NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
653379 | 6ux5 | 30682 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 12.383 -30.313 7.751 2 H2 SER 1 HT2 SER 1 12.534 -29.480 9.224 3 H3 SER 1 HT3 SER 1 12.931 -28.704 7.765 4 HA SER 1 HA SER 1 10.598 -28.992 7.060 5 HB2 SER 1 HB2 SER 1 10.186 -30.826 8.874 6 HB3 SER 1 HB1 SER 1 10.074 -29.455 10.049 7 HG SER 1 HG SER 1 8.192 -29.027 9.320 8 H SER 2 HN SER 2 11.302 -26.765 6.647 9 HA SER 2 HA SER 2 10.149 -24.992 8.584 10 HB2 SER 2 HB2 SER 2 12.140 -23.519 8.840 11 HB3 SER 2 HB1 SER 2 12.558 -25.176 9.436 12 HG SER 2 HG SER 2 13.274 -23.865 7.047 13 H THR 3 HN THR 3 10.120 -22.686 7.628 14 HA THR 3 HA THR 3 9.504 -22.982 4.870 15 HB THR 3 HB THR 3 9.069 -20.521 4.959 16 HG1 THR 3 HG1 THR 3 10.790 -20.421 6.704 17 HG21 THR 3 HG21 THR 3 7.374 -22.307 5.690 18 HG22 THR 3 HG22 THR 3 7.122 -20.670 6.406 19 HG23 THR 3 HG23 THR 3 7.884 -21.978 7.389 20 HA PRO 4 HA PRO 4 13.375 -21.996 3.148 21 HB2 PRO 4 HB2 PRO 4 12.580 -20.428 0.979 22 HB3 PRO 4 HB1 PRO 4 12.498 -22.240 1.016 23 HG2 PRO 4 HG2 PRO 4 10.302 -20.187 1.527 24 HG3 PRO 4 HG1 PRO 4 10.221 -21.769 0.647 25 HD2 PRO 4 HD2 PRO 4 9.294 -21.460 3.215 26 HD3 PRO 4 HD1 PRO 4 10.031 -23.008 2.629 27 H ASP 5 HN ASP 5 11.296 -19.055 2.759 28 HA ASP 5 HA ASP 5 12.967 -17.614 4.514 29 HB2 ASP 5 HB2 ASP 5 14.200 -17.691 2.175 30 HB3 ASP 5 HB1 ASP 5 12.892 -16.576 1.667 31 H GLY 6 HN GLY 6 12.083 -15.235 2.548 32 HA2 GLY 6 HA2 GLY 6 9.271 -15.332 2.670 33 HA3 GLY 6 HA1 GLY 6 10.008 -14.318 3.990 34 H THR 7 HN THR 7 12.403 -13.630 2.361 35 HA THR 7 HA THR 7 11.046 -11.625 0.693 36 HB THR 7 HB THR 7 13.916 -11.798 1.748 37 HG1 THR 7 HG1 THR 7 12.725 -9.538 2.292 38 HG21 THR 7 HG21 THR 7 14.113 -10.842 -0.445 39 HG22 THR 7 HG22 THR 7 14.005 -9.419 0.660 40 HG23 THR 7 HG23 THR 7 12.560 -9.938 -0.288 41 H TRP 8 HN TRP 8 13.322 -14.315 0.780 42 HA TRP 8 HA TRP 8 14.298 -14.042 -1.798 43 HB2 TRP 8 HB2 TRP 8 15.514 -15.709 -0.759 44 HB3 TRP 8 HB1 TRP 8 14.156 -16.165 0.284 45 HD1 TRP 8 HD1 TRP 8 15.869 -17.195 -2.985 46 HE1 TRP 8 HE1 TRP 8 14.725 -19.296 -3.854 47 HE3 TRP 8 HE3 TRP 8 11.892 -17.320 0.165 48 HZ2 TRP 8 HZ2 TRP 8 12.423 -20.799 -3.262 49 HZ3 TRP 8 HZ3 TRP 8 10.252 -19.119 -0.048 50 HH2 TRP 8 HH2 TRP 8 10.519 -20.844 -1.753 51 H VAL 9 HN VAL 9 11.287 -15.473 -0.448 52 HA VAL 9 HA VAL 9 10.541 -16.708 -2.891 53 HB VAL 9 HB VAL 9 9.572 -17.345 -0.657 54 HG11 VAL 9 HG11 VAL 9 9.385 -14.690 -0.184 55 HG12 VAL 9 HG12 VAL 9 8.241 -15.857 0.570 56 HG13 VAL 9 HG13 VAL 9 7.745 -14.921 -0.890 57 HG21 VAL 9 HG21 VAL 9 8.523 -17.940 -2.844 58 HG22 VAL 9 HG22 VAL 9 7.606 -16.374 -2.822 59 HG23 VAL 9 HG23 VAL 9 7.284 -17.635 -1.567 60 H LYS 10 HN LYS 10 10.354 -13.421 -1.583 61 HA LYS 10 HA LYS 10 8.219 -12.575 -3.205 62 HB2 LYS 10 HB2 LYS 10 10.636 -11.034 -2.087 63 HB3 LYS 10 HB1 LYS 10 9.328 -10.244 -3.032 64 HG2 LYS 10 HG2 LYS 10 7.650 -10.843 -1.357 65 HG3 LYS 10 HG1 LYS 10 8.835 -11.852 -0.460 66 HD2 LYS 10 HD2 LYS 10 8.588 -9.738 0.720 67 HD3 LYS 10 HD1 LYS 10 10.220 -9.772 -0.032 68 HE2 LYS 10 HE2 LYS 10 9.432 -8.304 -1.886 69 HE3 LYS 10 HE1 LYS 10 7.748 -8.325 -1.213 70 HZ1 LYS 10 HZ1 LYS 10 9.911 -6.677 -0.534 71 HZ2 LYS 10 HZ2 LYS 10 9.511 -7.603 0.832 72 HZ3 LYS 10 HZ3 LYS 10 8.322 -6.664 0.065 73 H CYS 11 HN CYS 11 11.590 -13.393 -3.807 74 HA CYS 11 HA CYS 11 11.739 -11.945 -6.252 75 HB2 CYS 11 HB2 CYS 11 13.921 -12.433 -5.492 76 HB3 CYS 11 HB1 CYS 11 13.430 -14.018 -4.853 77 H ARG 12 HN ARG 12 11.001 -15.288 -5.165 78 HA ARG 12 HA ARG 12 10.783 -16.420 -7.658 79 HB2 ARG 12 HB2 ARG 12 9.080 -16.924 -5.167 80 HB3 ARG 12 HB1 ARG 12 9.158 -17.989 -6.582 81 HG2 ARG 12 HG2 ARG 12 11.701 -17.262 -5.139 82 HG3 ARG 12 HG1 ARG 12 10.600 -18.500 -4.451 83 HD2 ARG 12 HD2 ARG 12 10.716 -19.768 -6.654 84 HD3 ARG 12 HD1 ARG 12 11.955 -18.560 -7.214 85 HE ARG 12 HE ARG 12 12.967 -19.380 -4.789 86 HH11 ARG 12 HH11 ARG 12 11.668 -21.071 -7.643 87 HH12 ARG 12 HH12 ARG 12 12.696 -22.456 -7.486 88 HH21 ARG 12 HH21 ARG 12 14.372 -21.278 -4.576 89 HH22 ARG 12 HH22 ARG 12 14.257 -22.574 -5.716 90 H HIS 13 HN HIS 13 8.456 -14.622 -5.617 91 HA HIS 13 HA HIS 13 6.346 -14.922 -7.512 92 HB2 HIS 13 HB2 HIS 13 5.710 -14.401 -5.215 93 HB3 HIS 13 HB1 HIS 13 6.791 -12.964 -5.193 94 HD2 HIS 13 HD2 HIS 13 5.560 -10.610 -5.902 95 HE1 HIS 13 HE1 HIS 13 2.042 -12.339 -7.492 96 HE2 HIS 13 HE2 HIS 13 3.224 -10.175 -6.864 97 H ASP 14 HN ASP 14 8.885 -12.441 -6.882 98 HA ASP 14 HA ASP 14 7.827 -10.482 -8.568 99 HB2 ASP 14 HB2 ASP 14 9.910 -10.290 -6.993 100 HB3 ASP 14 HB1 ASP 14 10.829 -11.037 -8.340 101 H CYS 15 HN CYS 15 10.240 -13.131 -9.300 102 HA CYS 15 HA CYS 15 10.266 -12.387 -12.057 103 HB2 CYS 15 HB2 CYS 15 11.067 -15.032 -10.690 104 HB3 CYS 15 HB1 CYS 15 11.335 -14.670 -12.424 105 H PHE 16 HN PHE 16 8.234 -14.368 -9.976 106 HA PHE 16 HA PHE 16 7.178 -15.991 -11.994 107 HB2 PHE 16 HB2 PHE 16 6.730 -16.375 -9.567 108 HB3 PHE 16 HB1 PHE 16 5.748 -14.876 -9.536 109 HD1 PHE 16 HD1 PHE 16 6.023 -17.946 -11.658 110 HD2 PHE 16 HD2 PHE 16 3.541 -15.205 -9.557 111 HE1 PHE 16 HE1 PHE 16 4.042 -19.241 -12.284 112 HE2 PHE 16 HE2 PHE 16 1.568 -16.512 -10.192 113 HZ PHE 16 HZ PHE 16 1.818 -18.529 -11.554 114 H THR 17 HN THR 17 6.155 -12.775 -10.671 115 HA THR 17 HA THR 17 3.927 -12.594 -12.392 116 HB THR 17 HB THR 17 4.063 -10.130 -12.021 117 HG1 THR 17 HG1 THR 17 6.547 -10.913 -10.943 118 HG21 THR 17 HG21 THR 17 4.695 -11.110 -9.290 119 HG22 THR 17 HG22 THR 17 3.540 -12.172 -10.181 120 HG23 THR 17 HG23 THR 17 3.163 -10.423 -9.945 121 H LYS 18 HN LYS 18 7.413 -11.727 -12.752 122 HA LYS 18 HA LYS 18 7.062 -10.432 -15.219 123 HB2 LYS 18 HB2 LYS 18 9.428 -11.838 -13.921 124 HB3 LYS 18 HB1 LYS 18 9.534 -11.267 -15.622 125 HG2 LYS 18 HG2 LYS 18 10.355 -9.722 -13.628 126 HG3 LYS 18 HG1 LYS 18 9.493 -9.017 -15.037 127 HD2 LYS 18 HD2 LYS 18 7.480 -8.728 -13.825 128 HD3 LYS 18 HD1 LYS 18 7.938 -9.931 -12.579 129 HE2 LYS 18 HE2 LYS 18 9.647 -8.393 -11.668 130 HE3 LYS 18 HE1 LYS 18 9.287 -7.190 -12.971 131 HZ1 LYS 18 HZ1 LYS 18 7.500 -6.510 -11.902 132 HZ2 LYS 18 HZ2 LYS 18 8.125 -7.310 -10.539 133 HZ3 LYS 18 HZ3 LYS 18 6.965 -8.076 -11.519 134 H TYR 19 HN TYR 19 7.245 -13.813 -14.189 135 HA TYR 19 HA TYR 19 7.722 -14.772 -16.829 136 HB2 TYR 19 HB2 TYR 19 8.330 -16.362 -15.213 137 HB3 TYR 19 HB1 TYR 19 6.911 -16.007 -14.184 138 HD1 TYR 19 HD1 TYR 19 7.907 -17.496 -17.439 139 HD2 TYR 19 HD2 TYR 19 5.071 -17.308 -14.293 140 HE1 TYR 19 HE1 TYR 19 6.733 -19.414 -18.398 141 HE2 TYR 19 HE2 TYR 19 3.896 -19.224 -15.251 142 HH TYR 19 HH TYR 19 3.627 -20.437 -17.244 143 H LYS 20 HN LYS 20 4.862 -14.519 -14.626 144 HA LYS 20 HA LYS 20 3.055 -15.596 -16.437 145 HB2 LYS 20 HB2 LYS 20 2.577 -13.316 -14.445 146 HB3 LYS 20 HB1 LYS 20 1.311 -14.326 -15.210 147 HG2 LYS 20 HG2 LYS 20 3.525 -15.390 -13.408 148 HG3 LYS 20 HG1 LYS 20 1.872 -15.001 -12.873 149 HD2 LYS 20 HD2 LYS 20 2.098 -16.839 -15.245 150 HD3 LYS 20 HD1 LYS 20 2.674 -17.495 -13.677 151 HE2 LYS 20 HE2 LYS 20 0.440 -16.907 -12.644 152 HE3 LYS 20 HE1 LYS 20 -0.131 -16.340 -14.267 153 HZ1 LYS 20 HZ1 LYS 20 0.408 -19.043 -13.291 154 HZ2 LYS 20 HZ2 LYS 20 0.742 -18.715 -14.925 155 HZ3 LYS 20 HZ3 LYS 20 -0.820 -18.457 -14.307 156 H SER 21 HN SER 21 4.446 -12.337 -16.010 157 HA SER 21 HA SER 21 2.719 -11.080 -17.862 158 HB2 SER 21 HB2 SER 21 4.291 -9.769 -16.340 159 HB3 SER 21 HB1 SER 21 5.681 -10.407 -17.306 160 HG SER 21 HG SER 21 4.349 -9.498 -19.145 161 H CYS 22 HN CYS 22 5.668 -13.090 -18.158 162 HA CYS 22 HA CYS 22 6.106 -12.483 -20.884 163 HB2 CYS 22 HB2 CYS 22 7.722 -13.696 -19.197 164 HB3 CYS 22 HB1 CYS 22 6.754 -15.156 -19.575 165 H GLN 23 HN GLN 23 4.123 -14.888 -19.100 166 HA GLN 23 HA GLN 23 3.434 -16.321 -21.450 167 HB2 GLN 23 HB2 GLN 23 2.091 -16.109 -18.695 168 HB3 GLN 23 HB1 GLN 23 1.408 -17.107 -20.027 169 HG2 GLN 23 HG2 GLN 23 3.758 -18.278 -20.119 170 HG3 GLN 23 HG1 GLN 23 4.037 -17.506 -18.506 171 HE21 GLN 23 HE21 GLN 23 2.285 -19.990 -20.287 172 HE22 GLN 23 HE22 GLN 23 1.456 -20.688 -18.937 173 H MET 24 HN MET 24 2.398 -13.302 -19.929 174 HA MET 24 HA MET 24 -0.098 -13.291 -21.361 175 HB2 MET 24 HB2 MET 24 1.412 -11.098 -19.854 176 HB3 MET 24 HB1 MET 24 -0.188 -10.872 -20.626 177 HG2 MET 24 HG2 MET 24 0.373 -12.980 -18.495 178 HG3 MET 24 HG1 MET 24 -0.203 -11.335 -18.129 179 HE1 MET 24 HE1 MET 24 -1.057 -14.754 -20.107 180 HE2 MET 24 HE2 MET 24 -2.480 -15.043 -19.047 181 HE3 MET 24 HE3 MET 24 -0.875 -14.691 -18.319 182 H SER 25 HN SER 25 3.242 -12.583 -21.913 183 HA SER 25 HA SER 25 2.807 -10.570 -23.857 184 HB2 SER 25 HB2 SER 25 5.172 -12.520 -23.550 185 HB3 SER 25 HB1 SER 25 5.151 -11.078 -24.644 186 HG SER 25 HG SER 25 4.542 -10.810 -21.906 187 H ASP 26 HN ASP 26 3.348 -10.928 -26.245 188 HA ASP 26 HA ASP 26 1.752 -13.154 -27.112 189 HB2 ASP 26 HB2 ASP 26 3.264 -10.958 -28.619 190 HB3 ASP 26 HB1 ASP 26 2.351 -12.269 -29.446 191 H SER 27 HN SER 27 4.734 -13.058 -25.879 192 HA SER 27 HA SER 27 6.163 -14.325 -28.014 193 HB2 SER 27 HB2 SER 27 6.814 -14.134 -25.003 194 HB3 SER 27 HB1 SER 27 7.932 -14.792 -26.265 195 HG SER 27 HG SER 27 8.505 -12.752 -26.113 196 H CYS 28 HN CYS 28 3.771 -15.141 -25.695 197 HA CYS 28 HA CYS 28 4.662 -17.895 -25.550 198 HB2 CYS 28 HB2 CYS 28 3.564 -16.759 -23.548 199 HB3 CYS 28 HB1 CYS 28 2.076 -16.602 -24.540 200 H HIS 29 HN HIS 29 4.570 -17.832 -28.068 201 HA HIS 29 HA HIS 29 1.789 -18.227 -28.899 202 HB2 HIS 29 HB2 HIS 29 2.653 -18.056 -31.247 203 HB3 HIS 29 HB1 HIS 29 3.021 -16.570 -30.308 204 HD2 HIS 29 HD2 HIS 29 5.789 -16.162 -29.728 205 HE1 HIS 29 HE1 HIS 29 7.101 -19.295 -32.240 206 HE2 HIS 29 HE2 HIS 29 7.794 -17.267 -30.873 207 H ASP 30 HN ASP 30 4.992 -19.670 -28.482 208 HA ASP 30 HA ASP 30 3.834 -22.162 -29.471 209 HB2 ASP 30 HB2 ASP 30 6.270 -20.943 -30.302 210 HB3 ASP 30 HB1 ASP 30 6.771 -22.196 -29.113 211 H GLU 31 HN GLU 31 4.748 -24.123 -28.259 212 HA GLU 31 HA GLU 31 4.387 -23.612 -25.495 213 HB2 GLU 31 HB2 GLU 31 5.374 -26.113 -26.988 214 HB3 GLU 31 HB1 GLU 31 5.113 -26.054 -25.206 215 HG2 GLU 31 HG2 GLU 31 2.686 -25.563 -25.531 216 HG3 GLU 31 HG1 GLU 31 2.924 -25.542 -27.326 217 H GLN 32 HN GLN 32 7.194 -24.269 -27.670 218 HA GLN 32 HA GLN 32 9.046 -24.430 -25.540 219 HB2 GLN 32 HB2 GLN 32 9.505 -25.247 -27.894 220 HB3 GLN 32 HB1 GLN 32 9.532 -23.538 -28.423 221 HG2 GLN 32 HG2 GLN 32 11.475 -23.056 -26.961 222 HG3 GLN 32 HG1 GLN 32 11.427 -24.747 -26.320 223 HE21 GLN 32 HE21 GLN 32 13.785 -24.165 -27.406 224 HE22 GLN 32 HE22 GLN 32 13.976 -24.824 -28.994 225 H SER 33 HN SER 33 7.797 -21.804 -27.649 226 HA SER 33 HA SER 33 9.591 -19.861 -26.739 227 HB2 SER 33 HB2 SER 33 6.680 -19.505 -27.675 228 HB3 SER 33 HB1 SER 33 7.873 -18.163 -27.466 229 HG SER 33 HG SER 33 7.909 -18.756 -29.560 230 H CYS 34 HN CYS 34 6.395 -21.043 -25.506 231 HA CYS 34 HA CYS 34 6.341 -19.057 -23.453 232 HB2 CYS 34 HB2 CYS 34 4.456 -20.890 -24.438 233 HB3 CYS 34 HB1 CYS 34 4.937 -21.630 -22.873 234 H HIS 35 HN HIS 35 7.748 -22.307 -23.911 235 HA HIS 35 HA HIS 35 8.183 -22.808 -21.163 236 HB2 HIS 35 HB2 HIS 35 8.446 -24.641 -22.821 237 HB3 HIS 35 HB1 HIS 35 9.780 -23.731 -23.615 238 HD2 HIS 35 HD2 HIS 35 12.236 -24.531 -22.769 239 HE1 HIS 35 HE1 HIS 35 11.043 -26.120 -19.038 240 HE2 HIS 35 HE2 HIS 35 12.978 -25.763 -20.648 241 H GLN 36 HN GLN 36 9.924 -20.989 -23.713 242 HA GLN 36 HA GLN 36 12.310 -20.660 -22.299 243 HB2 GLN 36 HB2 GLN 36 10.883 -18.807 -24.259 244 HB3 GLN 36 HB1 GLN 36 12.511 -18.466 -23.599 245 HG2 GLN 36 HG2 GLN 36 11.939 -21.136 -24.978 246 HG3 GLN 36 HG1 GLN 36 12.315 -19.650 -25.940 247 HE21 GLN 36 HE21 GLN 36 13.571 -22.077 -23.705 248 HE22 GLN 36 HE22 GLN 36 15.216 -21.565 -23.740 249 H CYS 37 HN CYS 37 9.147 -19.021 -22.150 250 HA CYS 37 HA CYS 37 10.013 -16.869 -20.564 251 HB2 CYS 37 HB2 CYS 37 7.320 -18.314 -20.667 252 HB3 CYS 37 HB1 CYS 37 7.612 -16.842 -19.708 253 H HIS 38 HN HIS 38 8.973 -20.189 -19.866 254 HA HIS 38 HA HIS 38 8.973 -19.796 -17.060 255 HB2 HIS 38 HB2 HIS 38 7.723 -21.685 -18.207 256 HB3 HIS 38 HB1 HIS 38 9.325 -22.412 -18.603 257 HD2 HIS 38 HD2 HIS 38 10.803 -23.330 -16.309 258 HE1 HIS 38 HE1 HIS 38 7.371 -23.297 -13.832 259 HE2 HIS 38 HE2 HIS 38 9.781 -24.083 -14.075 260 H VAL 39 HN VAL 39 11.270 -20.910 -19.529 261 HA VAL 39 HA VAL 39 13.210 -21.748 -17.667 262 HB VAL 39 HB VAL 39 13.437 -20.719 -20.523 263 HG11 VAL 39 HG11 VAL 39 15.765 -21.890 -20.290 264 HG12 VAL 39 HG12 VAL 39 15.511 -21.749 -18.508 265 HG13 VAL 39 HG13 VAL 39 15.569 -20.265 -19.534 266 HG21 VAL 39 HG21 VAL 39 14.116 -23.438 -20.376 267 HG22 VAL 39 HG22 VAL 39 12.518 -22.775 -20.887 268 HG23 VAL 39 HG23 VAL 39 12.777 -23.292 -19.173 269 H LYS 40 HN LYS 40 12.341 -18.606 -19.193 270 HA LYS 40 HA LYS 40 14.667 -17.274 -18.284 271 HB2 LYS 40 HB2 LYS 40 11.838 -16.262 -18.918 272 HB3 LYS 40 HB1 LYS 40 13.162 -15.166 -18.390 273 HG2 LYS 40 HG2 LYS 40 14.232 -15.239 -20.412 274 HG3 LYS 40 HG1 LYS 40 13.891 -16.988 -20.654 275 HD2 LYS 40 HD2 LYS 40 11.984 -16.583 -21.846 276 HD3 LYS 40 HD1 LYS 40 11.462 -15.251 -20.765 277 HE2 LYS 40 HE2 LYS 40 13.767 -14.897 -22.774 278 HE3 LYS 40 HE1 LYS 40 12.036 -14.609 -23.223 279 HZ1 LYS 40 HZ1 LYS 40 13.739 -12.844 -22.049 280 HZ2 LYS 40 HZ2 LYS 40 12.771 -13.360 -20.753 281 HZ3 LYS 40 HZ3 LYS 40 12.050 -12.710 -22.146 282 H HIS 41 HN HIS 41 11.473 -18.066 -16.920 283 HA HIS 41 HA HIS 41 11.766 -16.497 -14.616 284 HB2 HIS 41 HB2 HIS 41 9.584 -17.483 -15.200 285 HB3 HIS 41 HB1 HIS 41 10.271 -19.126 -15.065 286 HD2 HIS 41 HD2 HIS 41 9.188 -16.133 -12.669 287 HE1 HIS 41 HE1 HIS 41 9.666 -19.668 -10.433 288 HE2 HIS 41 HE2 HIS 41 8.912 -17.245 -10.386 289 H THR 42 HN THR 42 12.691 -19.847 -15.516 290 HA THR 42 HA THR 42 13.524 -20.598 -12.973 291 HB THR 42 HB THR 42 14.540 -21.441 -15.735 292 HG1 THR 42 HG1 THR 42 12.336 -21.873 -15.073 293 HG21 THR 42 HG21 THR 42 15.325 -22.197 -12.916 294 HG22 THR 42 HG22 THR 42 16.307 -22.150 -14.425 295 HG23 THR 42 HG23 THR 42 15.178 -23.521 -14.125 296 H ASP 43 HN ASP 43 15.294 -19.011 -15.730 297 HA ASP 43 HA ASP 43 17.738 -18.939 -14.264 298 HB2 ASP 43 HB2 ASP 43 16.755 -17.321 -16.680 299 HB3 ASP 43 HB1 ASP 43 18.407 -17.139 -15.980 300 H CYS 44 HN CYS 44 14.893 -16.824 -14.574 301 HA CYS 44 HA CYS 44 16.112 -14.537 -13.436 302 HB2 CYS 44 HB2 CYS 44 13.846 -14.563 -14.699 303 HB3 CYS 44 HB1 CYS 44 13.153 -15.330 -13.234 304 H VAL 45 HN VAL 45 14.428 -17.405 -12.239 305 HA VAL 45 HA VAL 45 14.388 -16.417 -9.583 306 HB VAL 45 HB VAL 45 13.738 -18.984 -10.978 307 HG11 VAL 45 HG11 VAL 45 13.530 -20.088 -8.673 308 HG12 VAL 45 HG12 VAL 45 14.454 -18.706 -7.983 309 HG13 VAL 45 HG13 VAL 45 15.231 -19.797 -9.204 310 HG21 VAL 45 HG21 VAL 45 12.385 -17.088 -8.964 311 HG22 VAL 45 HG22 VAL 45 11.669 -18.665 -9.472 312 HG23 VAL 45 HG23 VAL 45 11.955 -17.365 -10.696 313 H ASN 46 HN ASN 46 16.445 -18.515 -11.565 314 HA ASN 46 HA ASN 46 17.984 -19.451 -9.424 315 HB2 ASN 46 HB2 ASN 46 18.466 -19.083 -12.388 316 HB3 ASN 46 HB1 ASN 46 19.807 -19.583 -11.304 317 HD21 ASN 46 HD21 ASN 46 18.219 -20.975 -13.528 318 HD22 ASN 46 HD22 ASN 46 17.727 -22.472 -12.829 319 H THR 47 HN THR 47 18.038 -16.409 -11.274 320 HA THR 47 HA THR 47 20.583 -15.758 -10.028 321 HB THR 47 HB THR 47 18.823 -14.073 -11.865 322 HG1 THR 47 HG1 THR 47 19.664 -15.882 -12.892 323 HG21 THR 47 HG21 THR 47 20.191 -12.569 -10.606 324 HG22 THR 47 HG22 THR 47 21.145 -12.862 -12.110 325 HG23 THR 47 HG23 THR 47 21.587 -13.712 -10.581 326 H GLY 48 HN GLY 48 17.145 -14.630 -10.097 327 HA2 GLY 48 HA2 GLY 48 17.692 -12.576 -8.207 328 HA3 GLY 48 HA1 GLY 48 16.076 -13.227 -8.719 329 H CYS 49 HN CYS 49 16.507 -16.011 -7.956 330 HA CYS 49 HA CYS 49 17.110 -15.827 -5.116 331 HB2 CYS 49 HB2 CYS 49 14.833 -17.252 -4.844 332 HB3 CYS 49 HB1 CYS 49 14.862 -15.477 -4.658 333 HA PRO 50 HA PRO 50 18.607 -19.536 -7.528 334 HB2 PRO 50 HB2 PRO 50 20.750 -19.673 -5.603 335 HB3 PRO 50 HB1 PRO 50 20.858 -19.087 -7.317 336 HG2 PRO 50 HG2 PRO 50 20.551 -17.505 -4.742 337 HG3 PRO 50 HG1 PRO 50 21.354 -17.040 -6.298 338 HD2 PRO 50 HD2 PRO 50 18.936 -16.015 -5.587 339 HD3 PRO 50 HD1 PRO 50 19.325 -16.395 -7.308 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 9.777 -29.054 4.953 2 H2 SER 1 HT2 SER 1 8.762 -30.300 5.503 3 H3 SER 1 HT3 SER 1 9.482 -29.238 6.617 4 HA SER 1 HA SER 1 7.683 -28.263 4.514 5 HB2 SER 1 HB2 SER 1 6.543 -30.082 5.965 6 HB3 SER 1 HB1 SER 1 6.816 -28.981 7.375 7 HG SER 1 HG SER 1 5.469 -27.538 6.527 8 H SER 2 HN SER 2 9.426 -26.504 4.637 9 HA SER 2 HA SER 2 8.526 -24.597 6.603 10 HB2 SER 2 HB2 SER 2 10.472 -25.725 7.807 11 HB3 SER 2 HB1 SER 2 11.516 -25.328 6.383 12 HG SER 2 HG SER 2 11.456 -23.271 6.887 13 H THR 3 HN THR 3 8.942 -22.409 5.876 14 HA THR 3 HA THR 3 9.362 -22.337 3.053 15 HB THR 3 HB THR 3 9.188 -19.992 4.995 16 HG1 THR 3 HG1 THR 3 6.977 -20.218 3.713 17 HG21 THR 3 HG21 THR 3 10.122 -19.467 2.745 18 HG22 THR 3 HG22 THR 3 8.476 -18.760 2.935 19 HG23 THR 3 HG23 THR 3 8.707 -20.262 1.963 20 HA PRO 4 HA PRO 4 13.750 -22.090 3.177 21 HB2 PRO 4 HB2 PRO 4 13.285 -20.340 0.764 22 HB3 PRO 4 HB1 PRO 4 14.369 -21.773 0.953 23 HG2 PRO 4 HG2 PRO 4 12.038 -22.000 -0.372 24 HG3 PRO 4 HG1 PRO 4 12.599 -23.315 0.721 25 HD2 PRO 4 HD2 PRO 4 10.449 -21.208 1.174 26 HD3 PRO 4 HD1 PRO 4 10.499 -22.940 1.699 27 H ASP 5 HN ASP 5 11.911 -19.069 2.455 28 HA ASP 5 HA ASP 5 13.442 -17.759 4.468 29 HB2 ASP 5 HB2 ASP 5 14.739 -17.567 2.172 30 HB3 ASP 5 HB1 ASP 5 13.398 -16.467 1.721 31 H GLY 6 HN GLY 6 12.504 -15.252 2.680 32 HA2 GLY 6 HA2 GLY 6 9.687 -15.484 2.811 33 HA3 GLY 6 HA1 GLY 6 10.413 -14.480 4.145 34 H THR 7 HN THR 7 12.745 -13.644 2.499 35 HA THR 7 HA THR 7 11.272 -11.657 0.904 36 HB THR 7 HB THR 7 14.167 -11.713 1.906 37 HG1 THR 7 HG1 THR 7 13.060 -9.587 2.693 38 HG21 THR 7 HG21 THR 7 14.263 -10.644 -0.235 39 HG22 THR 7 HG22 THR 7 14.072 -9.278 0.929 40 HG23 THR 7 HG23 THR 7 12.652 -9.861 -0.018 41 H TRP 8 HN TRP 8 13.698 -14.219 0.896 42 HA TRP 8 HA TRP 8 14.619 -13.825 -1.690 43 HB2 TRP 8 HB2 TRP 8 15.954 -15.436 -0.718 44 HB3 TRP 8 HB1 TRP 8 14.654 -15.987 0.354 45 HD1 TRP 8 HD1 TRP 8 16.343 -16.872 -2.972 46 HE1 TRP 8 HE1 TRP 8 15.305 -19.029 -3.841 47 HE3 TRP 8 HE3 TRP 8 12.457 -17.277 0.270 48 HZ2 TRP 8 HZ2 TRP 8 13.119 -20.676 -3.218 49 HZ3 TRP 8 HZ3 TRP 8 10.925 -19.171 0.073 50 HH2 TRP 8 HH2 TRP 8 11.260 -20.851 -1.666 51 H VAL 9 HN VAL 9 11.723 -15.463 -0.328 52 HA VAL 9 HA VAL 9 11.019 -16.701 -2.782 53 HB VAL 9 HB VAL 9 10.122 -17.429 -0.547 54 HG11 VAL 9 HG11 VAL 9 8.151 -15.114 -0.715 55 HG12 VAL 9 HG12 VAL 9 9.784 -14.798 -0.026 56 HG13 VAL 9 HG13 VAL 9 8.718 -16.043 0.722 57 HG21 VAL 9 HG21 VAL 9 9.079 -18.047 -2.732 58 HG22 VAL 9 HG22 VAL 9 8.067 -16.542 -2.665 59 HG23 VAL 9 HG23 VAL 9 7.845 -17.844 -1.431 60 H LYS 10 HN LYS 10 10.678 -13.446 -1.439 61 HA LYS 10 HA LYS 10 8.456 -12.703 -2.997 62 HB2 LYS 10 HB2 LYS 10 10.821 -11.017 -1.975 63 HB3 LYS 10 HB1 LYS 10 9.389 -10.320 -2.808 64 HG2 LYS 10 HG2 LYS 10 7.897 -11.218 -1.024 65 HG3 LYS 10 HG1 LYS 10 9.320 -11.926 -0.188 66 HD2 LYS 10 HD2 LYS 10 10.293 -9.638 0.096 67 HD3 LYS 10 HD1 LYS 10 8.873 -8.928 -0.746 68 HE2 LYS 10 HE2 LYS 10 7.361 -9.787 1.065 69 HE3 LYS 10 HE1 LYS 10 8.789 -10.517 1.911 70 HZ1 LYS 10 HZ1 LYS 10 7.926 -8.196 2.556 71 HZ2 LYS 10 HZ2 LYS 10 8.790 -7.656 1.197 72 HZ3 LYS 10 HZ3 LYS 10 9.598 -8.472 2.448 73 H CYS 11 HN CYS 11 11.846 -13.336 -3.696 74 HA CYS 11 HA CYS 11 11.852 -11.858 -6.128 75 HB2 CYS 11 HB2 CYS 11 14.077 -12.233 -5.442 76 HB3 CYS 11 HB1 CYS 11 13.688 -13.840 -4.787 77 H ARG 12 HN ARG 12 11.315 -15.239 -5.052 78 HA ARG 12 HA ARG 12 11.097 -16.369 -7.546 79 HB2 ARG 12 HB2 ARG 12 9.475 -16.973 -5.024 80 HB3 ARG 12 HB1 ARG 12 9.584 -18.026 -6.447 81 HG2 ARG 12 HG2 ARG 12 12.113 -17.172 -5.052 82 HG3 ARG 12 HG1 ARG 12 11.091 -18.464 -4.340 83 HD2 ARG 12 HD2 ARG 12 11.230 -19.734 -6.535 84 HD3 ARG 12 HD1 ARG 12 12.379 -18.459 -7.137 85 HE ARG 12 HE ARG 12 13.516 -19.197 -4.746 86 HH11 ARG 12 HH11 ARG 12 12.206 -21.002 -7.525 87 HH12 ARG 12 HH12 ARG 12 13.310 -22.328 -7.384 88 HH21 ARG 12 HH21 ARG 12 15.026 -21.013 -4.557 89 HH22 ARG 12 HH22 ARG 12 14.938 -22.334 -5.671 90 H HIS 13 HN HIS 13 8.734 -14.698 -5.446 91 HA HIS 13 HA HIS 13 6.599 -15.094 -7.294 92 HB2 HIS 13 HB2 HIS 13 5.991 -14.620 -4.979 93 HB3 HIS 13 HB1 HIS 13 6.999 -13.129 -4.973 94 HD2 HIS 13 HD2 HIS 13 5.638 -10.838 -5.642 95 HE1 HIS 13 HE1 HIS 13 2.172 -12.736 -7.153 96 HE2 HIS 13 HE2 HIS 13 3.260 -10.518 -6.546 97 H ASP 14 HN ASP 14 9.028 -12.497 -6.701 98 HA ASP 14 HA ASP 14 7.845 -10.578 -8.348 99 HB2 ASP 14 HB2 ASP 14 9.932 -10.268 -6.827 100 HB3 ASP 14 HB1 ASP 14 10.872 -11.021 -8.154 101 H CYS 15 HN CYS 15 10.363 -13.106 -9.157 102 HA CYS 15 HA CYS 15 10.288 -12.347 -11.911 103 HB2 CYS 15 HB2 CYS 15 11.254 -14.952 -10.573 104 HB3 CYS 15 HB1 CYS 15 11.451 -14.584 -12.314 105 H PHE 16 HN PHE 16 8.405 -14.441 -9.797 106 HA PHE 16 HA PHE 16 7.383 -16.099 -11.805 107 HB2 PHE 16 HB2 PHE 16 7.010 -16.524 -9.373 108 HB3 PHE 16 HB1 PHE 16 5.958 -15.073 -9.305 109 HD1 PHE 16 HD1 PHE 16 6.329 -18.104 -11.468 110 HD2 PHE 16 HD2 PHE 16 3.770 -15.512 -9.273 111 HE1 PHE 16 HE1 PHE 16 4.399 -19.488 -12.063 112 HE2 PHE 16 HE2 PHE 16 1.847 -16.907 -9.877 113 HZ PHE 16 HZ PHE 16 2.161 -18.894 -11.270 114 H THR 17 HN THR 17 6.233 -12.950 -10.428 115 HA THR 17 HA THR 17 3.963 -12.866 -12.105 116 HB THR 17 HB THR 17 3.967 -10.410 -11.691 117 HG1 THR 17 HG1 THR 17 6.527 -11.062 -10.720 118 HG21 THR 17 HG21 THR 17 4.724 -11.361 -8.990 119 HG22 THR 17 HG22 THR 17 3.642 -12.514 -9.859 120 HG23 THR 17 HG23 THR 17 3.127 -10.803 -9.610 121 H LYS 18 HN LYS 18 7.393 -11.841 -12.517 122 HA LYS 18 HA LYS 18 6.941 -10.515 -14.951 123 HB2 LYS 18 HB2 LYS 18 9.388 -11.824 -13.703 124 HB3 LYS 18 HB1 LYS 18 9.445 -11.259 -15.407 125 HG2 LYS 18 HG2 LYS 18 10.229 -9.672 -13.429 126 HG3 LYS 18 HG1 LYS 18 9.329 -9.011 -14.833 127 HD2 LYS 18 HD2 LYS 18 7.323 -8.779 -13.606 128 HD3 LYS 18 HD1 LYS 18 7.824 -9.970 -12.365 129 HE2 LYS 18 HE2 LYS 18 7.887 -7.654 -11.457 130 HE3 LYS 18 HE1 LYS 18 9.554 -8.354 -11.521 131 HZ1 LYS 18 HZ1 LYS 18 8.634 -6.012 -12.662 132 HZ2 LYS 18 HZ2 LYS 18 8.928 -7.068 -13.958 133 HZ3 LYS 18 HZ3 LYS 18 10.159 -6.735 -12.838 134 H TYR 19 HN TYR 19 7.292 -13.899 -13.977 135 HA TYR 19 HA TYR 19 7.755 -14.801 -16.640 136 HB2 TYR 19 HB2 TYR 19 8.461 -16.398 -15.080 137 HB3 TYR 19 HB1 TYR 19 7.080 -16.097 -13.988 138 HD1 TYR 19 HD1 TYR 19 7.981 -17.532 -17.298 139 HD2 TYR 19 HD2 TYR 19 5.275 -17.458 -14.032 140 HE1 TYR 19 HE1 TYR 19 6.826 -19.480 -18.225 141 HE2 TYR 19 HE2 TYR 19 4.121 -19.404 -14.957 142 HH TYR 19 HH TYR 19 5.119 -21.472 -16.776 143 H LYS 20 HN LYS 20 4.936 -14.678 -14.378 144 HA LYS 20 HA LYS 20 3.137 -15.825 -16.153 145 HB2 LYS 20 HB2 LYS 20 2.602 -13.568 -14.153 146 HB3 LYS 20 HB1 LYS 20 1.367 -14.635 -14.890 147 HG2 LYS 20 HG2 LYS 20 3.665 -15.607 -13.143 148 HG3 LYS 20 HG1 LYS 20 2.017 -15.272 -12.558 149 HD2 LYS 20 HD2 LYS 20 2.236 -17.112 -14.932 150 HD3 LYS 20 HD1 LYS 20 2.876 -17.742 -13.377 151 HE2 LYS 20 HE2 LYS 20 0.658 -17.248 -12.283 152 HE3 LYS 20 HE1 LYS 20 0.020 -16.667 -13.876 153 HZ1 LYS 20 HZ1 LYS 20 1.279 -19.287 -13.869 154 HZ2 LYS 20 HZ2 LYS 20 -0.129 -18.735 -14.642 155 HZ3 LYS 20 HZ3 LYS 20 -0.172 -19.158 -12.998 156 H SER 21 HN SER 21 4.420 -12.521 -15.773 157 HA SER 21 HA SER 21 2.594 -11.332 -17.579 158 HB2 SER 21 HB2 SER 21 5.522 -10.578 -16.965 159 HB3 SER 21 HB1 SER 21 4.383 -9.549 -17.923 160 HG SER 21 HG SER 21 4.134 -10.398 -15.219 161 H CYS 22 HN CYS 22 5.609 -13.227 -17.949 162 HA CYS 22 HA CYS 22 5.924 -12.621 -20.702 163 HB2 CYS 22 HB2 CYS 22 7.679 -13.698 -19.068 164 HB3 CYS 22 HB1 CYS 22 6.783 -15.221 -19.365 165 H GLN 23 HN GLN 23 4.144 -15.068 -18.799 166 HA GLN 23 HA GLN 23 3.465 -16.631 -21.060 167 HB2 GLN 23 HB2 GLN 23 2.114 -16.342 -18.312 168 HB3 GLN 23 HB1 GLN 23 1.570 -17.510 -19.565 169 HG2 GLN 23 HG2 GLN 23 4.424 -17.471 -18.378 170 HG3 GLN 23 HG1 GLN 23 3.081 -18.535 -17.793 171 HE21 GLN 23 HE21 GLN 23 1.973 -19.925 -19.475 172 HE22 GLN 23 HE22 GLN 23 2.936 -20.582 -20.753 173 H MET 24 HN MET 24 2.340 -13.578 -19.688 174 HA MET 24 HA MET 24 -0.187 -13.767 -21.072 175 HB2 MET 24 HB2 MET 24 1.187 -11.452 -19.622 176 HB3 MET 24 HB1 MET 24 -0.434 -11.357 -20.374 177 HG2 MET 24 HG2 MET 24 0.300 -13.382 -18.219 178 HG3 MET 24 HG1 MET 24 -0.374 -11.772 -17.867 179 HE1 MET 24 HE1 MET 24 -0.999 -15.260 -19.743 180 HE2 MET 24 HE2 MET 24 -2.430 -15.630 -18.720 181 HE3 MET 24 HE3 MET 24 -0.872 -15.168 -17.952 182 H SER 25 HN SER 25 3.094 -12.940 -21.701 183 HA SER 25 HA SER 25 2.591 -10.921 -23.613 184 HB2 SER 25 HB2 SER 25 4.951 -12.892 -23.435 185 HB3 SER 25 HB1 SER 25 4.894 -11.437 -24.510 186 HG SER 25 HG SER 25 4.368 -11.146 -21.770 187 H ASP 26 HN ASP 26 2.914 -11.193 -26.014 188 HA ASP 26 HA ASP 26 1.314 -13.419 -26.851 189 HB2 ASP 26 HB2 ASP 26 2.739 -11.184 -28.386 190 HB3 ASP 26 HB1 ASP 26 1.791 -12.483 -29.195 191 H SER 27 HN SER 27 4.458 -13.198 -25.885 192 HA SER 27 HA SER 27 5.632 -14.586 -28.112 193 HB2 SER 27 HB2 SER 27 6.693 -14.123 -25.252 194 HB3 SER 27 HB1 SER 27 7.645 -14.858 -26.605 195 HG SER 27 HG SER 27 8.162 -12.854 -26.861 196 H CYS 28 HN CYS 28 3.535 -15.289 -25.535 197 HA CYS 28 HA CYS 28 4.571 -17.984 -25.230 198 HB2 CYS 28 HB2 CYS 28 3.629 -16.634 -23.236 199 HB3 CYS 28 HB1 CYS 28 2.032 -16.739 -24.045 200 H HIS 29 HN HIS 29 4.208 -18.224 -27.683 201 HA HIS 29 HA HIS 29 1.375 -18.861 -28.116 202 HB2 HIS 29 HB2 HIS 29 1.931 -18.712 -30.600 203 HB3 HIS 29 HB1 HIS 29 2.048 -17.136 -29.743 204 HD2 HIS 29 HD2 HIS 29 4.743 -16.179 -29.366 205 HE1 HIS 29 HE1 HIS 29 6.395 -18.949 -32.090 206 HE2 HIS 29 HE2 HIS 29 6.802 -16.839 -30.733 207 H ASP 30 HN ASP 30 4.791 -19.832 -28.318 208 HA ASP 30 HA ASP 30 3.873 -22.468 -29.162 209 HB2 ASP 30 HB2 ASP 30 6.617 -21.102 -29.269 210 HB3 ASP 30 HB1 ASP 30 6.458 -22.891 -29.383 211 H GLU 31 HN GLU 31 4.624 -24.318 -27.922 212 HA GLU 31 HA GLU 31 4.533 -23.806 -25.169 213 HB2 GLU 31 HB2 GLU 31 5.481 -26.288 -26.716 214 HB3 GLU 31 HB1 GLU 31 5.341 -26.229 -24.921 215 HG2 GLU 31 HG2 GLU 31 2.885 -25.802 -25.077 216 HG3 GLU 31 HG1 GLU 31 2.997 -25.773 -26.883 217 H GLN 32 HN GLN 32 7.212 -24.353 -27.519 218 HA GLN 32 HA GLN 32 9.207 -24.515 -25.527 219 HB2 GLN 32 HB2 GLN 32 9.522 -25.224 -27.941 220 HB3 GLN 32 HB1 GLN 32 9.475 -23.493 -28.394 221 HG2 GLN 32 HG2 GLN 32 11.500 -23.025 -27.042 222 HG3 GLN 32 HG1 GLN 32 11.533 -24.744 -26.478 223 HE21 GLN 32 HE21 GLN 32 13.800 -24.066 -27.687 224 HE22 GLN 32 HE22 GLN 32 13.898 -24.644 -29.314 225 H SER 33 HN SER 33 7.828 -21.820 -27.514 226 HA SER 33 HA SER 33 9.613 -19.883 -26.531 227 HB2 SER 33 HB2 SER 33 6.705 -19.535 -27.490 228 HB3 SER 33 HB1 SER 33 7.858 -18.174 -27.191 229 HG SER 33 HG SER 33 8.228 -18.530 -29.216 230 H CYS 34 HN CYS 34 6.412 -21.114 -25.391 231 HA CYS 34 HA CYS 34 6.244 -19.227 -23.285 232 HB2 CYS 34 HB2 CYS 34 5.049 -22.056 -23.525 233 HB3 CYS 34 HB1 CYS 34 4.632 -20.881 -22.230 234 H HIS 35 HN HIS 35 7.776 -22.453 -23.724 235 HA HIS 35 HA HIS 35 8.329 -22.864 -20.989 236 HB2 HIS 35 HB2 HIS 35 8.619 -24.719 -22.614 237 HB3 HIS 35 HB1 HIS 35 9.885 -23.772 -23.474 238 HD2 HIS 35 HD2 HIS 35 12.400 -24.457 -22.708 239 HE1 HIS 35 HE1 HIS 35 11.408 -26.026 -18.908 240 HE2 HIS 35 HE2 HIS 35 13.266 -25.623 -20.595 241 H GLN 36 HN GLN 36 9.935 -21.009 -23.606 242 HA GLN 36 HA GLN 36 12.350 -20.582 -22.266 243 HB2 GLN 36 HB2 GLN 36 10.804 -18.784 -24.187 244 HB3 GLN 36 HB1 GLN 36 12.444 -18.398 -23.588 245 HG2 GLN 36 HG2 GLN 36 11.902 -21.091 -24.929 246 HG3 GLN 36 HG1 GLN 36 12.186 -19.602 -25.916 247 HE21 GLN 36 HE21 GLN 36 13.613 -21.955 -23.702 248 HE22 GLN 36 HE22 GLN 36 