 2.800 2.217 1.994 2.768 0.006 12 0 "[ . 1 . 2]" 2
82 1 166 ALA O 1 175 VAL N 3.000 2.700 3.600 3.026 2.700 3.518 . 0 0 "[ . 1 . 2]" 2
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