15.238 -21.392 -23.816 249 H CYS 37 HN CYS 37 9.139 -19.040 -22.033 250 HA CYS 37 HA CYS 37 9.985 -16.854 -20.484 251 HB2 CYS 37 HB2 CYS 37 7.335 -18.379 -20.508 252 HB3 CYS 37 HB1 CYS 37 7.609 -16.900 -19.554 253 H HIS 38 HN HIS 38 9.072 -20.199 -19.734 254 HA HIS 38 HA HIS 38 9.144 -19.784 -16.930 255 HB2 HIS 38 HB2 HIS 38 7.919 -21.720 -18.022 256 HB3 HIS 38 HB1 HIS 38 9.529 -22.400 -18.467 257 HD2 HIS 38 HD2 HIS 38 11.119 -23.233 -16.208 258 HE1 HIS 38 HE1 HIS 38 7.758 -23.328 -13.634 259 HE2 HIS 38 HE2 HIS 38 10.192 -24.014 -13.942 260 H VAL 39 HN VAL 39 11.401 -20.835 -19.461 261 HA VAL 39 HA VAL 39 13.422 -21.613 -17.661 262 HB VAL 39 HB VAL 39 13.529 -20.569 -20.519 263 HG11 VAL 39 HG11 VAL 39 15.698 -21.531 -18.573 264 HG12 VAL 39 HG12 VAL 39 15.673 -20.042 -19.591 265 HG13 VAL 39 HG13 VAL 39 15.902 -21.659 -20.360 266 HG21 VAL 39 HG21 VAL 39 14.304 -23.260 -20.405 267 HG22 VAL 39 HG22 VAL 39 12.667 -22.654 -20.856 268 HG23 VAL 39 HG23 VAL 39 13.005 -23.167 -19.154 269 H LYS 40 HN LYS 40 12.410 -18.495 -19.144 270 HA LYS 40 HA LYS 40 14.721 -17.097 -18.298 271 HB2 LYS 40 HB2 LYS 40 11.848 -16.175 -18.863 272 HB3 LYS 40 HB1 LYS 40 13.143 -15.035 -18.351 273 HG2 LYS 40 HG2 LYS 40 14.169 -15.051 -20.394 274 HG3 LYS 40 HG1 LYS 40 13.904 -16.813 -20.635 275 HD2 LYS 40 HD2 LYS 40 11.951 -16.499 -21.782 276 HD3 LYS 40 HD1 LYS 40 11.402 -15.174 -20.704 277 HE2 LYS 40 HE2 LYS 40 13.659 -14.752 -22.754 278 HE3 LYS 40 HE1 LYS 40 11.910 -14.546 -23.184 279 HZ1 LYS 40 HZ1 LYS 40 12.919 -13.226 -20.769 280 HZ2 LYS 40 HZ2 LYS 40 11.731 -12.738 -21.879 281 HZ3 LYS 40 HZ3 LYS 40 13.376 -12.597 -22.277 282 H HIS 41 HN HIS 41 11.594 -17.990 -16.845 283 HA HIS 41 HA HIS 41 11.895 -16.413 -14.547 284 HB2 HIS 41 HB2 HIS 41 9.737 -17.479 -15.062 285 HB3 HIS 41 HB1 HIS 41 10.487 -19.095 -14.957 286 HD2 HIS 41 HD2 HIS 41 9.384 -16.148 -12.511 287 HE1 HIS 41 HE1 HIS 41 10.038 -19.681 -10.313 288 HE2 HIS 41 HE2 HIS 41 9.214 -17.282 -10.227 289 H THR 42 HN THR 42 12.922 -19.724 -15.477 290 HA THR 42 HA THR 42 13.853 -20.448 -12.961 291 HB THR 42 HB THR 42 14.833 -21.239 -15.753 292 HG1 THR 42 HG1 THR 42 12.655 -21.753 -14.983 293 HG21 THR 42 HG21 THR 42 15.705 -21.990 -12.952 294 HG22 THR 42 HG22 THR 42 16.662 -21.862 -14.473 295 HG23 THR 42 HG23 THR 42 15.609 -23.295 -14.188 296 H ASP 43 HN ASP 43 15.486 -18.773 -15.752 297 HA ASP 43 HA ASP 43 17.962 -18.607 -14.349 298 HB2 ASP 43 HB2 ASP 43 16.849 -17.020 -16.730 299 HB3 ASP 43 HB1 ASP 43 18.506 -16.765 -16.068 300 H CYS 44 HN CYS 44 15.024 -16.606 -14.572 301 HA CYS 44 HA CYS 44 16.178 -14.279 -13.445 302 HB2 CYS 44 HB2 CYS 44 13.879 -14.404 -14.655 303 HB3 CYS 44 HB1 CYS 44 13.259 -15.181 -13.163 304 H VAL 45 HN VAL 45 14.656 -17.225 -12.228 305 HA VAL 45 HA VAL 45 14.634 -16.254 -9.563 306 HB VAL 45 HB VAL 45 14.053 -18.832 -10.964 307 HG11 VAL 45 HG11 VAL 45 13.959 -19.972 -8.670 308 HG12 VAL 45 HG12 VAL 45 14.845 -18.561 -7.989 309 HG13 VAL 45 HG13 VAL 45 15.631 -19.603 -9.246 310 HG21 VAL 45 HG21 VAL 45 12.020 -18.616 -9.397 311 HG22 VAL 45 HG22 VAL 45 12.215 -17.290 -10.609 312 HG23 VAL 45 HG23 VAL 45 12.685 -17.019 -8.886 313 H ASN 46 HN ASN 46 16.731 -18.247 -11.612 314 HA ASN 46 HA ASN 46 18.364 -19.143 -9.526 315 HB2 ASN 46 HB2 ASN 46 18.749 -18.714 -12.494 316 HB3 ASN 46 HB1 ASN 46 20.144 -19.159 -11.456 317 HD21 ASN 46 HD21 ASN 46 18.579 -20.604 -13.654 318 HD22 ASN 46 HD22 ASN 46 18.175 -22.131 -12.961 319 H THR 47 HN THR 47 18.250 -16.069 -11.323 320 HA THR 47 HA THR 47 20.788 -15.338 -10.090 321 HB THR 47 HB THR 47 18.986 -13.739 -11.965 322 HG1 THR 47 HG1 THR 47 19.906 -15.483 -12.992 323 HG21 THR 47 HG21 THR 47 20.268 -12.170 -10.683 324 HG22 THR 47 HG22 THR 47 21.238 -12.416 -12.185 325 HG23 THR 47 HG23 THR 47 21.719 -13.242 -10.656 326 H GLY 48 HN GLY 48 17.305 -14.381 -10.151 327 HA2 GLY 48 HA2 GLY 48 17.756 -12.259 -8.314 328 HA3 GLY 48 HA1 GLY 48 16.174 -13.015 -8.787 329 H CYS 49 HN CYS 49 16.782 -15.751 -7.984 330 HA CYS 49 HA CYS 49 17.445 -15.496 -5.170 331 HB2 CYS 49 HB2 CYS 49 15.227 -16.992 -4.805 332 HB3 CYS 49 HB1 CYS 49 15.202 -15.213 -4.643 333 HA PRO 50 HA PRO 50 19.023 -19.157 -7.607 334 HB2 PRO 50 HB2 PRO 50 21.148 -19.218 -5.636 335 HB3 PRO 50 HB1 PRO 50 21.266 -18.703 -7.372 336 HG2 PRO 50 HG2 PRO 50 20.942 -17.020 -4.874 337 HG3 PRO 50 HG1 PRO 50 21.687 -16.592 -6.468 338 HD2 PRO 50 HD2 PRO 50 19.251 -15.623 -5.716 339 HD3 PRO 50 HD1 PRO 50 19.616 -16.031 -7.436 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 9.237 -30.260 5.531 2 H2 SER 1 HT2 SER 1 9.532 -29.549 7.046 3 H3 SER 1 HT3 SER 1 10.280 -28.924 5.654 4 HA SER 1 HA SER 1 8.118 -28.325 4.766 5 HB2 SER 1 HB2 SER 1 6.875 -30.091 6.205 6 HB3 SER 1 HB1 SER 1 7.061 -28.935 7.585 7 HG SER 1 HG SER 1 5.720 -27.584 6.660 8 H SER 2 HN SER 2 9.705 -26.499 4.841 9 HA SER 2 HA SER 2 8.803 -24.601 6.811 10 HB2 SER 2 HB2 SER 2 10.806 -25.662 7.982 11 HB3 SER 2 HB1 SER 2 11.807 -25.251 6.531 12 HG SER 2 HG SER 2 11.682 -23.183 7.007 13 H THR 3 HN THR 3 9.144 -22.409 6.054 14 HA THR 3 HA THR 3 9.488 -22.352 3.222 15 HB THR 3 HB THR 3 9.330 -19.992 5.147 16 HG1 THR 3 HG1 THR 3 7.084 -20.315 3.903 17 HG21 THR 3 HG21 THR 3 8.753 -20.306 2.135 18 HG22 THR 3 HG22 THR 3 10.177 -19.472 2.861 19 HG23 THR 3 HG23 THR 3 8.523 -18.799 3.097 20 HA PRO 4 HA PRO 4 13.872 -22.020 3.213 21 HB2 PRO 4 HB2 PRO 4 13.310 -20.292 0.805 22 HB3 PRO 4 HB1 PRO 4 14.419 -21.708 0.970 23 HG2 PRO 4 HG2 PRO 4 12.051 -21.970 -0.287 24 HG3 PRO 4 HG1 PRO 4 12.669 -23.276 0.787 25 HD2 PRO 4 HD2 PRO 4 10.495 -21.211 1.306 26 HD3 PRO 4 HD1 PRO 4 10.597 -22.940 1.834 27 H ASP 5 HN ASP 5 11.960 -19.039 2.522 28 HA ASP 5 HA ASP 5 13.499 -17.688 4.494 29 HB2 ASP 5 HB2 ASP 5 14.780 -17.505 2.193 30 HB3 ASP 5 HB1 ASP 5 13.421 -16.431 1.733 31 H GLY 6 HN GLY 6 12.515 -15.217 2.676 32 HA2 GLY 6 HA2 GLY 6 9.705 -15.475 2.826 33 HA3 GLY 6 HA1 GLY 6 10.423 -14.456 4.153 34 H THR 7 HN THR 7 12.742 -13.604 2.495 35 HA THR 7 HA THR 7 11.245 -11.639 0.897 36 HB THR 7 HB THR 7 14.143 -11.664 1.889 37 HG1 THR 7 HG1 THR 7 12.779 -9.512 2.540 38 HG21 THR 7 HG21 THR 7 14.229 -10.604 -0.254 39 HG22 THR 7 HG22 THR 7 14.018 -9.232 0.900 40 HG23 THR 7 HG23 THR 7 12.606 -9.842 -0.045 41 H TRP 8 HN TRP 8 13.689 -14.181 0.891 42 HA TRP 8 HA TRP 8 14.600 -13.791 -1.698 43 HB2 TRP 8 HB2 TRP 8 15.949 -15.390 -0.726 44 HB3 TRP 8 HB1 TRP 8 14.657 -15.943 0.354 45 HD1 TRP 8 HD1 TRP 8 16.334 -16.835 -2.976 46 HE1 TRP 8 HE1 TRP 8 15.308 -19.004 -3.828 47 HE3 TRP 8 HE3 TRP 8 12.469 -17.249 0.290 48 HZ2 TRP 8 HZ2 TRP 8 13.136 -20.663 -3.184 49 HZ3 TRP 8 HZ3 TRP 8 10.949 -19.156 0.112 50 HH2 TRP 8 HH2 TRP 8 11.287 -20.844 -1.619 51 H VAL 9 HN VAL 9 11.718 -15.439 -0.321 52 HA VAL 9 HA VAL 9 11.017 -16.689 -2.769 53 HB VAL 9 HB VAL 9 10.131 -17.417 -0.528 54 HG11 VAL 9 HG11 VAL 9 8.142 -15.119 -0.702 55 HG12 VAL 9 HG12 VAL 9 9.774 -14.789 -0.014 56 HG13 VAL 9 HG13 VAL 9 8.718 -16.039 0.737 57 HG21 VAL 9 HG21 VAL 9 8.070 -16.558 -2.648 58 HG22 VAL 9 HG22 VAL 9 7.852 -17.851 -1.404 59 HG23 VAL 9 HG23 VAL 9 9.088 -18.053 -2.706 60 H LYS 10 HN LYS 10 10.660 -13.432 -1.432 61 HA LYS 10 HA LYS 10 8.429 -12.704 -2.982 62 HB2 LYS 10 HB2 LYS 10 10.792 -11.002 -1.982 63 HB3 LYS 10 HB1 LYS 10 9.355 -10.315 -2.812 64 HG2 LYS 10 HG2 LYS 10 7.876 -11.210 -1.012 65 HG3 LYS 10 HG1 LYS 10 9.309 -11.902 -0.179 66 HD2 LYS 10 HD2 LYS 10 10.269 -9.606 0.079 67 HD3 LYS 10 HD1 LYS 10 8.841 -8.911 -0.761 68 HE2 LYS 10 HE2 LYS 10 7.345 -9.763 1.067 69 HE3 LYS 10 HE1 LYS 10 8.783 -10.474 1.912 70 HZ1 LYS 10 HZ1 LYS 10 7.784 -7.891 2.071 71 HZ2 LYS 10 HZ2 LYS 10 9.276 -7.772 1.269 72 HZ3 LYS 10 HZ3 LYS 10 9.187 -8.526 2.787 73 H CYS 11 HN CYS 11 11.819 -13.320 -3.695 74 HA CYS 11 HA CYS 11 11.804 -11.856 -6.134 75 HB2 CYS 11 HB2 CYS 11 14.035 -12.213 -5.455 76 HB3 CYS 11 HB1 CYS 11 13.660 -13.820 -4.792 77 H ARG 12 HN ARG 12 11.295 -15.236 -5.039 78 HA ARG 12 HA ARG 12 11.075 -16.379 -7.526 79 HB2 ARG 12 HB2 ARG 12 9.464 -16.981 -4.996 80 HB3 ARG 12 HB1 ARG 12 9.575 -18.041 -6.413 81 HG2 ARG 12 HG2 ARG 12 12.103 -17.162 -5.029 82 HG3 ARG 12 HG1 ARG 12 11.091 -18.458 -4.309 83 HD2 ARG 12 HD2 ARG 12 11.233 -19.735 -6.502 84 HD3 ARG 12 HD1 ARG 12 12.376 -18.458 -7.107 85 HE ARG 12 HE ARG 12 13.518 -19.181 -4.715 86 HH11 ARG 12 HH11 ARG 12 12.210 -21.006 -7.483 87 HH12 ARG 12 HH12 ARG 12 13.318 -22.328 -7.335 88 HH21 ARG 12 HH21 ARG 12 15.033 -20.991 -4.517 89 HH22 ARG 12 HH22 ARG 12 14.948 -22.319 -5.624 90 H HIS 13 HN HIS 13 8.707 -14.713 -5.427 91 HA HIS 13 HA HIS 13 6.570 -15.132 -7.268 92 HB2 HIS 13 HB2 HIS 13 5.963 -14.652 -4.955 93 HB3 HIS 13 HB1 HIS 13 6.963 -13.157 -4.955 94 HD2 HIS 13 HD2 HIS 13 5.589 -10.874 -5.629 95 HE1 HIS 13 HE1 HIS 13 2.132 -12.793 -7.129 96 HE2 HIS 13 HE2 HIS 13 3.209 -10.568 -6.530 97 H ASP 14 HN ASP 14 8.986 -12.520 -6.696 98 HA ASP 14 HA ASP 14 7.787 -10.613 -8.346 99 HB2 ASP 14 HB2 ASP 14 9.884 -10.295 -6.834 100 HB3 ASP 14 HB1 ASP 14 10.817 -11.035 -8.173 101 H CYS 15 HN CYS 15 10.319 -13.129 -9.159 102 HA CYS 15 HA CYS 15 10.222 -12.382 -11.915 103 HB2 CYS 15 HB2 CYS 15 11.219 -14.973 -10.570 104 HB3 CYS 15 HB1 CYS 15 11.398 -14.616 -12.316 105 H PHE 16 HN PHE 16 8.365 -14.476 -9.782 106 HA PHE 16 HA PHE 16 7.346 -16.154 -11.775 107 HB2 PHE 16 HB2 PHE 16 6.989 -16.567 -9.338 108 HB3 PHE 16 HB1 PHE 16 5.926 -15.124 -9.274 109 HD1 PHE 16 HD1 PHE 16 6.312 -18.165 -11.416 110 HD2 PHE 16 HD2 PHE 16 3.741 -15.577 -9.231 111 HE1 PHE 16 HE1 PHE 16 4.391 -19.570 -11.992 112 HE2 PHE 16 HE2 PHE 16 1.826 -16.992 -9.816 113 HZ PHE 16 HZ PHE 16 2.152 -18.987 -11.195 114 H THR 17 HN THR 17 6.178 -13.005 -10.410 115 HA THR 17 HA THR 17 3.900 -12.950 -12.078 116 HB THR 17 HB THR 17 3.890 -10.488 -11.679 117 HG1 THR 17 HG1 THR 17 6.454 -11.123 -10.710 118 HG21 THR 17 HG21 THR 17 3.039 -10.885 -9.605 119 HG22 THR 17 HG22 THR 17 4.643 -11.413 -8.970 120 HG23 THR 17 HG23 THR 17 3.582 -12.589 -9.835 121 H LYS 18 HN LYS 18 7.319 -11.891 -12.507 122 HA LYS 18 HA LYS 18 6.842 -10.583 -14.947 123 HB2 LYS 18 HB2 LYS 18 9.310 -11.851 -13.699 124 HB3 LYS 18 HB1 LYS 18 9.355 -11.293 -15.405 125 HG2 LYS 18 HG2 LYS 18 10.125 -9.686 -13.441 126 HG3 LYS 18 HG1 LYS 18 9.202 -9.044 -14.840 127 HD2 LYS 18 HD2 LYS 18 7.202 -8.842 -13.598 128 HD3 LYS 18 HD1 LYS 18 7.733 -10.019 -12.356 129 HE2 LYS 18 HE2 LYS 18 7.763 -7.695 -11.464 130 HE3 LYS 18 HE1 LYS 18 9.440 -8.371 -11.530 131 HZ1 LYS 18 HZ1 LYS 18 8.455 -6.057 -12.706 132 HZ2 LYS 18 HZ2 LYS 18 8.820 -7.125 -13.974 133 HZ3 LYS 18 HZ3 LYS 18 10.009 -6.728 -12.830 134 H TYR 19 HN TYR 19 7.210 -13.954 -13.952 135 HA TYR 19 HA TYR 19 7.695 -14.867 -16.610 136 HB2 TYR 19 HB2 TYR 19 8.424 -16.447 -15.046 137 HB3 TYR 19 HB1 TYR 19 7.043 -16.153 -13.949 138 HD1 TYR 19 HD1 TYR 19 7.933 -17.590 -17.260 139 HD2 TYR 19 HD2 TYR 19 5.264 -17.546 -13.966 140 HE1 TYR 19 HE1 TYR 19 6.797 -19.557 -18.166 141 HE2 TYR 19 HE2 TYR 19 4.129 -19.512 -14.872 142 HH TYR 19 HH TYR 19 3.792 -20.597 -17.122 143 H LYS 20 HN LYS 20 4.878 -14.779 -14.345 144 HA LYS 20 HA LYS 20 3.095 -15.956 -16.117 145 HB2 LYS 20 HB2 LYS 20 2.526 -13.702 -14.120 146 HB3 LYS 20 HB1 LYS 20 1.308 -14.791 -14.852 147 HG2 LYS 20 HG2 LYS 20 3.624 -15.727 -13.108 148 HG3 LYS 20 HG1 LYS 20 1.975 -15.406 -12.516 149 HD2 LYS 20 HD2 LYS 20 2.195 -17.252 -14.884 150 HD3 LYS 20 HD1 LYS 20 2.859 -17.871 -13.333 151 HE2 LYS 20 HE2 LYS 20 0.652 -17.423 -12.216 152 HE3 LYS 20 HE1 LYS 20 -0.012 -16.812 -13.787 153 HZ1 LYS 20 HZ1 LYS 20 1.170 -19.295 -14.248 154 HZ2 LYS 20 HZ2 LYS 20 -0.473 -18.871 -14.299 155 HZ3 LYS 20 HZ3 LYS 20 0.212 -19.448 -12.855 156 H SER 21 HN SER 21 4.306 -12.624 -15.720 157 HA SER 21 HA SER 21 2.469 -11.477 -17.541 158 HB2 SER 21 HB2 SER 21 3.957 -10.065 -16.033 159 HB3 SER 21 HB1 SER 21 5.382 -10.608 -17.005 160 HG SER 21 HG SER 21 3.807 -9.797 -18.803 161 H CYS 22 HN CYS 22 5.560 -13.259 -17.880 162 HA CYS 22 HA CYS 22 5.927 -12.616 -20.606 163 HB2 CYS 22 HB2 CYS 22 7.664 -13.695 -18.993 164 HB3 CYS 22 HB1 CYS 22 6.766 -15.221 -19.259 165 H GLN 23 HN GLN 23 4.135 -15.173 -18.833 166 HA GLN 23 HA GLN 23 3.526 -16.624 -21.199 167 HB2 GLN 23 HB2 GLN 23 2.497 -16.628 -18.338 168 HB3 GLN 23 HB1 GLN 23 1.460 -17.370 -19.609 169 HG2 GLN 23 HG2 GLN 23 3.667 -18.694 -20.299 170 HG3 GLN 23 HG1 GLN 23 4.225 -18.242 -18.638 171 HE21 GLN 23 HE21 GLN 23 2.066 -20.263 -20.528 172 HE22 GLN 23 HE22 GLN 23 1.325 -21.101 -19.207 173 H MET 24 HN MET 24 2.332 -13.677 -19.688 174 HA MET 24 HA MET 24 -0.193 -13.864 -21.079 175 HB2 MET 24 HB2 MET 24 1.126 -11.605 -19.496 176 HB3 MET 24 HB1 MET 24 -0.483 -11.484 -20.272 177 HG2 MET 24 HG2 MET 24 0.226 -13.629 -18.228 178 HG3 MET 24 HG1 MET 24 -0.447 -12.042 -17.785 179 HE1 MET 24 HE1 MET 24 -2.474 -15.815 -19.216 180 HE2 MET 24 HE2 MET 24 -1.296 -15.501 -17.896 181 HE3 MET 24 HE3 MET 24 -0.783 -15.352 -19.612 182 H SER 25 HN SER 25 3.064 -12.948 -21.659 183 HA SER 25 HA SER 25 2.501 -10.859 -23.487 184 HB2 SER 25 HB2 SER 25 4.947 -12.722 -23.338 185 HB3 SER 25 HB1 SER 25 4.840 -11.228 -24.356 186 HG SER 25 HG SER 25 4.289 -11.121 -21.595 187 H ASP 26 HN ASP 26 2.946 -11.049 -25.891 188 HA ASP 26 HA ASP 26 1.531 -13.390 -26.819 189 HB2 ASP 26 HB2 ASP 26 2.566 -10.879 -28.225 190 HB3 ASP 26 HB1 ASP 26 1.783 -12.243 -29.096 191 H SER 27 HN SER 27 4.486 -13.112 -25.743 192 HA SER 27 HA SER 27 5.946 -13.864 -28.100 193 HB2 SER 27 HB2 SER 27 6.758 -13.946 -25.127 194 HB3 SER 27 HB1 SER 27 7.869 -14.287 -26.515 195 HG SER 27 HG SER 27 7.980 -12.254 -26.930 196 H CYS 28 HN CYS 28 3.729 -15.289 -25.993 197 HA CYS 28 HA CYS 28 5.036 -17.865 -26.046 198 HB2 CYS 28 HB2 CYS 28 3.596 -17.128 -24.069 199 HB3 CYS 28 HB1 CYS 28 2.193 -17.134 -25.189 200 H HIS 29 HN HIS 29 5.214 -17.925 -28.450 201 HA HIS 29 HA HIS 29 2.673 -18.037 -29.832 202 HB2 HIS 29 HB2 HIS 29 5.381 -18.821 -31.017 203 HB3 HIS 29 HB1 HIS 29 3.920 -18.215 -31.886 204 HD2 HIS 29 HD2 HIS 29 6.932 -16.806 -29.706 205 HE1 HIS 29 HE1 HIS 29 4.955 -13.623 -31.665 206 HE2 HIS 29 HE2 HIS 29 6.954 -14.301 -30.247 207 H ASP 30 HN ASP 30 5.128 -20.148 -28.373 208 HA ASP 30 HA ASP 30 3.388 -22.365 -29.076 209 HB2 ASP 30 HB2 ASP 30 5.750 -22.071 -30.497 210 HB3 ASP 30 HB1 ASP 30 6.335 -22.976 -29.055 211 H GLU 31 HN GLU 31 4.305 -24.399 -27.717 212 HA GLU 31 HA GLU 31 4.152 -23.547 -25.036 213 HB2 GLU 31 HB2 GLU 31 5.017 -26.235 -26.252 214 HB3 GLU 31 HB1 GLU 31 4.835 -25.953 -24.482 215 HG2 GLU 31 HG2 GLU 31 2.406 -25.439 -24.766 216 HG3 GLU 31 HG1 GLU 31 2.565 -25.645 -26.558 217 H GLN 32 HN GLN 32 6.819 -24.445 -27.271 218 HA GLN 32 HA GLN 32 8.813 -24.541 -25.299 219 HB2 GLN 32 HB2 GLN 32 9.109 -25.323 -27.691 220 HB3 GLN 32 HB1 GLN 32 9.084 -23.608 -28.197 221 HG2 GLN 32 HG2 GLN 32 11.123 -23.127 -26.874 222 HG3 GLN 32 HG1 GLN 32 11.134 -24.828 -26.254 223 HE21 GLN 32 HE21 GLN 32 13.404 -24.226 -27.495 224 HE22 GLN 32 HE22 GLN 32 13.485 -24.857 -29.104 225 H SER 33 HN SER 33 7.392 -21.892 -27.280 226 HA SER 33 HA SER 33 9.225 -19.943 -26.452 227 HB2 SER 33 HB2 SER 33 6.254 -19.597 -27.178 228 HB3 SER 33 HB1 SER 33 7.452 -18.253 -27.034 229 HG SER 33 HG SER 33 8.521 -19.012 -28.756 230 H CYS 34 HN CYS 34 6.116 -21.179 -25.055 231 HA CYS 34 HA CYS 34 6.136 -19.257 -22.953 232 HB2 CYS 34 HB2 CYS 34 4.542 -21.686 -23.663 233 HB3 CYS 34 HB1 CYS 34 4.803 -21.496 -21.895 234 H HIS 35 HN HIS 35 7.652 -22.433 -23.555 235 HA HIS 35 HA HIS 35 8.308 -22.926 -20.850 236 HB2 HIS 35 HB2 HIS 35 8.516 -24.743 -22.538 237 HB3 HIS 35 HB1 HIS 35 9.754 -23.780 -23.420 238 HD2 HIS 35 HD2 HIS 35 12.291 -24.497 -22.762 239 HE1 HIS 35 HE1 HIS 35 11.431 -26.127 -18.955 240 HE2 HIS 35 HE2 HIS 35 13.229 -25.703 -20.703 241 H GLN 36 HN GLN 36 9.795 -21.047 -23.522 242 HA GLN 36 HA GLN 36 12.255 -20.618 -22.266 243 HB2 GLN 36 HB2 GLN 36 10.638 -18.820 -24.133 244 HB3 GLN 36 HB1 GLN 36 12.303 -18.441 -23.598 245 HG2 GLN 36 HG2 GLN 36 11.705 -21.134 -24.913 246 HG3 GLN 36 HG1 GLN 36 11.944 -19.647 -25.916 247 HE21 GLN 36 HE21 GLN 36 13.462 -21.948 -23.681 248 HE22 GLN 36 HE22 GLN 36 15.082 -21.400 -23.896 249 H CYS 37 HN CYS 37 9.051 -19.081 -21.956 250 HA CYS 37 HA CYS 37 9.932 -16.906 -20.416 251 HB2 CYS 37 HB2 CYS 37 7.277 -18.418 -20.410 252 HB3 CYS 37 HB1 CYS 37 7.571 -16.942 -19.454 253 H HIS 38 HN HIS 38 9.015 -20.250 -19.670 254 HA HIS 38 HA HIS 38 9.121 -19.854 -16.865 255 HB2 HIS 38 HB2 HIS 38 7.885 -21.784 -17.952 256 HB3 HIS 38 HB1 HIS 38 9.490 -22.459 -18.424 257 HD2 HIS 38 HD2 HIS 38 11.100 -23.335 -16.206 258 HE1 HIS 38 HE1 HIS 38 7.791 -23.408 -13.567 259 HE2 HIS 38 HE2 HIS 38 10.211 -24.120 -13.928 260 H VAL 39 HN VAL 39 11.349 -20.894 -19.425 261 HA VAL 39 HA VAL 39 13.391 -21.676 -17.648 262 HB VAL 39 HB VAL 39 13.461 -20.631 -20.508 263 HG11 VAL 39 HG11 VAL 39 15.837 -21.713 -20.382 264 HG12 VAL 39 HG12 VAL 39 15.658 -21.592 -18.590 265 HG13 VAL 39 HG13 VAL 39 15.616 -20.101 -19.606 266 HG21 VAL 39 HG21 VAL 39 14.244 -23.321 -20.404 267 HG22 VAL 39 HG22 VAL 39 12.599 -22.719 -20.832 268 HG23 VAL 39 HG23 VAL 39 12.963 -23.231 -19.136 269 H LYS 40 HN LYS 40 12.370 -18.554 -19.128 270 HA LYS 40 HA LYS 40 14.690 -17.162 -18.287 271 HB2 LYS 40 HB2 LYS 40 11.818 -16.207 -18.811 272 HB3 LYS 40 HB1 LYS 40 13.159 -15.090 -18.370 273 HG2 LYS 40 HG2 LYS 40 14.175 -15.245 -20.428 274 HG3 LYS 40 HG1 LYS 40 13.714 -16.968 -20.656 275 HD2 LYS 40 HD2 LYS 40 12.110 -16.268 -22.076 276 HD3 LYS 40 HD1 LYS 40 11.250 -15.565 -20.667 277 HE2 LYS 40 HE2 LYS 40 12.364 -13.384 -21.009 278 HE3 LYS 40 HE1 LYS 40 13.380 -14.076 -22.340 279 HZ1 LYS 40 HZ1 LYS 40 11.314 -12.800 -22.958 280 HZ2 LYS 40 HZ2 LYS 40 10.418 -14.136 -22.415 281 HZ3 LYS 40 HZ3 LYS 40 11.529 -14.318 -23.687 282 H HIS 41 HN HIS 41 11.560 -18.044 -16.830 283 HA HIS 41 HA HIS 41 11.866 -16.462 -14.537 284 HB2 HIS 41 HB2 HIS 41 9.707 -17.531 -15.044 285 HB3 HIS 41 HB1 HIS 41 10.459 -19.147 -14.936 286 HD2 HIS 41 HD2 HIS 41 9.353 -16.195 -12.495 287 HE1 HIS 41 HE1 HIS 41 10.025 -19.718 -10.287 288 HE2 HIS 41 HE2 HIS 41 9.192 -17.322 -10.207 289 H THR 42 HN THR 42 12.901 -19.771 -15.462 290 HA THR 42 HA THR 42 13.837 -20.491 -12.946 291 HB THR 42 HB THR 42 14.810 -21.280 -15.740 292 HG1 THR 42 HG1 THR 42 12.645 -21.813 -14.974 293 HG21 THR 42 HG21 THR 42 16.654 -21.873 -14.458 294 HG22 THR 42 HG22 THR 42 15.624 -23.326 -14.194 295 HG23 THR 42 HG23 THR 42 15.698 -22.032 -12.941 296 H ASP 43 HN ASP 43 15.463 -18.812 -15.742 297 HA ASP 43 HA ASP 43 17.936 -18.630 -14.332 298 HB2 ASP 43 HB2 ASP 43 16.824 -17.064 -16.728 299 HB3 ASP 43 HB1 ASP 43 18.478 -16.797 -16.063 300 H CYS 44 HN CYS 44 14.987 -16.648 -14.572 301 HA CYS 44 HA CYS 44 16.125 -14.303 -13.462 302 HB2 CYS 44 HB2 CYS 44 13.823 -14.459 -14.669 303 HB3 CYS 44 HB1 CYS 44 13.212 -15.220 -13.165 304 H VAL 45 HN VAL 45 14.626 -17.253 -12.222 305 HA VAL 45 HA VAL 45 14.603 -16.261 -9.564 306 HB VAL 45 HB VAL 45 14.027 -18.851 -10.947 307 HG11 VAL 45 HG11 VAL 45 13.947 -19.975 -8.644 308 HG12 VAL 45 HG12 VAL 45 14.836 -18.560 -7.978 309 HG13 VAL 45 HG13 VAL 45 15.613 -19.609 -9.234 310 HG21 VAL 45 HG21 VAL 45 12.005 -18.632 -9.361 311 HG22 VAL 45 HG22 VAL 45 12.182 -17.323 -10.593 312 HG23 VAL 45 HG23 VAL 45 12.664 -17.026 -8.878 313 H ASN 46 HN ASN 46 16.703 -18.264 -11.605 314 HA ASN 46 HA ASN 46 18.346 -19.134 -9.517 315 HB2 ASN 46 HB2 ASN 46 18.719 -18.729 -12.489 316 HB3 ASN 46 HB1 ASN 46 20.122 -19.152 -11.454 317 HD21 ASN 46 HD21 ASN 46 18.555 -20.630 -13.632 318 HD22 ASN 46 HD22 ASN 46 18.169 -22.155 -12.923 319 H THR 47 HN THR 47 18.211 -16.076 -11.337 320 HA THR 47 HA THR 47 20.749 -15.320 -10.116 321 HB THR 47 HB THR 47 18.933 -13.745 -11.998 322 HG1 THR 47 HG1 THR 47 19.858 -15.491 -13.016 323 HG21 THR 47 HG21 THR 47 21.182 -12.416 -12.235 324 HG22 THR 47 HG22 THR 47 21.665 -13.227 -10.697 325 HG23 THR 47 HG23 THR 47 20.210 -12.158 -10.736 326 H GLY 48 HN GLY 48 17.261 -14.385 -10.172 327 HA2 GLY 48 HA2 GLY 48 17.705 -12.247 -8.351 328 HA3 GLY 48 HA1 GLY 48 16.126 -13.014 -8.816 329 H CYS 49 HN CYS 49 16.749 -15.741 -7.995 330 HA CYS 49 HA CYS 49 17.421 -15.467 -5.185 331 HB2 CYS 49 HB2 CYS 49 15.207 -16.967 -4.804 332 HB3 CYS 49 HB1 CYS 49 15.180 -15.188 -4.649 333 HA PRO 50 HA PRO 50 19.005 -19.135 -7.609 334 HB2 PRO 50 HB2 PRO 50 21.124 -19.185 -5.626 335 HB3 PRO 50 HB1 PRO 50 21.248 -18.682 -7.366 336 HG2 PRO 50 HG2 PRO 50 20.917 -16.981 -4.881 337 HG3 PRO 50 HG1 PRO 50 21.661 -16.563 -6.478 338 HD2 PRO 50 HD2 PRO 50 19.222 -15.593 -5.734 339 HD3 PRO 50 HD1 PRO 50 19.589 -16.011 -7.450 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 11.894 -29.193 5.517 2 H2 SER 1 HT2 SER 1 10.623 -29.768 4.549 3 H3 SER 1 HT3 SER 1 11.248 -30.740 5.793 4 HA SER 1 HA SER 1 9.170 -28.890 5.898 5 HB2 SER 1 HB2 SER 1 9.433 -31.192 7.068 6 HB3 SER 1 HB1 SER 1 10.504 -30.343 8.253 7 HG SER 1 HG SER 1 8.828 -29.099 8.874 8 H SER 2 HN SER 2 10.812 -26.938 5.361 9 HA SER 2 HA SER 2 11.064 -25.582 7.888 10 HB2 SER 2 HB2 SER 2 13.362 -26.654 7.654 11 HB3 SER 2 HB1 SER 2 13.509 -25.875 6.028 12 HG SER 2 HG SER 2 13.646 -23.952 6.941 13 H THR 3 HN THR 3 10.983 -23.270 7.586 14 HA THR 3 HA THR 3 9.900 -22.595 5.030 15 HB THR 3 HB THR 3 10.662 -20.775 7.361 16 HG1 THR 3 HG1 THR 3 8.113 -20.943 7.174 17 HG21 THR 3 HG21 THR 3 10.473 -19.629 5.140 18 HG22 THR 3 HG22 THR 3 9.130 -19.158 6.245 19 HG23 THR 3 HG23 THR 3 8.832 -20.343 4.919 20 HA PRO 4 HA PRO 4 13.818 -21.684 3.256 21 HB2 PRO 4 HB2 PRO 4 12.869 -20.167 1.122 22 HB3 PRO 4 HB1 PRO 4 12.881 -21.981 1.158 23 HG2 PRO 4 HG2 PRO 4 10.602 -20.042 1.743 24 HG3 PRO 4 HG1 PRO 4 10.573 -21.625 0.864 25 HD2 PRO 4 HD2 PRO 4 9.721 -21.363 3.467 26 HD3 PRO 4 HD1 PRO 4 10.501 -22.873 2.846 27 H ASP 5 HN ASP 5 11.568 -18.865 2.916 28 HA ASP 5 HA ASP 5 13.173 -17.335 4.651 29 HB2 ASP 5 HB2 ASP 5 14.413 -17.359 2.321 30 HB3 ASP 5 HB1 ASP 5 13.048 -16.323 1.796 31 H GLY 6 HN GLY 6 12.161 -15.028 2.644 32 HA2 GLY 6 HA2 GLY 6 9.364 -15.251 2.779 33 HA3 GLY 6 HA1 GLY 6 10.049 -14.201 4.099 34 H THR 7 HN THR 7 12.419 -13.420 2.456 35 HA THR 7 HA THR 7 10.978 -11.466 0.799 36 HB THR 7 HB THR 7 13.862 -11.536 1.825 37 HG1 THR 7 HG1 THR 7 12.473 -9.328 2.346 38 HG21 THR 7 HG21 THR 7 12.411 -9.723 -0.186 39 HG22 THR 7 HG22 THR 7 14.002 -10.556 -0.358 40 HG23 THR 7 HG23 THR 7 13.839 -9.143 0.753 41 H TRP 8 HN TRP 8 13.339 -14.079 0.867 42 HA TRP 8 HA TRP 8 14.300 -13.775 -1.715 43 HB2 TRP 8 HB2 TRP 8 15.569 -15.409 -0.695 44 HB3 TRP 8 HB1 TRP 8 14.241 -15.888 0.377 45 HD1 TRP 8 HD1 TRP 8 15.926 -16.912 -2.909 46 HE1 TRP 8 HE1 TRP 8 14.825 -19.054 -3.734 47 HE3 TRP 8 HE3 TRP 8 12.006 -17.107 0.310 48 HZ2 TRP 8 HZ2 TRP 8 12.580 -20.612 -3.091 49 HZ3 TRP 8 HZ3 TRP 8 10.413 -18.955 0.145 50 HH2 TRP 8 HH2 TRP 8 10.701 -20.692 -1.549 51 H VAL 9 HN VAL 9 11.339 -15.295 -0.357 52 HA VAL 9 HA VAL 9 10.621 -16.562 -2.791 53 HB VAL 9 HB VAL 9 9.670 -17.202 -0.551 54 HG11 VAL 9 HG11 VAL 9 7.778 -14.834 -0.797 55 HG12 VAL 9 HG12 VAL 9 9.416 -14.544 -0.110 56 HG13 VAL 9 HG13 VAL 9 8.313 -15.735 0.669 57 HG21 VAL 9 HG21 VAL 9 8.633 -17.840 -2.731 58 HG22 VAL 9 HG22 VAL 9 7.678 -16.297 -2.721 59 HG23 VAL 9 HG23 VAL 9 7.389 -17.554 -1.455 60 H LYS 10 HN LYS 10 10.370 -13.267 -1.527 61 HA LYS 10 HA LYS 10 8.200 -12.490 -3.141 62 HB2 LYS 10 HB2 LYS 10 10.593 -10.855 -2.103 63 HB3 LYS 10 HB1 LYS 10 9.198 -10.133 -2.974 64 HG2 LYS 10 HG2 LYS 10 7.649 -10.959 -1.202 65 HG3 LYS 10 HG1 LYS 10 9.037 -11.692 -0.328 66 HD2 LYS 10 HD2 LYS 10 10.067 -9.428 -0.064 67 HD3 LYS 10 HD1 LYS 10 8.684 -8.693 -0.946 68 HE2 LYS 10 HE2 LYS 10 7.114 -9.478 0.850 69 HE3 LYS 10 HE1 LYS 10 8.505 -10.232 1.735 70 HZ1 LYS 10 HZ1 LYS 10 9.050 -7.527 1.060 71 HZ2 LYS 10 HZ2 LYS 10 9.015 -8.291 2.576 72 HZ3 LYS 10 HZ3 LYS 10 7.589 -7.647 1.915 73 H CYS 11 HN CYS 11 11.580 -13.243 -3.759 74 HA CYS 11 HA CYS 11 11.684 -11.811 -6.217 75 HB2 CYS 11 HB2 CYS 11 13.881 -12.246 -5.474 76 HB3 CYS 11 HB1 CYS 11 13.427 -13.830 -4.808 77 H ARG 12 HN ARG 12 11.004 -15.150 -5.089 78 HA ARG 12 HA ARG 12 10.804 -16.323 -7.565 79 HB2 ARG 12 HB2 ARG 12 9.104 -16.816 -5.070 80 HB3 ARG 12 HB1 ARG 12 9.206 -17.901 -6.468 81 HG2 ARG 12 HG2 ARG 12 11.734 -17.110 -5.035 82 HG3 ARG 12 HG1 ARG 12 10.648 -18.345 -4.316 83 HD2 ARG 12 HD2 ARG 12 10.783 -19.668 -6.482 84 HD3 ARG 12 HD1 ARG 12 11.998 -18.456 -7.081 85 HE ARG 12 HE ARG 12 13.044 -19.187 -4.647 86 HH11 ARG 12 HH11 ARG 12 11.731 -20.995 -7.423 87 HH12 ARG 12 HH12 ARG 12 12.776 -22.361 -7.227 88 HH21 ARG 12 HH21 ARG 12 14.471 -21.060 -4.382 89 HH22 ARG 12 HH22 ARG 12 14.357 -22.399 -5.472 90 H HIS 13 HN HIS 13 8.456 -14.525 -5.554 91 HA HIS 13 HA HIS 13 6.351 -14.880 -7.445 92 HB2 HIS 13 HB2 HIS 13 5.702 -14.343 -5.156 93 HB3 HIS 13 HB1 HIS 13 6.768 -12.894 -5.144 94 HD2 HIS 13 HD2 HIS 13 5.521 -10.559 -5.891 95 HE1 HIS 13 HE1 HIS 13 2.014 -12.342 -7.449 96 HE2 HIS 13 HE2 HIS 13 3.179 -10.159 -6.856 97 H ASP 14 HN ASP 14 8.862 -12.366 -6.842 98 HA ASP 14 HA ASP 14 7.787 -10.433 -8.545 99 HB2 ASP 14 HB2 ASP 14 9.878 -10.220 -6.977 100 HB3 ASP 14 HB1 ASP 14 10.794 -10.960 -8.329 101 H CYS 15 HN CYS 15 10.225 -13.067 -9.261 102 HA CYS 15 HA CYS 15 10.233 -12.353 -12.029 103 HB2 CYS 15 HB2 CYS 15 11.071 -14.972 -10.632 104 HB3 CYS 15 HB1 CYS 15 11.321 -14.636 -12.373 105 H PHE 16 HN PHE 16 8.223 -14.329 -9.922 106 HA PHE 16 HA PHE 16 7.181 -15.986 -11.920 107 HB2 PHE 16 HB2 PHE 16 6.740 -16.352 -9.492 108 HB3 PHE 16 HB1 PHE 16 5.745 -14.860 -9.471 109 HD1 PHE 16 HD1 PHE 16 6.040 -17.944 -11.570 110 HD2 PHE 16 HD2 PHE 16 3.541 -15.210 -9.482 111 HE1 PHE 16 HE1 PHE 16 4.069 -19.262 -12.180 112 HE2 PHE 16 HE2 PHE 16 1.577 -16.539 -10.102 113 HZ PHE 16 HZ PHE 16 1.841 -18.563 -11.449 114 H THR 17 HN THR 17 6.127 -12.767 -10.632 115 HA THR 17 HA THR 17 3.894 -12.631 -12.354 116 HB THR 17 HB THR 17 3.990 -10.168 -11.996 117 HG1 THR 17 HG1 THR 17 6.505 -10.898 -10.964 118 HG21 THR 17 HG21 THR 17 3.529 -12.207 -10.131 119 HG22 THR 17 HG22 THR 17 3.106 -10.466 -9.915 120 HG23 THR 17 HG23 THR 17 4.660 -11.104 -9.261 121 H LYS 18 HN LYS 18 7.369 -11.723 -12.715 122 HA LYS 18 HA LYS 18 7.013 -10.447 -15.190 123 HB2 LYS 18 HB2 LYS 18 9.387 -11.833 -13.884 124 HB3 LYS 18 HB1 LYS 18 9.490 -11.270 -15.587 125 HG2 LYS 18 HG2 LYS 18 10.308 -9.710 -13.608 126 HG3 LYS 18 HG1 LYS 18 9.435 -9.016 -15.015 127 HD2 LYS 18 HD2 LYS 18 7.443 -8.699 -13.794 128 HD3 LYS 18 HD1 LYS 18 7.873 -9.933 -12.569 129 HE2 LYS 18 HE2 LYS 18 9.603 -8.442 -11.616 130 HE3 LYS 18 HE1 LYS 18 9.266 -7.206 -12.894 131 HZ1 LYS 18 HZ1 LYS 18 8.089 -7.366 -10.469 132 HZ2 LYS 18 HZ2 LYS 18 6.922 -8.086 -11.477 133 HZ3 LYS 18 HZ3 LYS 18 7.489 -6.520 -11.816 134 H TYR 19 HN TYR 19 7.217 -13.820 -14.138 135 HA TYR 19 HA TYR 19 7.705 -14.800 -16.768 136 HB2 TYR 19 HB2 TYR 19 8.312 -16.381 -15.149 137 HB3 TYR 19 HB1 TYR 19 6.910 -16.007 -14.107 138 HD1 TYR 19 HD1 TYR 19 7.845 -17.532 -17.365 139 HD2 TYR 19 HD2 TYR 19 5.073 -17.318 -14.165 140 HE1 TYR 19 HE1 TYR 19 6.651 -19.460 -18.282 141 HE2 TYR 19 HE2 TYR 19 3.881 -19.245 -15.081 142 HH TYR 19 HH TYR 19 3.564 -20.375 -17.257 143 H LYS 20 HN LYS 20 4.835 -14.548 -14.577 144 HA LYS 20 HA LYS 20 3.042 -15.656 -16.384 145 HB2 LYS 20 HB2 LYS 20 2.535 -13.359 -14.419 146 HB3 LYS 20 HB1 LYS 20 1.283 -14.395 -15.172 147 HG2 LYS 20 HG2 LYS 20 3.512 -15.432 -13.372 148 HG3 LYS 20 HG1 LYS 20 1.871 -15.018 -12.812 149 HD2 LYS 20 HD2 LYS 20 2.046 -16.899 -15.160 150 HD3 LYS 20 HD1 LYS 20 2.631 -17.534 -13.585 151 HE2 LYS 20 HE2 LYS 20 0.423 -16.941 -12.535 152 HE3 LYS 20 HE1 LYS 20 -0.164 -16.327 -14.135 153 HZ1 LYS 20 HZ1 LYS 20 0.907 -18.890 -14.488 154 HZ2 LYS 20 HZ2 LYS 20 -0.701 -18.368 -14.648 155 HZ3 LYS 20 HZ3 LYS 20 -0.140 -18.943 -13.152 156 H SER 21 HN SER 21 4.405 -12.383 -15.987 157 HA SER 21 HA SER 21 2.669 -11.161 -17.857 158 HB2 SER 21 HB2 SER 21 4.203 -9.818 -16.330 159 HB3 SER 21 HB1 SER 21 5.613 -10.438 -17.280 160 HG SER 21 HG SER 21 4.222 -9.565 -19.128 161 H CYS 22 HN CYS 22 5.657 -13.118 -18.119 162 HA CYS 22 HA CYS 22 6.121 -12.516 -20.839 163 HB2 CYS 22 HB2 CYS 22 7.751 -13.690 -19.174 164 HB3 CYS 22 HB1 CYS 22 6.773 -15.161 -19.468 165 H GLN 23 HN GLN 23 4.150 -14.964 -19.095 166 HA GLN 23 HA GLN 23 3.501 -16.375 -21.473 167 HB2 GLN 23 HB2 GLN 23 2.255 -16.268 -18.677 168 HB3 GLN 23 HB1 GLN 23 1.438 -17.147 -20.018 169 HG2 GLN 23 HG2 GLN 23 3.750 -18.393 -20.337 170 HG3 GLN 23 HG1 GLN 23 4.117 -17.772 -18.675 171 HE21 GLN 23 HE21 GLN 23 2.189 -20.017 -20.592 172 HE22 GLN 23 HE22 GLN 23 1.387 -20.800 -19.274 173 H MET 24 HN MET 24 2.434 -13.377 -19.957 174 HA MET 24 HA MET 24 -0.075 -13.417 -21.385 175 HB2 MET 24 HB2 MET 24 1.365 -11.225 -19.812 176 HB3 MET 24 HB1 MET 24 -0.226 -11.013 -20.603 177 HG2 MET 24 HG2 MET 24 0.327 -13.181 -18.534 178 HG3 MET 24 HG1 MET 24 -0.243 -11.547 -18.107 179 HE1 MET 24 HE1 MET 24 -1.577 -14.999 -18.176 180 HE2 MET 24 HE2 MET 24 -0.633 -14.814 -19.694 181 HE3 MET 24 HE3 MET 24 -2.393 -15.170 -19.769 182 H SER 25 HN SER 25 3.244 -12.658 -21.917 183 HA SER 25 HA SER 25 2.784 -10.593 -23.807 184 HB2 SER 25 HB2 SER 25 5.182 -12.507 -23.544 185 HB3 SER 25 HB1 SER 25 5.139 -11.029 -24.590 186 HG SER 25 HG SER 25 4.544 -10.905 -21.831 187 H ASP 26 HN ASP 26 3.330 -10.873 -26.194 188 HA ASP 26 HA ASP 26 1.869 -13.195 -27.102 189 HB2 ASP 26 HB2 ASP 26 3.036 -10.763 -28.544 190 HB3 ASP 26 HB1 ASP 26 2.242 -12.129 -29.403 191 H SER 27 HN SER 27 4.787 -12.980 -25.922 192 HA SER 27 HA SER 27 6.324 -13.831 -28.190 193 HB2 SER 27 HB2 SER 27 6.985 -13.912 -25.179 194 HB3 SER 27 HB1 SER 27 8.150 -14.308 -26.507 195 HG SER 27 HG SER 27 8.541 -12.269 -26.267 196 H CYS 28 HN CYS 28 3.962 -15.137 -26.162 197 HA CYS 28 HA CYS 28 5.156 -17.770 -26.150 198 HB2 CYS 28 HB2 CYS 28 3.686 -16.955 -24.227 199 HB3 CYS 28 HB1 CYS 28 2.322 -16.897 -25.392 200 H HIS 29 HN HIS 29 5.413 -17.861 -28.543 201 HA HIS 29 HA HIS 29 2.918 -17.858 -30.012 202 HB2 HIS 29 HB2 HIS 29 5.630 -18.767 -31.094 203 HB3 HIS 29 HB1 HIS 29 4.227 -18.115 -32.022 204 HD2 HIS 29 HD2 HIS 29 7.230 -16.806 -29.775 205 HE1 HIS 29 HE1 HIS 29 5.416 -13.558 -31.787 206 HE2 HIS 29 HE2 HIS 29 7.359 -14.306 -30.326 207 H ASP 30 HN ASP 30 5.265 -20.087 -28.518 208 HA ASP 30 HA ASP 30 3.427 -22.219 -29.255 209 HB2 ASP 30 HB2 ASP 30 5.849 -22.033 -30.600 210 HB3 ASP 30 HB1 ASP 30 6.336 -22.977 -29.148 211 H GLU 31 HN GLU 31 4.235 -24.300 -27.884 212 HA GLU 31 HA GLU 31 4.020 -23.460 -25.204 213 HB2 GLU 31 HB2 GLU 31 4.842 -26.167 -26.409 214 HB3 GLU 31 HB1 GLU 31 4.608 -25.891 -24.644 215 HG2 GLU 31 HG2 GLU 31 2.208 -25.320 -24.995 216 HG3 GLU 31 HG1 GLU 31 2.418 -25.480 -26.786 217 H GLN 32 HN GLN 32 6.738 -24.453 -27.344 218 HA GLN 32 HA GLN 32 8.649 -24.604 -25.294 219 HB2 GLN 32 HB2 GLN 32 9.006 -25.427 -27.666 220 HB3 GLN 32 HB1 GLN 32 9.070 -23.718 -28.190 221 HG2 GLN 32 HG2 GLN 32 11.073 -23.301 -26.793 222 HG3 GLN 32 HG1 GLN 32 10.991 -24.992 -26.150 223 HE21 GLN 32 HE21 GLN 32 13.332 -24.490 -27.308 224 HE22 GLN 32 HE22 GLN 32 13.452 -25.151 -28.901 225 H SER 33 HN SER 33 7.402 -21.932 -27.353 226 HA SER 33 HA SER 33 9.279 -20.042 -26.490 227 HB2 SER 33 HB2 SER 33 6.343 -19.590 -27.305 228 HB3 SER 33 HB1 SER 33 7.589 -18.293 -27.145 229 HG SER 33 HG SER 33 8.690 -19.143 -28.819 230 H CYS 34 HN CYS 34 6.083 -21.142 -25.171 231 HA CYS 34 HA CYS 34 6.121 -19.196 -23.090 232 HB2 CYS 34 HB2 CYS 34 4.437 -21.543 -23.838 233 HB3 CYS 34 HB1 CYS 34 4.672 -21.391 -22.063 234 H HIS 35 HN HIS 35 7.508 -22.447 -23.611 235 HA HIS 35 HA HIS 35 8.067 -22.931 -20.882 236 HB2 HIS 35 HB2 HIS 35 8.243 -24.776 -22.543 237 HB3 HIS 35 HB1 HIS 35 9.551 -23.879 -23.395 238 HD2 HIS 35 HD2 HIS 35 12.030 -24.702 -22.649 239 HE1 HIS 35 HE1 HIS 35 10.982 -26.239 -18.852 240 HE2 HIS 35 HE2 HIS 35 12.850 -25.918 -20.547 241 H GLN 36 HN GLN 36 9.713 -21.160 -23.533 242 HA GLN 36 HA GLN 36 12.151 -20.819 -22.205 243 HB2 GLN 36 HB2 GLN 36 10.676 -18.987 -24.154 244 HB3 GLN 36 HB1 GLN 36 12.334 -18.664 -23.566 245 HG2 GLN 36 HG2 GLN 36 11.665 -21.350 -24.866 246 HG3 GLN 36 HG1 GLN 36 12.019 -19.889 -25.874 247 HE21 GLN 36 HE21 GLN 36 13.332 -22.258 -23.592 248 HE22 GLN 36 HE22 GLN 36 14.983 -21.784 -23.728 249 H CYS 37 HN CYS 37 9.009 -19.142 -22.015 250 HA CYS 37 HA CYS 37 9.938 -16.979 -20.484 251 HB2 CYS 37 HB2 CYS 37 7.222 -18.379 -20.519 252 HB3 CYS 37 HB1 CYS 37 7.553 -16.896 -19.591 253 H HIS 38 HN HIS 38 8.859 -20.269 -19.711 254 HA HIS 38 HA HIS 38 8.906 -19.832 -16.911 255 HB2 HIS 38 HB2 HIS 38 7.615 -21.723 -18.003 256 HB3 HIS 38 HB1 HIS 38 9.199 -22.475 -18.422 257 HD2 HIS 38 HD2 HIS 38 10.711 -23.387 -16.147 258 HE1 HIS 38 HE1 HIS 38 7.331 -23.280 -13.602 259 HE2 HIS 38 HE2 HIS 38 9.725 -24.101 -13.884 260 H VAL 39 HN VAL 39 11.156 -21.009 -19.392 261 HA VAL 39 HA VAL 39 13.111 -21.850 -17.548 262 HB VAL 39 HB VAL 39 13.305 -20.859 -20.420 263 HG11 VAL 39 HG11 VAL 39 15.625 -22.044 -20.216 264 HG12 VAL 39 HG12 VAL 39 15.403 -21.891 -18.431 265 HG13 VAL 39 HG13 VAL 39 15.457 -20.413 -19.464 266 HG21 VAL 39 HG21 VAL 39 12.635 -23.403 -19.027 267 HG22 VAL 39 HG22 VAL 39 13.963 -23.584 -20.239 268 HG23 VAL 39 HG23 VAL 39 12.369 -22.911 -20.744 269 H LYS 40 HN LYS 40 12.274 -18.713 -19.108 270 HA LYS 40 HA LYS 40 14.629 -17.410 -18.228 271 HB2 LYS 40 HB2 LYS 40 11.818 -16.341 -18.847 272 HB3 LYS 40 HB1 LYS 40 13.187 -15.273 -18.376 273 HG2 LYS 40 HG2 LYS 40 14.251 -15.483 -20.402 274 HG3 LYS 40 HG1 LYS 40 13.751 -17.197 -20.619 275 HD2 LYS 40 HD2 LYS 40 12.189 -16.494 -22.081 276 HD3 LYS 40 HD1 LYS 40 11.334 -15.695 -20.722 277 HE2 LYS 40 HE2 LYS 40 12.557 -13.585 -21.125 278 HE3 LYS 40 HE1 LYS 40 13.568 -14.378 -22.402 279 HZ1 LYS 40 HZ1 LYS 40 10.608 -14.289 -22.540 280 HZ2 LYS 40 HZ2 LYS 40 11.730 -14.599 -23.778 281 HZ3 LYS 40 HZ3 LYS 40 11.589 -13.035 -23.130 282 H HIS 41 HN HIS 41 11.428 -18.123 -16.838 283 HA HIS 41 HA HIS 41 11.743 -16.521 -14.563 284 HB2 HIS 41 HB2 HIS 41 9.555 -17.502 -15.105 285 HB3 HIS 41 HB1 HIS 41 10.231 -19.147 -14.963 286 HD2 HIS 41 HD2 HIS 41 9.197 -16.125 -12.582 287 HE1 HIS 41 HE1 HIS 41 9.663 -19.648 -10.322 288 HE2 HIS 41 HE2 HIS 41 8.932 -17.218 -10.287 289 H THR 42 HN THR 42 12.642 -19.894 -15.399 290 HA THR 42 HA THR 42 13.486 -20.601 -12.850 291 HB THR 42 HB THR 42 14.486 -21.495 -15.603 292 HG1 THR 42 HG1 THR 42 12.285 -21.910 -14.913 293 HG21 THR 42 HG21 THR 42 16.261 -22.174 -14.282 294 HG22 THR 42 HG22 THR 42 15.140 -23.548 -13.971 295 HG23 THR 42 HG23 THR 42 15.282 -22.209 -12.773 296 H ASP 43 HN ASP 43 15.250 -19.056 -15.636 297 HA ASP 43 HA ASP 43 17.701 -18.967 -14.183 298 HB2 ASP 43 HB2 ASP 43 16.707 -17.380 -16.617 299 HB3 ASP 43 HB1 ASP 43 18.361 -17.187 -15.926 300 H CYS 44 HN CYS 44 14.855 -16.849 -14.503 301 HA CYS 44 HA CYS 44 16.083 -14.549 -13.400 302 HB2 CYS 44 HB2 CYS 44 13.805 -14.602 -14.653 303 HB3 CYS 44 HB1 CYS 44 13.123 -15.325 -13.161 304 H VAL 45 HN VAL 45 14.417 -17.404 -12.156 305 HA VAL 45 HA VAL 45 14.387 -16.376 -9.514 306 HB VAL 45 HB VAL 45 13.724 -18.960 -10.871 307 HG11 VAL 45 HG11 VAL 45 14.463 -18.649 -7.885 308 HG12 VAL 45 HG12 VAL 45 15.233 -19.751 -9.099 309 HG13 VAL 45 HG13 VAL 45 13.534 -20.041 -8.555 310 HG21 VAL 45 HG21 VAL 45 11.661 -18.626 -9.385 311 HG22 VAL 45 HG22 VAL 45 11.958 -17.305 -10.580 312 HG23 VAL 45 HG23 VAL 45 12.385 -17.067 -8.841 313 H ASN 46 HN ASN 46 16.434 -18.498 -11.481 314 HA ASN 46 HA ASN 46 17.989 -19.419 -9.350 315 HB2 ASN 46 HB2 ASN 46 18.446 -19.064 -12.317 316 HB3 ASN 46 HB1 ASN 46 19.802 -19.545 -11.244 317 HD21 ASN 46 HD21 ASN 46 18.194 -20.962 -13.443 318 HD22 ASN 46 HD22 ASN 46 17.725 -22.460 -12.729 319 H THR 47 HN THR 47 18.043 -16.378 -11.209 320 HA THR 47 HA THR 47 20.583 -15.729 -9.929 321 HB THR 47 HB THR 47 18.899 -14.094 -11.881 322 HG1 THR 47 HG1 THR 47 19.775 -15.917 -12.829 323 HG21 THR 47 HG21 THR 47 21.623 -13.691 -10.521 324 HG22 THR 47 HG22 THR 47 20.219 -12.560 -10.592 325 HG23 THR 47 HG23 THR 47 21.204 -12.869 -12.072 326 H GLY 48 HN GLY 48 17.145 -14.632 -10.093 327 HA2 GLY 48 HA2 GLY 48 17.640 -12.488 -8.292 328 HA3 GLY 48 HA1 GLY 48 16.041 -13.191 -8.788 329 H CYS 49 HN CYS 49 16.519 -15.930 -7.911 330 HA CYS 49 HA CYS 49 17.125 -15.637 -5.089 331 HB2 CYS 49 HB2 CYS 49 14.836 -17.033 -4.749 332 HB3 CYS 49 HB1 CYS 49 14.886 -15.253 -4.618 333 HA PRO 50 HA PRO 50 18.582 -19.433 -7.396 334 HB2 PRO 50 HB2 PRO 50 20.699 -19.528 -5.426 335 HB3 PRO 50 HB1 PRO 50 20.839 -19.039 -7.168 336 HG2 PRO 50 HG2 PRO 50 20.551 -17.316 -4.688 337 HG3 PRO 50 HG1 PRO 50 21.346 -16.940 -6.273 338 HD2 PRO 50 HD2 PRO 50 18.941 -15.857 -5.589 339 HD3 PRO 50 HD1 PRO 50 19.316 -16.316 -7.293 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 9.161 -28.542 3.869 2 H2 SER 1 HT2 SER 1 8.048 -27.263 3.768 3 H3 SER 1 HT3 SER 1 7.508 -28.870 3.652 4 HA SER 1 HA SER 1 6.998 -28.574 5.783 5 HB2 SER 1 HB2 SER 1 9.101 -30.175 5.572 6 HB3 SER 1 HB1 SER 1 9.996 -28.805 6.344 7 HG SER 1 HG SER 1 9.275 -30.106 7.938 8 H SER 2 HN SER 2 9.954 -26.621 5.029 9 HA SER 2 HA SER 2 8.806 -24.584 6.793 10 HB2 SER 2 HB2 SER 2 11.798 -25.296 6.549 11 HB3 SER 2 HB1 SER 2 11.134 -23.881 7.462 12 HG SER 2 HG SER 2 9.843 -26.090 8.202 13 H THR 3 HN THR 3 9.191 -22.386 6.051 14 HA THR 3 HA THR 3 9.520 -22.339 3.212 15 HB THR 3 HB THR 3 9.367 -19.974 5.133 16 HG1 THR 3 HG1 THR 3 7.121 -20.281 3.896 17 HG21 THR 3 HG21 THR 3 10.218 -19.463 2.848 18 HG22 THR 3 HG22 THR 3 8.566 -18.781 3.082 19 HG23 THR 3 HG23 THR 3 8.792 -20.292 2.122 20 HA PRO 4 HA PRO 4 13.905 -22.021 3.206 21 HB2 PRO 4 HB2 PRO 4 13.342 -20.292 0.797 22 HB3 PRO 4 HB1 PRO 4 14.455 -21.706 0.963 23 HG2 PRO 4 HG2 PRO 4 12.087 -21.976 -0.293 24 HG3 PRO 4 HG1 PRO 4 12.706 -23.277 0.785 25 HD2 PRO 4 HD2 PRO 4 10.529 -21.213 1.297 26 HD3 PRO 4 HD1 PRO 4 10.632 -22.939 1.830 27 H ASP 5 HN ASP 5 11.994 -19.037 2.521 28 HA ASP 5 HA ASP 5 13.546 -17.689 4.489 29 HB2 ASP 5 HB2 ASP 5 14.809 -17.496 2.179 30 HB3 ASP 5 HB1 ASP 5 13.441 -16.428 1.729 31 H GLY 6 HN GLY 6 12.536 -15.221 2.673 32 HA2 GLY 6 HA2 GLY 6 9.729 -15.485 2.860 33 HA3 GLY 6 HA1 GLY 6 10.461 -14.462 4.177 34 H THR 7 HN THR 7 12.758 -13.610 2.491 35 HA THR 7 HA THR 7 11.237 -11.654 0.902 36 HB THR 7 HB THR 7 14.142 -11.660 1.871 37 HG1 THR 7 HG1 THR 7 12.614 -9.532 2.468 38 HG21 THR 7 HG21 THR 7 14.009 -9.239 0.876 39 HG22 THR 7 HG22 THR 7 12.580 -9.841 -0.047 40 HG23 THR 7 HG23 THR 7 14.196 -10.611 -0.282 41 H TRP 8 HN TRP 8 13.701 -14.180 0.882 42 HA TRP 8 HA TRP 8 14.590 -13.792 -1.714 43 HB2 TRP 8 HB2 TRP 8 15.952 -15.384 -0.746 44 HB3 TRP 8 HB1 TRP 8 14.666 -15.945 0.338 45 HD1 TRP 8 HD1 TRP 8 16.334 -16.822 -3.002 46 HE1 TRP 8 HE1 TRP 8 15.316 -18.995 -3.852 47 HE3 TRP 8 HE3 TRP 8 12.490 -17.265 0.282 48 HZ2 TRP 8 HZ2 TRP 8 13.157 -20.669 -3.200 49 HZ3 TRP 8 HZ3 TRP 8 10.979 -19.180 0.109 50 HH2 TRP 8 HH2 TRP 8 11.317 -20.862 -1.628 51 H VAL 9 HN VAL 9 11.729 -15.470 -0.320 52 HA VAL 9 HA VAL 9 11.018 -16.720 -2.763 53 HB VAL 9 HB VAL 9 10.146 -17.451 -0.520 54 HG11 VAL 9 HG11 VAL 9 8.164 -15.144 -0.676 55 HG12 VAL 9 HG12 VAL 9 9.797 -14.832 0.013 56 HG13 VAL 9 HG13 VAL 9 8.732 -16.078 0.756 57 HG21 VAL 9 HG21 VAL 9 8.067 -16.589 -2.623 58 HG22 VAL 9 HG22 VAL 9 7.857 -17.883 -1.377 59 HG23 VAL 9 HG23 VAL 9 9.084 -18.085 -2.689 60 H LYS 10 HN LYS 10 10.654 -13.464 -1.431 61 HA LYS 10 HA LYS 10 8.414 -12.751 -2.979 62 HB2 LYS 10 HB2 LYS 10 10.767 -11.016 -2.011 63 HB3 LYS 10 HB1 LYS 10 9.281 -10.361 -2.779 64 HG2 LYS 10 HG2 LYS 10 9.273 -12.050 -0.215 65 HG3 LYS 10 HG1 LYS 10 9.332 -10.255 -0.230 66 HD2 LYS 10 HD2 LYS 10 7.170 -10.240 -1.546 67 HD3 LYS 10 HD1 LYS 10 7.104 -12.031 -1.407 68 HE2 LYS 10 HE2 LYS 10 7.018 -11.834 1.099 69 HE3 LYS 10 HE1 LYS 10 7.084 -10.028 0.955 70 HZ1 LYS 10 HZ1 LYS 10 5.009 -11.677 -0.378 71 HZ2 LYS 10 HZ2 LYS 10 5.019 -10.003 -0.092 72 HZ3 LYS 10 HZ3 LYS 10 4.844 -11.086 1.204 73 H CYS 11 HN CYS 11 11.812 -13.339 -3.688 74 HA CYS 11 HA CYS 11 11.788 -11.868 -6.124 75 HB2 CYS 11 HB2 CYS 11 14.020 -12.212 -5.436 76 HB3 CYS 11 HB1 CYS 11 13.656 -13.829 -4.792 77 H ARG 12 HN ARG 12 11.300 -15.255 -5.039 78 HA ARG 12 HA ARG 12 11.092 -16.394 -7.529 79 HB2 ARG 12 HB2 ARG 12 9.478 -17.006 -5.004 80 HB3 ARG 12 HB1 ARG 12 9.592 -18.062 -6.424 81 HG2 ARG 12 HG2 ARG 12 12.115 -17.181 -5.033 82 HG3 ARG 12 HG1 ARG 12 11.107 -18.484 -4.321 83 HD2 ARG 12 HD2 ARG 12 11.255 -19.749 -6.520 84 HD3 ARG 12 HD1 ARG 12 12.396 -18.466 -7.117 85 HE ARG 12 HE ARG 12 13.534 -19.200 -4.725 86 HH11 ARG 12 HH11 ARG 12 12.240 -21.010 -7.509 87 HH12 ARG 12 HH12 ARG 12 13.353 -22.329 -7.369 88 HH21 ARG 12 HH21 ARG 12 15.055 -21.006 -4.538 89 HH22 ARG 12 HH22 ARG 12 14.978 -22.326 -5.654 90 H HIS 13 HN HIS 13 8.710 -14.746 -5.430 91 HA HIS 13 HA HIS 13 6.580 -15.166 -7.279 92 HB2 HIS 13 HB2 HIS 13 5.969 -14.693 -4.964 93 HB3 HIS 13 HB1 HIS 13 6.960 -13.192 -4.961 94 HD2 HIS 13 HD2 HIS 13 5.575 -10.917 -5.641 95 HE1 HIS 13 HE1 HIS 13 2.127 -12.856 -7.138 96 HE2 HIS 13 HE2 HIS 13 3.194 -10.624 -6.542 97 H ASP 14 HN ASP 14 8.986 -12.550 -6.693 98 HA ASP 14 HA ASP 14 7.791 -10.638 -8.337 99 HB2 ASP 14 HB2 ASP 14 9.886 -10.324 -6.823 100 HB3 ASP 14 HB1 ASP 14 10.821 -11.067 -8.160 101 H CYS 15 HN CYS 15 10.323 -13.147 -9.162 102 HA CYS 15 HA CYS 15 10.220 -12.390 -11.917 103 HB2 CYS 15 HB2 CYS 15 11.226 -14.984 -10.585 104 HB3 CYS 15 HB1 CYS 15 11.410 -14.612 -12.327 105 H PHE 16 HN PHE 16 8.370 -14.494 -9.787 106 HA PHE 16 HA PHE 16 7.356 -16.173 -11.785 107 HB2 PHE 16 HB2 PHE 16 7.008 -16.591 -9.346 108 HB3 PHE 16 HB1 PHE 16 5.933 -15.157 -9.280 109 HD1 PHE 16 HD1 PHE 16 6.339 -18.191 -11.432 110 HD2 PHE 16 HD2 PHE 16 3.754 -15.633 -9.228 111 HE1 PHE 16 HE1 PHE 16 4.429 -19.610 -12.006 112 HE2 PHE 16 HE2 PHE 16 1.851 -17.064 -9.811 113 HZ PHE 16 HZ PHE 16 2.188 -19.051 -11.199 114 H THR 17 HN THR 17 6.179 -13.033 -10.408 115 HA THR 17 HA THR 17 3.893 -12.982 -12.064 116 HB THR 17 HB THR 17 3.881 -10.520 -11.664 117 HG1 THR 17 HG1 THR 17 6.451 -11.153 -10.709 118 HG21 THR 17 HG21 THR 17 3.054 -10.906 -9.574 119 HG22 THR 17 HG22 THR 17 4.654 -11.472 -8.963 120 HG23 THR 17 HG23 THR 17 3.562 -12.617 -9.830 121 H LYS 18 HN LYS 18 7.308 -11.907 -12.510 122 HA LYS 18 HA LYS 18 6.808 -10.604 -14.950 123 HB2 LYS 18 HB2 LYS 18 9.293 -11.853 -13.717 124 HB3 LYS 18 HB1 LYS 18 9.322 -11.283 -15.421 125 HG2 LYS 18 HG2 LYS 18 10.079 -9.683 -13.438 126 HG3 LYS 18 HG1 LYS 18 9.162 -9.043 -14.842 127 HD2 LYS 18 HD2 LYS 18 7.126 -8.922 -13.609 128 HD3 LYS 18 HD1 LYS 18 7.728 -10.022 -12.329 129 HE2 LYS 18 HE2 LYS 18 7.672 -7.687 -11.505 130 HE3 LYS 18 HE1 LYS 18 9.387 -8.252 -11.626 131 HZ1 LYS 18 HZ1 LYS 18 8.797 -7.187 -14.077 132 HZ2 LYS 18 HZ2 LYS 18 9.715 -6.474 -12.840 133 HZ3 LYS 18 HZ3 LYS 18 8.058 -6.128 -12.976 134 H TYR 19 HN TYR 19 7.201 -13.970 -13.957 135 HA TYR 19 HA TYR 19 7.687 -14.878 -16.618 136 HB2 TYR 19 HB2 TYR 19 8.432 -16.452 -15.052 137 HB3 TYR 19 HB1 TYR 19 7.047 -16.173 -13.956 138 HD1 TYR 19 HD1 TYR 19 7.974 -17.616 -17.252 139 HD2 TYR 19 HD2 TYR 19 5.260 -17.562 -13.996 140 HE1 TYR 19 HE1 TYR 19 6.855 -19.588 -18.164 141 HE2 TYR 19 HE2 TYR 19 4.143 -19.534 -14.908 142 HH TYR 19 HH TYR 19 3.836 -20.652 -17.097 143 H LYS 20 HN LYS 20 4.875 -14.803 -14.346 144 HA LYS 20 HA LYS 20 3.092 -15.992 -16.114 145 HB2 LYS 20 HB2 LYS 20 2.520 -13.754 -14.102 146 HB3 LYS 20 HB1 LYS 20 1.304 -14.845 -14.835 147 HG2 LYS 20 HG2 LYS 20 3.637 -15.783 -13.116 148 HG3 LYS 20 HG1 LYS 20 1.993 -15.468 -12.505 149 HD2 LYS 20 HD2 LYS 20 2.196 -17.301 -14.887 150 HD3 LYS 20 HD1 LYS 20 2.870 -17.927 -13.344 151 HE2 LYS 20 HE2 LYS 20 0.669 -17.477 -12.209 152 HE3 LYS 20 HE1 LYS 20 -0.006 -16.873 -13.778 153 HZ1 LYS 20 HZ1 LYS 20 1.163 -19.339 -14.274 154 HZ2 LYS 20 HZ2 LYS 20 -0.487 -18.938 -14.245 155 HZ3 LYS 20 HZ3 LYS 20 0.271 -19.515 -12.840 156 H SER 21 HN SER 21 4.277 -12.647 -15.714 157 HA SER 21 HA SER 21 2.408 -11.535 -17.542 158 HB2 SER 21 HB2 SER 21 5.261 -10.614 -16.816 159 HB3 SER 21 HB1 SER 21 4.097 -9.642 -17.805 160 HG SER 21 HG SER 21 3.847 -10.512 -15.112 161 H CYS 22 HN CYS 22 5.405 -13.409 -17.858 162 HA CYS 22 HA CYS 22 5.878 -12.649 -20.557 163 HB2 CYS 22 HB2 CYS 22 7.570 -13.786 -18.925 164 HB3 CYS 22 HB1 CYS 22 6.675 -15.298 -19.274 165 H GLN 23 HN GLN 23 4.044 -15.239 -18.875 166 HA GLN 23 HA GLN 23 3.456 -16.612 -21.290 167 HB2 GLN 23 HB2 GLN 23 2.171 -16.640 -18.502 168 HB3 GLN 23 HB1 GLN 23 1.470 -17.570 -19.874 169 HG2 GLN 23 HG2 GLN 23 3.865 -18.635 -20.139 170 HG3 GLN 23 HG1 GLN 23 4.170 -17.975 -18.481 171 HE21 GLN 23 HE21 GLN 23 2.341 -20.323 -20.408 172 HE22 GLN 23 HE22 GLN 23 1.631 -21.178 -19.083 173 H MET 24 HN MET 24 2.267 -13.712 -19.686 174 HA MET 24 HA MET 24 -0.251 -13.825 -21.086 175 HB2 MET 24 HB2 MET 24 1.118 -11.603 -19.490 176 HB3 MET 24 HB1 MET 24 -0.497 -11.450 -20.250 177 HG2 MET 24 HG2 MET 24 0.204 -13.616 -18.222 178 HG3 MET 24 HG1 MET 24 -0.460 -12.025 -17.771 179 HE1 MET 24 HE1 MET 24 -2.257 -15.701 -19.680 180 HE2 MET 24 HE2 MET 24 -1.808 -15.629 -17.941 181 HE3 MET 24 HE3 MET 24 -0.580 -15.264 -19.201 182 H SER 25 HN SER 25 3.028 -12.916 -21.643 183 HA SER 25 HA SER 25 2.468 -10.829 -23.477 184 HB2 SER 25 HB2 SER 25 4.928 -12.671 -23.297 185 HB3 SER 25 HB1 SER 25 4.820 -11.183 -24.323 186 HG SER 25 HG SER 25 4.273 -11.111 -21.551 187 H ASP 26 HN ASP 26 2.963 -11.027 -25.881 188 HA ASP 26 HA ASP 26 1.557 -13.371 -26.820 189 HB2 ASP 26 HB2 ASP 26 2.617 -10.867 -28.220 190 HB3 ASP 26 HB1 ASP 26 1.848 -12.234 -29.100 191 H SER 27 HN SER 27 4.499 -13.086 -25.702 192 HA SER 27 HA SER 27 5.992 -13.853 -28.035 193 HB2 SER 27 HB2 SER 27 6.767 -13.929 -25.052 194 HB3 SER 27 HB1 SER 27 7.896 -14.257 -26.427 195 HG SER 27 HG SER 27 8.191 -12.192 -26.066 196 H CYS 28 HN CYS 28 3.751 -15.262 -25.937 197 HA CYS 28 HA CYS 28 5.054 -17.845 -25.985 198 HB2 CYS 28 HB2 CYS 28 3.635 -17.101 -23.995 199 HB3 CYS 28 HB1 CYS 28 2.221 -17.097 -25.102 200 H HIS 29 HN HIS 29 5.213 -17.926 -28.384 201 HA HIS 29 HA HIS 29 2.661 -18.008 -29.750 202 HB2 HIS 29 HB2 HIS 29 5.361 -18.821 -30.939 203 HB3 HIS 29 HB1 HIS 29 3.898 -18.226 -31.812 204 HD2 HIS 29 HD2 HIS 29 6.920 -16.792 -29.662 205 HE1 HIS 29 HE1 HIS 29 4.932 -13.631 -31.647 206 HE2 HIS 29 HE2 HIS 29 6.939 -14.293 -30.233 207 H ASP 30 HN ASP 30 5.126 -20.155 -28.336 208 HA ASP 30 HA ASP 30 3.337 -22.349 -29.001 209 HB2 ASP 30 HB2 ASP 30 5.677 -22.088 -30.463 210 HB3 ASP 30 HB1 ASP 30 6.276 -22.999 -29.031 211 H GLU 31 HN GLU 31 4.280 -24.402 -27.672 212 HA GLU 31 HA GLU 31 4.157 -23.569 -24.984 213 HB2 GLU 31 HB2 GLU 31 5.019 -26.244 -26.231 214 HB3 GLU 31 HB1 GLU 31 4.860 -25.977 -24.456 215 HG2 GLU 31 HG2 GLU 31 2.427 -25.488 -24.692 216 HG3 GLU 31 HG1 GLU 31 2.557 -25.647 -26.491 217 H GLN 32 HN GLN 32 6.809 -24.454 -27.250 218 HA GLN 32 HA GLN 32 8.819 -24.544 -25.292 219 HB2 GLN 32 HB2 GLN 32 9.098 -25.332 -27.684 220 HB3 GLN 32 HB1 GLN 32 9.067 -23.616 -28.193 221 HG2 GLN 32 HG2 GLN 32 11.115 -23.129 -26.892 222 HG3 GLN 32 HG1 GLN 32 11.132 -24.824 -26.258 223 HE21 GLN 32 HE21 GLN 32 13.394 -24.234 -27.517 224 HE22 GLN 32 HE22 GLN 32 13.465 -24.878 -29.121 225 H SER 33 HN SER 33 7.374 -21.904 -27.262 226 HA SER 33 HA SER 33 9.213 -19.951 -26.461 227 HB2 SER 33 HB2 SER 33 6.232 -19.609 -27.146 228 HB3 SER 33 HB1 SER 33 7.431 -18.265 -27.024 229 HG SER 33 HG SER 33 8.495 -19.058 -28.750 230 H CYS 34 HN CYS 34 6.120 -21.182 -25.021 231 HA CYS 34 HA CYS 34 6.177 -19.257 -22.921 232 HB2 CYS 34 HB2 CYS 34 4.555 -21.669 -23.613 233 HB3 CYS 34 HB1 CYS 34 4.841 -21.487 -21.847 234 H HIS 35 HN HIS 35 7.675 -22.436 -23.546 235 HA HIS 35 HA HIS 35 8.352 -22.944 -20.849 236 HB2 HIS 35 HB2 HIS 35 8.548 -24.750 -22.551 237 HB3 HIS 35 HB1 HIS 35 9.783 -23.781 -23.431 238 HD2 HIS 35 HD2 HIS 35 12.322 -24.506 -22.790 239 HE1 HIS 35 HE1 HIS 35 11.482 -26.156 -18.990 240 HE2 HIS 35 HE2 HIS 35 13.271 -25.724 -20.744 241 H GLN 36 HN GLN 36 9.821 -21.058 -23.523 242 HA GLN 36 HA GLN 36 12.286 -20.632 -22.274 243 HB2 GLN 36 HB2 GLN 36 10.666 -18.833 -24.138 244 HB3 GLN 36 HB1 GLN 36 12.332 -18.453 -23.605 245 HG2 GLN 36 HG2 GLN 36 11.729 -21.146 -24.922 246 HG3 GLN 36 HG1 GLN 36 11.971 -19.659 -25.923 247 HE21 GLN 36 HE21 GLN 36 13.488 -21.962 -23.689 248 HE22 GLN 36 HE22 GLN 36 15.109 -21.419 -23.905 249 H CYS 37 HN CYS 37 9.082 -19.098 -21.953 250 HA CYS 37 HA CYS 37 9.966 -16.924 -20.412 251 HB2 CYS 37 HB2 CYS 37 7.310 -18.432 -20.409 252 HB3 CYS 37 HB1 CYS 37 7.606 -16.960 -19.448 253 H HIS 38 HN HIS 38 9.045 -20.267 -19.672 254 HA HIS 38 HA HIS 38 9.149 -19.878 -16.868 255 HB2 HIS 38 HB2 HIS 38 7.920 -21.808 -17.961 256 HB3 HIS 38 HB1 HIS 38 9.525 -22.476 -18.437 257 HD2 HIS 38 HD2 HIS 38 11.139 -23.361 -16.225 258 HE1 HIS 38 HE1 HIS 38 7.831 -23.453 -13.585 259 HE2 HIS 38 HE2 HIS 38 10.251 -24.160 -13.951 260 H VAL 39 HN VAL 39 11.383 -20.905 -19.427 261 HA VAL 39 HA VAL 39 13.426 -21.680 -17.647 262 HB VAL 39 HB VAL 39 13.495 -20.641 -20.509 263 HG11 VAL 39 HG11 VAL 39 15.692 -21.597 -18.594 264 HG12 VAL 39 HG12 VAL 39 15.648 -20.106 -19.608 265 HG13 VAL 39 HG13 VAL 39 15.871 -21.722 -20.384 266 HG21 VAL 39 HG21 VAL 39 14.280 -23.331 -20.397 267 HG22 VAL 39 HG22 VAL 39 12.637 -22.729 -20.835 268 HG23 VAL 39 HG23 VAL 39 12.991 -23.237 -19.136 269 H LYS 40 HN LYS 40 12.399 -18.563 -19.141 270 HA LYS 40 HA LYS 40 14.714 -17.162 -18.300 271 HB2 LYS 40 HB2 LYS 40 11.840 -16.216 -18.829 272 HB3 LYS 40 HB1 LYS 40 13.177 -15.095 -18.390 273 HG2 LYS 40 HG2 LYS 40 14.198 -15.253 -20.446 274 HG3 LYS 40 HG1 LYS 40 13.737 -16.977 -20.672 275 HD2 LYS 40 HD2 LYS 40 12.132 -16.282 -22.092 276 HD3 LYS 40 HD1 LYS 40 11.272 -15.575 -20.686 277 HE2 LYS 40 HE2 LYS 40 12.424 -13.398 -21.030 278 HE3 LYS 40 HE1 LYS 40 13.384 -14.102 -22.396 279 HZ1 LYS 40 HZ1 LYS 40 10.427 -14.169 -22.395 280 HZ2 LYS 40 HZ2 LYS 40 11.513 -14.272 -23.697 281 HZ3 LYS 40 HZ3 LYS 40 11.283 -12.791 -22.899 282 H HIS 41 HN HIS 41 11.583 -18.043 -16.843 283 HA HIS 41 HA HIS 41 11.881 -16.454 -14.554 284 HB2 HIS 41 HB2 HIS 41 9.726 -17.529 -15.053 285 HB3 HIS 41 HB1 HIS 41 10.483 -19.144 -14.954 286 HD2 HIS 41 HD2 HIS 41 9.367 -16.206 -12.503 287 HE1 HIS 41 HE1 HIS 41 10.064 -19.731 -10.305 288 HE2 HIS 41 HE2 HIS 41 9.217 -17.340 -10.219 289 H THR 42 HN THR 42 12.922 -19.767 -15.463 290 HA THR 42 HA THR 42 13.859 -20.471 -12.945 291 HB THR 42 HB THR 42 14.829 -21.272 -15.738 292 HG1 THR 42 HG1 THR 42 12.677 -21.818 -15.002 293 HG21 THR 42 HG21 THR 42 15.738 -21.994 -12.941 294 HG22 THR 42 HG22 THR 42 16.679 -21.864 -14.472 295 HG23 THR 42 HG23 THR 42 15.645 -23.308 -14.168 296 H ASP 43 HN ASP 43 15.475 -18.797 -15.746 297 HA ASP 43 HA ASP 43 17.954 -18.606 -14.349 298 HB2 ASP 43 HB2 ASP 43 16.824 -17.041 -16.737 299 HB3 ASP 43 HB1 ASP 43 18.481 -16.771 -16.079 300 H CYS 44 HN CYS 44 15.000 -16.629 -14.573 301 HA CYS 44 HA CYS 44 16.137 -14.285 -13.465 302 HB2 CYS 44 HB2 CYS 44 13.833 -14.442 -14.664 303 HB3 CYS 44 HB1 CYS 44 13.228 -15.211 -13.162 304 H VAL 45 HN VAL 45 14.647 -17.238 -12.226 305 HA VAL 45 HA VAL 45 14.631 -16.251 -9.568 306 HB VAL 45 HB VAL 45 14.063 -18.844 -10.949 307 HG11 VAL 45 HG11 VAL 45 14.864 -18.538 -7.980 308 HG12 VAL 45 HG12 VAL 45 15.648 -19.590 -9.229 309 HG13 VAL 45 HG13 VAL 45 13.979 -19.962 -8.642 310 HG21 VAL 45 HG21 VAL 45 12.683 -17.036 -8.872 311 HG22 VAL 45 HG22 VAL 45 12.025 -18.632 -9.396 312 HG23 VAL 45 HG23 VAL 45 12.220 -17.296 -10.597 313 H ASN 46 HN ASN 46 16.730 -18.244 -11.616 314 HA ASN 46 HA ASN 46 18.379 -19.118 -9.536 315 HB2 ASN 46 HB2 ASN 46 18.748 -18.698 -12.508 316 HB3 ASN 46 HB1 ASN 46 20.151 -19.128 -11.474 317 HD21 ASN 46 HD21 ASN 46 18.556 -20.588 -13.658 318 HD22 ASN 46 HD22 ASN 46 18.177 -22.118 -12.957 319 H THR 47 HN THR 47 18.241 -16.047 -11.346 320 HA THR 47 HA THR 47 20.774 -15.292 -10.110 321 HB THR 47 HB THR 47 18.968 -13.713 -11.999 322 HG1 THR 47 HG1 THR 47 19.926 -15.485 -12.982 323 HG21 THR 47 HG21 THR 47 21.213 -12.374 -12.214 324 HG22 THR 47 HG22 THR 47 21.689 -13.187 -10.676 325 HG23 THR 47 HG23 THR 47 20.231 -12.126 -10.722 326 H GLY 48 HN GLY 48 17.283 -14.366 -10.183 327 HA2 GLY 48 HA2 GLY 48 17.710 -12.229 -8.358 328 HA3 GLY 48 HA1 GLY 48 16.137 -13.003 -8.830 329 H CYS 49 HN CYS 49 16.770 -15.729 -8.008 330 HA CYS 49 HA CYS 49 17.427 -15.449 -5.195 331 HB2 CYS 49 HB2 CYS 49 15.214 -16.957 -4.827 332 HB3 CYS 49 HB1 CYS 49 15.186 -15.178 -4.665 333 HA PRO 50 HA PRO 50 19.005 -19.135 -7.597 334 HB2 PRO 50 HB2 PRO 50 21.166 -19.160 -5.671 335 HB3 PRO 50 HB1 PRO 50 21.247 -18.640 -7.408 336 HG2 PRO 50 HG2 PRO 50 20.932 -16.966 -4.898 337 HG3 PRO 50 HG1 PRO 50 21.673 -16.531 -6.494 338 HD2 PRO 50 HD2 PRO 50 19.236 -15.572 -5.744 339 HD3 PRO 50 HD1 PRO 50 19.594 -15.992 -7.462 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 11.934 -29.209 6.134 2 H2 SER 1 HT2 SER 1 10.892 -29.940 5.008 3 H3 SER 1 HT3 SER 1 11.125 -30.650 6.533 4 HA SER 1 HA SER 1 9.278 -28.683 5.736 5 HB2 SER 1 HB2 SER 1 8.933 -30.812 7.189 6 HB3 SER 1 HB1 SER 1 9.702 -29.877 8.534 7 HG SER 1 HG SER 1 8.068 -28.436 8.463 8 H SER 2 HN SER 2 11.274 -26.990 5.506 9 HA SER 2 HA SER 2 11.149 -25.478 8.009 10 HB2 SER 2 HB2 SER 2 13.634 -25.785 6.209 11 HB3 SER 2 HB1 SER 2 13.499 -24.650 7.612 12 HG SER 2 HG SER 2 12.761 -27.138 8.318 13 H THR 3 HN THR 3 11.095 -23.150 7.685 14 HA THR 3 HA THR 3 9.990 -22.521 5.125 15 HB THR 3 HB THR 3 10.740 -20.661 7.427 16 HG1 THR 3 HG1 THR 3 8.181 -20.881 7.221 17 HG21 THR 3 HG21 THR 3 9.186 -19.078 6.295 18 HG22 THR 3 HG22 THR 3 8.894 -20.286 4.988 19 HG23 THR 3 HG23 THR 3 10.528 -19.552 5.189 20 HA PRO 4 HA PRO 4 13.898 -21.609 3.328 21 HB2 PRO 4 HB2 PRO 4 12.927 -20.114 1.182 22 HB3 PRO 4 HB1 PRO 4 12.961 -21.927 1.232 23 HG2 PRO 4 HG2 PRO 4 10.660 -20.011 1.809 24 HG3 PRO 4 HG1 PRO 4 10.647 -21.603 0.944 25 HD2 PRO 4 HD2 PRO 4 9.798 -21.330 3.544 26 HD3 PRO 4 HD1 PRO 4 10.603 -22.834 2.938 27 H ASP 5 HN ASP 5 11.634 -18.805 2.957 28 HA ASP 5 HA ASP 5 13.234 -17.249 4.675 29 HB2 ASP 5 HB2 ASP 5 14.467 -17.290 2.339 30 HB3 ASP 5 HB1 ASP 5 13.096 -16.266 1.810 31 H GLY 6 HN GLY 6 12.201 -14.968 2.648 32 HA2 GLY 6 HA2 GLY 6 9.407 -15.207 2.792 33 HA3 GLY 6 HA1 GLY 6 10.088 -14.140 4.102 34 H THR 7 HN THR 7 12.449 -13.363 2.440 35 HA THR 7 HA THR 7 10.990 -11.429 0.774 36 HB THR 7 HB THR 7 13.880 -11.477 1.787 37 HG1 THR 7 HG1 THR 7 12.509 -9.272 2.311 38 HG21 THR 7 HG21 THR 7 14.001 -10.514 -0.406 39 HG22 THR 7 HG22 THR 7 13.843 -9.095 0.697 40 HG23 THR 7 HG23 THR 7 12.409 -9.684 -0.226 41 H TRP 8 HN TRP 8 13.367 -14.029 0.853 42 HA TRP 8 HA TRP 8 14.313 -13.741 -1.736 43 HB2 TRP 8 HB2 TRP 8 15.599 -15.357 -0.710 44 HB3 TRP 8 HB1 TRP 8 14.281 -15.834 0.376 45 HD1 TRP 8 HD1 TRP 8 15.949 -16.881 -2.911 46 HE1 TRP 8 HE1 TRP 8 14.857 -19.038 -3.707 47 HE3 TRP 8 HE3 TRP 8 12.054 -17.067 0.336 48 HZ2 TRP 8 HZ2 TRP 8 12.627 -20.602 -3.031 49 HZ3 TRP 8 HZ3 TRP 8 10.473 -18.926 0.202 50 HH2 TRP 8 HH2 TRP 8 10.761 -20.679 -1.475 51 H VAL 9 HN VAL 9 11.367 -15.267 -0.349 52 HA VAL 9 HA VAL 9 10.647 -16.561 -2.768 53 HB VAL 9 HB VAL 9 9.712 -17.187 -0.517 54 HG11 VAL 9 HG11 VAL 9 8.352 -15.718 0.697 55 HG12 VAL 9 HG12 VAL 9 7.802 -14.834 -0.775 56 HG13 VAL 9 HG13 VAL 9 9.442 -14.526 -0.100 57 HG21 VAL 9 HG21 VAL 9 8.667 -17.853 -2.685 58 HG22 VAL 9 HG22 VAL 9 7.702 -16.317 -2.685 59 HG23 VAL 9 HG23 VAL 9 7.428 -17.564 -1.405 60 H LYS 10 HN LYS 10 10.380 -13.256 -1.532 61 HA LYS 10 HA LYS 10 8.196 -12.507 -3.142 62 HB2 LYS 10 HB2 LYS 10 10.588 -10.847 -2.135 63 HB3 LYS 10 HB1 LYS 10 9.181 -10.142 -3.004 64 HG2 LYS 10 HG2 LYS 10 7.650 -10.957 -1.211 65 HG3 LYS 10 HG1 LYS 10 9.048 -11.674 -0.340 66 HD2 LYS 10 HD2 LYS 10 10.069 -9.401 -0.108 67 HD3 LYS 10 HD1 LYS 10 8.676 -8.682 -0.986 68 HE2 LYS 10 HE2 LYS 10 7.124 -9.455 0.830 69 HE3 LYS 10 HE1 LYS 10 8.524 -10.193 1.712 70 HZ1 LYS 10 HZ1 LYS 10 7.620 -7.525 1.691 71 HZ2 LYS 10 HZ2 LYS 10 9.210 -7.573 1.096 72 HZ3 LYS 10 HZ3 LYS 10 8.851 -8.243 2.614 73 H CYS 11 HN CYS 11 11.579 -13.241 -3.773 74 HA CYS 11 HA CYS 11 11.659 -11.833 -6.245 75 HB2 CYS 11 HB2 CYS 11 13.864 -12.243 -5.509 76 HB3 CYS 11 HB1 CYS 11 13.424 -13.825 -4.825 77 H ARG 12 HN ARG 12 11.016 -15.167 -5.085 78 HA ARG 12 HA ARG 12 10.812 -16.363 -7.550 79 HB2 ARG 12 HB2 ARG 12 9.127 -16.850 -5.043 80 HB3 ARG 12 HB1 ARG 12 9.236 -17.948 -6.432 81 HG2 ARG 12 HG2 ARG 12 11.761 -17.117 -5.014 82 HG3 ARG 12 HG1 ARG 12 10.691 -18.356 -4.280 83 HD2 ARG 12 HD2 ARG 12 10.831 -19.697 -6.438 84 HD3 ARG 12 HD1 ARG 12 12.037 -18.481 -7.046 85 HE ARG 12 HE ARG 12 13.088 -19.184 -4.607 86 HH11 ARG 12 HH11 ARG 12 11.789 -21.025 -7.367 87 HH12 ARG 12 HH12 ARG 12 12.844 -22.382 -7.160 88 HH21 ARG 12 HH21 ARG 12 14.530 -21.043 -4.326 89 HH22 ARG 12 HH22 ARG 12 14.426 -22.392 -5.406 90 H HIS 13 HN HIS 13 8.458 -14.570 -5.542 91 HA HIS 13 HA HIS 13 6.348 -14.964 -7.419 92 HB2 HIS 13 HB2 HIS 13 5.708 -14.417 -5.130 93 HB3 HIS 13 HB1 HIS 13 6.754 -12.953 -5.138 94 HD2 HIS 13 HD2 HIS 13 5.469 -10.643 -5.890 95 HE1 HIS 13 HE1 HIS 13 1.982 -12.485 -7.420 96 HE2 HIS 13 HE2 HIS 13 3.118 -10.281 -6.846 97 H ASP 14 HN ASP 14 8.834 -12.417 -6.850 98 HA ASP 14 HA ASP 14 7.728 -10.508 -8.559 99 HB2 ASP 14 HB2 ASP 14 9.827 -10.261 -7.007 100 HB3 ASP 14 HB1 ASP 14 10.742 -11.002 -8.359 101 H CYS 15 HN CYS 15 10.194 -13.117 -9.279 102 HA CYS 15 HA CYS 15 10.175 -12.416 -12.050 103 HB2 CYS 15 HB2 CYS 15 11.054 -15.019 -10.648 104 HB3 CYS 15 HB1 CYS 15 11.288 -14.688 -12.393 105 H PHE 16 HN PHE 16 8.205 -14.414 -9.924 106 HA PHE 16 HA PHE 16 7.172 -16.090 -11.912 107 HB2 PHE 16 HB2 PHE 16 6.754 -16.455 -9.480 108 HB3 PHE 16 HB1 PHE 16 5.740 -14.976 -9.454 109 HD1 PHE 16 HD1 PHE 16 6.055 -18.048 -11.565 110 HD2 PHE 16 HD2 PHE 16 3.542 -15.366 -9.430 111 HE1 PHE 16 HE1 PHE 16 4.098 -19.394 -12.157 112 HE2 PHE 16 HE2 PHE 16 1.591 -16.722 -10.030 113 HZ PHE 16 HZ PHE 16 1.869 -18.735 -11.393 114 H THR 17 HN THR 17 6.078 -12.884 -10.619 115 HA THR 17 HA THR 17 3.833 -12.785 -12.329 116 HB THR 17 HB THR 17 3.887 -10.321 -11.964 117 HG1 THR 17 HG1 THR 17 6.415 -11.010 -10.927 118 HG21 THR 17 HG21 THR 17 4.586 -11.249 -9.235 119 HG22 THR 17 HG22 THR 17 3.475 -12.375 -10.101 120 HG23 THR 17 HG23 THR 17 3.016 -10.643 -9.881 121 H LYS 18 HN LYS 18 7.291 -11.824 -12.712 122 HA LYS 18 HA LYS 18 6.892 -10.541 -15.179 123 HB2 LYS 18 HB2 LYS 18 9.299 -11.873 -13.881 124 HB3 LYS 18 HB1 LYS 18 9.385 -11.320 -15.588 125 HG2 LYS 18 HG2 LYS 18 10.186 -9.727 -13.642 126 HG3 LYS 18 HG1 LYS 18 9.263 -9.061 -15.030 127 HD2 LYS 18 HD2 LYS 18 7.304 -8.772 -13.765 128 HD3 LYS 18 HD1 LYS 18 7.766 -10.017 -12.564 129 HE2 LYS 18 HE2 LYS 18 9.491 -8.518 -11.617 130 HE3 LYS 18 HE1 LYS 18 9.121 -7.270 -12.874 131 HZ1 LYS 18 HZ1 LYS 18 6.804 -8.188 -11.446 132 HZ2 LYS 18 HZ2 LYS 18 7.362 -6.612 -11.753 133 HZ3 LYS 18 HZ3 LYS 18 7.976 -7.489 -10.433 134 H TYR 19 HN TYR 19 7.142 -13.909 -14.142 135 HA TYR 19 HA TYR 19 7.651 -14.864 -16.783 136 HB2 TYR 19 HB2 TYR 19 8.313 -16.445 -15.195 137 HB3 TYR 19 HB1 TYR 19 6.928 -16.102 -14.119 138 HD1 TYR 19 HD1 TYR 19 7.807 -17.590 -17.412 139 HD2 TYR 19 HD2 TYR 19 5.126 -17.461 -14.130 140 HE1 TYR 19 HE1 TYR 19 6.633 -19.539 -18.308 141 HE2 TYR 19 HE2 TYR 19 3.952 -19.410 -15.026 142 HH TYR 19 HH TYR 19 4.301 -20.539 -18.139 143 H LYS 20 HN LYS 20 4.803 -14.688 -14.569 144 HA LYS 20 HA LYS 20 3.027 -15.842 -16.361 145 HB2 LYS 20 HB2 LYS 20 2.475 -13.568 -14.383 146 HB3 LYS 20 HB1 LYS 20 1.245 -14.632 -15.131 147 HG2 LYS 20 HG2 LYS 20 3.515 -15.628 -13.363 148 HG3 LYS 20 HG1 LYS 20 1.878 -15.242 -12.774 149 HD2 LYS 20 HD2 LYS 20 2.055 -17.117 -15.130 150 HD3 LYS 20 HD1 LYS 20 2.658 -17.744 -13.557 151 HE2 LYS 20 HE2 LYS 20 0.440 -17.140 -12.500 152 HE3 LYS 20 HE1 LYS 20 -0.159 -16.600 -14.122 153 HZ1 LYS 20 HZ1 LYS 20 0.950 -19.130 -14.430 154 HZ2 LYS 20 HZ2 LYS 20 -0.681 -18.670 -14.515 155 HZ3 LYS 20 HZ3 LYS 20 -0.022 -19.192 -13.040 156 H SER 21 HN SER 21 4.285 -12.520 -15.963 157 HA SER 21 HA SER 21 2.482 -11.404 -17.867 158 HB2 SER 21 HB2 SER 21 5.299 -10.475 -17.020 159 HB3 SER 21 HB1 SER 21 4.167 -9.505 -18.048 160 HG SER 21 HG SER 21 3.851 -10.366 -15.362 161 H CYS 22 HN CYS 22 5.471 -13.300 -18.047 162 HA CYS 22 HA CYS 22 6.094 -12.525 -20.710 163 HB2 CYS 22 HB2 CYS 22 7.709 -13.679 -19.043 164 HB3 CYS 22 HB1 CYS 22 6.788 -15.179 -19.369 165 H GLN 23 HN GLN 23 4.170 -15.132 -19.163 166 HA GLN 23 HA GLN 23 3.686 -16.439 -21.640 167 HB2 GLN 23 HB2 GLN 23 2.232 -16.539 -18.935 168 HB3 GLN 23 HB1 GLN 23 1.700 -17.498 -20.361 169 HG2 GLN 23 HG2 GLN 23 4.257 -18.335 -20.385 170 HG3 GLN 23 HG1 GLN 23 4.199 -17.822 -18.649 171 HE21 GLN 23 HE21 GLN 23 1.518 -18.334 -17.977 172 HE22 GLN 23 HE22 GLN 23 1.213 -20.035 -18.055 173 H MET 24 HN MET 24 2.420 -13.595 -19.995 174 HA MET 24 HA MET 24 -0.042 -13.676 -21.492 175 HB2 MET 24 HB2 MET 24 1.260 -11.502 -19.780 176 HB3 MET 24 HB1 MET 24 -0.319 -11.320 -20.605 177 HG2 MET 24 HG2 MET 24 0.286 -13.548 -18.617 178 HG3 MET 24 HG1 MET 24 -0.394 -11.972 -18.149 179 HE1 MET 24 HE1 MET 24 -2.399 -15.714 -19.337 180 HE2 MET 24 HE2 MET 24 -0.754 -15.304 -18.740 181 HE3 MET 24 HE3 MET 24 -1.103 -15.272 -20.503 182 H SER 25 HN SER 25 3.249 -12.755 -21.915 183 HA SER 25 HA SER 25 2.750 -10.615 -23.707 184 HB2 SER 25 HB2 SER 25 5.204 -12.461 -23.488 185 HB3 SER 25 HB1 SER 25 5.130 -10.950 -24.481 186 HG SER 25 HG SER 25 4.496 -10.951 -21.726 187 H ASP 26 HN ASP 26 3.367 -10.762 -26.102 188 HA ASP 26 HA ASP 26 1.953 -13.046 -27.158 189 HB2 ASP 26 HB2 ASP 26 3.172 -10.559 -28.457 190 HB3 ASP 26 HB1 ASP 26 2.405 -11.885 -29.399 191 H SER 27 HN SER 27 4.850 -12.862 -25.887 192 HA SER 27 HA SER 27 6.434 -13.659 -28.148 193 HB2 SER 27 HB2 SER 27 7.047 -13.799 -25.130 194 HB3 SER 27 HB1 SER 27 8.234 -14.153 -26.449 195 HG SER 27 HG SER 27 8.530 -12.082 -25.886 196 H CYS 28 HN CYS 28 4.040 -15.010 -26.186 197 HA CYS 28 HA CYS 28 5.249 -17.637 -26.209 198 HB2 CYS 28 HB2 CYS 28 3.762 -16.862 -24.280 199 HB3 CYS 28 HB1 CYS 28 2.406 -16.800 -25.454 200 H HIS 29 HN HIS 29 5.522 -17.694 -28.597 201 HA HIS 29 HA HIS 29 3.053 -17.641 -30.098 202 HB2 HIS 29 HB2 HIS 29 5.765 -18.609 -31.133 203 HB3 HIS 29 HB1 HIS 29 4.390 -17.934 -32.089 204 HD2 HIS 29 HD2 HIS 29 7.329 -16.657 -29.725 205 HE1 HIS 29 HE1 HIS 29 5.686 -13.411 -31.881 206 HE2 HIS 29 HE2 HIS 29 7.534 -14.169 -30.307 207 H ASP 30 HN ASP 30 5.277 -19.930 -28.532 208 HA ASP 30 HA ASP 30 3.403 -22.010 -29.306 209 HB2 ASP 30 HB2 ASP 30 5.834 -21.884 -30.650 210 HB3 ASP 30 HB1 ASP 30 6.285 -22.861 -29.208 211 H GLU 31 HN GLU 31 4.159 -24.121 -27.945 212 HA GLU 31 HA GLU 31 3.968 -23.290 -25.261 213 HB2 GLU 31 HB2 GLU 31 4.736 -26.006 -26.481 214 HB3 GLU 31 HB1 GLU 31 4.511 -25.735 -24.714 215 HG2 GLU 31 HG2 GLU 31 2.123 -25.115 -25.055 216 HG3 GLU 31 HG1 GLU 31 2.325 -25.266 -26.848 217 H GLN 32 HN GLN 32 6.661 -24.314 -27.412 218 HA GLN 32 HA GLN 32 8.577 -24.528 -25.375 219 HB2 GLN 32 HB2 GLN 32 8.914 -25.309 -27.761 220 HB3 GLN 32 HB1 GLN 32 8.998 -23.591 -28.255 221 HG2 GLN 32 HG2 GLN 32 11.012 -23.226 -26.861 222 HG3 GLN 32 HG1 GLN 32 10.912 -24.925 -26.250 223 HE21 GLN 32 HE21 GLN 32 13.252 -24.442 -27.408 224 HE22 GLN 32 HE22 GLN 32 13.356 -25.072 -29.016 225 H SER 33 HN SER 33 7.364 -21.794 -27.377 226 HA SER 33 HA SER 33 9.271 -19.952 -26.478 227 HB2 SER 33 HB2 SER 33 6.344 -19.443 -27.283 228 HB3 SER 33 HB1 SER 33 7.604 -18.165 -27.091 229 HG SER 33 HG SER 33 8.710 -19.010 -28.774 230 H CYS 34 HN CYS 34 6.058 -21.024 -25.179 231 HA CYS 34 HA CYS 34 6.126 -19.124 -23.059 232 HB2 CYS 34 HB2 CYS 34 4.436 -21.483 -23.810 233 HB3 CYS 34 HB1 CYS 34 4.637 -21.264 -22.037 234 H HIS 35 HN HIS 35 7.471 -22.384 -23.640 235 HA HIS 35 HA HIS 35 8.033 -22.920 -20.921 236 HB2 HIS 35 HB2 HIS 35 8.183 -24.741 -22.610 237 HB3 HIS 35 HB1 HIS 35 9.495 -23.845 -23.456 238 HD2 HIS 35 HD2 HIS 35 11.969 -24.705 -22.735 239 HE1 HIS 35 HE1 HIS 35 10.927 -26.288 -18.956 240 HE2 HIS 35 HE2 HIS 35 12.788 -25.962 -20.656 241 H GLN 36 HN GLN 36 9.694 -21.129 -23.551 242 HA GLN 36 HA GLN 36 12.138 -20.839 -22.227 243 HB2 GLN 36 HB2 GLN 36 10.679 -18.957 -24.140 244 HB3 GLN 36 HB1 GLN 36 12.343 -18.664 -23.552 245 HG2 GLN 36 HG2 GLN 36 11.638 -21.320 -24.894 246 HG3 GLN 36 HG1 GLN 36 12.007 -19.847 -25.879 247 HE21 GLN 36 HE21 GLN 36 13.297 -22.261 -23.626 248 HE22 GLN 36 HE22 GLN 36 14.954 -21.806 -23.766 249 H CYS 37 HN CYS 37 9.020 -19.123 -22.006 250 HA CYS 37 HA CYS 37 9.979 -16.999 -20.439 251 HB2 CYS 37 HB2 CYS 37 7.245 -18.362 -20.511 252 HB3 CYS 37 HB1 CYS 37 7.592 -16.910 -19.538 253 H HIS 38 HN HIS 38 8.864 -20.291 -19.720 254 HA HIS 38 HA HIS 38 8.912 -19.903 -16.913 255 HB2 HIS 38 HB2 HIS 38 7.613 -21.771 -18.034 256 HB3 HIS 38 HB1 HIS 38 9.193 -22.522 -18.471 257 HD2 HIS 38 HD2 HIS 38 10.709 -23.476 -16.214 258 HE1 HIS 38 HE1 HIS 38 7.330 -23.421 -13.665 259 HE2 HIS 38 HE2 HIS 38 9.725 -24.234 -13.966 260 H VAL 39 HN VAL 39 11.157 -21.054 -19.410 261 HA VAL 39 HA VAL 39 13.110 -21.924 -17.572 262 HB VAL 39 HB VAL 39 13.305 -20.918 -20.441 263 HG11 VAL 39 HG11 VAL 39 15.461 -20.490 -19.489 264 HG12 VAL 39 HG12 VAL 39 15.616 -22.122 -20.248 265 HG13 VAL 39 HG13 VAL 39 15.400 -21.972 -18.462 266 HG21 VAL 39 HG21 VAL 39 12.669 -23.486 -19.048 267 HG22 VAL 39 HG22 VAL 39 13.935 -23.632 -20.330 268 HG23 VAL 39 HG23 VAL 39 12.314 -22.956 -20.738 269 H LYS 40 HN LYS 40 12.285 -18.774 -19.116 270 HA LYS 40 HA LYS 40 14.648 -17.488 -18.227 271 HB2 LYS 40 HB2 LYS 40 11.850 -16.427 -18.904 272 HB3 LYS 40 HB1 LYS 40 13.184 -15.348 -18.361 273 HG2 LYS 40 HG2 LYS 40 14.272 -15.442 -20.367 274 HG3 LYS 40 HG1 LYS 40 13.945 -17.197 -20.583 275 HD2 LYS 40 HD2 LYS 40 12.109 -16.815 -21.868 276 HD3 LYS 40 HD1 LYS 40 11.488 -15.536 -20.772 277 HE2 LYS 40 HE2 LYS 40 11.958 -14.518 -22.950 278 HE3 LYS 40 HE1 LYS 40 13.228 -13.942 -21.795 279 HZ1 LYS 40 HZ1 LYS 40 13.442 -15.640 -24.122 280 HZ2 LYS 40 HZ2 LYS 40 14.318 -16.184 -22.772 281 HZ3 LYS 40 HZ3 LYS 40 14.583 -14.623 -23.384 282 H HIS 41 HN HIS 41 11.436 -18.193 -16.854 283 HA HIS 41 HA HIS 41 11.742 -16.585 -14.579 284 HB2 HIS 41 HB2 HIS 41 9.556 -17.566 -15.118 285 HB3 HIS 41 HB1 HIS 41 10.232 -19.212 -14.985 286 HD2 HIS 41 HD2 HIS 41 9.193 -16.203 -12.589 287 HE1 HIS 41 HE1 HIS 41 9.674 -19.734 -10.343 288 HE2 HIS 41 HE2 HIS 41 8.935 -17.306 -10.299 289 H THR 42 HN THR 42 12.654 -19.954 -15.410 290 HA THR 42 HA THR 42 13.487 -20.659 -12.856 291 HB THR 42 HB THR 42 14.501 -21.548 -15.607 292 HG1 THR 42 HG1 THR 42 12.305 -21.980 -14.935 293 HG21 THR 42 HG21 THR 42 16.277 -22.221 -14.286 294 HG22 THR 42 HG22 THR 42 15.158 -23.597 -13.969 295 HG23 THR 42 HG23 THR 42 15.298 -22.254 -12.776 296 H ASP 43 HN ASP 43 15.257 -19.105 -15.633 297 HA ASP 43 HA ASP 43 17.701 -19.004 -14.164 298 HB2 ASP 43 HB2 ASP 43 16.718 -17.430 -16.610 299 HB3 ASP 43 HB1 ASP 43 18.366 -17.230 -15.909 300 H CYS 44 HN CYS 44 14.845 -16.906 -14.507 301 HA CYS 44 HA CYS 44 16.051 -14.590 -13.413 302 HB2 CYS 44 HB2 CYS 44 13.771 -14.678 -14.670 303 HB3 CYS 44 HB1 CYS 44 13.097 -15.383 -13.166 304 H VAL 45 HN VAL 45 14.406 -17.453 -12.157 305 HA VAL 45 HA VAL 45 14.366 -16.409 -9.520 306 HB VAL 45 HB VAL 45 13.719 -19.004 -10.862 307 HG11 VAL 45 HG11 VAL 45 14.453 -18.665 -7.879 308 HG12 VAL 45 HG12 VAL 45 15.218 -19.782 -9.082 309 HG13 VAL 45 HG13 VAL 45 13.521 -20.062 -8.533 310 HG21 VAL 45 HG21 VAL 45 12.366 -17.087 -8.869 311 HG22 VAL 45 HG22 VAL 45 11.653 -18.667 -9.368 312 HG23 VAL 45 HG23 VAL 45 11.936 -17.374 -10.600 313 H ASN 46 HN ASN 46 16.420 -18.541 -11.474 314 HA ASN 46 HA ASN 46 17.978 -19.438 -9.333 315 HB2 ASN 46 HB2 ASN 46 18.439 -19.108 -12.303 316 HB3 ASN 46 HB1 ASN 46 19.789 -19.586 -11.223 317 HD21 ASN 46 HD21 ASN 46 18.196 -21.017 -13.417 318 HD22 ASN 46 HD22 ASN 46 17.713 -22.506 -12.694 319 H THR 47 HN THR 47 18.025 -16.414 -11.223 320 HA THR 47 HA THR 47 20.566 -15.745 -9.952 321 HB THR 47 HB THR 47 18.873 -14.128 -11.913 322 HG1 THR 47 HG1 THR 47 19.744 -15.955 -12.854 323 HG21 THR 47 HG21 THR 47 20.198 -12.582 -10.643 324 HG22 THR 47 HG22 THR 47 21.179 -12.905 -12.123 325 HG23 THR 47 HG23 THR 47 21.602 -13.713 -10.566 326 H GLY 48 HN GLY 48 17.124 -14.663 -10.116 327 HA2 GLY 48 HA2 GLY 48 17.617 -12.502 -8.336 328 HA3 GLY 48 HA1 GLY 48 16.018 -13.213 -8.821 329 H CYS 49 HN CYS 49 16.511 -15.945 -7.923 330 HA CYS 49 HA CYS 49 17.125 -15.629 -5.106 331 HB2 CYS 49 HB2 CYS 49 14.840 -17.024 -4.744 332 HB3 CYS 49 HB1 CYS 49 14.887 -15.242 -4.630 333 HA PRO 50 HA PRO 50 18.576 -19.441 -7.390 334 HB2 PRO 50 HB2 PRO 50 20.706 -19.520 -5.435 335 HB3 PRO 50 HB1 PRO 50 20.833 -19.036 -7.180 336 HG2 PRO 50 HG2 PRO 50 20.553 -17.304 -4.704 337 HG3 PRO 50 HG1 PRO 50 21.342 -16.934 -6.292 338 HD2 PRO 50 HD2 PRO 50 18.939 -15.851 -5.608 339 HD3 PRO 50 HD1 PRO 50 19.308 -16.319 -7.311 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 10.635 -29.518 5.011 2 H2 SER 1 HT2 SER 1 11.117 -30.601 6.229 3 H3 SER 1 HT3 SER 1 11.914 -29.110 6.054 4 HA SER 1 HA SER 1 9.152 -28.699 6.367 5 HB2 SER 1 HB2 SER 1 9.432 -30.951 7.633 6 HB3 SER 1 HB1 SER 1 10.520 -30.049 8.764 7 HG SER 1 HG SER 1 8.854 -28.787 9.361 8 H SER 2 HN SER 2 10.818 -26.792 5.712 9 HA SER 2 HA SER 2 11.097 -25.314 8.168 10 HB2 SER 2 HB2 SER 2 13.383 -26.422 7.977 11 HB3 SER 2 HB1 SER 2 13.530 -25.725 6.314 12 HG SER 2 HG SER 2 13.706 -23.764 7.130 13 H THR 3 HN THR 3 11.013 -23.026 7.752 14 HA THR 3 HA THR 3 9.953 -22.472 5.155 15 HB THR 3 HB THR 3 10.681 -20.543 7.409 16 HG1 THR 3 HG1 THR 3 8.128 -20.746 7.192 17 HG21 THR 3 HG21 THR 3 10.501 -19.516 5.123 18 HG22 THR 3 HG22 THR 3 9.164 -18.983 6.207 19 HG23 THR 3 HG23 THR 3 8.858 -20.232 4.944 20 HA PRO 4 HA PRO 4 13.885 -21.638 3.372 21 HB2 PRO 4 HB2 PRO 4 12.948 -20.146 1.204 22 HB3 PRO 4 HB1 PRO 4 12.966 -21.960 1.270 23 HG2 PRO 4 HG2 PRO 4 10.678 -20.018 1.813 24 HG3 PRO 4 HG1 PRO 4 10.658 -21.617 0.962 25 HD2 PRO 4 HD2 PRO 4 9.788 -21.319 3.549 26 HD3 PRO 4 HD1 PRO 4 10.598 -22.831 2.969 27 H ASP 5 HN ASP 5 11.662 -18.803 2.975 28 HA ASP 5 HA ASP 5 13.298 -17.256 4.670 29 HB2 ASP 5 HB2 ASP 5 14.503 -17.324 2.323 30 HB3 ASP 5 HB1 ASP 5 13.134 -16.292 1.799 31 H GLY 6 HN GLY 6 12.263 -14.979 2.634 32 HA2 GLY 6 HA2 GLY 6 9.469 -15.187 2.818 33 HA3 GLY 6 HA1 GLY 6 10.176 -14.121 4.113 34 H THR 7 HN THR 7 12.523 -13.362 2.432 35 HA THR 7 HA THR 7 11.063 -11.430 0.766 36 HB THR 7 HB THR 7 13.962 -11.488 1.754 37 HG1 THR 7 HG1 THR 7 12.777 -9.278 2.363 38 HG21 THR 7 HG21 THR 7 12.479 -9.693 -0.249 39 HG22 THR 7 HG22 THR 7 14.063 -10.535 -0.445 40 HG23 THR 7 HG23 THR 7 13.927 -9.112 0.655 41 H TRP 8 HN TRP 8 13.424 -14.042 0.840 42 HA TRP 8 HA TRP 8 14.352 -13.772 -1.757 43 HB2 TRP 8 HB2 TRP 8 15.637 -15.387 -0.729 44 HB3 TRP 8 HB1 TRP 8 14.322 -15.857 0.364 45 HD1 TRP 8 HD1 TRP 8 15.971 -16.913 -2.932 46 HE1 TRP 8 HE1 TRP 8 14.869 -19.071 -3.717 47 HE3 TRP 8 HE3 TRP 8 12.094 -17.088 0.340 48 HZ2 TRP 8 HZ2 TRP 8 12.641 -20.631 -3.024 49 HZ3 TRP 8 HZ3 TRP 8 10.508 -18.944 0.217 50 HH2 TRP 8 HH2 TRP 8 10.784 -20.700 -1.457 51 H VAL 9 HN VAL 9 11.411 -15.282 -0.341 52 HA VAL 9 HA VAL 9 10.669 -16.577 -2.752 53 HB VAL 9 HB VAL 9 9.751 -17.201 -0.493 54 HG11 VAL 9 HG11 VAL 9 7.845 -14.842 -0.738 55 HG12 VAL 9 HG12 VAL 9 9.490 -14.540 -0.071 56 HG13 VAL 9 HG13 VAL 9 8.400 -15.729 0.730 57 HG21 VAL 9 HG21 VAL 9 7.458 -17.569 -1.364 58 HG22 VAL 9 HG22 VAL 9 8.688 -17.870 -2.649 59 HG23 VAL 9 HG23 VAL 9 7.730 -16.329 -2.648 60 H LYS 10 HN LYS 10 10.418 -13.272 -1.515 61 HA LYS 10 HA LYS 10 8.225 -12.517 -3.108 62 HB2 LYS 10 HB2 LYS 10 10.627 -10.864 -2.123 63 HB3 LYS 10 HB1 LYS 10 9.218 -10.156 -2.982 64 HG2 LYS 10 HG2 LYS 10 7.697 -10.963 -1.179 65 HG3 LYS 10 HG1 LYS 10 9.098 -11.681 -0.315 66 HD2 LYS 10 HD2 LYS 10 10.127 -9.410 -0.096 67 HD3 LYS 10 HD1 LYS 10 8.729 -8.690 -0.967 68 HE2 LYS 10 HE2 LYS 10 7.188 -9.456 0.862 69 HE3 LYS 10 HE1 LYS 10 8.594 -10.193 1.738 70 HZ1 LYS 10 HZ1 LYS 10 9.155 -7.511 1.033 71 HZ2 LYS 10 HZ2 LYS 10 9.075 -8.241 2.564 72 HZ3 LYS 10 HZ3 LYS 10 7.674 -7.589 1.857 73 H CYS 11 HN CYS 11 11.594 -13.270 -3.767 74 HA CYS 11 HA CYS 11 11.661 -11.861 -6.239 75 HB2 CYS 11 HB2 CYS 11 13.870 -12.278 -5.519 76 HB3 CYS 11 HB1 CYS 11 13.431 -13.858 -4.831 77 H ARG 12 HN ARG 12 11.010 -15.189 -5.068 78 HA ARG 12 HA ARG 12 10.787 -16.392 -7.529 79 HB2 ARG 12 HB2 ARG 12 9.117 -16.864 -5.010 80 HB3 ARG 12 HB1 ARG 12 9.210 -17.966 -6.397 81 HG2 ARG 12 HG2 ARG 12 11.747 -17.143 -4.997 82 HG3 ARG 12 HG1 ARG 12 10.678 -18.381 -4.258 83 HD2 ARG 12 HD2 ARG 12 10.803 -19.724 -6.409 84 HD3 ARG 12 HD1 ARG 12 12.000 -18.507 -7.036 85 HE ARG 12 HE ARG 12 13.077 -19.205 -4.603 86 HH11 ARG 12 HH11 ARG 12 11.765 -21.045 -7.357 87 HH12 ARG 12 HH12 ARG 12 12.825 -22.399 -7.160 88 HH21 ARG 12 HH21 ARG 12 14.527 -21.059 -4.336 89 HH22 ARG 12 HH22 ARG 12 14.421 -22.407 -5.417 90 H HIS 13 HN HIS 13 8.450 -14.583 -5.514 91 HA HIS 13 HA HIS 13 6.331 -14.971 -7.387 92 HB2 HIS 13 HB2 HIS 13 5.692 -14.428 -5.098 93 HB3 HIS 13 HB1 HIS 13 6.749 -12.972 -5.099 94 HD2 HIS 13 HD2 HIS 13 5.478 -10.650 -5.837 95 HE1 HIS 13 HE1 HIS 13 1.981 -12.460 -7.382 96 HE2 HIS 13 HE2 HIS 13 3.130 -10.269 -6.793 97 H ASP 14 HN ASP 14 8.829 -12.438 -6.817 98 HA ASP 14 HA ASP 14 7.729 -10.518 -8.519 99 HB2 ASP 14 HB2 ASP 14 9.801 -10.234 -6.980 100 HB3 ASP 14 HB1 ASP 14 10.736 -11.058 -8.269 101 H CYS 15 HN CYS 15 10.176 -13.140 -9.244 102 HA CYS 15 HA CYS 15 10.161 -12.434 -12.013 103 HB2 CYS 15 HB2 CYS 15 11.024 -15.042 -10.610 104 HB3 CYS 15 HB1 CYS 15 11.254 -14.718 -12.356 105 H PHE 16 HN PHE 16 8.180 -14.425 -9.889 106 HA PHE 16 HA PHE 16 7.136 -16.087 -11.881 107 HB2 PHE 16 HB2 PHE 16 6.710 -16.456 -9.450 108 HB3 PHE 16 HB1 PHE 16 5.709 -14.967 -9.422 109 HD1 PHE 16 HD1 PHE 16 6.004 -18.042 -11.535 110 HD2 PHE 16 HD2 PHE 16 3.508 -15.335 -9.408 111 HE1 PHE 16 HE1 PHE 16 4.035 -19.369 -12.136 112 HE2 PHE 16 HE2 PHE 16 1.546 -16.673 -10.018 113 HZ PHE 16 HZ PHE 16 1.810 -18.688 -11.380 114 H THR 17 HN THR 17 6.066 -12.876 -10.583 115 HA THR 17 HA THR 17 3.825 -12.755 -12.297 116 HB THR 17 HB THR 17 3.902 -10.292 -11.931 117 HG1 THR 17 HG1 THR 17 6.429 -11.008 -10.928 118 HG21 THR 17 HG21 THR 17 4.577 -11.199 -9.197 119 HG22 THR 17 HG22 THR 17 3.492 -12.353 -10.059 120 HG23 THR 17 HG23 THR 17 3.004 -10.627 -9.866 121 H LYS 18 HN LYS 18 7.291 -11.831 -12.671 122 HA LYS 18 HA LYS 18 6.917 -10.540 -15.136 123 HB2 LYS 18 HB2 LYS 18 9.305 -11.901 -13.830 124 HB3 LYS 18 HB1 LYS 18 9.403 -11.363 -15.541 125 HG2 LYS 18 HG2 LYS 18 10.207 -9.771 -13.577 126 HG3 LYS 18 HG1 LYS 18 9.343 -9.104 -15.002 127 HD2 LYS 18 HD2 LYS 18 7.324 -8.812 -13.804 128 HD3 LYS 18 HD1 LYS 18 7.793 -9.980 -12.529 129 HE2 LYS 18 HE2 LYS 18 7.896 -7.644 -11.679 130 HE3 LYS 18 HE1 LYS 18 9.550 -8.376 -11.715 131 HZ1 LYS 18 HZ1 LYS 18 8.833 -6.019 -12.800 132 HZ2 LYS 18 HZ2 LYS 18 8.793 -7.043 -14.154 133 HZ3 LYS 18 HZ3 LYS 18 10.205 -6.924 -13.221 134 H TYR 19 HN TYR 19 7.141 -13.916 -14.103 135 HA TYR 19 HA TYR 19 7.630 -14.876 -16.741 136 HB2 TYR 19 HB2 TYR 19 8.254 -16.469 -15.145 137 HB3 TYR 19 HB1 TYR 19 6.863 -16.106 -14.083 138 HD1 TYR 19 HD1 TYR 19 7.745 -17.590 -17.377 139 HD2 TYR 19 HD2 TYR 19 5.046 -17.440 -14.113 140 HE1 TYR 19 HE1 TYR 19 6.546 -19.513 -18.297 141 HE2 TYR 19 HE2 TYR 19 3.846 -19.364 -15.030 142 HH TYR 19 HH TYR 19 3.495 -20.435 -17.288 143 H LYS 20 HN LYS 20 4.772 -14.658 -14.536 144 HA LYS 20 HA LYS 20 2.980 -15.772 -16.339 145 HB2 LYS 20 HB2 LYS 20 2.460 -13.483 -14.367 146 HB3 LYS 20 HB1 LYS 20 1.215 -14.531 -15.115 147 HG2 LYS 20 HG2 LYS 20 3.464 -15.548 -13.325 148 HG3 LYS 20 HG1 LYS 20 1.822 -15.147 -12.755 149 HD2 LYS 20 HD2 LYS 20 1.991 -17.025 -15.105 150 HD3 LYS 20 HD1 LYS 20 2.604 -17.657 -13.540 151 HE2 LYS 20 HE2 LYS 20 0.407 -17.098 -12.457 152 HE3 LYS 20 HE1 LYS 20 -0.210 -16.475 -14.042 153 HZ1 LYS 20 HZ1 LYS 20 0.714 -18.904 -14.697 154 HZ2 LYS 20 HZ2 LYS 20 -0.893 -18.551 -14.273 155 HZ3 LYS 20 HZ3 LYS 20 0.173 -19.184 -13.112 156 H SER 21 HN SER 21 4.317 -12.488 -15.936 157 HA SER 21 HA SER 21 2.565 -11.282 -17.804 158 HB2 SER 21 HB2 SER 21 4.065 -9.918 -16.264 159 HB3 SER 21 HB1 SER 21 5.493 -10.517 -17.198 160 HG SER 21 HG SER 21 4.067 -9.659 -19.053 161 H CYS 22 HN CYS 22 5.592 -13.184 -18.064 162 HA CYS 22 HA CYS 22 6.058 -12.558 -20.780 163 HB2 CYS 22 HB2 CYS 22 7.708 -13.706 -19.128 164 HB3 CYS 22 HB1 CYS 22 6.752 -15.194 -19.407 165 H GLN 23 HN GLN 23 4.120 -15.050 -19.065 166 HA GLN 23 HA GLN 23 3.520 -16.468 -21.449 167 HB2 GLN 23 HB2 GLN 23 2.429 -16.442 -18.616 168 HB3 GLN 23 HB1 GLN 23 1.370 -17.108 -19.910 169 HG2 GLN 23 HG2 GLN 23 3.421 -18.599 -20.595 170 HG3 GLN 23 HG1 GLN 23 4.113 -18.130 -18.989 171 HE21 GLN 23 HE21 GLN 23 1.898 -20.215 -20.642 172 HE22 GLN 23 HE22 GLN 23 1.122 -20.905 -19.257 173 H MET 24 HN MET 24 2.385 -13.483 -19.957 174 HA MET 24 HA MET 24 -0.087 -13.567 -21.454 175 HB2 MET 24 HB2 MET 24 1.228 -11.364 -19.791 176 HB3 MET 24 HB1 MET 24 -0.354 -11.205 -20.612 177 HG2 MET 24 HG2 MET 24 0.264 -13.373 -18.563 178 HG3 MET 24 HG1 MET 24 -0.421 -11.785 -18.139 179 HE1 MET 24 HE1 MET 24 -2.415 -15.569 -19.178 180 HE2 MET 24 HE2 MET 24 -0.761 -15.129 -18.628 181 HE3 MET 24 HE3 MET 24 -1.143 -15.169 -20.384 182 H SER 25 HN SER 25 3.220 -12.739 -21.870 183 HA SER 25 HA SER 25 2.794 -10.612 -23.693 184 HB2 SER 25 HB2 SER 25 5.192 -12.526 -23.439 185 HB3 SER 25 HB1 SER 25 5.167 -11.022 -24.447 186 HG SER 25 HG SER 25 4.494 -10.951 -21.707 187 H ASP 26 HN ASP 26 3.379 -10.791 -26.075 188 HA ASP 26 HA ASP 26 1.953 -13.083 -27.103 189 HB2 ASP 26 HB2 ASP 26 3.132 -10.588 -28.421 190 HB3 ASP 26 HB1 ASP 26 2.369 -11.924 -29.352 191 H SER 27 HN SER 27 4.845 -12.905 -25.859 192 HA SER 27 HA SER 27 6.429 -13.658 -28.129 193 HB2 SER 27 HB2 SER 27 7.035 -13.850 -25.112 194 HB3 SER 27 HB1 SER 27 8.226 -14.189 -26.432 195 HG SER 27 HG SER 27 8.566 -12.142 -25.945 196 H CYS 28 HN CYS 28 4.033 -15.053 -26.204 197 HA CYS 28 HA CYS 28 5.245 -17.676 -26.258 198 HB2 CYS 28 HB2 CYS 28 3.730 -16.956 -24.340 199 HB3 CYS 28 HB1 CYS 28 2.392 -16.839 -25.532 200 H HIS 29 HN HIS 29 5.561 -17.671 -28.649 201 HA HIS 29 HA HIS 29 3.103 -17.639 -30.177 202 HB2 HIS 29 HB2 HIS 29 5.844 -18.505 -31.221 203 HB3 HIS 29 HB1 HIS 29 4.462 -17.823 -32.161 204 HD2 HIS 29 HD2 HIS 29 7.389 -16.585 -29.771 205 HE1 HIS 29 HE1 HIS 29 5.654 -13.281 -31.761 206 HE2 HIS 29 HE2 HIS 29 7.537 -14.070 -30.247 207 H ASP 30 HN ASP 30 5.385 -19.894 -28.653 208 HA ASP 30 HA ASP 30 3.590 -22.014 -29.507 209 HB2 ASP 30 HB2 ASP 30 6.029 -21.786 -30.804 210 HB3 ASP 30 HB1 ASP 30 6.504 -22.753 -29.362 211 H GLU 31 HN GLU 31 4.359 -24.125 -28.171 212 HA GLU 31 HA GLU 31 4.101 -23.352 -25.472 213 HB2 GLU 31 HB2 GLU 31 4.923 -26.032 -26.736 214 HB3 GLU 31 HB1 GLU 31 4.662 -25.801 -24.967 215 HG2 GLU 31 HG2 GLU 31 2.274 -25.209 -25.336 216 HG3 GLU 31 HG1 GLU 31 2.509 -25.305 -27.129 217 H GLN 32 HN GLN 32 6.842 -24.286 -27.599 218 HA GLN 32 HA GLN 32 8.729 -24.535 -25.541 219 HB2 GLN 32 HB2 GLN 32 9.076 -25.224 -27.972 220 HB3 GLN 32 HB1 GLN 32 9.197 -23.486 -28.374 221 HG2 GLN 32 HG2 GLN 32 11.463 -24.408 -28.161 222 HG3 GLN 32 HG1 GLN 32 11.154 -23.293 -26.772 223 HE21 GLN 32 HE21 GLN 32 12.136 -24.145 -24.998 224 HE22 GLN 32 HE22 GLN 32 12.011 -25.786 -24.466 225 H SER 33 HN SER 33 7.535 -21.757 -27.503 226 HA SER 33 HA SER 33 9.397 -19.924 -26.487 227 HB2 SER 33 HB2 SER 33 6.506 -19.411 -27.414 228 HB3 SER 33 HB1 SER 33 7.752 -18.131 -27.143 229 HG SER 33 HG SER 33 8.893 -18.872 -28.817 230 H CYS 34 HN CYS 34 6.151 -21.061 -25.349 231 HA CYS 34 HA CYS 34 6.076 -19.189 -23.209 232 HB2 CYS 34 HB2 CYS 34 4.469 -21.540 -24.091 233 HB3 CYS 34 HB1 CYS 34 4.635 -21.443 -22.305 234 H HIS 35 HN HIS 35 7.508 -22.427 -23.745 235 HA HIS 35 HA HIS 35 7.989 -22.937 -21.004 236 HB2 HIS 35 HB2 HIS 35 8.209 -24.767 -22.674 237 HB3 HIS 35 HB1 HIS 35 9.538 -23.863 -23.485 238 HD2 HIS 35 HD2 HIS 35 11.996 -24.689 -22.681 239 HE1 HIS 35 HE1 HIS 35 10.852 -26.262 -18.928 240 HE2 HIS 35 HE2 HIS 35 12.762 -25.926 -20.570 241 H GLN 36 HN GLN 36 9.700 -21.130 -23.587 242 HA GLN 36 HA GLN 36 12.108 -20.809 -22.206 243 HB2 GLN 36 HB2 GLN 36 10.668 -18.949 -24.151 244 HB3 GLN 36 HB1 GLN 36 12.312 -18.629 -23.523 245 HG2 GLN 36 HG2 GLN 36 11.683 -21.296 -24.879 246 HG3 GLN 36 HG1 GLN 36 12.052 -19.818 -25.855 247 HE21 GLN 36 HE21 GLN 36 13.329 -22.233 -23.613 248 HE22 GLN 36 HE22 GLN 36 14.979 -21.743 -23.694 249 H CYS 37 HN CYS 37 8.959 -19.150 -22.027 250 HA CYS 37 HA CYS 37 9.858 -17.000 -20.462 251 HB2 CYS 37 HB2 CYS 37 7.153 -18.421 -20.542 252 HB3 CYS 37 HB1 CYS 37 7.463 -16.955 -19.579 253 H HIS 38 HN HIS 38 8.797 -20.310 -19.732 254 HA HIS 38 HA HIS 38 8.831 -19.900 -16.926 255 HB2 HIS 38 HB2 HIS 38 7.548 -21.784 -18.040 256 HB3 HIS 38 HB1 HIS 38 9.135 -22.527 -18.463 257 HD2 HIS 38 HD2 HIS 38 10.646 -23.451 -16.189 258 HE1 HIS 38 HE1 HIS 38 7.254 -23.394 -13.657 259 HE2 HIS 38 HE2 HIS 38 9.655 -24.196 -13.940 260 H VAL 39 HN VAL 39 11.091 -21.050 -19.411 261 HA VAL 39 HA VAL 39 13.043 -21.898 -17.564 262 HB VAL 39 HB VAL 39 13.246 -20.896 -20.432 263 HG11 VAL 39 HG11 VAL 39 15.336 -21.920 -18.433 264 HG12 VAL 39 HG12 VAL 39 15.394 -20.450 -19.477 265 HG13 VAL 39 HG13 VAL 39 15.566 -22.089 -20.214 266 HG21 VAL 39 HG21 VAL 39 12.608 -23.461 -19.041 267 HG22 VAL 39 HG22 VAL 39 13.900 -23.611 -20.297 268 HG23 VAL 39 HG23 VAL 39 12.283 -22.945 -20.741 269 H LYS 40 HN LYS 40 12.196 -18.758 -19.104 270 HA LYS 40 HA LYS 40 14.548 -17.453 -18.227 271 HB2 LYS 40 HB2 LYS 40 11.731 -16.407 -18.856 272 HB3 LYS 40 HB1 LYS 40 13.073 -15.323 -18.344 273 HG2 LYS 40 HG2 LYS 40 14.157 -15.456 -20.360 274 HG3 LYS 40 HG1 LYS 40 13.739 -17.189 -20.600 275 HD2 LYS 40 HD2 LYS 40 12.090 -16.604 -22.020 276 HD3 LYS 40 HD1 LYS 40 11.276 -15.681 -20.714 277 HE2 LYS 40 HE2 LYS 40 11.631 -14.102 -22.502 278 HE3 LYS 40 HE1 LYS 40 12.925 -13.733 -21.291 279 HZ1 LYS 40 HZ1 LYS 40 13.130 -14.672 -23.981 280 HZ2 LYS 40 HZ2 LYS 40 14.004 -15.649 -22.902 281 HZ3 LYS 40 HZ3 LYS 40 14.300 -13.978 -22.965 282 H HIS 41 HN HIS 41 11.358 -18.192 -16.826 283 HA HIS 41 HA HIS 41 11.677 -16.597 -14.544 284 HB2 HIS 41 HB2 HIS 41 9.492 -17.588 -15.080 285 HB3 HIS 41 HB1 HIS 41 10.178 -19.229 -14.943 286 HD2 HIS 41 HD2 HIS 41 9.144 -16.213 -12.552 287 HE1 HIS 41 HE1 HIS 41 9.634 -19.737 -10.300 288 HE2 HIS 41 HE2 HIS 41 8.896 -17.310 -10.257 289 H THR 42 HN THR 42 12.589 -19.960 -15.404 290 HA THR 42 HA THR 42 13.450 -20.678 -12.864 291 HB THR 42 HB THR 42 14.438 -21.551 -15.629 292 HG1 THR 42 HG1 THR 42 12.243 -21.983 -14.914 293 HG21 THR 42 HG21 THR 42 15.121 -23.608 -14.021 294 HG22 THR 42 HG22 THR 42 15.254 -22.283 -12.807 295 HG23 THR 42 HG23 THR 42 16.227 -22.222 -14.320 296 H ASP 43 HN ASP 43 15.193 -19.113 -15.653 297 HA ASP 43 HA ASP 43 17.648 -19.016 -14.206 298 HB2 ASP 43 HB2 ASP 43 16.642 -17.437 -16.640 299 HB3 ASP 43 HB1 ASP 43 18.296 -17.234 -15.952 300 H CYS 44 HN CYS 44 14.789 -16.918 -14.516 301 HA CYS 44 HA CYS 44 16.005 -14.606 -13.424 302 HB2 CYS 44 HB2 CYS 44 13.719 -14.684 -14.664 303 HB3 CYS 44 HB1 CYS 44 13.053 -15.401 -13.162 304 H VAL 45 HN VAL 45 14.370 -17.473 -12.165 305 HA VAL 45 HA VAL 45 14.350 -16.440 -9.523 306 HB VAL 45 HB VAL 45 13.692 -19.029 -10.871 307 HG11 VAL 45 HG11 VAL 45 13.528 -20.109 -8.552 308 HG12 VAL 45 HG12 VAL 45 14.453 -18.713 -7.890 309 HG13 VAL 45 HG13 VAL 45 15.221 -19.811 -9.110 310 HG21 VAL 45 HG21 VAL 45 12.362 -17.125 -8.850 311 HG22 VAL 45 HG22 VAL 45 11.645 -18.704 -9.346 312 HG23 VAL 45 HG23 VAL 45 11.910 -17.405 -10.576 313 H ASN 46 HN ASN 46 16.392 -18.557 -11.503 314 HA ASN 46 HA ASN 46 17.972 -19.460 -9.380 315 HB2 ASN 46 HB2 ASN 46 18.401 -19.115 -12.355 316 HB3 ASN 46 HB1 ASN 46 19.767 -19.588 -11.290 317 HD21 ASN 46 HD21 ASN 46 18.155 -21.021 -13.473 318 HD22 ASN 46 HD22 ASN 46 17.695 -22.518 -12.749 319 H THR 47 HN THR 47 17.991 -16.429 -11.257 320 HA THR 47 HA THR 47 20.539 -15.758 -10.006 321 HB THR 47 HB THR 47 18.828 -14.143 -11.951 322 HG1 THR 47 HG1 THR 47 19.696 -15.962 -12.904 323 HG21 THR 47 HG21 THR 47 21.563 -13.723 -10.620 324 HG22 THR 47 HG22 THR 47 20.156 -12.595 -10.688 325 HG23 THR 47 HG23 THR 47 21.130 -12.914 -12.173 326 H GLY 48 HN GLY 48 17.094 -14.682 -10.144 327 HA2 GLY 48 HA2 GLY 48 17.594 -12.523 -8.364 328 HA3 GLY 48 HA1 GLY 48 15.994 -13.239 -8.838 329 H CYS 49 HN CYS 49 16.496 -15.969 -7.949 330 HA CYS 49 HA CYS 49 17.133 -15.657 -5.135 331 HB2 CYS 49 HB2 CYS 49 14.854 -17.058 -4.756 332 HB3 CYS 49 HB1 CYS 49 14.896 -15.276 -4.642 333 HA PRO 50 HA PRO 50 18.579 -19.457 -7.441 334 HB2 PRO 50 HB2 PRO 50 20.717 -19.535 -5.492 335 HB3 PRO 50 HB1 PRO 50 20.837 -19.054 -7.238 336 HG2 PRO 50 HG2 PRO 50 20.570 -17.320 -4.764 337 HG3 PRO 50 HG1 PRO 50 21.345 -16.949 -6.359 338 HD2 PRO 50 HD2 PRO 50 18.944 -15.872 -5.653 339 HD3 PRO 50 HD1 PRO 50 19.301 -16.337 -7.359 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 8.980 -30.110 5.890 2 H2 SER 1 HT2 SER 1 9.929 -28.700 5.900 3 H3 SER 1 HT3 SER 1 9.357 -29.329 4.429 4 HA SER 1 HA SER 1 7.519 -28.186 4.571 5 HB2 SER 1 HB2 SER 1 6.763 -30.142 6.108 6 HB3 SER 1 HB1 SER 1 7.160 -29.052 7.497 7 HG SER 1 HG SER 1 5.621 -27.662 6.847 8 H SER 2 HN SER 2 9.445 -26.458 4.642 9 HA SER 2 HA SER 2 8.575 -24.557 6.626 10 HB2 SER 2 HB2 SER 2 10.516 -25.706 7.812 11 HB3 SER 2 HB1 SER 2 11.556 -25.316 6.383 12 HG SER 2 HG SER 2 11.486 -23.244 6.874 13 H THR 3 HN THR 3 8.989 -22.372 5.901 14 HA THR 3 HA THR 3 9.415 -22.294 3.078 15 HB THR 3 HB THR 3 9.230 -19.951 5.019 16 HG1 THR 3 HG1 THR 3 7.020 -20.206 3.719 17 HG21 THR 3 HG21 THR 3 8.507 -18.728 2.954 18 HG22 THR 3 HG22 THR 3 8.752 -20.231 1.988 19 HG23 THR 3 HG23 THR 3 10.160 -19.421 2.771 20 HA PRO 4 HA PRO 4 13.802 -22.042 3.230 21 HB2 PRO 4 HB2 PRO 4 13.344 -20.307 0.804 22 HB3 PRO 4 HB1 PRO 4 14.433 -21.735 1.008 23 HG2 PRO 4 HG2 PRO 4 12.111 -21.980 -0.329 24 HG3 PRO 4 HG1 PRO 4 12.671 -23.285 0.777 25 HD2 PRO 4 HD2 PRO 4 10.510 -21.183 1.203 26 HD3 PRO 4 HD1 PRO 4 10.563 -22.911 1.739 27 H ASP 5 HN ASP 5 11.955 -19.032 2.486 28 HA ASP 5 HA ASP 5 13.477 -17.707 4.497 29 HB2 ASP 5 HB2 ASP 5 14.776 -17.518 2.202 30 HB3 ASP 5 HB1 ASP 5 13.429 -16.426 1.746 31 H GLY 6 HN GLY 6 12.530 -15.212 2.699 32 HA2 GLY 6 HA2 GLY 6 9.714 -15.456 2.828 33 HA3 GLY 6 HA1 GLY 6 10.433 -14.444 4.159 34 H THR 7 HN THR 7 12.762 -13.602 2.513 35 HA THR 7 HA THR 7 11.284 -11.626 0.914 36 HB THR 7 HB THR 7 14.180 -11.672 1.910 37 HG1 THR 7 HG1 THR 7 12.732 -9.520 2.528 38 HG21 THR 7 HG21 THR 7 12.658 -9.829 -0.016 39 HG22 THR 7 HG22 THR 7 14.271 -10.609 -0.232 40 HG23 THR 7 HG23 THR 7 14.078 -9.240 0.929 41 H TRP 8 HN TRP 8 13.718 -14.178 0.910 42 HA TRP 8 HA TRP 8 14.631 -13.788 -1.679 43 HB2 TRP 8 HB2 TRP 8 15.976 -15.389 -0.706 44 HB3 TRP 8 HB1 TRP 8 14.682 -15.941 0.372 45 HD1 TRP 8 HD1 TRP 8 16.366 -16.833 -2.955 46 HE1 TRP 8 HE1 TRP 8 15.338 -19.000 -3.811 47 HE3 TRP 8 HE3 TRP 8 12.493 -17.243 0.300 48 HZ2 TRP 8 HZ2 TRP 8 13.162 -20.655 -3.172 49 HZ3 TRP 8 HZ3 TRP 8 10.970 -19.146 0.118 50 HH2 TRP 8 HH2 TRP 8 11.309 -20.832 -1.613 51 H VAL 9 HN VAL 9 11.745 -15.437 -0.306 52 HA VAL 9 HA VAL 9 11.043 -16.683 -2.756 53 HB VAL 9 HB VAL 9 10.154 -17.411 -0.518 54 HG11 VAL 9 HG11 VAL 9 8.173 -15.103 -0.690 55 HG12 VAL 9 HG12 VAL 9 9.804 -14.785 0.004 56 HG13 VAL 9 HG13 VAL 9 8.739 -16.031 0.747 57 HG21 VAL 9 HG21 VAL 9 8.096 -16.544 -2.639 58 HG22 VAL 9 HG22 VAL 9 7.873 -17.838 -1.396 59 HG23 VAL 9 HG23 VAL 9 9.109 -18.041 -2.696 60 H LYS 10 HN LYS 10 10.687 -13.425 -1.417 61 HA LYS 10 HA LYS 10 8.462 -12.692 -2.974 62 HB2 LYS 10 HB2 LYS 10 10.827 -10.997 -1.965 63 HB3 LYS 10 HB1 LYS 10 9.396 -10.304 -2.803 64 HG2 LYS 10 HG2 LYS 10 7.905 -11.184 -1.009 65 HG3 LYS 10 HG1 LYS 10 9.325 -11.893 -0.171 66 HD2 LYS 10 HD2 LYS 10 10.313 -9.592 0.070 67 HD3 LYS 10 HD1 LYS 10 8.866 -8.896 -0.737 68 HE2 LYS 10 HE2 LYS 10 8.792 -10.526 1.893 69 HE3 LYS 10 HE1 LYS 10 8.752 -8.717 1.784 70 HZ1 LYS 10 HZ1 LYS 10 6.597 -8.918 1.573 71 HZ2 LYS 10 HZ2 LYS 10 6.668 -10.610 1.432 72 HZ3 LYS 10 HZ3 LYS 10 6.820 -9.636 0.050 73 H CYS 11 HN CYS 11 11.858 -13.305 -3.675 74 HA CYS 11 HA CYS 11 11.852 -11.844 -6.115 75 HB2 CYS 11 HB2 CYS 11 14.080 -12.204 -5.426 76 HB3 CYS 11 HB1 CYS 11 13.699 -13.812 -4.769 77 H ARG 12 HN ARG 12 11.332 -15.223 -5.024 78 HA ARG 12 HA ARG 12 11.119 -16.365 -7.513 79 HB2 ARG 12 HB2 ARG 12 9.499 -16.965 -4.989 80 HB3 ARG 12 HB1 ARG 12 9.612 -18.024 -6.407 81 HG2 ARG 12 HG2 ARG 12 12.138 -17.153 -5.014 82 HG3 ARG 12 HG1 ARG 12 11.121 -18.445 -4.297 83 HD2 ARG 12 HD2 ARG 12 11.265 -19.725 -6.487 84 HD3 ARG 12 HD1 ARG 12 12.410 -18.450 -7.093 85 HE ARG 12 HE ARG 12 13.551 -19.171 -4.702 86 HH11 ARG 12 HH11 ARG 12 12.233 -21.002 -7.460 87 HH12 ARG 12 HH12 ARG 12 13.336 -22.328 -7.309 88 HH21 ARG 12 HH21 ARG 12 15.060 -20.987 -4.498 89 HH22 ARG 12 HH22 ARG 12 14.968 -22.319 -5.599 90 H HIS 13 HN HIS 13 8.746 -14.698 -5.420 91 HA HIS 13 HA HIS 13 6.614 -15.112 -7.268 92 HB2 HIS 13 HB2 HIS 13 6.000 -14.630 -4.957 93 HB3 HIS 13 HB1 HIS 13 7.004 -13.137 -4.953 94 HD2 HIS 13 HD2 HIS 13 5.641 -10.850 -5.635 95 HE1 HIS 13 HE1 HIS 13 2.178 -12.758 -7.138 96 HE2 HIS 13 HE2 HIS 13 3.263 -10.536 -6.540 97 H ASP 14 HN ASP 14 9.036 -12.510 -6.690 98 HA ASP 14 HA ASP 14 7.849 -10.596 -8.338 99 HB2 ASP 14 HB2 ASP 14 9.943 -10.286 -6.825 100 HB3 ASP 14 HB1 ASP 14 10.876 -11.038 -8.158 101 H CYS 15 HN CYS 15 10.372 -13.119 -9.155 102 HA CYS 15 HA CYS 15 10.279 -12.367 -11.911 103 HB2 CYS 15 HB2 CYS 15 11.262 -14.965 -10.572 104 HB3 CYS 15 HB1 CYS 15 11.446 -14.603 -12.316 105 H PHE 16 HN PHE 16 8.413 -14.463 -9.785 106 HA PHE 16 HA PHE 16 7.387 -16.128 -11.784 107 HB2 PHE 16 HB2 PHE 16 7.029 -16.550 -9.351 108 HB3 PHE 16 HB1 PHE 16 5.974 -15.102 -9.278 109 HD1 PHE 16 HD1 PHE 16 6.339 -18.131 -11.446 110 HD2 PHE 16 HD2 PHE 16 3.789 -15.552 -9.225 111 HE1 PHE 16 HE1 PHE 16 4.410 -19.523 -12.024 112 HE2 PHE 16 HE2 PHE 16 1.867 -16.956 -9.813 113 HZ PHE 16 HZ PHE 16 2.178 -18.939 -11.211 114 H THR 17 HN THR 17 6.230 -12.981 -10.407 115 HA THR 17 HA THR 17 3.950 -12.911 -12.070 116 HB THR 17 HB THR 17 3.947 -10.453 -11.662 117 HG1 THR 17 HG1 THR 17 6.516 -11.096 -10.713 118 HG21 THR 17 HG21 THR 17 3.106 -10.855 -9.586 119 HG22 THR 17 HG22 THR 17 4.713 -11.385 -8.960 120 HG23 THR 17 HG23 THR 17 3.648 -12.558 -9.822 121 H LYS 18 HN LYS 18 7.371 -11.870 -12.505 122 HA LYS 18 HA LYS 18 6.897 -10.548 -14.938 123 HB2 LYS 18 HB2 LYS 18 9.358 -11.844 -13.706 124 HB3 LYS 18 HB1 LYS 18 9.401 -11.277 -15.410 125 HG2 LYS 18 HG2 LYS 18 10.193 -9.688 -13.437 126 HG3 LYS 18 HG1 LYS 18 9.274 -9.030 -14.832 127 HD2 LYS 18 HD2 LYS 18 7.278 -8.814 -13.585 128 HD3 LYS 18 HD1 LYS 18 7.802 -10.003 -12.349 129 HE2 LYS 18 HE2 LYS 18 7.857 -7.688 -11.440 130 HE3 LYS 18 HE1 LYS 18 9.530 -8.372 -11.526 131 HZ1 LYS 18 HZ1 LYS 18 8.910 -7.112 -13.957 132 HZ2 LYS 18 HZ2 LYS 18 10.092 -6.711 -12.807 133 HZ3 LYS 18 HZ3 LYS 18 8.534 -6.049 -12.688 134 H TYR 19 HN TYR 19 7.271 -13.930 -13.966 135 HA TYR 19 HA TYR 19 7.723 -14.828 -16.636 136 HB2 TYR 19 HB2 TYR 19 8.463 -16.417 -15.082 137 HB3 TYR 19 HB1 TYR 19 7.086 -16.132 -13.977 138 HD1 TYR 19 HD1 TYR 19 7.995 -17.572 -17.279 139 HD2 TYR 19 HD2 TYR 19 5.280 -17.496 -14.024 140 HE1 TYR 19 HE1 TYR 19 6.856 -19.532 -18.198 141 HE2 TYR 19 HE2 TYR 19 4.142 -19.455 -14.941 142 HH TYR 19 HH TYR 19 3.825 -20.622 -17.019 143 H LYS 20 HN LYS 20 4.923 -14.723 -14.352 144 HA LYS 20 HA LYS 20 3.120 -15.895 -16.112 145 HB2 LYS 20 HB2 LYS 20 2.581 -13.649 -14.100 146 HB3 LYS 20 HB1 LYS 20 1.349 -14.725 -14.831 147 HG2 LYS 20 HG2 LYS 20 3.672 -15.681 -13.108 148 HG3 LYS 20 HG1 LYS 20 2.024 -15.365 -12.507 149 HD2 LYS 20 HD2 LYS 20 2.244 -17.192 -14.891 150 HD3 LYS 20 HD1 LYS 20 2.904 -17.822 -13.345 151 HE2 LYS 20 HE2 LYS 20 0.700 -17.390 -12.227 152 HE3 LYS 20 HE1 LYS 20 0.036 -16.752 -13.787 153 HZ1 LYS 20 HZ1 LYS 20 0.896 -19.045 -14.644 154 HZ2 LYS 20 HZ2 LYS 20 -0.605 -18.898 -13.861 155 HZ3 LYS 20 HZ3 LYS 20 0.741 -19.492 -13.014 156 H SER 21 HN SER 21 4.357 -12.569 -15.730 157 HA SER 21 HA SER 21 2.491 -11.429 -17.541 158 HB2 SER 21 HB2 SER 21 5.376 -10.566 -16.871 159 HB3 SER 21 HB1 SER 21 4.215 -9.575 -17.841 160 HG SER 21 HG SER 21 3.982 -10.435 -15.143 161 H CYS 22 HN CYS 22 5.442 -13.370 -17.891 162 HA CYS 22 HA CYS 22 5.882 -12.646 -20.606 163 HB2 CYS 22 HB2 CYS 22 7.560 -13.824 -18.955 164 HB3 CYS 22 HB1 CYS 22 6.649 -15.314 -19.353 165 H GLN 23 HN GLN 23 4.018 -15.161 -18.855 166 HA GLN 23 HA GLN 23 3.363 -16.565 -21.232 167 HB2 GLN 23 HB2 GLN 23 2.055 -16.493 -18.451 168 HB3 GLN 23 HB1 GLN 23 1.414 -17.499 -19.799 169 HG2 GLN 23 HG2 GLN 23 3.816 -18.541 -19.946 170 HG3 GLN 23 HG1 GLN 23 4.092 -17.775 -18.329 171 HE21 GLN 23 HE21 GLN 23 2.373 -20.294 -20.119 172 HE22 GLN 23 HE22 GLN 23 1.639 -21.066 -18.754 173 H MET 24 HN MET 24 2.257 -13.617 -19.649 174 HA MET 24 HA MET 24 -0.286 -13.686 -20.993 175 HB2 MET 24 HB2 MET 24 1.194 -11.464 -19.503 176 HB3 MET 24 HB1 MET 24 -0.432 -11.277 -20.229 177 HG2 MET 24 HG2 MET 24 0.250 -13.395 -18.147 178 HG3 MET 24 HG1 MET 24 -0.368 -11.775 -17.742 179 HE1 MET 24 HE1 MET 24 -0.582 -15.054 -19.051 180 HE2 MET 24 HE2 MET 24 -2.271 -15.467 -19.506 181 HE3 MET 24 HE3 MET 24 -1.811 -15.357 -17.772 182 H SER 25 HN SER 25 3.002 -12.890 -21.669 183 HA SER 25 HA SER 25 2.460 -10.840 -23.544 184 HB2 SER 25 HB2 SER 25 4.848 -12.781 -23.410 185 HB3 SER 25 HB1 SER 25 4.764 -11.307 -24.458 186 HG SER 25 HG SER 25 4.290 -11.123 -21.686 187 H ASP 26 HN ASP 26 2.892 -11.130 -25.964 188 HA ASP 26 HA ASP 26 1.289 -13.372 -26.804 189 HB2 ASP 26 HB2 ASP 26 2.687 -11.182 -28.429 190 HB3 ASP 26 HB1 ASP 26 1.540 -12.399 -29.096 191 H SER 27 HN SER 27 4.348 -13.194 -25.772 192 HA SER 27 HA SER 27 5.639 -14.379 -28.048 193 HB2 SER 27 HB2 SER 27 6.569 -14.139 -25.115 194 HB3 SER 27 HB1 SER 27 7.589 -14.746 -26.483 195 HG SER 27 HG SER 27 8.081 -12.700 -26.464 196 H CYS 28 HN CYS 28 3.445 -15.313 -25.623 197 HA CYS 28 HA CYS 28 4.521 -17.999 -25.458 198 HB2 CYS 28 HB2 CYS 28 3.423 -16.913 -23.434 199 HB3 CYS 28 HB1 CYS 28 1.895 -16.849 -24.374 200 H HIS 29 HN HIS 29 4.367 -18.118 -27.924 201 HA HIS 29 HA HIS 29 1.587 -18.673 -28.676 202 HB2 HIS 29 HB2 HIS 29 2.470 -18.585 -31.071 203 HB3 HIS 29 HB1 HIS 29 2.552 -17.009 -30.211 204 HD2 HIS 29 HD2 HIS 29 5.219 -16.185 -29.480 205 HE1 HIS 29 HE1 HIS 29 7.073 -19.058 -31.958 206 HE2 HIS 29 HE2 HIS 29 7.405 -16.961 -30.560 207 H ASP 30 HN ASP 30 4.937 -19.842 -28.444 208 HA ASP 30 HA ASP 30 3.939 -22.449 -29.300 209 HB2 ASP 30 HB2 ASP 30 6.758 -21.234 -29.345 210 HB3 ASP 30 HB1 ASP 30 6.494 -23.012 -29.435 211 H GLU 31 HN GLU 31 4.621 -24.296 -27.978 212 HA GLU 31 HA GLU 31 4.443 -23.680 -25.244 213 HB2 GLU 31 HB2 GLU 31 5.342 -26.248 -26.674 214 HB3 GLU 31 HB1 GLU 31 5.148 -26.121 -24.887 215 HG2 GLU 31 HG2 GLU 31 2.721 -25.636 -25.122 216 HG3 GLU 31 HG1 GLU 31 2.880 -25.620 -26.925 217 H GLN 32 HN GLN 32 7.169 -24.426 -27.487 218 HA GLN 32 HA GLN 32 9.098 -24.579 -25.432 219 HB2 GLN 32 HB2 GLN 32 9.461 -25.398 -27.803 220 HB3 GLN 32 HB1 GLN 32 9.482 -23.688 -28.331 221 HG2 GLN 32 HG2 GLN 32 11.482 -23.225 -26.935 222 HG3 GLN 32 HG1 GLN 32 11.447 -24.923 -26.309 223 HE21 GLN 32 HE21 GLN 32 13.765 -24.338 -27.484 224 HE22 GLN 32 HE22 GLN 32 13.890 -24.985 -29.084 225 H SER 33 HN SER 33 7.828 -21.929 -27.524 226 HA SER 33 HA SER 33 9.665 -20.013 -26.618 227 HB2 SER 33 HB2 SER 33 8.143 -19.625 -28.627 228 HB3 SER 33 HB1 SER 33 6.748 -19.513 -27.481 229 HG SER 33 HG SER 33 7.275 -17.547 -27.226 230 H CYS 34 HN CYS 34 6.414 -21.092 -25.419 231 HA CYS 34 HA CYS 34 6.371 -19.134 -23.358 232 HB2 CYS 34 HB2 CYS 34 4.508 -20.990 -24.324 233 HB3 CYS 34 HB1 CYS 34 5.013 -21.731 -22.766 234 H HIS 35 HN HIS 35 7.831 -22.363 -23.792 235 HA HIS 35 HA HIS 35 8.280 -22.836 -21.039 236 HB2 HIS 35 HB2 HIS 35 8.569 -24.687 -22.663 237 HB3 HIS 35 HB1 HIS 35 9.863 -23.760 -23.500 238 HD2 HIS 35 HD2 HIS 35 12.356 -24.482 -22.698 239 HE1 HIS 35 HE1 HIS 35 11.282 -26.064 -18.928 240 HE2 HIS 35 HE2 HIS 35 13.172 -25.676 -20.582 241 H GLN 36 HN GLN 36 9.965 -20.983 -23.596 242 HA GLN 36 HA GLN 36 12.363 -20.619 -22.214 243 HB2 GLN 36 HB2 GLN 36 10.883 -18.769 -24.134 244 HB3 GLN 36 HB1 GLN 36 12.523 -18.428 -23.509 245 HG2 GLN 36 HG2 GLN 36 11.927 -21.086 -24.901 246 HG3 GLN 36 HG1 GLN 36 12.285 -19.590 -25.853 247 HE21 GLN 36 HE21 GLN 36 13.580 -22.036 -23.660 248 HE22 GLN 36 HE22 GLN 36 15.225 -21.526 -23.722 249 H CYS 37 HN CYS 37 9.169 -19.063 -21.991 250 HA CYS 37 HA CYS 37 10.007 -16.889 -20.427 251 HB2 CYS 37 HB2 CYS 37 7.360 -18.415 -20.463 252 HB3 CYS 37 HB1 CYS 37 7.632 -16.939 -19.504 253 H HIS 38 HN HIS 38 9.087 -20.237 -19.697 254 HA HIS 38 HA HIS 38 9.159 -19.835 -16.892 255 HB2 HIS 38 HB2 HIS 38 7.922 -21.760 -17.989 256 HB3 HIS 38 HB1 HIS 38 9.528 -22.446 -18.441 257 HD2 HIS 38 HD2 HIS 38 11.117 -23.299 -16.188 258 HE1 HIS 38 HE1 HIS 38 7.761 -23.391 -13.610 259 HE2 HIS 38 HE2 HIS 38 10.190 -24.087 -13.925 260 H VAL 39 HN VAL 39 11.408 -20.892 -19.427 261 HA VAL 39 HA VAL 39 13.425 -21.684 -17.627 262 HB VAL 39 HB VAL 39 13.537 -20.642 -20.486 263 HG11 VAL 39 HG11 VAL 39 15.684 -20.131 -19.558 264 HG12 VAL 39 HG12 VAL 39 15.902 -21.747 -20.333 265 HG13 VAL 39 HG13 VAL 39 15.701 -21.622 -18.545 266 HG21 VAL 39 HG21 VAL 39 13.020 -23.246 -19.114 267 HG22 VAL 39 HG22 VAL 39 14.287 -23.331 -20.402 268 HG23 VAL 39 HG23 VAL 39 12.638 -22.721 -20.799 269 H LYS 40 HN LYS 40 12.439 -18.558 -19.119 270 HA LYS 40 HA LYS 40 14.760 -17.180 -18.263 271 HB2 LYS 40 HB2 LYS 40 11.901 -16.221 -18.844 272 HB3 LYS 40 HB1 LYS 40 13.219 -15.100 -18.350 273 HG2 LYS 40 HG2 LYS 40 14.265 -15.187 -20.387 274 HG3 LYS 40 HG1 LYS 40 13.909 -16.934 -20.622 275 HD2 LYS 40 HD2 LYS 40 12.284 -16.359 -22.072 276 HD3 LYS 40 HD1 LYS 40 11.376 -15.620 -20.712 277 HE2 LYS 40 HE2 LYS 40 11.577 -13.886 -22.379 278 HE3 LYS 40 HE1 LYS 40 12.819 -13.478 -21.124 279 HZ1 LYS 40 HZ1 LYS 40 14.212 -13.449 -22.805 280 HZ2 LYS 40 HZ2 LYS 40 13.136 -14.212 -23.874 281 HZ3 LYS 40 HZ3 LYS 40 14.113 -15.143 -22.843 282 H HIS 41 HN HIS 41 11.613 -18.039 -16.828 283 HA HIS 41 HA HIS 41 11.911 -16.451 -14.538 284 HB2 HIS 41 HB2 HIS 41 9.748 -17.504 -15.050 285 HB3 HIS 41 HB1 HIS 41 10.487 -19.126 -14.944 286 HD2 HIS 41 HD2 HIS 41 9.392 -16.174 -12.502 287 HE1 HIS 41 HE1 HIS 41 10.041 -19.703 -10.297 288 HE2 HIS 41 HE2 HIS 41 9.220 -17.303 -10.215 289 H THR 42 HN THR 42 12.929 -19.769 -15.449 290 HA THR 42 HA THR 42 13.846 -20.487 -12.925 291 HB THR 42 HB THR 42 14.828 -21.293 -15.713 292 HG1 THR 42 HG1 THR 42 12.657 -21.808 -14.961 293 HG21 THR 42 HG21 THR 42 15.700 -22.038 -12.910 294 HG22 THR 42 HG22 THR 42 16.661 -21.899 -14.427 295 HG23 THR 42 HG23 THR 42 15.615 -23.339 -14.150 296 H ASP 43 HN ASP 43 15.498 -18.830 -15.717 297 HA ASP 43 HA ASP 43 17.967 -18.662 -14.298 298 HB2 ASP 43 HB2 ASP 43 16.876 -17.092 -16.701 299 HB3 ASP 43 HB1 ASP 43 18.529 -16.837 -16.029 300 H CYS 44 HN CYS 44 15.033 -16.660 -14.553 301 HA CYS 44 HA CYS 44 16.180 -14.322 -13.445 302 HB2 CYS 44 HB2 CYS 44 13.881 -14.467 -14.656 303 HB3 CYS 44 HB1 CYS 44 13.262 -15.224 -13.153 304 H VAL 45 HN VAL 45 14.661 -17.261 -12.205 305 HA VAL 45 HA VAL 45 14.637 -16.264 -9.550 306 HB VAL 45 HB VAL 45 14.052 -18.852 -10.928 307 HG11 VAL 45 HG11 VAL 45 15.628 -19.614 -9.207 308 HG12 VAL 45 HG12 VAL 45 13.956 -19.974 -8.624 309 HG13 VAL 45 HG13 VAL 45 14.851 -18.562 -7.959 310 HG21 VAL 45 HG21 VAL 45 12.214 -17.308 -10.583 311 HG22 VAL 45 HG22 VAL 45 12.688 -17.022 -8.863 312 HG23 VAL 45 HG23 VAL 45 12.022 -18.621 -9.358 313 H ASN 46 HN ASN 46 16.731 -18.281 -11.582 314 HA ASN 46 HA ASN 46 18.365 -19.156 -9.487 315 HB2 ASN 46 HB2 ASN 46 18.748 -18.760 -12.460 316 HB3 ASN 46 HB1 ASN 46 20.143 -19.195 -11.418 317 HD21 ASN 46 HD21 ASN 46 18.562 -20.660 -13.599 318 HD22 ASN 46 HD22 ASN 46 18.162 -22.181 -12.889 319 H THR 47 HN THR 47 18.252 -16.099 -11.318 320 HA THR 47 HA THR 47 20.792 -15.354 -10.096 321 HB THR 47 HB THR 47 18.986 -13.768 -11.980 322 HG1 THR 47 HG1 THR 47 19.904 -15.536 -12.982 323 HG21 THR 47 HG21 THR 47 21.722 -13.267 -10.679 324 HG22 THR 47 HG22 THR 47 20.276 -12.189 -10.722 325 HG23 THR 47 HG23 THR 47 21.248 -12.458 -12.219 326 H GLY 48 HN GLY 48 17.308 -14.401 -10.158 327 HA2 GLY 48 HA2 GLY 48 17.760 -12.261 -8.342 328 HA3 GLY 48 HA1 GLY 48 16.179 -13.024 -8.805 329 H CYS 49 HN CYS 49 16.792 -15.751 -7.977 330 HA CYS 49 HA CYS 49 17.463 -15.470 -5.168 331 HB2 CYS 49 HB2 CYS 49 15.242 -16.961 -4.785 332 HB3 CYS 49 HB1 CYS 49 15.225 -15.181 -4.631 333 HA PRO 50 HA PRO 50 19.025 -19.160 -7.571 334 HB2 PRO 50 HB2 PRO 50 21.163 -19.205 -5.615 335 HB3 PRO 50 HB1 PRO 50 21.270 -18.699 -7.355 336 HG2 PRO 50 HG2 PRO 50 20.952 -17.004 -4.861 337 HG3 PRO 50 HG1 PRO 50 21.699 -16.586 -6.458 338 HD2 PRO 50 HD2 PRO 50 19.266 -15.606 -5.716 339 HD3 PRO 50 HD1 PRO 50 19.628 -16.032 -7.432 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 10.647 -30.804 5.522 2 H2 SER 1 HT2 SER 1 11.842 -29.802 6.195 3 H3 SER 1 HT3 SER 1 11.032 -29.325 4.780 4 HA SER 1 HA SER 1 9.105 -28.823 5.859 5 HB2 SER 1 HB2 SER 1 9.101 -31.072 7.146 6 HB3 SER 1 HB1 SER 1 10.124 -30.244 8.387 7 HG SER 1 HG SER 1 8.496 -28.915 8.860 8 H SER 2 HN SER 2 10.676 -26.892 5.419 9 HA SER 2 HA SER 2 10.928 -25.535 7.943 10 HB2 SER 2 HB2 SER 2 13.221 -26.626 7.722 11 HB3 SER 2 HB1 SER 2 13.383 -25.843 6.099 12 HG SER 2 HG SER 2 13.521 -23.921 7.021 13 H THR 3 HN THR 3 10.873 -23.221 7.631 14 HA THR 3 HA THR 3 9.804 -22.548 5.068 15 HB THR 3 HB THR 3 10.580 -20.716 7.385 16 HG1 THR 3 HG1 THR 3 8.018 -20.890 7.177 17 HG21 THR 3 HG21 THR 3 9.056 -19.101 6.260 18 HG22 THR 3 HG22 THR 3 8.743 -20.296 4.947 19 HG23 THR 3 HG23 THR 3 10.391 -19.593 5.153 20 HA PRO 4 HA PRO 4 13.741 -21.697 3.301 21 HB2 PRO 4 HB2 PRO 4 12.814 -20.175 1.156 22 HB3 PRO 4 HB1 PRO 4 12.813 -21.990 1.198 23 HG2 PRO 4 HG2 PRO 4 10.546 -20.030 1.768 24 HG3 PRO 4 HG1 PRO 4 10.508 -21.617 0.895 25 HD2 PRO 4 HD2 PRO 4 9.646 -21.338 3.493 26 HD3 PRO 4 HD1 PRO 4 10.423 -22.856 2.884 27 H ASP 5 HN ASP 5 11.531 -18.850 2.928 28 HA ASP 5 HA ASP 5 13.148 -17.333 4.665 29 HB2 ASP 5 HB2 ASP 5 14.393 -17.382 2.337 30 HB3 ASP 5 HB1 ASP 5 13.041 -16.332 1.805 31 H GLY 6 HN GLY 6 12.166 -15.024 2.644 32 HA2 GLY 6 HA2 GLY 6 9.367 -15.214 2.769 33 HA3 GLY 6 HA1 GLY 6 10.058 -14.169 4.092 34 H THR 7 HN THR 7 12.444 -13.418 2.454 35 HA THR 7 HA THR 7 11.029 -11.451 0.789 36 HB THR 7 HB THR 7 13.910 -11.546 1.823 37 HG1 THR 7 HG1 THR 7 12.491 -9.334 2.329 38 HG21 THR 7 HG21 THR 7 14.066 -10.564 -0.354 39 HG22 THR 7 HG22 THR 7 13.898 -9.150 0.756 40 HG23 THR 7 HG23 THR 7 12.475 -9.728 -0.191 41 H TRP 8 HN TRP 8 13.363 -14.087 0.872 42 HA TRP 8 HA TRP 8 14.336 -13.795 -1.707 43 HB2 TRP 8 HB2 TRP 8 15.586 -15.441 -0.684 44 HB3 TRP 8 HB1 TRP 8 14.253 -15.902 0.389 45 HD1 TRP 8 HD1 TRP 8 15.926 -16.952 -2.897 46 HE1 TRP 8 HE1 TRP 8 14.803 -19.085 -3.715 47 HE3 TRP 8 HE3 TRP 8 12.008 -17.100 0.326 48 HZ2 TRP 8 HZ2 TRP 8 12.544 -20.619 -3.064 49 HZ3 TRP 8 HZ3 TRP 8 10.397 -18.932 0.169 50 HH2 TRP 8 HH2 TRP 8 10.667 -20.677 -1.520 51 H VAL 9 HN VAL 9 11.353 -15.274 -0.354 52 HA VAL 9 HA VAL 9 10.632 -16.537 -2.790 53 HB VAL 9 HB VAL 9 9.671 -17.169 -0.551 54 HG11 VAL 9 HG11 VAL 9 7.796 -14.787 -0.808 55 HG12 VAL 9 HG12 VAL 9 9.433 -14.509 -0.114 56 HG13 VAL 9 HG13 VAL 9 8.319 -15.691 0.661 57 HG21 VAL 9 HG21 VAL 9 8.638 -17.805 -2.731 58 HG22 VAL 9 HG22 VAL 9 7.698 -16.252 -2.733 59 HG23 VAL 9 HG23 VAL 9 7.389 -17.503 -1.464 60 H LYS 10 HN LYS 10 10.415 -13.239 -1.524 61 HA LYS 10 HA LYS 10 8.255 -12.433 -3.135 62 HB2 LYS 10 HB2 LYS 10 10.679 -10.829 -2.116 63 HB3 LYS 10 HB1 LYS 10 9.291 -10.090 -2.985 64 HG2 LYS 10 HG2 LYS 10 7.737 -10.881 -1.198 65 HG3 LYS 10 HG1 LYS 10 9.120 -11.626 -0.326 66 HD2 LYS 10 HD2 LYS 10 10.186 -9.374 -0.087 67 HD3 LYS 10 HD1 LYS 10 8.808 -8.626 -0.967 68 HE2 LYS 10 HE2 LYS 10 7.239 -9.374 0.846 69 HE3 LYS 10 HE1 LYS 10 8.624 -10.138 1.729 70 HZ1 LYS 10 HZ1 LYS 10 7.759 -7.476 1.757 71 HZ2 LYS 10 HZ2 LYS 10 9.320 -7.507 1.089 72 HZ3 LYS 10 HZ3 LYS 10 9.035 -8.198 2.613 73 H CYS 11 HN CYS 11 11.626 -13.229 -3.762 74 HA CYS 11 HA CYS 11 11.736 -11.809 -6.225 75 HB2 CYS 11 HB2 CYS 11 13.929 -12.264 -5.491 76 HB3 CYS 11 HB1 CYS 11 13.461 -13.839 -4.811 77 H ARG 12 HN ARG 12 11.028 -15.137 -5.084 78 HA ARG 12 HA ARG 12 10.808 -16.317 -7.555 79 HB2 ARG 12 HB2 ARG 12 9.104 -16.784 -5.057 80 HB3 ARG 12 HB1 ARG 12 9.197 -17.877 -6.451 81 HG2 ARG 12 HG2 ARG 12 11.730 -17.101 -5.015 82 HG3 ARG 12 HG1 ARG 12 10.635 -18.328 -4.299 83 HD2 ARG 12 HD2 ARG 12 10.767 -19.654 -6.464 84 HD3 ARG 12 HD1 ARG 12 11.993 -18.450 -7.059 85 HE ARG 12 HE ARG 12 13.024 -19.187 -4.621 86 HH11 ARG 12 HH11 ARG 12 11.716 -20.986 -7.405 87 HH12 ARG 12 HH12 ARG 12 12.751 -22.358 -7.204 88 HH21 ARG 12 HH21 ARG 12 14.440 -21.067 -4.349 89 HH22 ARG 12 HH22 ARG 12 14.324 -22.406 -5.440 90 H HIS 13 HN HIS 13 8.481 -14.489 -5.547 91 HA HIS 13 HA HIS 13 6.371 -14.830 -7.436 92 HB2 HIS 13 HB2 HIS 13 5.727 -14.282 -5.150 93 HB3 HIS 13 HB1 HIS 13 6.809 -12.844 -5.140 94 HD2 HIS 13 HD2 HIS 13 5.583 -10.499 -5.881 95 HE1 HIS 13 HE1 HIS 13 2.066 -12.245 -7.452 96 HE2 HIS 13 HE2 HIS 13 3.248 -10.075 -6.851 97 H ASP 14 HN ASP 14 8.906 -12.338 -6.842 98 HA ASP 14 HA ASP 14 7.849 -10.398 -8.549 99 HB2 ASP 14 HB2 ASP 14 9.924 -10.167 -6.991 100 HB3 ASP 14 HB1 ASP 14 10.847 -10.976 -8.297 101 H CYS 15 HN CYS 15 10.260 -13.057 -9.264 102 HA CYS 15 HA CYS 15 10.268 -12.348 -12.032 103 HB2 CYS 15 HB2 CYS 15 11.096 -14.967 -10.631 104 HB3 CYS 15 HB1 CYS 15 11.341 -14.639 -12.374 105 H PHE 16 HN PHE 16 8.254 -14.306 -9.914 106 HA PHE 16 HA PHE 16 7.198 -15.964 -11.905 107 HB2 PHE 16 HB2 PHE 16 6.761 -16.316 -9.472 108 HB3 PHE 16 HB1 PHE 16 5.774 -14.819 -9.456 109 HD1 PHE 16 HD1 PHE 16 6.049 -17.911 -11.545 110 HD2 PHE 16 HD2 PHE 16 3.567 -15.161 -9.456 111 HE1 PHE 16 HE1 PHE 16 4.072 -19.224 -12.145 112 HE2 PHE 16 HE2 PHE 16 1.597 -16.485 -10.065 113 HZ PHE 16 HZ PHE 16 1.849 -18.515 -11.408 114 H THR 17 HN THR 17 6.163 -12.735 -10.621 115 HA THR 17 HA THR 17 3.930 -12.592 -12.344 116 HB THR 17 HB THR 17 4.040 -10.126 -11.989 117 HG1 THR 17 HG1 THR 17 6.543 -10.875 -10.943 118 HG21 THR 17 HG21 THR 17 4.685 -11.056 -9.250 119 HG22 THR 17 HG22 THR 17 3.564 -12.168 -10.124 120 HG23 THR 17 HG23 THR 17 3.134 -10.427 -9.920 121 H LYS 18 HN LYS 18 7.408 -11.718 -12.709 122 HA LYS 18 HA LYS 18 7.058 -10.432 -15.182 123 HB2 LYS 18 HB2 LYS 18 9.424 -11.811 -13.856 124 HB3 LYS 18 HB1 LYS 18 9.537 -11.289 -15.571 125 HG2 LYS 18 HG2 LYS 18 10.354 -9.689 -13.621 126 HG3 LYS 18 HG1 LYS 18 9.494 -9.023 -15.050 127 HD2 LYS 18 HD2 LYS 18 7.486 -8.690 -13.851 128 HD3 LYS 18 HD1 LYS 18 7.927 -9.874 -12.580 129 HE2 LYS 18 HE2 LYS 18 8.068 -7.538 -11.725 130 HE3 LYS 18 HE1 LYS 18 9.704 -8.310 -11.743 131 HZ1 LYS 18 HZ1 LYS 18 9.530 -7.194 -14.187 132 HZ2 LYS 18 HZ2 LYS 18 10.271 -6.492 -12.831 133 HZ3 LYS 18 HZ3 LYS 18 8.677 -6.074 -13.241 134 H TYR 19 HN TYR 19 7.230 -13.802 -14.127 135 HA TYR 19 HA TYR 19 7.717 -14.782 -16.760 136 HB2 TYR 19 HB2 TYR 19 8.331 -16.367 -15.150 137 HB3 TYR 19 HB1 TYR 19 6.938 -15.990 -14.096 138 HD1 TYR 19 HD1 TYR 19 7.849 -17.524 -17.356 139 HD2 TYR 19 HD2 TYR 19 5.090 -17.289 -14.147 140 HE1 TYR 19 HE1 TYR 19 6.645 -19.448 -18.266 141 HE2 TYR 19 HE2 TYR 19 3.885 -19.212 -15.056 142 HH TYR 19 HH TYR 19 3.553 -20.360 -17.195 143 H LYS 20 HN LYS 20 4.861 -14.514 -14.557 144 HA LYS 20 HA LYS 20 3.056 -15.624 -16.351 145 HB2 LYS 20 HB2 LYS 20 2.564 -13.316 -14.397 146 HB3 LYS 20 HB1 LYS 20 1.307 -14.351 -15.140 147 HG2 LYS 20 HG2 LYS 20 3.535 -15.376 -13.331 148 HG3 LYS 20 HG1 LYS 20 1.888 -14.970 -12.784 149 HD2 LYS 20 HD2 LYS 20 2.089 -16.861 -15.123 150 HD3 LYS 20 HD1 LYS 20 2.668 -17.485 -13.541 151 HE2 LYS 20 HE2 LYS 20 0.449 -16.902 -12.508 152 HE3 LYS 20 HE1 LYS 20 -0.130 -16.300 -14.114 153 HZ1 LYS 20 HZ1 LYS 20 0.838 -18.762 -14.671 154 HZ2 LYS 20 HZ2 LYS 20 -0.790 -18.367 -14.390 155 HZ3 LYS 20 HZ3 LYS 20 0.164 -18.983 -13.128 156 H SER 21 HN SER 21 4.436 -12.356 -15.979 157 HA SER 21 HA SER 21 2.695 -11.138 -17.847 158 HB2 SER 21 HB2 SER 21 4.242 -9.788 -16.341 159 HB3 SER 21 HB1 SER 21 5.646 -10.428 -17.286 160 HG SER 21 HG SER 21 4.178 -9.562 -19.126 161 H CYS 22 HN CYS 22 5.683 -13.100 -18.113 162 HA CYS 22 HA CYS 22 6.124 -12.525 -20.843 163 HB2 CYS 22 HB2 CYS 22 7.757 -13.697 -19.171 164 HB3 CYS 22 HB1 CYS 22 6.778 -15.167 -19.468 165 H GLN 23 HN GLN 23 4.149 -14.937 -19.058 166 HA GLN 23 HA GLN 23 3.480 -16.381 -21.412 167 HB2 GLN 23 HB2 GLN 23 2.245 -16.218 -18.612 168 HB3 GLN 23 HB1 GLN 23 1.419 -17.117 -19.934 169 HG2 GLN 23 HG2 GLN 23 3.746 -18.364 -20.235 170 HG3 GLN 23 HG1 GLN 23 4.086 -17.738 -18.571 171 HE21 GLN 23 HE21 GLN 23 2.226 -20.014 -20.503 172 HE22 GLN 23 HE22 GLN 23 1.389 -20.784 -19.198 173 H MET 24 HN MET 24 2.443 -13.350 -19.941 174 HA MET 24 HA MET 24 -0.073 -13.391 -21.353 175 HB2 MET 24 HB2 MET 24 1.398 -11.185 -19.830 176 HB3 MET 24 HB1 MET 24 -0.197 -10.973 -20.615 177 HG2 MET 24 HG2 MET 24 0.364 -13.094 -18.500 178 HG3 MET 24 HG1 MET 24 -0.216 -11.455 -18.118 179 HE1 MET 24 HE1 MET 24 -2.286 -15.119 -19.785 180 HE2 MET 24 HE2 MET 24 -1.619 -14.946 -18.125 181 HE3 MET 24 HE3 MET 24 -0.542 -14.747 -19.552 182 H SER 25 HN SER 25 3.247 -12.687 -21.930 183 HA SER 25 HA SER 25 2.815 -10.636 -23.837 184 HB2 SER 25 HB2 SER 25 5.156 -12.624 -23.602 185 HB3 SER 25 HB1 SER 25 5.141 -11.155 -24.660 186 HG SER 25 HG SER 25 4.573 -10.953 -21.906 187 H ASP 26 HN ASP 26 3.315 -10.954 -26.237 188 HA ASP 26 HA ASP 26 1.703 -13.174 -27.113 189 HB2 ASP 26 HB2 ASP 26 3.131 -10.912 -28.603 190 HB3 ASP 26 HB1 ASP 26 2.219 -12.219 -29.438 191 H SER 27 HN SER 27 4.694 -13.099 -25.946 192 HA SER 27 HA SER 27 6.086 -14.270 -28.165 193 HB2 SER 27 HB2 SER 27 6.825 -14.143 -25.172 194 HB3 SER 27 HB1 SER 27 7.913 -14.754 -26.484 195 HG SER 27 HG SER 27 8.479 -12.737 -26.414 196 H CYS 28 HN CYS 28 3.727 -15.191 -25.882 197 HA CYS 28 HA CYS 28 4.685 -17.919 -25.741 198 HB2 CYS 28 HB2 CYS 28 3.492 -16.851 -23.762 199 HB3 CYS 28 HB1 CYS 28 2.037 -16.696 -24.803 200 H HIS 29 HN HIS 29 4.679 -17.847 -28.261 201 HA HIS 29 HA HIS 29 1.942 -18.253 -29.215 202 HB2 HIS 29 HB2 HIS 29 2.919 -18.139 -31.515 203 HB3 HIS 29 HB1 HIS 29 3.287 -16.649 -30.585 204 HD2 HIS 29 HD2 HIS 29 6.037 -16.308 -29.885 205 HE1 HIS 29 HE1 HIS 29 7.372 -19.519 -32.285 206 HE2 HIS 29 HE2 HIS 29 8.060 -17.487 -30.921 207 H ASP 30 HN ASP 30 5.075 -19.753 -28.573 208 HA ASP 30 HA ASP 30 3.915 -22.242 -29.567 209 HB2 ASP 30 HB2 ASP 30 6.386 -21.098 -30.366 210 HB3 ASP 30 HB1 ASP 30 6.843 -22.298 -29.107 211 H GLU 31 HN GLU 31 4.740 -24.188 -28.279 212 HA GLU 31 HA GLU 31 4.308 -23.598 -25.541 213 HB2 GLU 31 HB2 GLU 31 5.280 -26.159 -26.940 214 HB3 GLU 31 HB1 GLU 31 4.960 -26.050 -25.171 215 HG2 GLU 31 HG2 GLU 31 2.557 -25.503 -25.596 216 HG3 GLU 31 HG1 GLU 31 2.859 -25.544 -27.380 217 H GLN 32 HN GLN 32 7.155 -24.355 -27.620 218 HA GLN 32 HA GLN 32 8.951 -24.540 -25.453 219 HB2 GLN 32 HB2 GLN 32 9.445 -25.348 -27.806 220 HB3 GLN 32 HB1 GLN 32 9.527 -23.634 -28.312 221 HG2 GLN 32 HG2 GLN 32 11.443 -23.217 -26.800 222 HG3 GLN 32 HG1 GLN 32 11.335 -24.911 -26.174 223 HE21 GLN 32 HE21 GLN 32 13.733 -24.461 -27.162 224 HE22 GLN 32 HE22 GLN 32 13.951 -25.084 -28.760 225 H SER 33 HN SER 33 7.803 -21.879 -27.581 226 HA SER 33 HA SER 33 9.600 -19.973 -26.597 227 HB2 SER 33 HB2 SER 33 6.731 -19.566 -27.637 228 HB3 SER 33 HB1 SER 33 7.928 -18.238 -27.364 229 HG SER 33 HG SER 33 8.006 -18.832 -29.474 230 H CYS 34 HN CYS 34 6.347 -21.110 -25.486 231 HA CYS 34 HA CYS 34 6.232 -19.139 -23.429 232 HB2 CYS 34 HB2 CYS 34 4.420 -21.053 -24.463 233 HB3 CYS 34 HB1 CYS 34 4.822 -21.681 -22.829 234 H HIS 35 HN HIS 35 7.656 -22.389 -23.835 235 HA HIS 35 HA HIS 35 8.027 -22.860 -21.066 236 HB2 HIS 35 HB2 HIS 35 8.296 -24.728 -22.679 237 HB3 HIS 35 HB1 HIS 35 9.639 -23.843 -23.487 238 HD2 HIS 35 HD2 HIS 35 12.085 -24.655 -22.622 239 HE1 HIS 35 HE1 HIS 35 10.868 -26.152 -18.858 240 HE2 HIS 35 HE2 HIS 35 12.808 -25.853 -20.473 241 H GLN 36 HN GLN 36 9.820 -21.085 -23.607 242 HA GLN 36 HA GLN 36 12.197 -20.773 -22.177 243 HB2 GLN 36 HB2 GLN 36 10.808 -18.914 -24.156 244 HB3 GLN 36 HB1 GLN 36 12.438 -18.596 -23.492 245 HG2 GLN 36 HG2 GLN 36 11.827 -21.264 -24.857 246 HG3 GLN 36 HG1 GLN 36 12.232 -19.791 -25.825 247 HE21 GLN 36 HE21 GLN 36 13.441 -22.249 -23.614 248 HE22 GLN 36 HE22 GLN 36 15.093 -21.757 -23.628 249 H CYS 37 HN CYS 37 9.049 -19.115 -22.042 250 HA CYS 37 HA CYS 37 9.921 -16.951 -20.487 251 HB2 CYS 37 HB2 CYS 37 7.230 -18.396 -20.563 252 HB3 CYS 37 HB1 CYS 37 7.525 -16.918 -19.612 253 H HIS 38 HN HIS 38 8.884 -20.259 -19.735 254 HA HIS 38 HA HIS 38 8.917 -19.819 -16.932 255 HB2 HIS 38 HB2 HIS 38 7.629 -21.712 -18.024 256 HB3 HIS 38 HB1 HIS 38 9.214 -22.462 -18.439 257 HD2 HIS 38 HD2 HIS 38 10.732 -23.344 -16.149 258 HE1 HIS 38 HE1 HIS 38 7.335 -23.267 -13.624 259 HE2 HIS 38 HE2 HIS 38 9.741 -24.062 -13.891 260 H VAL 39 HN VAL 39 11.170 -20.994 -19.411 261 HA VAL 39 HA VAL 39 13.122 -21.841 -17.565 262 HB VAL 39 HB VAL 39 13.329 -20.831 -20.430 263 HG11 VAL 39 HG11 VAL 39 15.416 -21.866 -18.433 264 HG12 VAL 39 HG12 VAL 39 15.475 -20.387 -19.466 265 HG13 VAL 39 HG13 VAL 39 15.648 -22.020 -20.215 266 HG21 VAL 39 HG21 VAL 39 12.367 -22.877 -20.749 267 HG22 VAL 39 HG22 VAL 39 12.686 -23.398 -19.046 268 HG23 VAL 39 HG23 VAL 39 13.980 -23.545 -20.298 269 H LYS 40 HN LYS 40 12.285 -18.693 -19.104 270 HA LYS 40 HA LYS 40 14.640 -17.394 -18.212 271 HB2 LYS 40 HB2 LYS 40 11.828 -16.321 -18.821 272 HB3 LYS 40 HB1 LYS 40 13.202 -15.259 -18.352 273 HG2 LYS 40 HG2 LYS 40 14.263 -15.471 -20.382 274 HG3 LYS 40 HG1 LYS 40 13.744 -17.177 -20.606 275 HD2 LYS 40 HD2 LYS 40 12.221 -16.420 -22.088 276 HD3 LYS 40 HD1 LYS 40 11.330 -15.707 -20.705 277 HE2 LYS 40 HE2 LYS 40 12.498 -13.549 -20.993 278 HE3 LYS 40 HE1 LYS 40 13.553 -14.254 -22.286 279 HZ1 LYS 40 HZ1 LYS 40 10.619 -14.369 -22.547 280 HZ2 LYS 40 HZ2 LYS 40 11.825 -14.340 -23.743 281 HZ3 LYS 40 HZ3 LYS 40 11.447 -12.925 -22.883 282 H HIS 41 HN HIS 41 11.438 -18.121 -16.830 283 HA HIS 41 HA HIS 41 11.759 -16.531 -14.543 284 HB2 HIS 41 HB2 HIS 41 9.566 -17.502 -15.099 285 HB3 HIS 41 HB1 HIS 41 10.237 -19.150 -14.956 286 HD2 HIS 41 HD2 HIS 41 9.211 -16.122 -12.575 287 HE1 HIS 41 HE1 HIS 41 9.653 -19.648 -10.314 288 HE2 HIS 41 HE2 HIS 41 8.937 -17.213 -10.281 289 H THR 42 HN THR 42 12.653 -19.898 -15.410 290 HA THR 42 HA THR 42 13.490 -20.633 -12.864 291 HB THR 42 HB THR 42 14.492 -21.504 -15.624 292 HG1 THR 42 HG1 THR 42 12.279 -21.911 -14.890 293 HG21 THR 42 HG21 THR 42 15.271 -22.264 -12.796 294 HG22 THR 42 HG22 THR 42 16.268 -22.183 -14.294 295 HG23 THR 42 HG23 THR 42 15.152 -23.572 -14.027 296 H ASP 43 HN ASP 43 15.268 -19.077 -15.638 297 HA ASP 43 HA ASP 43 17.711 -19.004 -14.168 298 HB2 ASP 43 HB2 ASP 43 16.741 -17.413 -16.611 299 HB3 ASP 43 HB1 ASP 43 18.389 -17.224 -15.906 300 H CYS 44 HN CYS 44 14.874 -16.878 -14.503 301 HA CYS 44 HA CYS 44 16.106 -14.579 -13.396 302 HB2 CYS 44 HB2 CYS 44 13.832 -14.630 -14.659 303 HB3 CYS 44 HB1 CYS 44 13.142 -15.343 -13.166 304 H VAL 45 HN VAL 45 14.424 -17.431 -12.156 305 HA VAL 45 HA VAL 45 14.389 -16.402 -9.513 306 HB VAL 45 HB VAL 45 13.713 -18.979 -10.872 307 HG11 VAL 45 HG11 VAL 45 15.213 -19.786 -9.101 308 HG12 VAL 45 HG12 VAL 45 13.511 -20.062 -8.556 309 HG13 VAL 45 HG13 VAL 45 14.452 -18.681 -7.886 310 HG21 VAL 45 HG21 VAL 45 12.392 -17.047 -8.875 311 HG22 VAL 45 HG22 VAL 45 11.663 -18.628 -9.343 312 HG23 VAL 45 HG23 VAL 45 11.939 -17.355 -10.595 313 H ASN 46 HN ASN 46 16.427 -18.541 -11.475 314 HA ASN 46 HA ASN 46 17.971 -19.467 -9.335 315 HB2 ASN 46 HB2 ASN 46 18.438 -19.124 -12.303 316 HB3 ASN 46 HB1 ASN 46 19.789 -19.609 -11.226 317 HD21 ASN 46 HD21 ASN 46 18.196 -21.027 -13.425 318 HD22 ASN 46 HD22 ASN 46 17.710 -22.519 -12.708 319 H THR 47 HN THR 47 18.043 -16.434 -11.200 320 HA THR 47 HA THR 47 20.587 -15.797 -9.929 321 HB THR 47 HB THR 47 18.904 -14.156 -11.876 322 HG1 THR 47 HG1 THR 47 19.755 -15.966 -12.846 323 HG21 THR 47 HG21 THR 47 21.216 -12.947 -12.080 324 HG22 THR 47 HG22 THR 47 21.635 -13.767 -10.528 325 HG23 THR 47 HG23 THR 47 20.238 -12.626 -10.598 326 H GLY 48 HN GLY 48 17.156 -14.675 -10.085 327 HA2 GLY 48 HA2 GLY 48 17.674 -12.537 -8.282 328 HA3 GLY 48 HA1 GLY 48 16.067 -13.222 -8.778 329 H CYS 49 HN CYS 49 16.517 -15.968 -7.905 330 HA CYS 49 HA CYS 49 17.130 -15.689 -5.081 331 HB2 CYS 49 HB2 CYS 49 14.829 -17.063 -4.738 332 HB3 CYS 49 HB1 CYS 49 14.893 -15.282 -4.611 333 HA PRO 50 HA PRO 50 18.573 -19.474 -7.411 334 HB2 PRO 50 HB2 PRO 50 20.637 -19.607 -5.375 335 HB3 PRO 50 HB1 PRO 50 20.831 -19.139 -7.117 336 HG2 PRO 50 HG2 PRO 50 20.531 -17.385 -4.665 337 HG3 PRO 50 HG1 PRO 50 21.337 -17.031 -6.249 338 HD2 PRO 50 HD2 PRO 50 18.936 -15.921 -5.579 339 HD3 PRO 50 HD1 PRO 50 19.323 -16.381 -7.280 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 10.532 -30.937 5.895 2 H2 SER 1 HT2 SER 1 11.711 -29.904 6.552 3 H3 SER 1 HT3 SER 1 11.096 -29.611 4.995 4 HA SER 1 HA SER 1 9.152 -28.777 5.733 5 HB2 SER 1 HB2 SER 1 8.703 -30.884 7.173 6 HB3 SER 1 HB1 SER 1 9.598 -30.040 8.499 7 HG SER 1 HG SER 1 8.038 -28.614 8.671 8 H SER 2 HN SER 2 10.616 -26.882 5.421 9 HA SER 2 HA SER 2 10.870 -25.507 7.937 10 HB2 SER 2 HB2 SER 2 13.150 -26.626 7.738 11 HB3 SER 2 HB1 SER 2 13.328 -25.866 6.106 12 HG SER 2 HG SER 2 13.530 -23.949 6.998 13 H THR 3 HN THR 3 10.824 -23.200 7.610 14 HA THR 3 HA THR 3 9.786 -22.534 5.035 15 HB THR 3 HB THR 3 10.557 -20.700 7.351 16 HG1 THR 3 HG1 THR 3 8.027 -20.801 7.192 17 HG21 THR 3 HG21 THR 3 8.757 -20.265 4.889 18 HG22 THR 3 HG22 THR 3 10.411 -19.583 5.110 19 HG23 THR 3 HG23 THR 3 9.069 -19.069 6.199 20 HA PRO 4 HA PRO 4 13.744 -21.730 3.295 21 HB2 PRO 4 HB2 PRO 4 12.845 -20.224 1.129 22 HB3 PRO 4 HB1 PRO 4 12.830 -22.037 1.188 23 HG2 PRO 4 HG2 PRO 4 10.573 -20.057 1.724 24 HG3 PRO 4 HG1 PRO 4 10.531 -21.651 0.863 25 HD2 PRO 4 HD2 PRO 4 9.651 -21.348 3.449 26 HD3 PRO 4 HD1 PRO 4 10.426 -22.875 2.860 27 H ASP 5 HN ASP 5 11.542 -18.878 2.903 28 HA ASP 5 HA ASP 5 13.169 -17.351 4.622 29 HB2 ASP 5 HB2 ASP 5 14.404 -17.419 2.291 30 HB3 ASP 5 HB1 ASP 5 13.053 -16.372 1.755 31 H GLY 6 HN GLY 6 12.184 -15.054 2.589 32 HA2 GLY 6 HA2 GLY 6 9.384 -15.238 2.733 33 HA3 GLY 6 HA1 GLY 6 10.088 -14.178 4.037 34 H THR 7 HN THR 7 12.460 -13.442 2.386 35 HA THR 7 HA THR 7 11.037 -11.502 0.697 36 HB THR 7 HB THR 7 13.920 -11.582 1.730 37 HG1 THR 7 HG1 THR 7 12.702 -9.350 2.275 38 HG21 THR 7 HG21 THR 7 14.081 -10.643 -0.468 39 HG22 THR 7 HG22 THR 7 13.919 -9.207 0.613 40 HG23 THR 7 HG23 THR 7 12.494 -9.797 -0.322 41 H TRP 8 HN TRP 8 13.371 -14.135 0.810 42 HA TRP 8 HA TRP 8 14.333 -13.875 -1.776 43 HB2 TRP 8 HB2 TRP 8 15.593 -15.497 -0.723 44 HB3 TRP 8 HB1 TRP 8 14.253 -15.965 0.342 45 HD1 TRP 8 HD1 TRP 8 15.957 -17.011 -2.929 46 HE1 TRP 8 HE1 TRP 8 14.856 -19.155 -3.748 47 HE3 TRP 8 HE3 TRP 8 12.023 -17.180 0.272 48 HZ2 TRP 8 HZ2 TRP 8 12.603 -20.704 -3.104 49 HZ3 TRP 8 HZ3 TRP 8 10.426 -19.024 0.109 50 HH2 TRP 8 HH2 TRP 8 10.719 -20.771 -1.572 51 H VAL 9 HN VAL 9 11.361 -15.360 -0.389 52 HA VAL 9 HA VAL 9 10.636 -16.645 -2.815 53 HB VAL 9 HB VAL 9 9.694 -17.276 -0.568 54 HG11 VAL 9 HG11 VAL 9 8.328 -15.806 0.647 55 HG12 VAL 9 HG12 VAL 9 7.807 -14.900 -0.822 56 HG13 VAL 9 HG13 VAL 9 9.443 -14.623 -0.124 57 HG21 VAL 9 HG21 VAL 9 8.649 -17.926 -2.739 58 HG22 VAL 9 HG22 VAL 9 7.699 -16.382 -2.738 59 HG23 VAL 9 HG23 VAL 9 7.408 -17.629 -1.463 60 H LYS 10 HN LYS 10 10.370 -13.351 -1.538 61 HA LYS 10 HA LYS 10 8.213 -12.575 -3.165 62 HB2 LYS 10 HB2 LYS 10 10.589 -10.962 -2.062 63 HB3 LYS 10 HB1 LYS 10 9.261 -10.214 -3.013 64 HG2 LYS 10 HG2 LYS 10 7.599 -10.849 -1.333 65 HG3 LYS 10 HG1 LYS 10 8.817 -11.808 -0.424 66 HD2 LYS 10 HD2 LYS 10 8.513 -9.694 0.734 67 HD3 LYS 10 HD1 LYS 10 10.136 -9.671 -0.037 68 HE2 LYS 10 HE2 LYS 10 9.268 -8.255 -1.895 69 HE3 LYS 10 HE1 LYS 10 7.596 -8.334 -1.200 70 HZ1 LYS 10 HZ1 LYS 10 9.513 -7.509 0.738 71 HZ2 LYS 10 HZ2 LYS 10 8.099 -6.739 0.196 72 HZ3 LYS 10 HZ3 LYS 10 9.563 -6.510 -0.635 73 H CYS 11 HN CYS 11 11.595 -13.327 -3.767 74 HA CYS 11 HA CYS 11 11.711 -11.887 -6.220 75 HB2 CYS 11 HB2 CYS 11 13.904 -12.318 -5.462 76 HB3 CYS 11 HB1 CYS 11 13.450 -13.908 -4.808 77 H ARG 12 HN ARG 12 11.034 -15.232 -5.108 78 HA ARG 12 HA ARG 12 10.852 -16.394 -7.591 79 HB2 ARG 12 HB2 ARG 12 9.141 -16.907 -5.107 80 HB3 ARG 12 HB1 ARG 12 9.257 -17.986 -6.510 81 HG2 ARG 12 HG2 ARG 12 11.771 -17.188 -5.057 82 HG3 ARG 12 HG1 ARG 12 10.690 -18.434 -4.353 83 HD2 ARG 12 HD2 ARG 12 10.847 -19.744 -6.527 84 HD3 ARG 12 HD1 ARG 12 12.061 -18.521 -7.109 85 HE ARG 12 HE ARG 12 13.081 -19.268 -4.661 86 HH11 ARG 12 HH11 ARG 12 11.842 -21.043 -7.492 87 HH12 ARG 12 HH12 ARG 12 12.902 -22.400 -7.303 88 HH21 ARG 12 HH21 ARG 12 14.530 -21.126 -4.405 89 HH22 ARG 12 HH22 ARG 12 14.454 -22.447 -5.520 90 H HIS 13 HN HIS 13 8.481 -14.620 -5.582 91 HA HIS 13 HA HIS 13 6.393 -14.974 -7.500 92 HB2 HIS 13 HB2 HIS 13 5.722 -14.481 -5.206 93 HB3 HIS 13 HB1 HIS 13 6.766 -13.015 -5.167 94 HD2 HIS 13 HD2 HIS 13 5.480 -10.694 -5.871 95 HE1 HIS 13 HE1 HIS 13 2.028 -12.506 -7.512 96 HE2 HIS 13 HE2 HIS 13 3.144 -10.317 -6.856 97 H ASP 14 HN ASP 14 8.882 -12.454 -6.836 98 HA ASP 14 HA ASP 14 7.817 -10.489 -8.502 99 HB2 ASP 14 HB2 ASP 14 9.876 -10.254 -6.940 100 HB3 ASP 14 HB1 ASP 14 10.817 -11.061 -8.233 101 H CYS 15 HN CYS 15 10.248 -13.111 -9.271 102 HA CYS 15 HA CYS 15 10.247 -12.336 -12.025 103 HB2 CYS 15 HB2 CYS 15 11.109 -14.976 -10.681 104 HB3 CYS 15 HB1 CYS 15 11.350 -14.606 -12.416 105 H PHE 16 HN PHE 16 8.256 -14.362 -9.948 106 HA PHE 16 HA PHE 16 7.221 -15.981 -11.986 107 HB2 PHE 16 HB2 PHE 16 6.813 -16.414 -9.557 108 HB3 PHE 16 HB1 PHE 16 5.776 -14.950 -9.501 109 HD1 PHE 16 HD1 PHE 16 6.172 -18.025 -11.593 110 HD2 PHE 16 HD2 PHE 16 3.579 -15.308 -9.603 111 HE1 PHE 16 HE1 PHE 16 4.239 -19.376 -12.248 112 HE2 PHE 16 HE2 PHE 16 1.652 -16.668 -10.269 113 HZ PHE 16 HZ PHE 16 1.984 -18.704 -11.589 114 H THR 17 HN THR 17 6.170 -12.796 -10.610 115 HA THR 17 HA THR 17 3.903 -12.634 -12.285 116 HB THR 17 HB THR 17 4.004 -10.176 -11.893 117 HG1 THR 17 HG1 THR 17 6.515 -10.914 -10.839 118 HG21 THR 17 HG21 THR 17 4.729 -11.187 -9.191 119 HG22 THR 17 HG22 THR 17 3.545 -12.233 -10.064 120 HG23 THR 17 HG23 THR 17 3.178 -10.487 -9.786 121 H LYS 18 HN LYS 18 7.365 -11.742 -12.704 122 HA LYS 18 HA LYS 18 6.958 -10.436 -15.156 123 HB2 LYS 18 HB2 LYS 18 9.363 -11.816 -13.898 124 HB3 LYS 18 HB1 LYS 18 9.434 -11.248 -15.602 125 HG2 LYS 18 HG2 LYS 18 10.263 -9.694 -13.608 126 HG3 LYS 18 HG1 LYS 18 9.400 -9.004 -15.023 127 HD2 LYS 18 HD2 LYS 18 7.357 -8.771 -13.814 128 HD3 LYS 18 HD1 LYS 18 7.889 -9.893 -12.520 129 HE2 LYS 18 HE2 LYS 18 7.955 -7.563 -11.701 130 HE3 LYS 18 HE1 LYS 18 9.642 -8.204 -11.826 131 HZ1 LYS 18 HZ1 LYS 18 8.941 -7.071 -14.279 132 HZ2 LYS 18 HZ2 LYS 18 10.098 -6.548 -13.152 133 HZ3 LYS 18 HZ3 LYS 18 8.505 -5.968 -13.064 134 H TYR 19 HN TYR 19 7.201 -13.813 -14.129 135 HA TYR 19 HA TYR 19 7.630 -14.774 -16.778 136 HB2 TYR 19 HB2 TYR 19 8.301 -16.344 -15.152 137 HB3 TYR 19 HB1 TYR 19 6.883 -16.018 -14.112 138 HD1 TYR 19 HD1 TYR 19 7.929 -17.536 -17.329 139 HD2 TYR 19 HD2 TYR 19 5.026 -17.314 -14.243 140 HE1 TYR 19 HE1 TYR 19 6.789 -19.484 -18.270 141 HE2 TYR 19 HE2 TYR 19 3.896 -19.259 -15.188 142 HH TYR 19 HH TYR 19 3.683 -20.551 -17.099 143 H LYS 20 HN LYS 20 4.827 -14.478 -14.518 144 HA LYS 20 HA LYS 20 2.963 -15.608 -16.236 145 HB2 LYS 20 HB2 LYS 20 2.520 -13.230 -14.347 146 HB3 LYS 20 HB1 LYS 20 1.251 -14.305 -15.008 147 HG2 LYS 20 HG2 LYS 20 3.433 -15.743 -13.604 148 HG3 LYS 20 HG1 LYS 20 2.516 -14.606 -12.562 149 HD2 LYS 20 HD2 LYS 20 1.277 -16.579 -12.339 150 HD3 LYS 20 HD1 LYS 20 0.380 -15.732 -13.626 151 HE2 LYS 20 HE2 LYS 20 2.590 -17.506 -14.625 152 HE3 LYS 20 HE1 LYS 20 1.233 -18.369 -13.788 153 HZ1 LYS 20 HZ1 LYS 20 0.644 -16.291 -15.789 154 HZ2 LYS 20 HZ2 LYS 20 -0.258 -17.651 -15.324 155 HZ3 LYS 20 HZ3 LYS 20 1.126 -17.842 -16.299 156 H SER 21 HN SER 21 4.382 -12.334 -15.982 157 HA SER 21 HA SER 21 2.580 -11.194 -17.871 158 HB2 SER 21 HB2 SER 21 5.457 -10.371 -17.126 159 HB3 SER 21 HB1 SER 21 4.344 -9.383 -18.154 160 HG SER 21 HG SER 21 4.030 -10.165 -15.441 161 H CYS 22 HN CYS 22 5.478 -13.226 -18.063 162 HA CYS 22 HA CYS 22 6.051 -12.562 -20.767 163 HB2 CYS 22 HB2 CYS 22 7.612 -13.779 -19.028 164 HB3 CYS 22 HB1 CYS 22 6.668 -15.242 -19.459 165 H GLN 23 HN GLN 23 4.030 -14.994 -19.065 166 HA GLN 23 HA GLN 23 3.417 -16.390 -21.463 167 HB2 GLN 23 HB2 GLN 23 2.048 -16.277 -18.715 168 HB3 GLN 23 HB1 GLN 23 1.376 -17.236 -20.082 169 HG2 GLN 23 HG2 GLN 23 3.647 -18.461 -20.216 170 HG3 GLN 23 HG1 GLN 23 4.072 -17.641 -18.658 171 HE21 GLN 23 HE21 GLN 23 2.470 -20.329 -20.089 172 HE22 GLN 23 HE22 GLN 23 1.616 -20.894 -18.695 173 H MET 24 HN MET 24 2.360 -13.398 -19.941 174 HA MET 24 HA MET 24 -0.137 -13.396 -21.378 175 HB2 MET 24 HB2 MET 24 1.343 -11.221 -19.819 176 HB3 MET 24 HB1 MET 24 -0.246 -10.986 -20.612 177 HG2 MET 24 HG2 MET 24 0.284 -13.137 -18.519 178 HG3 MET 24 HG1 MET 24 -0.286 -11.498 -18.120 179 HE1 MET 24 HE1 MET 24 -1.177 -14.875 -20.190 180 HE2 MET 24 HE2 MET 24 -2.572 -15.164 -19.092 181 HE3 MET 24 HE3 MET 24 -0.945 -14.831 -18.406 182 H SER 25 HN SER 25 3.198 -12.690 -21.914 183 HA SER 25 HA SER 25 2.783 -10.624 -23.809 184 HB2 SER 25 HB2 SER 25 5.128 -12.604 -23.554 185 HB3 SER 25 HB1 SER 25 5.120 -11.135 -24.613 186 HG SER 25 HG SER 25 4.534 -10.951 -21.858 187 H ASP 26 HN ASP 26 3.248 -10.892 -26.195 188 HA ASP 26 HA ASP 26 1.765 -13.207 -27.093 189 HB2 ASP 26 HB2 ASP 26 2.884 -10.751 -28.534 190 HB3 ASP 26 HB1 ASP 26 2.071 -12.108 -29.388 191 H SER 27 HN SER 27 4.724 -12.981 -25.998 192 HA SER 27 HA SER 27 6.178 -13.821 -28.331 193 HB2 SER 27 HB2 SER 27 6.972 -13.842 -25.352 194 HB3 SER 27 HB1 SER 27 8.082 -14.255 -26.721 195 HG SER 27 HG SER 27 8.310 -12.243 -27.116 196 H CYS 28 HN CYS 28 3.926 -15.143 -26.187 197 HA CYS 28 HA CYS 28 5.169 -17.754 -26.194 198 HB2 CYS 28 HB2 CYS 28 3.771 -16.950 -24.218 199 HB3 CYS 28 HB1 CYS 28 2.356 -16.920 -25.323 200 H HIS 29 HN HIS 29 5.327 -17.874 -28.593 201 HA HIS 29 HA HIS 29 2.775 -17.930 -29.959 202 HB2 HIS 29 HB2 HIS 29 5.452 -18.829 -31.134 203 HB3 HIS 29 HB1 HIS 29 4.005 -18.208 -32.016 204 HD2 HIS 29 HD2 HIS 29 7.060 -16.821 -29.881 205 HE1 HIS 29 HE1 HIS 29 5.167 -13.644 -31.933 206 HE2 HIS 29 HE2 HIS 29 7.149 -14.334 -30.497 207 H ASP 30 HN ASP 30 5.174 -20.101 -28.480 208 HA ASP 30 HA ASP 30 3.348 -22.266 -29.137 209 HB2 ASP 30 HB2 ASP 30 5.743 -22.073 -30.541 210 HB3 ASP 30 HB1 ASP 30 6.256 -23.010 -29.092 211 H GLU 31 HN GLU 31 4.194 -24.309 -27.747 212 HA GLU 31 HA GLU 31 4.059 -23.409 -25.079 213 HB2 GLU 31 HB2 GLU 31 4.835 -26.144 -26.250 214 HB3 GLU 31 HB1 GLU 31 4.653 -25.829 -24.486 215 HG2 GLU 31 HG2 GLU 31 2.244 -25.237 -24.791 216 HG3 GLU 31 HG1 GLU 31 2.407 -25.473 -26.579 217 H GLN 32 HN GLN 32 6.705 -24.431 -27.288 218 HA GLN 32 HA GLN 32 8.685 -24.574 -25.304 219 HB2 GLN 32 HB2 GLN 32 8.971 -25.391 -27.686 220 HB3 GLN 32 HB1 GLN 32 9.002 -23.680 -28.212 221 HG2 GLN 32 HG2 GLN 32 11.048 -23.247 -26.882 222 HG3 GLN 32 HG1 GLN 32 11.004 -24.939 -26.243 223 HE21 GLN 32 HE21 GLN 32 13.295 -24.351 -27.506 224 HE22 GLN 32 HE22 GLN 32 13.368 -25.030 -29.095 225 H SER 33 HN SER 33 7.370 -21.893 -27.319 226 HA SER 33 HA SER 33 9.269 -20.004 -26.501 227 HB2 SER 33 HB2 SER 33 6.311 -19.561 -27.240 228 HB3 SER 33 HB1 SER 33 7.550 -18.254 -27.095 229 HG SER 33 HG SER 33 8.571 -19.005 -28.827 230 H CYS 34 HN CYS 34 6.108 -21.105 -25.104 231 HA CYS 34 HA CYS 34 6.208 -19.172 -23.014 232 HB2 CYS 34 HB2 CYS 34 4.512 -21.540 -23.705 233 HB3 CYS 34 HB1 CYS 34 4.763 -21.323 -21.939 234 H HIS 35 HN HIS 35 7.590 -22.414 -23.592 235 HA HIS 35 HA HIS 35 8.200 -22.927 -20.878 236 HB2 HIS 35 HB2 HIS 35 8.357 -24.752 -22.568 237 HB3 HIS 35 HB1 HIS 35 9.652 -23.841 -23.424 238 HD2 HIS 35 HD2 HIS 35 12.142 -24.668 -22.718 239 HE1 HIS 35 HE1 HIS 35 11.144 -26.244 -18.923 240 HE2 HIS 35 HE2 HIS 35 12.990 -25.903 -20.639 241 H GLN 36 HN GLN 36 9.797 -21.126 -23.541 242 HA GLN 36 HA GLN 36 12.250 -20.782 -22.243 243 HB2 GLN 36 HB2 GLN 36 10.742 -18.943 -24.160 244 HB3 GLN 36 HB1 GLN 36 12.410 -18.623 -23.595 245 HG2 GLN 36 HG2 GLN 36 11.735 -21.308 -24.891 246 HG3 GLN 36 HG1 GLN 36 12.045 -19.843 -25.907 247 HE21 GLN 36 HE21 GLN 36 13.440 -22.153 -23.595 248 HE22 GLN 36 HE22 GLN 36 15.084 -21.671 -23.797 249 H CYS 37 HN CYS 37 9.107 -19.115 -22.018 250 HA CYS 37 HA CYS 37 10.041 -16.965 -20.472 251 HB2 CYS 37 HB2 CYS 37 7.326 -18.363 -20.528 252 HB3 CYS 37 HB1 CYS 37 7.657 -16.899 -19.567 253 H HIS 38 HN HIS 38 8.972 -20.261 -19.733 254 HA HIS 38 HA HIS 38 9.014 -19.852 -16.931 255 HB2 HIS 38 HB2 HIS 38 7.744 -21.743 -18.051 256 HB3 HIS 38 HB1 HIS 38 9.338 -22.478 -18.463 257 HD2 HIS 38 HD2 HIS 38 10.834 -23.408 -16.194 258 HE1 HIS 38 HE1 HIS 38 7.442 -23.320 -13.661 259 HE2 HIS 38 HE2 HIS 38 9.839 -24.139 -13.939 260 H VAL 39 HN VAL 39 11.275 -20.994 -19.418 261 HA VAL 39 HA VAL 39 13.235 -21.827 -17.572 262 HB VAL 39 HB VAL 39 13.427 -20.835 -20.445 263 HG11 VAL 39 HG11 VAL 39 15.749 -22.013 -20.238 264 HG12 VAL 39 HG12 VAL 39 15.524 -21.863 -18.454 265 HG13 VAL 39 HG13 VAL 39 15.575 -20.383 -19.484 266 HG21 VAL 39 HG21 VAL 39 12.492 -22.890 -20.771 267 HG22 VAL 39 HG22 VAL 39 12.765 -23.384 -19.053 268 HG23 VAL 39 HG23 VAL 39 14.090 -23.558 -20.269 269 H LYS 40 HN LYS 40 12.385 -18.694 -19.145 270 HA LYS 40 HA LYS 40 14.732 -17.380 -18.251 271 HB2 LYS 40 HB2 LYS 40 11.923 -16.320 -18.901 272 HB3 LYS 40 HB1 LYS 40 13.291 -15.249 -18.433 273 HG2 LYS 40 HG2 LYS 40 14.372 -15.483 -20.449 274 HG3 LYS 40 HG1 LYS 40 13.861 -17.194 -20.656 275 HD2 LYS 40 HD2 LYS 40 12.349 -16.464 -22.161 276 HD3 LYS 40 HD1 LYS 40 11.445 -15.728 -20.797 277 HE2 LYS 40 HE2 LYS 40 12.642 -13.579 -21.105 278 HE3 LYS 40 HE1 LYS 40 13.669 -14.310 -22.407 279 HZ1 LYS 40 HZ1 LYS 40 11.786 -13.021 -23.228 280 HZ2 LYS 40 HZ2 LYS 40 10.702 -14.094 -22.482 281 HZ3 LYS 40 HZ3 LYS 40 11.725 -14.643 -23.722 282 H HIS 41 HN HIS 41 11.512 -18.083 -16.895 283 HA HIS 41 HA HIS 41 11.811 -16.470 -14.623 284 HB2 HIS 41 HB2 HIS 41 9.620 -17.426 -15.164 285 HB3 HIS 41 HB1 HIS 41 10.283 -19.082 -15.052 286 HD2 HIS 41 HD2 HIS 41 9.231 -16.108 -12.632 287 HE1 HIS 41 HE1 HIS 41 9.754 -19.647 -10.407 288 HE2 HIS 41 HE2 HIS 41 8.987 -17.228 -10.347 289 H THR 42 HN THR 42 12.710 -19.849 -15.439 290 HA THR 42 HA THR 42 13.523 -20.554 -12.877 291 HB THR 42 HB THR 42 14.543 -21.458 -15.619 292 HG1 THR 42 HG1 THR 42 12.354 -21.892 -14.989 293 HG21 THR 42 HG21 THR 42 15.318 -22.175 -12.780 294 HG22 THR 42 HG22 THR 42 16.318 -22.115 -14.277 295 HG23 THR 42 HG23 THR 42 15.205 -23.502 -13.991 296 H ASP 43 HN ASP 43 15.318 -19.021 -15.648 297 HA ASP 43 HA ASP 43 17.754 -18.935 -14.169 298 HB2 ASP 43 HB2 ASP 43 16.789 -17.349 -16.615 299 HB3 ASP 43 HB1 ASP 43 18.434 -17.160 -15.906 300 H CYS 44 HN CYS 44 14.910 -16.821 -14.519 301 HA CYS 44 HA CYS 44 16.125 -14.517 -13.409 302 HB2 CYS 44 HB2 CYS 44 13.856 -14.573 -14.675 303 HB3 CYS 44 HB1 CYS 44 13.166 -15.302 -13.190 304 H VAL 45 HN VAL 45 14.450 -17.374 -12.175 305 HA VAL 45 HA VAL 45 14.400 -16.353 -9.532 306 HB VAL 45 HB VAL 45 13.786 -18.949 -10.889 307 HG11 VAL 45 HG11 VAL 45 14.474 -18.603 -7.896 308 HG12 VAL 45 HG12 VAL 45 15.268 -19.712 -9.086 309 HG13 VAL 45 HG13 VAL 45 13.564 -20.007 -8.562 310 HG21 VAL 45 HG21 VAL 45 11.696 -18.628 -9.429 311 HG22 VAL 45 HG22 VAL 45 11.989 -17.328 -10.651 312 HG23 VAL 45 HG23 VAL 45 12.390 -17.045 -8.911 313 H ASN 46 HN ASN 46 16.475 -18.460 -11.485 314 HA ASN 46 HA ASN 46 18.026 -19.345 -9.330 315 HB2 ASN 46 HB2 ASN 46 18.493 -19.038 -12.303 316 HB3 ASN 46 HB1 ASN 46 19.839 -19.511 -11.213 317 HD21 ASN 46 HD21 ASN 46 18.250 -20.954 -13.406 318 HD22 ASN 46 HD22 ASN 46 17.762 -22.438 -12.674 319 H THR 47 HN THR 47 18.038 -16.339 -11.228 320 HA THR 47 HA THR 47 20.593 -15.644 -10.028 321 HB THR 47 HB THR 47 18.791 -14.012 -11.874 322 HG1 THR 47 HG1 THR 47 19.641 -15.817 -12.887 323 HG21 THR 47 HG21 THR 47 20.155 -12.472 -10.646 324 HG22 THR 47 HG22 THR 47 21.082 -12.767 -12.168 325 HG23 THR 47 HG23 THR 47 21.571 -13.592 -10.639 326 H GLY 48 HN GLY 48 17.143 -14.550 -10.072 327 HA2 GLY 48 HA2 GLY 48 17.698 -12.464 -8.216 328 HA3 GLY 48 HA1 GLY 48 16.082 -13.129 -8.707 329 H CYS 49 HN CYS 49 16.536 -15.903 -7.913 330 HA CYS 49 HA CYS 49 17.153 -15.680 -5.079 331 HB2 CYS 49 HB2 CYS 49 14.890 -17.124 -4.782 332 HB3 CYS 49 HB1 CYS 49 14.905 -15.346 -4.610 333 HA PRO 50 HA PRO 50 18.663 -19.409 -7.445 334 HB2 PRO 50 HB2 PRO 50 20.827 -19.508 -5.548 335 HB3 PRO 50 HB1 PRO 50 20.909 -18.931 -7.267 336 HG2 PRO 50 HG2 PRO 50 20.608 -17.339 -4.696 337 HG3 PRO 50 HG1 PRO 50 21.403 -16.877 -6.258 338 HD2 PRO 50 HD2 PRO 50 18.981 -15.863 -5.543 339 HD3 PRO 50 HD1 PRO 50 19.363 -16.254 -7.264 Start of MODEL 11 1 H1 SER 1 HT1 SER 1 11.143 -29.587 5.850 2 H2 SER 1 HT2 SER 1 9.968 -30.800 5.656 3 H3 SER 1 HT3 SER 1 10.515 -30.388 7.212 4 HA SER 1 HA SER 1 8.908 -28.734 5.376 5 HB2 SER 1 HB2 SER 1 7.762 -30.564 6.818 6 HB3 SER 1 HB1 SER 1 8.290 -29.603 8.257 7 HG SER 1 HG SER 1 6.952 -28.047 7.735 8 H SER 2 HN SER 2 10.680 -27.072 5.368 9 HA SER 2 HA SER 2 10.516 -25.555 7.868 10 HB2 SER 2 HB2 SER 2 13.045 -25.934 6.142 11 HB3 SER 2 HB1 SER 2 12.900 -24.794 7.540 12 HG SER 2 HG SER 2 12.082 -27.298 8.176 13 H THR 3 HN THR 3 10.527 -23.230 7.548 14 HA THR 3 HA THR 3 9.526 -22.566 4.951 15 HB THR 3 HB THR 3 10.242 -20.732 7.286 16 HG1 THR 3 HG1 THR 3 7.682 -20.893 6.975 17 HG21 THR 3 HG21 THR 3 10.137 -19.611 5.046 18 HG22 THR 3 HG22 THR 3 8.770 -19.106 6.106 19 HG23 THR 3 HG23 THR 3 8.493 -20.301 4.786 20 HA PRO 4 HA PRO 4 13.513 -21.741 3.292 21 HB2 PRO 4 HB2 PRO 4 12.655 -20.210 1.124 22 HB3 PRO 4 HB1 PRO 4 12.638 -22.024 1.163 23 HG2 PRO 4 HG2 PRO 4 10.372 -20.048 1.675 24 HG3 PRO 4 HG1 PRO 4 10.347 -21.635 0.799 25 HD2 PRO 4 HD2 PRO 4 9.417 -21.354 3.373 26 HD3 PRO 4 HD1 PRO 4 10.201 -22.876 2.782 27 H ASP 5 HN ASP 5 11.331 -18.878 2.871 28 HA ASP 5 HA ASP 5 12.912 -17.373 4.649 29 HB2 ASP 5 HB2 ASP 5 14.222 -17.431 2.358 30 HB3 ASP 5 HB1 ASP 5 12.895 -16.373 1.786 31 H GLY 6 HN GLY 6 12.006 -15.056 2.600 32 HA2 GLY 6 HA2 GLY 6 9.203 -15.225 2.650 33 HA3 GLY 6 HA1 GLY 6 9.866 -14.184 3.991 34 H THR 7 HN THR 7 12.300 -13.454 2.417 35 HA THR 7 HA THR 7 10.949 -11.474 0.716 36 HB THR 7 HB THR 7 13.802 -11.601 1.824 37 HG1 THR 7 HG1 THR 7 12.271 -9.394 2.245 38 HG21 THR 7 HG21 THR 7 14.029 -10.621 -0.347 39 HG22 THR 7 HG22 THR 7 13.843 -9.204 0.754 40 HG23 THR 7 HG23 THR 7 12.443 -9.772 -0.232 41 H TRP 8 HN TRP 8 13.255 -14.133 0.856 42 HA TRP 8 HA TRP 8 14.294 -13.851 -1.698 43 HB2 TRP 8 HB2 TRP 8 15.506 -15.505 -0.642 44 HB3 TRP 8 HB1 TRP 8 14.141 -15.956 0.397 45 HD1 TRP 8 HD1 TRP 8 15.893 -17.022 -2.842 46 HE1 TRP 8 HE1 TRP 8 14.775 -19.146 -3.691 47 HE3 TRP 8 HE3 TRP 8 11.887 -17.134 0.272 48 HZ2 TRP 8 HZ2 TRP 8 12.486 -20.659 -3.102 49 HZ3 TRP 8 HZ3 TRP 8 10.265 -18.953 0.070 50 HH2 TRP 8 HH2 TRP 8 10.567 -20.699 -1.611 51 H VAL 9 HN VAL 9 11.266 -15.309 -0.422 52 HA VAL 9 HA VAL 9 10.598 -16.571 -2.873 53 HB VAL 9 HB VAL 9 9.571 -17.188 -0.659 54 HG11 VAL 9 HG11 VAL 9 7.728 -14.787 -0.964 55 HG12 VAL 9 HG12 VAL 9 9.352 -14.524 -0.231 56 HG13 VAL 9 HG13 VAL 9 8.206 -15.693 0.518 57 HG21 VAL 9 HG21 VAL 9 7.312 -17.503 -1.627 58 HG22 VAL 9 HG22 VAL 9 8.586 -17.815 -2.866 59 HG23 VAL 9 HG23 VAL 9 7.659 -16.256 -2.886 60 H LYS 10 HN LYS 10 10.363 -13.270 -1.616 61 HA LYS 10 HA LYS 10 8.257 -12.455 -3.296 62 HB2 LYS 10 HB2 LYS 10 10.651 -10.863 -2.196 63 HB3 LYS 10 HB1 LYS 10 9.294 -10.117 -3.107 64 HG2 LYS 10 HG2 LYS 10 7.682 -10.898 -1.375 65 HG3 LYS 10 HG1 LYS 10 9.027 -11.664 -0.463 66 HD2 LYS 10 HD2 LYS 10 10.113 -9.411 -0.201 67 HD3 LYS 10 HD1 LYS 10 8.739 -8.657 -1.082 68 HE2 LYS 10 HE2 LYS 10 8.474 -10.246 1.562 69 HE3 LYS 10 HE1 LYS 10 8.512 -8.438 1.426 70 HZ1 LYS 10 HZ1 LYS 10 6.331 -8.695 1.278 71 HZ2 LYS 10 HZ2 LYS 10 6.406 -10.325 0.808 72 HZ3 LYS 10 HZ3 LYS 10 6.619 -9.098 -0.346 73 H CYS 11 HN CYS 11 11.645 -13.259 -3.817 74 HA CYS 11 HA CYS 11 11.837 -11.835 -6.273 75 HB2 CYS 11 HB2 CYS 11 14.006 -12.303 -5.472 76 HB3 CYS 11 HB1 CYS 11 13.509 -13.878 -4.811 77 H ARG 12 HN ARG 12 11.084 -15.166 -5.168 78 HA ARG 12 HA ARG 12 10.935 -16.334 -7.649 79 HB2 ARG 12 HB2 ARG 12 9.154 -16.806 -5.207 80 HB3 ARG 12 HB1 ARG 12 9.288 -17.894 -6.601 81 HG2 ARG 12 HG2 ARG 12 11.781 -17.131 -5.094 82 HG3 ARG 12 HG1 ARG 12 10.659 -18.346 -4.400 83 HD2 ARG 12 HD2 ARG 12 10.836 -19.682 -6.558 84 HD3 ARG 12 HD1 ARG 12 12.093 -18.494 -7.120 85 HE ARG 12 HE ARG 12 13.039 -19.234 -4.647 86 HH11 ARG 12 HH11 ARG 12 11.795 -21.030 -7.463 87 HH12 ARG 12 HH12 ARG 12 12.807 -22.415 -7.225 88 HH21 ARG 12 HH21 ARG 12 14.423 -21.131 -4.324 89 HH22 ARG 12 HH22 ARG 12 14.324 -22.472 -5.413 90 H HIS 13 HN HIS 13 8.554 -14.509 -5.705 91 HA HIS 13 HA HIS 13 6.503 -14.838 -7.658 92 HB2 HIS 13 HB2 HIS 13 5.795 -14.308 -5.385 93 HB3 HIS 13 HB1 HIS 13 6.868 -12.864 -5.340 94 HD2 HIS 13 HD2 HIS 13 5.658 -10.522 -6.120 95 HE1 HIS 13 HE1 HIS 13 2.180 -12.281 -7.762 96 HE2 HIS 13 HE2 HIS 13 3.344 -10.107 -7.139 97 H ASP 14 HN ASP 14 9.025 -12.362 -6.977 98 HA ASP 14 HA ASP 14 8.023 -10.397 -8.685 99 HB2 ASP 14 HB2 ASP 14 10.053 -10.181 -7.083 100 HB3 ASP 14 HB1 ASP 14 11.008 -11.010 -8.354 101 H CYS 15 HN CYS 15 10.445 -13.055 -9.382 102 HA CYS 15 HA CYS 15 10.515 -12.310 -12.142 103 HB2 CYS 15 HB2 CYS 15 11.293 -14.958 -10.764 104 HB3 CYS 15 HB1 CYS 15 11.590 -14.597 -12.493 105 H PHE 16 HN PHE 16 8.462 -14.317 -10.101 106 HA PHE 16 HA PHE 16 7.436 -15.930 -12.138 107 HB2 PHE 16 HB2 PHE 16 6.959 -16.319 -9.719 108 HB3 PHE 16 HB1 PHE 16 5.970 -14.822 -9.697 109 HD1 PHE 16 HD1 PHE 16 6.268 -17.847 -11.887 110 HD2 PHE 16 HD2 PHE 16 3.773 -15.207 -9.674 111 HE1 PHE 16 HE1 PHE 16 4.301 -19.155 -12.525 112 HE2 PHE 16 HE2 PHE 16 1.812 -16.526 -10.322 113 HZ PHE 16 HZ PHE 16 2.075 -18.498 -11.745 114 H THR 17 HN THR 17 6.373 -12.729 -10.812 115 HA THR 17 HA THR 17 4.180 -12.556 -12.584 116 HB THR 17 HB THR 17 4.264 -10.101 -12.161 117 HG1 THR 17 HG1 THR 17 6.752 -10.866 -11.106 118 HG21 THR 17 HG21 THR 17 3.320 -10.452 -10.114 119 HG22 THR 17 HG22 THR 17 4.849 -11.121 -9.435 120 HG23 THR 17 HG23 THR 17 3.736 -12.187 -10.372 121 H LYS 18 HN LYS 18 7.660 -11.678 -12.849 122 HA LYS 18 HA LYS 18 7.377 -10.292 -15.272 123 HB2 LYS 18 HB2 LYS 18 9.693 -11.757 -13.957 124 HB3 LYS 18 HB1 LYS 18 9.849 -11.180 -15.650 125 HG2 LYS 18 HG2 LYS 18 10.638 -9.665 -13.613 126 HG3 LYS 18 HG1 LYS 18 9.855 -8.940 -15.055 127 HD2 LYS 18 HD2 LYS 18 7.807 -8.589 -13.932 128 HD3 LYS 18 HD1 LYS 18 8.166 -9.817 -12.678 129 HE2 LYS 18 HE2 LYS 18 8.328 -7.517 -11.743 130 HE3 LYS 18 HE1 LYS 18 9.950 -8.318 -11.731 131 HZ1 LYS 18 HZ1 LYS 18 10.652 -6.576 -12.831 132 HZ2 LYS 18 HZ2 LYS 18 9.085 -5.966 -13.068 133 HZ3 LYS 18 HZ3 LYS 18 9.740 -7.076 -14.172 134 H TYR 19 HN TYR 19 7.418 -13.705 -14.370 135 HA TYR 19 HA TYR 19 7.917 -14.524 -17.079 136 HB2 TYR 19 HB2 TYR 19 8.635 -16.181 -15.586 137 HB3 TYR 19 HB1 TYR 19 7.262 -15.917 -14.467 138 HD1 TYR 19 HD1 TYR 19 8.203 -17.290 -17.787 139 HD2 TYR 19 HD2 TYR 19 5.379 -17.185 -14.614 140 HE1 TYR 19 HE1 TYR 19 7.021 -19.182 -18.787 141 HE2 TYR 19 HE2 TYR 19 4.197 -19.076 -15.612 142 HH TYR 19 HH TYR 19 4.963 -21.094 -17.247 143 H LYS 20 HN LYS 20 5.127 -14.402 -14.773 144 HA LYS 20 HA LYS 20 3.270 -15.492 -16.534 145 HB2 LYS 20 HB2 LYS 20 2.830 -13.265 -14.489 146 HB3 LYS 20 HB1 LYS 20 1.549 -14.266 -15.241 147 HG2 LYS 20 HG2 LYS 20 3.834 -15.365 -13.565 148 HG3 LYS 20 HG1 LYS 20 2.209 -14.986 -12.945 149 HD2 LYS 20 HD2 LYS 20 2.380 -16.778 -15.369 150 HD3 LYS 20 HD1 LYS 20 2.920 -17.462 -13.803 151 HE2 LYS 20 HE2 LYS 20 0.707 -16.935 -12.786 152 HE3 LYS 20 HE1 LYS 20 0.160 -16.180 -14.338 153 HZ1 LYS 20 HZ1 LYS 20 0.657 -19.002 -13.684 154 HZ2 LYS 20 HZ2 LYS 20 0.855 -18.474 -15.291 155 HZ3 LYS 20 HZ3 LYS 20 -0.641 -18.275 -14.503 156 H SER 21 HN SER 21 4.764 -12.322 -16.276 157 HA SER 21 HA SER 21 2.909 -10.921 -17.837 158 HB2 SER 21 HB2 SER 21 4.877 -9.787 -16.679 159 HB3 SER 21 HB1 SER 21 5.976 -10.575 -17.880 160 HG SER 21 HG SER 21 4.315 -9.520 -19.410 161 H CYS 22 HN CYS 22 5.537 -13.228 -18.652 162 HA CYS 22 HA CYS 22 5.436 -12.694 -21.437 163 HB2 CYS 22 HB2 CYS 22 7.395 -13.865 -20.445 164 HB3 CYS 22 HB1 CYS 22 6.319 -15.195 -19.918 165 H GLN 23 HN GLN 23 3.810 -15.014 -19.220 166 HA GLN 23 HA GLN 23 2.555 -16.439 -21.296 167 HB2 GLN 23 HB2 GLN 23 1.770 -16.028 -18.353 168 HB3 GLN 23 HB1 GLN 23 0.814 -17.057 -19.479 169 HG2 GLN 23 HG2 GLN 23 3.019 -18.378 -19.933 170 HG3 GLN 23 HG1 GLN 23 3.696 -17.500 -18.501 171 HE21 GLN 23 HE21 GLN 23 2.016 -20.278 -19.470 172 HE22 GLN 23 HE22 GLN 23 1.290 -20.713 -17.962 173 H MET 24 HN MET 24 1.991 -13.295 -19.789 174 HA MET 24 HA MET 24 -0.713 -13.205 -20.794 175 HB2 MET 24 HB2 MET 24 1.091 -11.055 -19.574 176 HB3 MET 24 HB1 MET 24 -0.606 -10.789 -20.080 177 HG2 MET 24 HG2 MET 24 0.240 -12.888 -18.032 178 HG3 MET 24 HG1 MET 24 -0.235 -11.223 -17.607 179 HE1 MET 24 HE1 MET 24 -1.483 -14.648 -19.368 180 HE2 MET 24 HE2 MET 24 -2.708 -14.885 -18.074 181 HE3 MET 24 HE3 MET 24 -0.995 -14.563 -17.640 182 H SER 25 HN SER 25 2.556 -12.590 -21.813 183 HA SER 25 HA SER 25 1.803 -10.662 -23.791 184 HB2 SER 25 HB2 SER 25 4.350 -12.375 -23.548 185 HB3 SER 25 HB1 SER 25 4.117 -11.032 -24.739 186 HG SER 25 HG SER 25 3.842 -10.732 -21.925 187 H ASP 26 HN ASP 26 2.313 -11.173 -26.202 188 HA ASP 26 HA ASP 26 0.858 -13.605 -26.782 189 HB2 ASP 26 HB2 ASP 26 1.929 -11.343 -28.547 190 HB3 ASP 26 HB1 ASP 26 1.114 -12.807 -29.205 191 H SER 27 HN SER 27 3.922 -13.026 -25.879 192 HA SER 27 HA SER 27 5.265 -14.306 -28.081 193 HB2 SER 27 HB2 SER 27 6.243 -13.698 -25.218 194 HB3 SER 27 HB1 SER 27 7.283 -14.337 -26.555 195 HG SER 27 HG SER 27 7.577 -12.279 -26.798 196 H CYS 28 HN CYS 28 3.272 -15.188 -25.464 197 HA CYS 28 HA CYS 28 4.566 -17.778 -25.183 198 HB2 CYS 28 HB2 CYS 28 3.557 -16.460 -23.172 199 HB3 CYS 28 HB1 CYS 28 1.958 -16.801 -23.904 200 H HIS 29 HN HIS 29 4.090 -17.942 -27.664 201 HA HIS 29 HA HIS 29 1.313 -18.839 -27.973 202 HB2 HIS 29 HB2 HIS 29 1.732 -18.628 -30.464 203 HB3 HIS 29 HB1 HIS 29 1.831 -17.052 -29.606 204 HD2 HIS 29 HD2 HIS 29 4.499 -15.982 -29.372 205 HE1 HIS 29 HE1 HIS 29 6.118 -18.678 -32.190 206 HE2 HIS 29 HE2 HIS 29 6.509 -16.555 -30.848 207 H ASP 30 HN ASP 30 4.777 -19.582 -28.263 208 HA ASP 30 HA ASP 30 4.019 -22.250 -29.158 209 HB2 ASP 30 HB2 ASP 30 6.658 -20.702 -29.244 210 HB3 ASP 30 HB1 ASP 30 6.641 -22.499 -29.345 211 H GLU 31 HN GLU 31 4.726 -24.071 -27.936 212 HA GLU 31 HA GLU 31 4.709 -23.594 -25.174 213 HB2 GLU 31 HB2 GLU 31 5.563 -26.070 -26.781 214 HB3 GLU 31 HB1 GLU 31 5.474 -26.035 -24.982 215 HG2 GLU 31 HG2 GLU 31 3.030 -25.585 -25.049 216 HG3 GLU 31 HG1 GLU 31 3.080 -25.477 -26.854 217 H GLN 32 HN GLN 32 7.305 -24.150 -27.610 218 HA GLN 32 HA GLN 32 9.357 -24.400 -25.690 219 HB2 GLN 32 HB2 GLN 32 9.586 -25.041 -28.129 220 HB3 GLN 32 HB1 GLN 32 9.549 -23.299 -28.532 221 HG2 GLN 32 HG2 GLN 32 11.624 -22.897 -27.229 222 HG3 GLN 32 HG1 GLN 32 11.653 -24.636 -26.728 223 HE21 GLN 32 HE21 GLN 32 13.883 -23.904 -28.001 224 HE22 GLN 32 HE22 GLN 32 13.920 -24.439 -29.645 225 H SER 33 HN SER 33 7.987 -21.613 -27.563 226 HA SER 33 HA SER 33 9.836 -19.746 -26.566 227 HB2 SER 33 HB2 SER 33 6.910 -19.314 -27.435 228 HB3 SER 33 HB1 SER 33 8.088 -17.980 -27.111 229 HG SER 33 HG SER 33 8.891 -18.299 -28.975 230 H CYS 34 HN CYS 34 6.618 -20.905 -25.396 231 HA CYS 34 HA CYS 34 6.545 -19.107 -23.222 232 HB2 CYS 34 HB2 CYS 34 5.312 -21.915 -23.510 233 HB3 CYS 34 HB1 CYS 34 4.934 -20.768 -22.178 234 H HIS 35 HN HIS 35 7.964 -22.382 -23.762 235 HA HIS 35 HA HIS 35 8.582 -22.832 -21.043 236 HB2 HIS 35 HB2 HIS 35 8.699 -24.677 -22.723 237 HB3 HIS 35 HB1 HIS 35 10.043 -23.814 -23.554 238 HD2 HIS 35 HD2 HIS 35 12.493 -24.698 -22.769 239 HE1 HIS 35 HE1 HIS 35 11.337 -26.241 -19.004 240 HE2 HIS 35 HE2 HIS 35 13.243 -25.953 -20.663 241 H GLN 36 HN GLN 36 10.269 -21.130 -23.732 242 HA GLN 36 HA GLN 36 12.714 -20.845 -22.405 243 HB2 GLN 36 HB2 GLN 36 11.298 -18.992 -24.381 244 HB3 GLN 36 HB1 GLN 36 12.964 -18.702 -23.787 245 HG2 GLN 36 HG2 GLN 36 12.265 -21.401 -25.034 246 HG3 GLN 36 HG1 GLN 36 12.595 -19.968 -26.086 247 HE21 GLN 36 HE21 GLN 36 13.950 -22.166 -23.620 248 HE22 GLN 36 HE22 GLN 36 15.601 -21.727 -23.854 249 H CYS 37 HN CYS 37 9.661 -18.991 -22.289 250 HA CYS 37 HA CYS 37 10.734 -16.926 -20.693 251 HB2 CYS 37 HB2 CYS 37 7.902 -17.989 -21.055 252 HB3 CYS 37 HB1 CYS 37 8.286 -16.633 -19.953 253 H HIS 38 HN HIS 38 9.335 -20.109 -20.042 254 HA HIS 38 HA HIS 38 9.187 -19.688 -17.244 255 HB2 HIS 38 HB2 HIS 38 7.898 -21.520 -18.423 256 HB3 HIS 38 HB1 HIS 38 9.471 -22.332 -18.761 257 HD2 HIS 38 HD2 HIS 38 10.813 -23.325 -16.407 258 HE1 HIS 38 HE1 HIS 38 7.287 -23.138 -14.073 259 HE2 HIS 38 HE2 HIS 38 9.665 -24.037 -14.223 260 H VAL 39 HN VAL 39 11.570 -20.924 -19.561 261 HA VAL 39 HA VAL 39 13.358 -21.845 -17.579 262 HB VAL 39 HB VAL 39 13.776 -20.897 -20.445 263 HG11 VAL 39 HG11 VAL 39 16.033 -22.153 -20.082 264 HG12 VAL 39 HG12 VAL 39 15.704 -21.978 -18.316 265 HG13 VAL 39 HG13 VAL 39 15.873 -20.512 -19.353 266 HG21 VAL 39 HG21 VAL 39 12.821 -22.925 -20.833 267 HG22 VAL 39 HG22 VAL 39 12.898 -23.385 -19.087 268 HG23 VAL 39 HG23 VAL 39 14.329 -23.649 -20.158 269 H LYS 40 HN LYS 40 12.729 -18.697 -19.210 270 HA LYS 40 HA LYS 40 15.073 -17.466 -18.218 271 HB2 LYS 40 HB2 LYS 40 12.337 -16.343 -19.034 272 HB3 LYS 40 HB1 LYS 40 13.662 -15.288 -18.425 273 HG2 LYS 40 HG2 LYS 40 14.871 -15.431 -20.363 274 HG3 LYS 40 HG1 LYS 40 14.475 -17.167 -20.613 275 HD2 LYS 40 HD2 LYS 40 12.705 -16.696 -21.966 276 HD3 LYS 40 HD1 LYS 40 12.122 -15.365 -20.912 277 HE2 LYS 40 HE2 LYS 40 13.844 -13.826 -21.888 278 HE3 LYS 40 HE1 LYS 40 14.445 -15.171 -22.943 279 HZ1 LYS 40 HZ1 LYS 40 11.706 -14.007 -22.946 280 HZ2 LYS 40 HZ2 LYS 40 12.242 -15.291 -23.918 281 HZ3 LYS 40 HZ3 LYS 40 12.923 -13.746 -24.100 282 H HIS 41 HN HIS 41 11.782 -18.061 -16.988 283 HA HIS 41 HA HIS 41 12.045 -16.458 -14.706 284 HB2 HIS 41 HB2 HIS 41 9.847 -17.333 -15.310 285 HB3 HIS 41 HB1 HIS 41 10.448 -19.012 -15.214 286 HD2 HIS 41 HD2 HIS 41 9.433 -16.051 -12.764 287 HE1 HIS 41 HE1 HIS 41 9.750 -19.654 -10.605 288 HE2 HIS 41 HE2 HIS 41 9.076 -17.209 -10.513 289 H THR 42 HN THR 42 12.856 -19.868 -15.485 290 HA THR 42 HA THR 42 13.552 -20.593 -12.895 291 HB THR 42 HB THR 42 14.651 -21.539 -15.592 292 HG1 THR 42 HG1 THR 42 12.403 -21.866 -15.017 293 HG21 THR 42 HG21 THR 42 15.282 -22.261 -12.725 294 HG22 THR 42 HG22 THR 42 16.329 -22.292 -14.190 295 HG23 THR 42 HG23 THR 42 15.131 -23.607 -13.911 296 H ASP 43 HN ASP 43 15.502 -19.133 -15.603 297 HA ASP 43 HA ASP 43 17.885 -19.127 -14.038 298 HB2 ASP 43 HB2 ASP 43 17.063 -17.508 -16.514 299 HB3 ASP 43 HB1 ASP 43 18.689 -17.379 -15.749 300 H CYS 44 HN CYS 44 15.131 -16.916 -14.486 301 HA CYS 44 HA CYS 44 16.383 -14.652 -13.337 302 HB2 CYS 44 HB2 CYS 44 14.152 -14.642 -14.674 303 HB3 CYS 44 HB1 CYS 44 13.395 -15.340 -13.207 304 H VAL 45 HN VAL 45 14.585 -17.452 -12.152 305 HA VAL 45 HA VAL 45 14.487 -16.422 -9.512 306 HB VAL 45 HB VAL 45 13.807 -18.988 -10.893 307 HG11 VAL 45 HG11 VAL 45 13.485 -20.051 -8.584 308 HG12 VAL 45 HG12 VAL 45 14.427 -18.687 -7.881 309 HG13 VAL 45 HG13 VAL 45 15.213 -19.818 -9.058 310 HG21 VAL 45 HG21 VAL 45 12.448 -17.008 -8.973 311 HG22 VAL 45 HG22 VAL 45 11.706 -18.582 -9.442 312 HG23 VAL 45 HG23 VAL 45 12.054 -17.337 -10.704 313 H ASN 46 HN ASN 46 16.540 -18.607 -11.405 314 HA ASN 46 HA ASN 46 17.990 -19.563 -9.210 315 HB2 ASN 46 HB2 ASN 46 18.558 -19.254 -12.164 316 HB3 ASN 46 HB1 ASN 46 19.854 -19.779 -11.040 317 HD21 ASN 46 HD21 ASN 46 18.283 -21.152 -13.287 318 HD22 ASN 46 HD22 ASN 46 17.724 -22.623 -12.581 319 H THR 47 HN THR 47 18.192 -16.547 -11.089 320 HA THR 47 HA THR 47 20.722 -15.969 -9.763 321 HB THR 47 HB THR 47 19.117 -14.286 -11.739 322 HG1 THR 47 HG1 THR 47 19.945 -16.127 -12.685 323 HG21 THR 47 HG21 THR 47 21.461 -13.134 -11.898 324 HG22 THR 47 HG22 THR 47 21.832 -13.967 -10.341 325 HG23 THR 47 HG23 THR 47 20.465 -12.793 -10.432 326 H GLY 48 HN GLY 48 17.326 -14.760 -9.991 327 HA2 GLY 48 HA2 GLY 48 17.859 -12.642 -8.172 328 HA3 GLY 48 HA1 GLY 48 16.246 -13.285 -8.702 329 H CYS 49 HN CYS 49 16.616 -16.046 -7.830 330 HA CYS 49 HA CYS 49 17.162 -15.777 -4.990 331 HB2 CYS 49 HB2 CYS 49 14.834 -17.122 -4.717 332 HB3 CYS 49 HB1 CYS 49 14.920 -15.343 -4.578 333 HA PRO 50 HA PRO 50 18.588 -19.600 -7.270 334 HB2 PRO 50 HB2 PRO 50 20.660 -19.747 -5.258 335 HB3 PRO 50 HB1 PRO 50 20.847 -19.253 -6.994 336 HG2 PRO 50 HG2 PRO 50 20.545 -17.535 -4.512 337 HG3 PRO 50 HG1 PRO 50 21.381 -17.171 -6.078 338 HD2 PRO 50 HD2 PRO 50 18.987 -16.038 -5.438 339 HD3 PRO 50 HD1 PRO 50 19.390 -16.493 -7.137 Start of MODEL 12 1 H1 SER 1 HT1 SER 1 12.165 -29.516 6.048 2 H2 SER 1 HT2 SER 1 11.340 -30.472 4.912 3 H3 SER 1 HT3 SER 1 11.379 -30.939 6.544 4 HA SER 1 HA SER 1 9.676 -29.077 5.191 5 HB2 SER 1 HB2 SER 1 9.029 -31.224 6.528 6 HB3 SER 1 HB1 SER 1 9.404 -30.259 8.012 7 HG SER 1 HG SER 1 7.601 -29.294 7.781 8 H SER 2 HN SER 2 10.726 -26.985 5.225 9 HA SER 2 HA SER 2 10.377 -25.691 7.762 10 HB2 SER 2 HB2 SER 2 12.670 -24.720 7.893 11 HB3 SER 2 HB1 SER 2 12.789 -26.523 7.953 12 HG SER 2 HG SER 2 12.751 -25.557 5.409 13 H THR 3 HN THR 3 10.606 -23.257 7.469 14 HA THR 3 HA THR 3 9.606 -22.638 4.856 15 HB THR 3 HB THR 3 10.305 -20.776 7.172 16 HG1 THR 3 HG1 THR 3 7.763 -20.890 6.862 17 HG21 THR 3 HG21 THR 3 10.248 -19.696 4.904 18 HG22 THR 3 HG22 THR 3 8.888 -19.142 5.950 19 HG23 THR 3 HG23 THR 3 8.589 -20.352 4.648 20 HA PRO 4 HA PRO 4 13.606 -21.870 3.196 21 HB2 PRO 4 HB2 PRO 4 12.756 -20.307 1.038 22 HB3 PRO 4 HB1 PRO 4 12.742 -22.121 1.061 23 HG2 PRO 4 HG2 PRO 4 10.473 -20.154 1.587 24 HG3 PRO 4 HG1 PRO 4 10.448 -21.734 0.702 25 HD2 PRO 4 HD2 PRO 4 9.513 -21.476 3.270 26 HD3 PRO 4 HD1 PRO 4 10.317 -22.988 2.681 27 H ASP 5 HN ASP 5 11.451 -18.979 2.828 28 HA ASP 5 HA ASP 5 13.093 -17.509 4.585 29 HB2 ASP 5 HB2 ASP 5 14.331 -17.542 2.252 30 HB3 ASP 5 HB1 ASP 5 12.991 -16.466 1.739 31 H GLY 6 HN GLY 6 12.139 -15.153 2.607 32 HA2 GLY 6 HA2 GLY 6 9.336 -15.312 2.739 33 HA3 GLY 6 HA1 GLY 6 10.046 -14.295 4.073 34 H THR 7 HN THR 7 12.430 -13.539 2.449 35 HA THR 7 HA THR 7 11.032 -11.538 0.808 36 HB THR 7 HB THR 7 13.908 -11.674 1.854 37 HG1 THR 7 HG1 THR 7 12.439 -9.456 2.333 38 HG21 THR 7 HG21 THR 7 12.512 -9.804 -0.147 39 HG22 THR 7 HG22 THR 7 14.075 -10.688 -0.332 40 HG23 THR 7 HG23 THR 7 13.961 -9.284 0.796 41 H TRP 8 HN TRP 8 13.349 -14.193 0.856 42 HA TRP 8 HA TRP 8 14.322 -13.872 -1.719 43 HB2 TRP 8 HB2 TRP 8 15.569 -15.528 -0.707 44 HB3 TRP 8 HB1 TRP 8 14.226 -16.010 0.347 45 HD1 TRP 8 HD1 TRP 8 15.929 -16.998 -2.942 46 HE1 TRP 8 HE1 TRP 8 14.814 -19.115 -3.811 47 HE3 TRP 8 HE3 TRP 8 11.981 -17.205 0.241 48 HZ2 TRP 8 HZ2 TRP 8 12.546 -20.660 -3.207 49 HZ3 TRP 8 HZ3 TRP 8 10.371 -19.032 0.034 50 HH2 TRP 8 HH2 TRP 8 10.655 -20.744 -1.682 51 H VAL 9 HN VAL 9 11.340 -15.375 -0.383 52 HA VAL 9 HA VAL 9 10.618 -16.606 -2.833 53 HB VAL 9 HB VAL 9 9.651 -17.263 -0.605 54 HG11 VAL 9 HG11 VAL 9 9.428 -14.614 -0.121 55 HG12 VAL 9 HG12 VAL 9 8.296 -15.797 0.626 56 HG13 VAL 9 HG13 VAL 9 7.793 -14.861 -0.832 57 HG21 VAL 9 HG21 VAL 9 7.675 -16.310 -2.768 58 HG22 VAL 9 HG22 VAL 9 7.367 -17.581 -1.518 59 HG23 VAL 9 HG23 VAL 9 8.612 -17.859 -2.797 60 H LYS 10 HN LYS 10 10.397 -13.323 -1.531 61 HA LYS 10 HA LYS 10 8.247 -12.503 -3.149 62 HB2 LYS 10 HB2 LYS 10 10.659 -10.890 -2.119 63 HB3 LYS 10 HB1 LYS 10 9.232 -10.162 -2.934 64 HG2 LYS 10 HG2 LYS 10 9.069 -11.829 -0.361 65 HG3 LYS 10 HG1 LYS 10 9.205 -10.039 -0.390 66 HD2 LYS 10 HD2 LYS 10 7.085 -9.933 -1.754 67 HD3 LYS 10 HD1 LYS 10 6.941 -11.721 -1.637 68 HE2 LYS 10 HE2 LYS 10 6.788 -11.544 0.867 69 HE3 LYS 10 HE1 LYS 10 6.926 -9.741 0.743 70 HZ1 LYS 10 HZ1 LYS 10 4.646 -11.232 0.644 71 HZ2 LYS 10 HZ2 LYS 10 4.909 -10.810 -0.980 72 HZ3 LYS 10 HZ3 LYS 10 4.815 -9.600 0.209 73 H CYS 11 HN CYS 11 11.626 -13.281 -3.753 74 HA CYS 11 HA CYS 11 11.758 -11.824 -6.194 75 HB2 CYS 11 HB2 CYS 11 13.944 -12.284 -5.429 76 HB3 CYS 11 HB1 CYS 11 13.474 -13.880 -4.802 77 H ARG 12 HN ARG 12 11.054 -15.174 -5.112 78 HA ARG 12 HA ARG 12 10.858 -16.310 -7.605 79 HB2 ARG 12 HB2 ARG 12 9.153 -16.828 -5.121 80 HB3 ARG 12 HB1 ARG 12 9.244 -17.893 -6.537 81 HG2 ARG 12 HG2 ARG 12 11.777 -17.143 -5.089 82 HG3 ARG 12 HG1 ARG 12 10.684 -18.387 -4.397 83 HD2 ARG 12 HD2 ARG 12 10.812 -19.664 -6.592 84 HD3 ARG 12 HD1 ARG 12 12.038 -18.448 -7.161 85 HE ARG 12 HE ARG 12 13.062 -19.247 -4.733 86 HH11 ARG 12 HH11 ARG 12 11.780 -20.960 -7.582 87 HH12 ARG 12 HH12 ARG 12 12.824 -22.332 -7.422 88 HH21 ARG 12 HH21 ARG 12 14.489 -21.125 -4.516 89 HH22 ARG 12 HH22 ARG 12 14.388 -22.426 -5.652 90 H HIS 13 HN HIS 13 8.508 -14.532 -5.577 91 HA HIS 13 HA HIS 13 6.409 -14.856 -7.483 92 HB2 HIS 13 HB2 HIS 13 5.766 -14.346 -5.182 93 HB3 HIS 13 HB1 HIS 13 6.821 -12.888 -5.163 94 HD2 HIS 13 HD2 HIS 13 5.547 -10.562 -5.876 95 HE1 HIS 13 HE1 HIS 13 2.069 -12.360 -7.477 96 HE2 HIS 13 HE2 HIS 13 3.206 -10.174 -6.848 97 H ASP 14 HN ASP 14 8.920 -12.347 -6.832 98 HA ASP 14 HA ASP 14 7.858 -10.392 -8.517 99 HB2 ASP 14 HB2 ASP 14 9.937 -10.192 -6.941 100 HB3 ASP 14 HB1 ASP 14 10.863 -10.934 -8.284 101 H CYS 15 HN CYS 15 10.287 -13.026 -9.255 102 HA CYS 15 HA CYS 15 10.306 -12.275 -12.012 103 HB2 CYS 15 HB2 CYS 15 11.136 -14.911 -10.645 104 HB3 CYS 15 HB1 CYS 15 11.391 -14.554 -12.382 105 H PHE 16 HN PHE 16 8.288 -14.277 -9.933 106 HA PHE 16 HA PHE 16 7.251 -15.901 -11.965 107 HB2 PHE 16 HB2 PHE 16 6.821 -16.314 -9.538 108 HB3 PHE 16 HB1 PHE 16 5.799 -14.840 -9.497 109 HD1 PHE 16 HD1 PHE 16 6.180 -17.933 -11.562 110 HD2 PHE 16 HD2 PHE 16 3.597 -15.172 -9.619 111 HE1 PHE 16 HE1 PHE 16 4.237 -19.267 -12.227 112 HE2 PHE 16 HE2 PHE 16 1.661 -16.515 -10.294 113 HZ PHE 16 HZ PHE 16 1.983 -18.564 -11.596 114 H THR 17 HN THR 17 6.220 -12.695 -10.624 115 HA THR 17 HA THR 17 3.969 -12.529 -12.318 116 HB THR 17 HB THR 17 4.084 -10.070 -11.942 117 HG1 THR 17 HG1 THR 17 6.601 -10.823 -10.929 118 HG21 THR 17 HG21 THR 17 4.779 -11.033 -9.223 119 HG22 THR 17 HG22 THR 17 3.627 -12.120 -10.088 120 HG23 THR 17 HG23 THR 17 3.223 -10.377 -9.853 121 H LYS 18 HN LYS 18 7.444 -11.658 -12.708 122 HA LYS 18 HA LYS 18 7.082 -10.367 -15.173 123 HB2 LYS 18 HB2 LYS 18 9.450 -11.802 -13.902 124 HB3 LYS 18 HB1 LYS 18 9.543 -11.226 -15.601 125 HG2 LYS 18 HG2 LYS 18 10.399 -9.702 -13.596 126 HG3 LYS 18 HG1 LYS 18 9.556 -8.982 -15.009 127 HD2 LYS 18 HD2 LYS 18 7.551 -8.640 -13.803 128 HD3 LYS 18 HD1 LYS 18 7.966 -9.864 -12.563 129 HE2 LYS 18 HE2 LYS 18 9.726 -8.378 -11.642 130 HE3 LYS 18 HE1 LYS 18 9.373 -7.149 -12.922 131 HZ1 LYS 18 HZ1 LYS 18 8.223 -7.310 -10.479 132 HZ2 LYS 18 HZ2 LYS 18 7.042 -8.011 -11.484 133 HZ3 LYS 18 HZ3 LYS 18 7.623 -6.449 -11.815 134 H TYR 19 HN TYR 19 7.263 -13.745 -14.129 135 HA TYR 19 HA TYR 19 7.686 -14.731 -16.766 136 HB2 TYR 19 HB2 TYR 19 8.313 -16.299 -15.126 137 HB3 TYR 19 HB1 TYR 19 6.899 -15.936 -14.096 138 HD1 TYR 19 HD1 TYR 19 7.887 -17.456 -17.338 139 HD2 TYR 19 HD2 TYR 19 5.063 -17.248 -14.178 140 HE1 TYR 19 HE1 TYR 19 6.717 -19.394 -18.264 141 HE2 TYR 19 HE2 TYR 19 3.902 -19.182 -15.108 142 HH TYR 19 HH TYR 19 3.633 -20.446 -17.037 143 H LYS 20 HN LYS 20 4.866 -14.405 -14.522 144 HA LYS 20 HA LYS 20 3.000 -15.508 -16.250 145 HB2 LYS 20 HB2 LYS 20 2.575 -13.109 -14.380 146 HB3 LYS 20 HB1 LYS 20 1.297 -14.174 -15.042 147 HG2 LYS 20 HG2 LYS 20 3.450 -15.630 -13.613 148 HG3 LYS 20 HG1 LYS 20 2.541 -14.476 -12.586 149 HD2 LYS 20 HD2 LYS 20 1.281 -16.438 -12.359 150 HD3 LYS 20 HD1 LYS 20 0.396 -15.580 -13.646 151 HE2 LYS 20 HE2 LYS 20 2.583 -17.383 -14.646 152 HE3 LYS 20 HE1 LYS 20 1.218 -18.229 -13.806 153 HZ1 LYS 20 HZ1 LYS 20 0.677 -16.152 -15.830 154 HZ2 LYS 20 HZ2 LYS 20 -0.278 -17.464 -15.333 155 HZ3 LYS 20 HZ3 LYS 20 1.093 -17.731 -16.309 156 H SER 21 HN SER 21 4.472 -12.263 -16.013 157 HA SER 21 HA SER 21 2.713 -11.064 -17.884 158 HB2 SER 21 HB2 SER 21 4.285 -9.698 -16.423 159 HB3 SER 21 HB1 SER 21 5.675 -10.373 -17.363 160 HG SER 21 HG SER 21 4.272 -9.535 -19.225 161 H CYS 22 HN CYS 22 5.682 -13.056 -18.138 162 HA CYS 22 HA CYS 22 6.090 -12.535 -20.886 163 HB2 CYS 22 HB2 CYS 22 7.735 -13.670 -19.187 164 HB3 CYS 22 HB1 CYS 22 6.773 -15.153 -19.486 165 H GLN 23 HN GLN 23 4.139 -14.906 -19.024 166 HA GLN 23 HA GLN 23 3.463 -16.420 -21.330 167 HB2 GLN 23 HB2 GLN 23 2.406 -16.231 -18.485 168 HB3 GLN 23 HB1 GLN 23 1.342 -16.971 -19.735 169 HG2 GLN 23 HG2 GLN 23 3.381 -18.503 -20.339 170 HG3 GLN 23 HG1 GLN 23 4.094 -17.935 -18.775 171 HE21 GLN 23 HE21 GLN 23 2.120 -20.295 -20.185 172 HE22 GLN 23 HE22 GLN 23 1.263 -20.827 -18.778 173 H MET 24 HN MET 24 2.431 -13.344 -19.963 174 HA MET 24 HA MET 24 -0.081 -13.446 -21.391 175 HB2 MET 24 HB2 MET 24 1.328 -11.201 -19.866 176 HB3 MET 24 HB1 MET 24 -0.265 -11.034 -20.665 177 HG2 MET 24 HG2 MET 24 0.323 -13.128 -18.532 178 HG3 MET 24 HG1 MET 24 -0.289 -11.499 -18.162 179 HE1 MET 24 HE1 MET 24 -2.485 -15.244 -19.300 180 HE2 MET 24 HE2 MET 24 -1.064 -14.893 -18.257 181 HE3 MET 24 HE3 MET 24 -0.888 -14.888 -20.045 182 H SER 25 HN SER 25 3.231 -12.724 -21.934 183 HA SER 25 HA SER 25 2.806 -10.677 -23.851 184 HB2 SER 25 HB2 SER 25 5.167 -12.631 -23.560 185 HB3 SER 25 HB1 SER 25 5.149 -11.177 -24.640 186 HG SER 25 HG SER 25 4.535 -10.943 -21.898 187 H ASP 26 HN ASP 26 3.310 -10.982 -26.234 188 HA ASP 26 HA ASP 26 1.825 -13.302 -27.110 189 HB2 ASP 26 HB2 ASP 26 2.988 -10.883 -28.579 190 HB3 ASP 26 HB1 ASP 26 2.182 -12.252 -29.423 191 H SER 27 HN SER 27 4.768 -13.078 -25.974 192 HA SER 27 HA SER 27 6.257 -13.975 -28.259 193 HB2 SER 27 HB2 SER 27 6.986 -13.990 -25.262 194 HB3 SER 27 HB1 SER 27 8.120 -14.414 -26.608 195 HG SER 27 HG SER 27 8.511 -12.363 -26.374 196 H CYS 28 HN CYS 28 3.938 -15.235 -26.153 197 HA CYS 28 HA CYS 28 5.137 -17.867 -26.116 198 HB2 CYS 28 HB2 CYS 28 3.734 -17.020 -24.162 199 HB3 CYS 28 HB1 CYS 28 2.333 -16.973 -25.282 200 H HIS 29 HN HIS 29 5.318 -18.031 -28.506 201 HA HIS 29 HA HIS 29 2.782 -18.039 -29.903 202 HB2 HIS 29 HB2 HIS 29 5.457 -19.014 -31.025 203 HB3 HIS 29 HB1 HIS 29 4.033 -18.387 -31.941 204 HD2 HIS 29 HD2 HIS 29 7.079 -17.008 -29.788 205 HE1 HIS 29 HE1 HIS 29 5.266 -13.839 -31.923 206 HE2 HIS 29 HE2 HIS 29 7.217 -14.534 -30.447 207 H ASP 30 HN ASP 30 5.126 -20.254 -28.392 208 HA ASP 30 HA ASP 30 3.240 -22.380 -29.007 209 HB2 ASP 30 HB2 ASP 30 5.600 -22.277 -30.457 210 HB3 ASP 30 HB1 ASP 30 6.144 -23.170 -28.991 211 H GLU 31 HN GLU 31 4.084 -24.434 -27.606 212 HA GLU 31 HA GLU 31 3.970 -23.518 -24.946 213 HB2 GLU 31 HB2 GLU 31 4.741 -26.260 -26.103 214 HB3 GLU 31 HB1 GLU 31 4.571 -25.935 -24.340 215 HG2 GLU 31 HG2 GLU 31 2.163 -25.361 -24.620 216 HG3 GLU 31 HG1 GLU 31 2.308 -25.576 -26.412 217 H GLN 32 HN GLN 32 6.610 -24.578 -27.151 218 HA GLN 32 HA GLN 32 8.593 -24.685 -25.168 219 HB2 GLN 32 HB2 GLN 32 8.864 -25.560 -27.531 220 HB3 GLN 32 HB1 GLN 32 8.908 -23.863 -28.096 221 HG2 GLN 32 HG2 GLN 32 10.962 -23.417 -26.789 222 HG3 GLN 32 HG1 GLN 32 10.902 -25.089 -26.099 223 HE21 GLN 32 HE21 GLN 32 13.198 -24.623 -27.357 224 HE22 GLN 32 HE22 GLN 32 13.257 -25.328 -28.936 225 H SER 33 HN SER 33 7.281 -22.052 -27.241 226 HA SER 33 HA SER 33 9.190 -20.151 -26.477 227 HB2 SER 33 HB2 SER 33 6.233 -19.708 -27.212 228 HB3 SER 33 HB1 SER 33 7.489 -18.412 -27.119 229 HG SER 33 HG SER 33 8.523 -19.285 -28.813 230 H CYS 34 HN CYS 34 6.034 -21.214 -25.041 231 HA CYS 34 HA CYS 34 6.135 -19.226 -23.004 232 HB2 CYS 34 HB2 CYS 34 4.438 -21.603 -23.640 233 HB3 CYS 34 HB1 CYS 34 4.708 -21.374 -21.878 234 H HIS 35 HN HIS 35 7.525 -22.472 -23.508 235 HA HIS 35 HA HIS 35 8.147 -22.922 -20.789 236 HB2 HIS 35 HB2 HIS 35 8.301 -24.781 -22.438 237 HB3 HIS 35 HB1 HIS 35 9.586 -23.884 -23.322 238 HD2 HIS 35 HD2 HIS 35 12.081 -24.691 -22.618 239 HE1 HIS 35 HE1 HIS 35 11.116 -26.189 -18.783 240 HE2 HIS 35 HE2 HIS 35 12.948 -25.880 -20.519 241 H GLN 36 HN GLN 36 9.725 -21.167 -23.496 242 HA GLN 36 HA GLN 36 12.186 -20.792 -22.218 243 HB2 GLN 36 HB2 GLN 36 10.663 -18.993 -24.162 244 HB3 GLN 36 HB1 GLN 36 12.334 -18.660 -23.615 245 HG2 GLN 36 HG2 GLN 36 11.644 -21.366 -24.864 246 HG3 GLN 36 HG1 GLN 36 11.971 -19.918 -25.899 247 HE21 GLN 36 HE21 GLN 36 13.341 -22.225 -23.576 248 HE22 GLN 36 HE22 GLN 36 14.988 -21.756 -23.771 249 H CYS 37 HN CYS 37 9.040 -19.125 -22.009 250 HA CYS 37 HA CYS 37 9.980 -16.940 -20.514 251 HB2 CYS 37 HB2 CYS 37 7.267 -18.347 -20.513 252 HB3 CYS 37 HB1 CYS 37 7.603 -16.854 -19.599 253 H HIS 38 HN HIS 38 8.921 -20.222 -19.696 254 HA HIS 38 HA HIS 38 8.986 -19.753 -16.902 255 HB2 HIS 38 HB2 HIS 38 7.693 -21.657 -17.966 256 HB3 HIS 38 HB1 HIS 38 9.275 -22.411 -18.386 257 HD2 HIS 38 HD2 HIS 38 10.799 -23.299 -16.114 258 HE1 HIS 38 HE1 HIS 38 7.437 -23.158 -13.546 259 HE2 HIS 38 HE2 HIS 38 9.828 -23.986 -13.837 260 H VAL 39 HN VAL 39 11.223 -20.944 -19.388 261 HA VAL 39 HA VAL 39 13.192 -21.767 -17.549 262 HB VAL 39 HB VAL 39 13.365 -20.807 -20.434 263 HG11 VAL 39 HG11 VAL 39 15.479 -21.816 -18.450 264 HG12 VAL 39 HG12 VAL 39 15.523 -20.346 -19.496 265 HG13 VAL 39 HG13 VAL 39 15.687 -21.986 -20.233 266 HG21 VAL 39 HG21 VAL 39 12.694 -23.329 -19.012 267 HG22 VAL 39 HG22 VAL 39 14.031 -23.534 -20.211 268 HG23 VAL 39 HG23 VAL 39 12.441 -22.866 -20.740 269 H LYS 40 HN LYS 40 12.351 -18.644 -19.146 270 HA LYS 40 HA LYS 40 14.712 -17.335 -18.280 271 HB2 LYS 40 HB2 LYS 40 11.903 -16.263 -18.913 272 HB3 LYS 40 HB1 LYS 40 13.279 -15.196 -18.460 273 HG2 LYS 40 HG2 LYS 40 14.337 -15.437 -20.485 274 HG3 LYS 40 HG1 LYS 40 13.836 -17.153 -20.674 275 HD2 LYS 40 HD2 LYS 40 12.294 -16.457 -22.164 276 HD3 LYS 40 HD1 LYS 40 11.413 -15.682 -20.806 277 HE2 LYS 40 HE2 LYS 40 12.629 -13.550 -21.181 278 HE3 LYS 40 HE1 LYS 40 13.623 -14.322 -22.486 279 HZ1 LYS 40 HZ1 LYS 40 10.697 -14.454 -22.678 280 HZ2 LYS 40 HZ2 LYS 40 11.880 -14.351 -23.893 281 HZ3 LYS 40 HZ3 LYS 40 11.465 -12.972 -22.994 282 H HIS 41 HN HIS 41 11.506 -18.022 -16.889 283 HA HIS 41 HA HIS 41 11.820 -16.395 -14.631 284 HB2 HIS 41 HB2 HIS 41 9.628 -17.359 -15.146 285 HB3 HIS 41 HB1 HIS 41 10.294 -19.012 -15.035 286 HD2 HIS 41 HD2 HIS 41 9.259 -16.032 -12.613 287 HE1 HIS 41 HE1 HIS 41 9.791 -19.570 -10.389 288 HE2 HIS 41 HE2 HIS 41 9.028 -17.149 -10.326 289 H THR 42 HN THR 42 12.724 -19.776 -15.435 290 HA THR 42 HA THR 42 13.557 -20.462 -12.874 291 HB THR 42 HB THR 42 14.564 -21.381 -15.615 292 HG1 THR 42 HG1 THR 42 12.361 -21.791 -14.916 293 HG21 THR 42 HG21 THR 42 15.221 -23.415 -13.966 294 HG22 THR 42 HG22 THR 42 15.353 -22.070 -12.775 295 HG23 THR 42 HG23 THR 42 16.339 -22.041 -14.283 296 H ASP 43 HN ASP 43 15.322 -18.934 -15.666 297 HA ASP 43 HA ASP 43 17.775 -18.840 -14.221 298 HB2 ASP 43 HB2 ASP 43 16.771 -17.246 -16.646 299 HB3 ASP 43 HB1 ASP 43 18.426 -17.054 -15.959 300 H CYS 44 HN CYS 44 14.927 -16.724 -14.530 301 HA CYS 44 HA CYS 44 16.156 -14.427 -13.420 302 HB2 CYS 44 HB2 CYS 44 13.882 -14.461 -14.665 303 HB3 CYS 44 HB1 CYS 44 13.199 -15.216 -13.190 304 H VAL 45 HN VAL 45 14.474 -17.280 -12.183 305 HA VAL 45 HA VAL 45 14.446 -16.273 -9.536 306 HB VAL 45 HB VAL 45 13.825 -18.866 -10.902 307 HG11 VAL 45 HG11 VAL 45 14.519 -18.532 -7.908 308 HG12 VAL 45 HG12 VAL 45 15.320 -19.629 -9.106 309 HG13 VAL 45 HG13 VAL 45 13.618 -19.938 -8.584 310 HG21 VAL 45 HG21 VAL 45 12.019 -17.266 -10.655 311 HG22 VAL 45 HG22 VAL 45 12.441 -16.950 -8.926 312 HG23 VAL 45 HG23 VAL 45 11.747 -18.543 -9.408 313 H ASN 46 HN ASN 46 16.513 -18.370 -11.508 314 HA ASN 46 HA ASN 46 18.071 -19.268 -9.364 315 HB2 ASN 46 HB2 ASN 46 18.527 -18.943 -12.336 316 HB3 ASN 46 HB1 ASN 46 19.875 -19.427 -11.254 317 HD21 ASN 46 HD21 ASN 46 18.281 -20.855 -13.448 318 HD22 ASN 46 HD22 ASN 46 17.790 -22.340 -12.724 319 H THR 47 HN THR 47 18.059 -16.244 -11.223 320 HA THR 47 HA THR 47 20.628 -15.562 -10.047 321 HB THR 47 HB THR 47 18.810 -13.921 -11.870 322 HG1 THR 47 HG1 THR 47 19.659 -15.709 -12.905 323 HG21 THR 47 HG21 THR 47 20.170 -12.378 -10.648 324 HG22 THR 47 HG22 THR 47 21.101 -12.669 -12.166 325 HG23 THR 47 HG23 THR 47 21.588 -13.492 -10.637 326 H GLY 48 HN GLY 48 17.175 -14.475 -10.044 327 HA2 GLY 48 HA2 GLY 48 17.755 -12.405 -8.169 328 HA3 GLY 48 HA1 GLY 48 16.131 -13.046 -8.669 329 H CYS 49 HN CYS 49 16.577 -15.840 -7.909 330 HA CYS 49 HA CYS 49 17.177 -15.648 -5.070 331 HB2 CYS 49 HB2 CYS 49 14.907 -17.084 -4.799 332 HB3 CYS 49 HB1 CYS 49 14.927 -15.308 -4.616 333 HA PRO 50 HA PRO 50 18.669 -19.370 -7.464 334 HB2 PRO 50 HB2 PRO 50 20.862 -19.481 -5.608 335 HB3 PRO 50 HB1 PRO 50 20.916 -18.876 -7.319 336 HG2 PRO 50 HG2 PRO 50 20.645 -17.326 -4.719 337 HG3 PRO 50 HG1 PRO 50 21.429 -16.842 -6.280 338 HD2 PRO 50 HD2 PRO 50 19.014 -15.835 -5.534 339 HD3 PRO 50 HD1 PRO 50 19.383 -16.201 -7.262 Start of MODEL 13 1 H1 SER 1 HT1 SER 1 10.214 -30.100 4.997 2 H2 SER 1 HT2 SER 1 10.907 -30.641 6.451 3 H3 SER 1 HT3 SER 1 11.424 -29.179 5.756 4 HA SER 1 HA SER 1 8.794 -28.770 5.997 5 HB2 SER 1 HB2 SER 1 8.726 -30.967 7.374 6 HB3 SER 1 HB1 SER 1 9.723 -30.097 8.608 7 HG SER 1 HG SER 1 8.097 -28.731 8.974 8 H SER 2 HN SER 2 10.433 -26.897 5.516 9 HA SER 2 HA SER 2 10.640 -25.438 7.989 10 HB2 SER 2 HB2 SER 2 12.915 -26.580 7.874 11 HB3 SER 2 HB1 SER 2 13.134 -25.868 6.224 12 HG SER 2 HG SER 2 13.317 -23.923 7.066 13 H THR 3 HN THR 3 10.622 -23.141 7.583 14 HA THR 3 HA THR 3 9.654 -22.558 4.957 15 HB THR 3 HB THR 3 10.349 -20.648 7.236 16 HG1 THR 3 HG1 THR 3 7.806 -20.797 6.961 17 HG21 THR 3 HG21 THR 3 8.602 -20.302 4.722 18 HG22 THR 3 HG22 THR 3 10.253 -19.615 4.948 19 HG23 THR 3 HG23 THR 3 8.894 -19.061 5.994 20 HA PRO 4 HA PRO 4 13.653 -21.803 3.294 21 HB2 PRO 4 HB2 PRO 4 12.808 -20.277 1.109 22 HB3 PRO 4 HB1 PRO 4 12.794 -22.090 1.162 23 HG2 PRO 4 HG2 PRO 4 10.524 -20.116 1.652 24 HG3 PRO 4 HG1 PRO 4 10.502 -21.709 0.790 25 HD2 PRO 4 HD2 PRO 4 9.560 -21.413 3.351 26 HD3 PRO 4 HD1 PRO 4 10.366 -22.933 2.787 27 H ASP 5 HN ASP 5 11.499 -18.922 2.859 28 HA ASP 5 HA ASP 5 13.134 -17.419 4.600 29 HB2 ASP 5 HB2 ASP 5 14.364 -17.485 2.263 30 HB3 ASP 5 HB1 ASP 5 13.021 -16.420 1.739 31 H GLY 6 HN GLY 6 12.164 -15.100 2.586 32 HA2 GLY 6 HA2 GLY 6 9.364 -15.270 2.725 33 HA3 GLY 6 HA1 GLY 6 10.069 -14.230 4.042 34 H THR 7 HN THR 7 12.449 -13.485 2.405 35 HA THR 7 HA THR 7 11.039 -11.520 0.734 36 HB THR 7 HB THR 7 13.918 -11.617 1.774 37 HG1 THR 7 HG1 THR 7 12.934 -9.456 2.505 38 HG21 THR 7 HG21 THR 7 14.091 -10.638 -0.400 39 HG22 THR 7 HG22 THR 7 13.903 -9.218 0.699 40 HG23 THR 7 HG23 THR 7 12.493 -9.812 -0.258 41 H TRP 8 HN TRP 8 13.375 -14.156 0.826 42 HA TRP 8 HA TRP 8 14.348 -13.868 -1.753 43 HB2 TRP 8 HB2 TRP 8 15.600 -15.508 -0.720 44 HB3 TRP 8 HB1 TRP 8 14.258 -15.980 0.341 45 HD1 TRP 8 HD1 TRP 8 15.961 -17.006 -2.939 46 HE1 TRP 8 HE1 TRP 8 14.852 -19.141 -3.775 47 HE3 TRP 8 HE3 TRP 8 12.022 -17.187 0.258 48 HZ2 TRP 8 HZ2 TRP 8 12.595 -20.686 -3.144 49 HZ3 TRP 8 HZ3 TRP 8 10.421 -19.024 0.081 50 HH2 TRP 8 HH2 TRP 8 10.709 -20.760 -1.612 51 H VAL 9 HN VAL 9 11.370 -15.360 -0.400 52 HA VAL 9 HA VAL 9 10.651 -16.616 -2.840 53 HB VAL 9 HB VAL 9 9.696 -17.264 -0.603 54 HG11 VAL 9 HG11 VAL 9 7.816 -14.882 -0.846 55 HG12 VAL 9 HG12 VAL 9 9.451 -14.610 -0.143 56 HG13 VAL 9 HG13 VAL 9 8.332 -15.798 0.617 57 HG21 VAL 9 HG21 VAL 9 8.661 -17.892 -2.785 58 HG22 VAL 9 HG22 VAL 9 7.713 -16.345 -2.774 59 HG23 VAL 9 HG23 VAL 9 7.415 -17.604 -1.512 60 H LYS 10 HN LYS 10 10.418 -13.327 -1.554 61 HA LYS 10 HA LYS 10 8.253 -12.523 -3.161 62 HB2 LYS 10 HB2 LYS 10 10.667 -10.914 -2.129 63 HB3 LYS 10 HB1 LYS 10 9.276 -10.176 -2.994 64 HG2 LYS 10 HG2 LYS 10 7.725 -10.982 -1.218 65 HG3 LYS 10 HG1 LYS 10 9.104 -11.734 -0.350 66 HD2 LYS 10 HD2 LYS 10 10.169 -9.483 -0.088 67 HD3 LYS 10 HD1 LYS 10 8.792 -8.729 -0.962 68 HE2 LYS 10 HE2 LYS 10 7.221 -9.493 0.840 69 HE3 LYS 10 HE1 LYS 10 8.604 -10.269 1.718 70 HZ1 LYS 10 HZ1 LYS 10 9.536 -8.224 2.163 71 HZ2 LYS 10 HZ2 LYS 10 7.875 -7.945 2.378 72 HZ3 LYS 10 HZ3 LYS 10 8.651 -7.407 0.967 73 H CYS 11 HN CYS 11 11.628 -13.299 -3.789 74 HA CYS 11 HA CYS 11 11.735 -11.862 -6.243 75 HB2 CYS 11 HB2 CYS 11 13.931 -12.311 -5.507 76 HB3 CYS 11 HB1 CYS 11 13.469 -13.894 -4.840 77 H ARG 12 HN ARG 12 11.045 -15.202 -5.125 78 HA ARG 12 HA ARG 12 10.835 -16.364 -7.606 79 HB2 ARG 12 HB2 ARG 12 9.135 -16.861 -5.111 80 HB3 ARG 12 HB1 ARG 12 9.234 -17.943 -6.514 81 HG2 ARG 12 HG2 ARG 12 11.762 -17.162 -5.072 82 HG3 ARG 12 HG1 ARG 12 10.676 -18.403 -4.367 83 HD2 ARG 12 HD2 ARG 12 10.817 -19.711 -6.542 84 HD3 ARG 12 HD1 ARG 12 12.030 -18.492 -7.130 85 HE ARG 12 HE ARG 12 13.070 -19.243 -4.696 86 HH11 ARG 12 HH11 ARG 12 11.784 -21.020 -7.503 87 HH12 ARG 12 HH12 ARG 12 12.834 -22.384 -7.319 88 HH21 ARG 12 HH21 ARG 12 14.505 -21.111 -4.445 89 HH22 ARG 12 HH22 ARG 12 14.405 -22.436 -5.553 90 H HIS 13 HN HIS 13 8.495 -14.567 -5.585 91 HA HIS 13 HA HIS 13 6.392 -14.907 -7.486 92 HB2 HIS 13 HB2 HIS 13 5.743 -14.393 -5.190 93 HB3 HIS 13 HB1 HIS 13 6.801 -12.939 -5.169 94 HD2 HIS 13 HD2 HIS 13 5.535 -10.608 -5.881 95 HE1 HIS 13 HE1 HIS 13 2.055 -12.399 -7.485 96 HE2 HIS 13 HE2 HIS 13 3.196 -10.214 -6.854 97 H ASP 14 HN ASP 14 8.902 -12.398 -6.845 98 HA ASP 14 HA ASP 14 7.839 -10.445 -8.530 99 HB2 ASP 14 HB2 ASP 14 9.899 -10.208 -6.961 100 HB3 ASP 14 HB1 ASP 14 10.840 -11.008 -8.260 101 H CYS 15 HN CYS 15 10.270 -13.078 -9.265 102 HA CYS 15 HA CYS 15 10.292 -12.332 -12.023 103 HB2 CYS 15 HB2 CYS 15 11.121 -14.964 -10.645 104 HB3 CYS 15 HB1 CYS 15 11.367 -14.621 -12.386 105 H PHE 16 HN PHE 16 8.277 -14.340 -9.944 106 HA PHE 16 HA PHE 16 7.238 -15.953 -11.982 107 HB2 PHE 16 HB2 PHE 16 6.804 -16.381 -9.561 108 HB3 PHE 16 HB1 PHE 16 5.793 -14.899 -9.506 109 HD1 PHE 16 HD1 PHE 16 6.142 -17.960 -11.628 110 HD2 PHE 16 HD2 PHE 16 3.590 -15.233 -9.594 111 HE1 PHE 16 HE1 PHE 16 4.187 -19.274 -12.298 112 HE2 PHE 16 HE2 PHE 16 1.643 -16.559 -10.275 113 HZ PHE 16 HZ PHE 16 1.944 -18.579 -11.624 114 H THR 17 HN THR 17 6.208 -12.754 -10.628 115 HA THR 17 HA THR 17 3.963 -12.579 -12.329 116 HB THR 17 HB THR 17 4.073 -10.122 -11.935 117 HG1 THR 17 HG1 THR 17 6.590 -10.888 -10.947 118 HG21 THR 17 HG21 THR 17 3.593 -12.186 -10.108 119 HG22 THR 17 HG22 THR 17 3.195 -10.444 -9.854 120 HG23 THR 17 HG23 THR 17 4.742 -11.118 -9.219 121 H LYS 18 HN LYS 18 7.438 -11.713 -12.701 122 HA LYS 18 HA LYS 18 7.079 -10.393 -15.152 123 HB2 LYS 18 HB2 LYS 18 9.446 -11.812 -13.867 124 HB3 LYS 18 HB1 LYS 18 9.549 -11.260 -15.574 125 HG2 LYS 18 HG2 LYS 18 10.386 -9.704 -13.587 126 HG3 LYS 18 HG1 LYS 18 9.547 -9.007 -15.013 127 HD2 LYS 18 HD2 LYS 18 7.528 -8.672 -13.824 128 HD3 LYS 18 HD1 LYS 18 7.957 -9.864 -12.557 129 HE2 LYS 18 HE2 LYS 18 8.113 -7.541 -11.683 130 HE3 LYS 18 HE1 LYS 18 9.750 -8.312 -11.717 131 HZ1 LYS 18 HZ1 LYS 18 8.961 -5.946 -12.886 132 HZ2 LYS 18 HZ2 LYS 18 9.182 -7.025 -14.177 133 HZ3 LYS 18 HZ3 LYS 18 10.441 -6.756 -13.070 134 H TYR 19 HN TYR 19 7.268 -13.777 -14.137 135 HA TYR 19 HA TYR 19 7.697 -14.736 -16.783 136 HB2 TYR 19 HB2 TYR 19 8.322 -16.324 -15.164 137 HB3 TYR 19 HB1 TYR 19 6.911 -15.969 -14.126 138 HD1 TYR 19 HD1 TYR 19 7.896 -17.473 -17.377 139 HD2 TYR 19 HD2 TYR 19 5.060 -17.265 -14.227 140 HE1 TYR 19 HE1 TYR 19 6.720 -19.398 -18.322 141 HE2 TYR 19 HE2 TYR 19 3.890 -19.187 -15.174 142 HH TYR 19 HH TYR 19 4.862 -21.310 -16.886 143 H LYS 20 HN LYS 20 4.880 -14.413 -14.541 144 HA LYS 20 HA LYS 20 3.010 -15.499 -16.275 145 HB2 LYS 20 HB2 LYS 20 2.595 -13.104 -14.398 146 HB3 LYS 20 HB1 LYS 20 1.313 -14.165 -15.063 147 HG2 LYS 20 HG2 LYS 20 3.449 -15.650 -13.651 148 HG3 LYS 20 HG1 LYS 20 2.584 -14.473 -12.610 149 HD2 LYS 20 HD2 LYS 20 1.311 -16.439 -12.375 150 HD3 LYS 20 HD1 LYS 20 0.394 -15.516 -13.591 151 HE2 LYS 20 HE2 LYS 20 2.488 -17.351 -14.735 152 HE3 LYS 20 HE1 LYS 20 1.120 -18.176 -13.878 153 HZ1 LYS 20 HZ1 LYS 20 0.814 -16.107 -15.995 154 HZ2 LYS 20 HZ2 LYS 20 -0.419 -17.008 -15.253 155 HZ3 LYS 20 HZ3 LYS 20 0.724 -17.784 -16.239 156 H SER 21 HN SER 21 4.512 -12.270 -16.028 157 HA SER 21 HA SER 21 2.766 -11.040 -17.886 158 HB2 SER 21 HB2 SER 21 4.371 -9.700 -16.437 159 HB3 SER 21 HB1 SER 21 5.743 -10.402 -17.385 160 HG SER 21 HG SER 21 4.273 -9.537 -19.224 161 H CYS 22 HN CYS 22 5.728 -13.051 -18.165 162 HA CYS 22 HA CYS 22 6.077 -12.559 -20.929 163 HB2 CYS 22 HB2 CYS 22 7.759 -13.670 -19.236 164 HB3 CYS 22 HB1 CYS 22 6.808 -15.161 -19.528 165 H GLN 23 HN GLN 23 4.169 -14.877 -18.983 166 HA GLN 23 HA GLN 23 3.455 -16.468 -21.215 167 HB2 GLN 23 HB2 GLN 23 2.085 -16.052 -18.492 168 HB3 GLN 23 HB1 GLN 23 1.497 -17.220 -19.727 169 HG2 GLN 23 HG2 GLN 23 4.331 -17.288 -18.490 170 HG3 GLN 23 HG1 GLN 23 2.931 -18.293 -17.931 171 HE21 GLN 23 HE21 GLN 23 1.795 -19.626 -19.655 172 HE22 GLN 23 HE22 GLN 23 2.766 -20.339 -20.896 173 H MET 24 HN MET 24 2.425 -13.341 -19.926 174 HA MET 24 HA MET 24 -0.071 -13.467 -21.380 175 HB2 MET 24 HB2 MET 24 1.322 -11.185 -19.896 176 HB3 MET 24 HB1 MET 24 -0.272 -11.049 -20.700 177 HG2 MET 24 HG2 MET 24 0.340 -13.078 -18.513 178 HG3 MET 24 HG1 MET 24 -0.309 -11.452 -18.194 179 HE1 MET 24 HE1 MET 24 -1.081 -14.960 -20.156 180 HE2 MET 24 HE2 MET 24 -2.401 -15.261 -18.974 181 HE3 MET 24 HE3 MET 24 -0.760 -14.820 -18.392 182 H SER 25 HN SER 25 3.250 -12.744 -21.904 183 HA SER 25 HA SER 25 2.875 -10.719 -23.836 184 HB2 SER 25 HB2 SER 25 5.165 -12.760 -23.565 185 HB3 SER 25 HB1 SER 25 5.190 -11.317 -24.659 186 HG SER 25 HG SER 25 4.599 -11.003 -21.927 187 H ASP 26 HN ASP 26 3.315 -11.025 -26.226 188 HA ASP 26 HA ASP 26 1.657 -13.192 -27.112 189 HB2 ASP 26 HB2 ASP 26 3.289 -11.146 -28.708 190 HB3 ASP 26 HB1 ASP 26 2.080 -12.285 -29.404 191 H SER 27 HN SER 27 4.757 -13.091 -26.013 192 HA SER 27 HA SER 27 5.981 -14.515 -28.188 193 HB2 SER 27 HB2 SER 27 6.920 -14.106 -25.278 194 HB3 SER 27 HB1 SER 27 7.906 -14.876 -26.586 195 HG SER 27 HG SER 27 8.309 -13.006 -27.370 196 H CYS 28 HN CYS 28 3.759 -15.143 -25.687 197 HA CYS 28 HA CYS 28 4.663 -17.881 -25.371 198 HB2 CYS 28 HB2 CYS 28 3.686 -16.485 -23.414 199 HB3 CYS 28 HB1 CYS 28 2.120 -16.562 -24.284 200 H HIS 29 HN HIS 29 4.389 -18.051 -27.855 201 HA HIS 29 HA HIS 29 1.553 -18.576 -28.405 202 HB2 HIS 29 HB2 HIS 29 2.186 -18.402 -30.853 203 HB3 HIS 29 HB1 HIS 29 2.404 -16.854 -29.968 204 HD2 HIS 29 HD2 HIS 29 5.137 -16.071 -29.567 205 HE1 HIS 29 HE1 HIS 29 6.667 -18.988 -32.210 206 HE2 HIS 29 HE2 HIS 29 7.180 -16.889 -30.871 207 H ASP 30 HN ASP 30 4.926 -19.700 -28.462 208 HA ASP 30 HA ASP 30 3.924 -22.282 -29.376 209 HB2 ASP 30 HB2 ASP 30 6.496 -20.828 -29.790 210 HB3 ASP 30 HB1 ASP 30 6.725 -22.510 -29.189 211 H GLU 31 HN GLU 31 4.673 -24.188 -28.160 212 HA GLU 31 HA GLU 31 4.460 -23.708 -25.397 213 HB2 GLU 31 HB2 GLU 31 5.411 -26.191 -26.943 214 HB3 GLU 31 HB1 GLU 31 5.204 -26.151 -25.154 215 HG2 GLU 31 HG2 GLU 31 2.765 -25.659 -25.402 216 HG3 GLU 31 HG1 GLU 31 2.948 -25.627 -27.202 217 H GLN 32 HN GLN 32 7.205 -24.294 -27.660 218 HA GLN 32 HA GLN 32 9.122 -24.510 -25.595 219 HB2 GLN 32 HB2 GLN 32 9.509 -25.229 -27.996 220 HB3 GLN 32 HB1 GLN 32 9.517 -23.498 -28.451 221 HG2 GLN 32 HG2 GLN 32 11.500 -23.075 -27.023 222 HG3 GLN 32 HG1 GLN 32 11.477 -24.795 -26.465 223 HE21 GLN 32 HE21 GLN 32 13.799 -24.172 -27.585 224 HE22 GLN 32 HE22 GLN 32 13.945 -24.744 -29.211 225 H SER 33 HN SER 33 7.861 -21.793 -27.619 226 HA SER 33 HA SER 33 9.657 -19.894 -26.593 227 HB2 SER 33 HB2 SER 33 6.779 -19.485 -27.615 228 HB3 SER 33 HB1 SER 33 7.962 -18.153 -27.304 229 HG SER 33 HG SER 33 8.420 -18.521 -29.296 230 H CYS 34 HN CYS 34 6.405 -21.062 -25.529 231 HA CYS 34 HA CYS 34 6.230 -19.171 -23.426 232 HB2 CYS 34 HB2 CYS 34 4.963 -21.964 -23.712 233 HB3 CYS 34 HB1 CYS 34 4.551 -20.792 -22.412 234 H HIS 35 HN HIS 35 7.687 -22.435 -23.835 235 HA HIS 35 HA HIS 35 8.160 -22.864 -21.087 236 HB2 HIS 35 HB2 HIS 35 8.439 -24.723 -22.712 237 HB3 HIS 35 HB1 HIS 35 9.756 -23.811 -23.532 238 HD2 HIS 35 HD2 HIS 35 12.224 -24.581 -22.700 239 HE1 HIS 35 HE1 HIS 35 11.081 -26.106 -18.924 240 HE2 HIS 35 HE2 HIS 35 12.995 -25.769 -20.563 241 H GLN 36 HN GLN 36 9.884 -21.060 -23.667 242 HA GLN 36 HA GLN 36 12.273 -20.691 -22.265 243 HB2 GLN 36 HB2 GLN 36 10.828 -18.868 -24.239 244 HB3 GLN 36 HB1 GLN 36 12.456 -18.515 -23.593 245 HG2 GLN 36 HG2 GLN 36 11.891 -21.202 -24.937 246 HG3 GLN 36 HG1 GLN 36 12.249 -19.726 -25.919 247 HE21 GLN 36 HE21 GLN 36 13.541 -22.127 -23.686 248 HE22 GLN 36 HE22 GLN 36 15.180 -21.600 -23.732 249 H CYS 37 HN CYS 37 9.097 -19.076 -22.115 250 HA CYS 37 HA CYS 37 9.955 -16.897 -20.566 251 HB2 CYS 37 HB2 CYS 37 7.276 -18.365 -20.637 252 HB3 CYS 37 HB1 CYS 37 7.560 -16.884 -19.687 253 H HIS 38 HN HIS 38 8.957 -20.213 -19.812 254 HA HIS 38 HA HIS 38 8.985 -19.770 -17.010 255 HB2 HIS 38 HB2 HIS 38 7.717 -21.675 -18.106 256 HB3 HIS 38 HB1 HIS 38 9.311 -22.411 -18.515 257 HD2 HIS 38 HD2 HIS 38 10.828 -23.284 -16.225 258 HE1 HIS 38 HE1 HIS 38 7.428 -23.219 -13.703 259 HE2 HIS 38 HE2 HIS 38 9.837 -24.004 -13.965 260 H VAL 39 HN VAL 39 11.253 -20.915 -19.492 261 HA VAL 39 HA VAL 39 13.213 -21.746 -17.650 262 HB VAL 39 HB VAL 39 13.411 -20.724 -20.511 263 HG11 VAL 39 HG11 VAL 39 15.742 -21.894 -20.296 264 HG12 VAL 39 HG12 VAL 39 15.506 -21.746 -18.513 265 HG13 VAL 39 HG13 VAL 39 15.553 -20.266 -19.545 266 HG21 VAL 39 HG21 VAL 39 12.771 -23.295 -19.143 267 HG22 VAL 39 HG22 VAL 39 14.093 -23.439 -20.370 268 HG23 VAL 39 HG23 VAL 39 12.485 -22.780 -20.852 269 H LYS 40 HN LYS 40 12.350 -18.604 -19.185 270 HA LYS 40 HA LYS 40 14.689 -17.285 -18.286 271 HB2 LYS 40 HB2 LYS 40 11.867 -16.235 -18.894 272 HB3 LYS 40 HB1 LYS 40 13.234 -15.161 -18.424 273 HG2 LYS 40 HG2 LYS 40 14.291 -15.358 -20.455 274 HG3 LYS 40 HG1 LYS 40 13.794 -17.071 -20.680 275 HD2 LYS 40 HD2 LYS 40 12.261 -16.336 -22.161 276 HD3 LYS 40 HD1 LYS 40 11.362 -15.631 -20.777 277 HE2 LYS 40 HE2 LYS 40 12.506 -13.460 -21.072 278 HE3 LYS 40 HE1 LYS 40 13.566 -14.157 -22.366 279 HZ1 LYS 40 HZ1 LYS 40 11.886 -14.161 -23.835 280 HZ2 LYS 40 HZ2 LYS 40 11.361 -12.860 -22.879 281 HZ3 LYS 40 HZ3 LYS 40 10.665 -14.396 -22.680 282 H HIS 41 HN HIS 41 11.489 -18.038 -16.913 283 HA HIS 41 HA HIS 41 11.798 -16.457 -14.620 284 HB2 HIS 41 HB2 HIS 41 9.607 -17.419 -15.174 285 HB3 HIS 41 HB1 HIS 41 10.278 -19.072 -15.066 286 HD2 HIS 41 HD2 HIS 41 9.249 -16.095 -12.626 287 HE1 HIS 41 HE1 HIS 41 9.725 -19.659 -10.431 288 HE2 HIS 41 HE2 HIS 41 8.991 -17.231 -10.350 289 H THR 42 HN THR 42 12.708 -19.818 -15.502 290 HA THR 42 HA THR 42 13.536 -20.564 -12.956 291 HB THR 42 HB THR 42 14.559 -21.416 -15.714 292 HG1 THR 42 HG1 THR 42 12.346 -21.836 -15.028 293 HG21 THR 42 HG21 THR 42 15.206 -23.492 -14.121 294 HG22 THR 42 HG22 THR 42 15.316 -22.188 -12.883 295 HG23 THR 42 HG23 THR 42 16.323 -22.105 -14.375 296 H ASP 43 HN ASP 43 15.317 -18.985 -15.712 297 HA ASP 43 HA ASP 43 17.757 -18.911 -14.239 298 HB2 ASP 43 HB2 ASP 43 16.781 -17.301 -16.665 299 HB3 ASP 43 HB1 ASP 43 18.427 -17.108 -15.956 300 H CYS 44 HN CYS 44 14.911 -16.796 -14.556 301 HA CYS 44 HA CYS 44 16.128 -14.506 -13.421 302 HB2 CYS 44 HB2 CYS 44 13.855 -14.552 -14.684 303 HB3 CYS 44 HB1 CYS 44 13.168 -15.293 -13.204 304 H VAL 45 HN VAL 45 14.460 -17.380 -12.216 305 HA VAL 45 HA VAL 45 14.417 -16.385 -9.560 306 HB VAL 45 HB VAL 45 13.768 -18.954 -10.951 307 HG11 VAL 45 HG11 VAL 45 13.568 -20.062 -8.648 308 HG12 VAL 45 HG12 VAL 45 14.491 -18.678 -7.959 309 HG13 VAL 45 HG13 VAL 45 15.268 -19.764 -9.183 310 HG21 VAL 45 HG21 VAL 45 11.708 -18.635 -9.428 311 HG22 VAL 45 HG22 VAL 45 11.979 -17.347 -10.665 312 HG23 VAL 45 HG23 VAL 45 12.422 -17.054 -8.938 313 H ASN 46 HN ASN 46 16.475 -18.483 -11.545 314 HA ASN 46 HA ASN 46 18.025 -19.422 -9.413 315 HB2 ASN 46 HB2 ASN 46 18.491 -19.041 -12.376 316 HB3 ASN 46 HB1 ASN 46 19.843 -19.532 -11.303 317 HD21 ASN 46 HD21 ASN 46 18.259 -20.933 -13.521 318 HD22 ASN 46 HD22 ASN 46 17.782 -22.435 -12.822 319 H THR 47 HN THR 47 18.071 -16.366 -11.241 320 HA THR 47 HA THR 47 20.612 -15.725 -9.965 321 HB THR 47 HB THR 47 18.913 -14.071 -11.888 322 HG1 THR 47 HG1 THR 47 19.773 -15.858 -12.888 323 HG21 THR 47 HG21 THR 47 21.221 -12.846 -12.078 324 HG22 THR 47 HG22 THR 47 21.641 -13.680 -10.534 325 HG23 THR 47 HG23 THR 47 20.237 -12.548 -10.595 326 H GLY 48 HN GLY 48 17.172 -14.624 -10.103 327 HA2 GLY 48 HA2 GLY 48 17.677 -12.509 -8.271 328 HA3 GLY 48 HA1 GLY 48 16.074 -13.198 -8.774 329 H CYS 49 HN CYS 49 16.542 -15.953 -7.943 330 HA CYS 49 HA CYS 49 17.152 -15.708 -5.115 331 HB2 CYS 49 HB2 CYS 49 14.869 -17.112 -4.793 332 HB3 CYS 49 HB1 CYS 49 14.909 -15.332 -4.645 333 HA PRO 50 HA PRO 50 18.652 -19.437 -7.499 334 HB2 PRO 50 HB2 PRO 50 20.698 -19.573 -5.441 335 HB3 PRO 50 HB1 PRO 50 20.903 -19.090 -7.178 336 HG2 PRO 50 HG2 PRO 50 20.572 -17.357 -4.719 337 HG3 PRO 50 HG1 PRO 50 21.376 -16.981 -6.298 338 HD2 PRO 50 HD2 PRO 50 18.959 -15.907 -5.621 339 HD3 PRO 50 HD1 PRO 50 19.356 -16.346 -7.326 Start of MODEL 14 1 H1 SER 1 HT1 SER 1 9.609 -29.001 4.976 2 H2 SER 1 HT2 SER 1 8.568 -30.309 5.281 3 H3 SER 1 HT3 SER 1 9.129 -29.352 6.568 4 HA SER 1 HA SER 1 7.480 -28.305 4.364 5 HB2 SER 1 HB2 SER 1 6.305 -30.129 5.785 6 HB3 SER 1 HB1 SER 1 6.507 -29.010 7.193 7 HG SER 1 HG SER 1 5.154 -27.618 6.303 8 H SER 2 HN SER 2 9.172 -26.515 4.525 9 HA SER 2 HA SER 2 8.194 -24.616 6.457 10 HB2 SER 2 HB2 SER 2 10.110 -25.718 7.731 11 HB3 SER 2 HB1 SER 2 11.199 -25.314 6.343 12 HG SER 2 HG SER 2 11.075 -23.246 6.822 13 H THR 3 HN THR 3 8.618 -22.424 5.738 14 HA THR 3 HA THR 3 9.118 -22.355 2.930 15 HB THR 3 HB THR 3 8.900 -20.002 4.857 16 HG1 THR 3 HG1 THR 3 6.719 -20.314 3.464 17 HG21 THR 3 HG21 THR 3 8.480 -20.295 1.819 18 HG22 THR 3 HG22 THR 3 9.871 -19.481 2.626 19 HG23 THR 3 HG23 THR 3 8.214 -18.789 2.771 20 HA PRO 4 HA PRO 4 13.501 -22.107 3.167 21 HB2 PRO 4 HB2 PRO 4 13.099 -20.359 0.740 22 HB3 PRO 4 HB1 PRO 4 14.178 -21.791 0.959 23 HG2 PRO 4 HG2 PRO 4 11.881 -22.018 -0.427 24 HG3 PRO 4 HG1 PRO 4 12.417 -23.334 0.681 25 HD2 PRO 4 HD2 PRO 4 10.252 -21.231 1.079 26 HD3 PRO 4 HD1 PRO 4 10.292 -22.962 1.607 27 H ASP 5 HN ASP 5 11.681 -19.087 2.396 28 HA ASP 5 HA ASP 5 13.150 -17.775 4.450 29 HB2 ASP 5 HB2 ASP 5 14.526 -17.594 2.200 30 HB3 ASP 5 HB1 ASP 5 13.206 -16.488 1.703 31 H GLY 6 HN GLY 6 12.286 -15.267 2.635 32 HA2 GLY 6 HA2 GLY 6 9.465 -15.485 2.660 33 HA3 GLY 6 HA1 GLY 6 10.145 -14.487 4.022 34 H THR 7 HN THR 7 12.543 -13.665 2.457 35 HA THR 7 HA THR 7 11.140 -11.665 0.816 36 HB THR 7 HB THR 7 13.997 -11.745 1.920 37 HG1 THR 7 HG1 THR 7 12.667 -9.573 2.539 38 HG21 THR 7 HG21 THR 7 14.181 -10.678 -0.214 39 HG22 THR 7 HG22 THR 7 13.957 -9.309 0.941 40 HG23 THR 7 HG23 THR 7 12.569 -9.884 -0.061 41 H TRP 8 HN TRP 8 13.546 -14.245 0.888 42 HA TRP 8 HA TRP 8 14.555 -13.856 -1.665 43 HB2 TRP 8 HB2 TRP 8 15.845 -15.477 -0.656 44 HB3 TRP 8 HB1 TRP 8 14.508 -16.017 0.377 45 HD1 TRP 8 HD1 TRP 8 16.289 -16.917 -2.898 46 HE1 TRP 8 HE1 TRP 8 15.261 -19.067 -3.796 47 HE3 TRP 8 HE3 TRP 8 12.305 -17.290 0.228 48 HZ2 TRP 8 HZ2 TRP 8 13.043 -20.696 -3.237 49 HZ3 TRP 8 HZ3 TRP 8 10.764 -19.171 -0.012 50 HH2 TRP 8 HH2 TRP 8 11.138 -20.856 -1.740 51 H VAL 9 HN VAL 9 11.602 -15.465 -0.400 52 HA VAL 9 HA VAL 9 10.970 -16.693 -2.878 53 HB VAL 9 HB VAL 9 9.994 -17.419 -0.673 54 HG11 VAL 9 HG11 VAL 9 9.657 -14.792 -0.155 55 HG12 VAL 9 HG12 VAL 9 8.553 -16.027 0.547 56 HG13 VAL 9 HG13 VAL 9 8.049 -15.088 -0.908 57 HG21 VAL 9 HG21 VAL 9 9.022 -18.031 -2.890 58 HG22 VAL 9 HG22 VAL 9 8.022 -16.518 -2.861 59 HG23 VAL 9 HG23 VAL 9 7.743 -17.815 -1.634 60 H LYS 10 HN LYS 10 10.600 -13.441 -1.526 61 HA LYS 10 HA LYS 10 8.443 -12.674 -3.161 62 HB2 LYS 10 HB2 LYS 10 10.774 -11.026 -2.010 63 HB3 LYS 10 HB1 LYS 10 9.426 -10.294 -2.945 64 HG2 LYS 10 HG2 LYS 10 7.782 -11.039 -1.278 65 HG3 LYS 10 HG1 LYS 10 9.046 -11.943 -0.379 66 HD2 LYS 10 HD2 LYS 10 8.655 -9.863 0.804 67 HD3 LYS 10 HD1 LYS 10 10.263 -9.741 0.011 68 HE2 LYS 10 HE2 LYS 10 9.284 -8.361 -1.825 69 HE3 LYS 10 HE1 LYS 10 7.634 -8.532 -1.094 70 HZ1 LYS 10 HZ1 LYS 10 8.322 -6.566 -0.253 71 HZ2 LYS 10 HZ2 LYS 10 9.962 -6.998 -0.168 72 HZ3 LYS 10 HZ3 LYS 10 8.865 -7.596 0.982 73 H CYS 11 HN CYS 11 11.856 -13.317 -3.740 74 HA CYS 11 HA CYS 11 11.954 -11.835 -6.167 75 HB2 CYS 11 HB2 CYS 11 14.152 -12.225 -5.406 76 HB3 CYS 11 HB1 CYS 11 13.732 -13.832 -4.772 77 H ARG 12 HN ARG 12 11.363 -15.218 -5.124 78 HA ARG 12 HA ARG 12 11.224 -16.336 -7.629 79 HB2 ARG 12 HB2 ARG 12 9.504 -16.941 -5.171 80 HB3 ARG 12 HB1 ARG 12 9.667 -17.991 -6.591 81 HG2 ARG 12 HG2 ARG 12 12.146 -17.150 -5.103 82 HG3 ARG 12 HG1 ARG 12 11.089 -18.428 -4.419 83 HD2 ARG 12 HD2 ARG 12 11.294 -19.712 -6.604 84 HD3 ARG 12 HD1 ARG 12 12.481 -18.455 -7.165 85 HE ARG 12 HE ARG 12 13.521 -19.189 -4.734 86 HH11 ARG 12 HH11 ARG 12 12.272 -21.015 -7.528 87 HH12 ARG 12 HH12 ARG 12 13.347 -22.358 -7.330 88 HH21 ARG 12 HH21 ARG 12 14.991 -21.029 -4.468 89 HH22 ARG 12 HH22 ARG 12 14.916 -22.365 -5.564 90 H HIS 13 HN HIS 13 8.803 -14.660 -5.601 91 HA HIS 13 HA HIS 13 6.730 -15.029 -7.520 92 HB2 HIS 13 HB2 HIS 13 6.048 -14.563 -5.225 93 HB3 HIS 13 HB1 HIS 13 7.070 -13.084 -5.175 94 HD2 HIS 13 HD2 HIS 13 5.762 -10.770 -5.891 95 HE1 HIS 13 HE1 HIS 13 2.313 -12.623 -7.489 96 HE2 HIS 13 HE2 HIS 13 3.414 -10.420 -6.854 97 H ASP 14 HN ASP 14 9.171 -12.472 -6.849 98 HA ASP 14 HA ASP 14 8.060 -10.520 -8.503 99 HB2 ASP 14 HB2 ASP 14 10.128 -10.272 -6.936 100 HB3 ASP 14 HB1 ASP 14 11.075 -11.012 -8.266 101 H CYS 15 HN CYS 15 10.571 -13.068 -9.296 102 HA CYS 15 HA CYS 15 10.543 -12.285 -12.046 103 HB2 CYS 15 HB2 CYS 15 11.466 -14.914 -10.722 104 HB3 CYS 15 HB1 CYS 15 11.693 -14.529 -12.457 105 H PHE 16 HN PHE 16 8.623 -14.395 -9.984 106 HA PHE 16 HA PHE 16 7.609 -16.024 -12.014 107 HB2 PHE 16 HB2 PHE 16 7.208 -16.457 -9.588 108 HB3 PHE 16 HB1 PHE 16 6.164 -15.000 -9.524 109 HD1 PHE 16 HD1 PHE 16 6.523 -17.989 -11.752 110 HD2 PHE 16 HD2 PHE 16 3.984 -15.466 -9.454 111 HE1 PHE 16 HE1 PHE 16 4.592 -19.365 -12.355 112 HE2 PHE 16 HE2 PHE 16 2.060 -16.854 -10.069 113 HZ PHE 16 HZ PHE 16 2.362 -18.801 -11.516 114 H THR 17 HN THR 17 6.456 -12.881 -10.623 115 HA THR 17 HA THR 17 4.217 -12.774 -12.341 116 HB THR 17 HB THR 17 4.217 -10.321 -11.893 117 HG1 THR 17 HG1 THR 17 6.753 -11.003 -10.895 118 HG21 THR 17 HG21 THR 17 3.310 -10.749 -9.848 119 HG22 THR 17 HG22 THR 17 4.887 -11.320 -9.187 120 HG23 THR 17 HG23 THR 17 3.831 -12.456 -10.108 121 H LYS 18 HN LYS 18 7.652 -11.760 -12.677 122 HA LYS 18 HA LYS 18 7.257 -10.362 -15.078 123 HB2 LYS 18 HB2 LYS 18 9.663 -11.740 -13.832 124 HB3 LYS 18 HB1 LYS 18 9.755 -11.133 -15.520 125 HG2 LYS 18 HG2 LYS 18 10.524 -9.613 -13.475 126 HG3 LYS 18 HG1 LYS 18 9.680 -8.903 -14.892 127 HD2 LYS 18 HD2 LYS 18 7.640 -8.661 -13.721 128 HD3 LYS 18 HD1 LYS 18 8.084 -9.883 -12.489 129 HE2 LYS 18 HE2 LYS 18 8.161 -7.584 -11.536 130 HE3 LYS 18 HE1 LYS 18 9.817 -8.313 -11.565 131 HZ1 LYS 18 HZ1 LYS 18 10.505 -6.801 -12.997 132 HZ2 LYS 18 HZ2 LYS 18 9.127 -5.911 -12.559 133 HZ3 LYS 18 HZ3 LYS 18 9.108 -6.872 -13.959 134 H TYR 19 HN TYR 19 7.447 -13.775 -14.209 135 HA TYR 19 HA TYR 19 7.920 -14.549 -16.938 136 HB2 TYR 19 HB2 TYR 19 8.745 -16.191 -15.480 137 HB3 TYR 19 HB1 TYR 19 7.392 -15.992 -14.322 138 HD1 TYR 19 HD1 TYR 19 8.310 -17.310 -17.668 139 HD2 TYR 19 HD2 TYR 19 5.546 -17.322 -14.442 140 HE1 TYR 19 HE1 TYR 19 7.180 -19.240 -18.654 141 HE2 TYR 19 HE2 TYR 19 4.415 -19.250 -15.426 142 HH TYR 19 HH TYR 19 5.262 -21.243 -17.111 143 H LYS 20 HN LYS 20 5.185 -14.549 -14.563 144 HA LYS 20 HA LYS 20 3.329 -15.706 -16.281 145 HB2 LYS 20 HB2 LYS 20 2.859 -13.511 -14.211 146 HB3 LYS 20 HB1 LYS 20 1.593 -14.548 -14.942 147 HG2 LYS 20 HG2 LYS 20 3.953 -15.583 -13.330 148 HG3 LYS 20 HG1 LYS 20 2.330 -15.268 -12.671 149 HD2 LYS 20 HD2 LYS 20 2.490 -17.021 -15.118 150 HD3 LYS 20 HD1 LYS 20 3.121 -17.706 -13.588 151 HE2 LYS 20 HE2 LYS 20 0.937 -17.318 -12.473 152 HE3 LYS 20 HE1 LYS 20 0.295 -16.515 -13.963 153 HZ1 LYS 20 HZ1 LYS 20 -0.440 -18.611 -14.233 154 HZ2 LYS 20 HZ2 LYS 20 0.870 -19.341 -13.438 155 HZ3 LYS 20 HZ3 LYS 20 1.056 -18.762 -15.029 156 H SER 21 HN SER 21 4.701 -12.481 -16.043 157 HA SER 21 HA SER 21 2.754 -11.151 -17.553 158 HB2 SER 21 HB2 SER 21 4.703 -9.942 -16.436 159 HB3 SER 21 HB1 SER 21 5.804 -10.681 -17.667 160 HG SER 21 HG SER 21 4.069 -9.689 -19.155 161 H CYS 22 HN CYS 22 5.446 -13.357 -18.436 162 HA CYS 22 HA CYS 22 5.263 -12.817 -21.217 163 HB2 CYS 22 HB2 CYS 22 7.287 -13.912 -20.257 164 HB3 CYS 22 HB1 CYS 22 6.274 -15.293 -19.738 165 H GLN 23 HN GLN 23 3.780 -15.203 -18.971 166 HA GLN 23 HA GLN 23 2.532 -16.673 -21.022 167 HB2 GLN 23 HB2 GLN 23 1.800 -16.294 -18.059 168 HB3 GLN 23 HB1 GLN 23 0.856 -17.356 -19.165 169 HG2 GLN 23 HG2 GLN 23 3.091 -18.600 -19.671 170 HG3 GLN 23 HG1 GLN 23 3.775 -17.696 -18.258 171 HE21 GLN 23 HE21 GLN 23 2.147 -20.525 -19.188 172 HE22 GLN 23 HE22 GLN 23 1.484 -20.985 -17.658 173 H MET 24 HN MET 24 1.862 -13.575 -19.437 174 HA MET 24 HA MET 24 -0.859 -13.570 -20.378 175 HB2 MET 24 HB2 MET 24 0.918 -11.361 -19.221 176 HB3 MET 24 HB1 MET 24 -0.799 -11.138 -19.683 177 HG2 MET 24 HG2 MET 24 0.152 -13.205 -17.646 178 HG3 MET 24 HG1 MET 24 -0.353 -11.550 -17.217 179 HE1 MET 24 HE1 MET 24 -1.767 -15.063 -16.867 180 HE2 MET 24 HE2 MET 24 -0.910 -14.879 -18.435 181 HE3 MET 24 HE3 MET 24 -2.666 -15.255 -18.412 182 H SER 25 HN SER 25 2.363 -12.779 -21.480 183 HA SER 25 HA SER 25 1.456 -10.922 -23.455 184 HB2 SER 25 HB2 SER 25 4.092 -12.503 -23.271 185 HB3 SER 25 HB1 SER 25 3.759 -11.181 -24.464 186 HG SER 25 HG SER 25 3.571 -10.892 -21.639 187 H ASP 26 HN ASP 26 2.006 -11.446 -25.879 188 HA ASP 26 HA ASP 26 0.627 -13.935 -26.409 189 HB2 ASP 26 HB2 ASP 26 1.641 -11.756 -28.310 190 HB3 ASP 26 HB1 ASP 26 0.646 -13.176 -28.792 191 H SER 27 HN SER 27 3.634 -13.300 -25.502 192 HA SER 27 HA SER 27 5.052 -14.436 -27.727 193 HB2 SER 27 HB2 SER 27 5.952 -13.953 -24.816 194 HB3 SER 27 HB1 SER 27 7.036 -14.494 -26.160 195 HG SER 27 HG SER 27 7.281 -12.426 -26.311 196 H CYS 28 HN CYS 28 3.011 -15.508 -25.228 197 HA CYS 28 HA CYS 28 4.380 -18.063 -25.027 198 HB2 CYS 28 HB2 CYS 28 3.305 -16.960 -22.971 199 HB3 CYS 28 HB1 CYS 28 1.722 -17.169 -23.793 200 H HIS 29 HN HIS 29 3.960 -18.012 -27.562 201 HA HIS 29 HA HIS 29 1.227 -18.940 -28.040 202 HB2 HIS 29 HB2 HIS 29 1.907 -18.812 -30.504 203 HB3 HIS 29 HB1 HIS 29 1.883 -17.223 -29.665 204 HD2 HIS 29 HD2 HIS 29 4.511 -16.138 -29.102 205 HE1 HIS 29 HE1 HIS 29 6.436 -18.771 -31.783 206 HE2 HIS 29 HE2 HIS 29 6.667 -16.669 -30.372 207 H ASP 30 HN ASP 30 4.675 -19.803 -28.051 208 HA ASP 30 HA ASP 30 3.854 -22.489 -28.847 209 HB2 ASP 30 HB2 ASP 30 6.559 -21.055 -29.054 210 HB3 ASP 30 HB1 ASP 30 6.413 -22.843 -29.175 211 H GLU 31 HN GLU 31 4.658 -24.255 -27.555 212 HA GLU 31 HA GLU 31 4.704 -23.611 -24.821 213 HB2 GLU 31 HB2 GLU 31 5.530 -26.175 -26.304 214 HB3 GLU 31 HB1 GLU 31 5.493 -26.033 -24.509 215 HG2 GLU 31 HG2 GLU 31 3.042 -25.593 -24.534 216 HG3 GLU 31 HG1 GLU 31 3.043 -25.613 -26.344 217 H GLN 32 HN GLN 32 7.223 -24.283 -27.306 218 HA GLN 32 HA GLN 32 9.342 -24.406 -25.447 219 HB2 GLN 32 HB2 GLN 32 9.497 -25.186 -27.852 220 HB3 GLN 32 HB1 GLN 32 9.426 -23.472 -28.355 221 HG2 GLN 32 HG2 GLN 32 11.538 -22.972 -27.154 222 HG3 GLN 32 HG1 GLN 32 11.605 -24.676 -26.545 223 HE21 GLN 32 HE21 GLN 32 13.786 -24.027 -27.927 224 HE22 GLN 32 HE22 GLN 32 13.774 -24.655 -29.539 225 H SER 33 HN SER 33 7.831 -21.754 -27.389 226 HA SER 33 HA SER 33 9.697 -19.803 -26.620 227 HB2 SER 33 HB2 SER 33 6.713 -19.480 -27.323 228 HB3 SER 33 HB1 SER 33 7.871 -18.102 -27.134 229 HG SER 33 HG SER 33 8.003 -18.501 -29.200 230 H CYS 34 HN CYS 34 6.598 -20.970 -25.158 231 HA CYS 34 HA CYS 34 6.708 -19.037 -23.073 232 HB2 CYS 34 HB2 CYS 34 4.800 -20.918 -23.915 233 HB3 CYS 34 HB1 CYS 34 5.427 -21.644 -22.395 234 H HIS 35 HN HIS 35 8.102 -22.283 -23.659 235 HA HIS 35 HA HIS 35 8.787 -22.767 -20.961 236 HB2 HIS 35 HB2 HIS 35 8.896 -24.591 -22.667 237 HB3 HIS 35 HB1 HIS 35 10.204 -23.694 -23.519 238 HD2 HIS 35 HD2 HIS 35 12.691 -24.529 -22.793 239 HE1 HIS 35 HE1 HIS 35 11.649 -26.143 -19.026 240 HE2 HIS 35 HE2 HIS 35 13.512 -25.791 -20.719 241 H GLN 36 HN GLN 36 10.351 -21.004 -23.677 242 HA GLN 36 HA GLN 36 12.824 -20.670 -22.415 243 HB2 GLN 36 HB2 GLN 36 11.311 -18.831 -24.332 244 HB3 GLN 36 HB1 GLN 36 12.991 -18.523 -23.791 245 HG2 GLN 36 HG2 GLN 36 12.296 -21.225 -25.034 246 HG3 GLN 36 HG1 GLN 36 12.556 -19.777 -26.089 247 HE21 GLN 36 HE21 GLN 36 14.049 -21.941 -23.666 248 HE22 GLN 36 HE22 GLN 36 15.681 -21.475 -23.969 249 H CYS 37 HN CYS 37 9.721 -18.915 -22.203 250 HA CYS 37 HA CYS 37 10.765 -16.829 -20.620 251 HB2 CYS 37 HB2 CYS 37 7.963 -17.981 -20.920 252 HB3 CYS 37 HB1 CYS 37 8.328 -16.625 -19.815 253 H HIS 38 HN HIS 38 9.483 -20.061 -19.964 254 HA HIS 38 HA HIS 38 9.394 -19.670 -17.159 255 HB2 HIS 38 HB2 HIS 38 8.136 -21.532 -18.326 256 HB3 HIS 38 HB1 HIS 38 9.725 -22.292 -18.706 257 HD2 HIS 38 HD2 HIS 38 11.154 -23.252 -16.388 258 HE1 HIS 38 HE1 HIS 38 7.674 -23.207 -13.978 259 HE2 HIS 38 HE2 HIS 38 10.078 -24.020 -14.185 260 H VAL 39 HN VAL 39 11.754 -20.816 -19.546 261 HA VAL 39 HA VAL 39 13.620 -21.694 -17.616 262 HB VAL 39 HB VAL 39 13.935 -20.714 -20.486 263 HG11 VAL 39 HG11 VAL 39 16.046 -20.268 -19.443 264 HG12 VAL 39 HG12 VAL 39 16.241 -21.900 -20.188 265 HG13 VAL 39 HG13 VAL 39 15.950 -21.744 -18.414 266 HG21 VAL 39 HG21 VAL 39 13.190 -23.245 -19.119 267 HG22 VAL 39 HG22 VAL 39 14.584 -23.444 -20.253 268 HG23 VAL 39 HG23 VAL 39 13.023 -22.768 -20.852 269 H LYS 40 HN LYS 40 12.854 -18.555 -19.210 270 HA LYS 40 HA LYS 40 15.180 -17.260 -18.254 271 HB2 LYS 40 HB2 LYS 40 12.393 -16.199 -18.981 272 HB3 LYS 40 HB1 LYS 40 13.726 -15.123 -18.431 273 HG2 LYS 40 HG2 LYS 40 14.898 -15.306 -20.401 274 HG3 LYS 40 HG1 LYS 40 14.414 -17.017 -20.666 275 HD2 LYS 40 HD2 LYS 40 12.824 -16.362 -22.119 276 HD3 LYS 40 HD1 LYS 40 12.028 -15.386 -20.840 277 HE2 LYS 40 HE2 LYS 40 13.400 -13.420 -21.399 278 HE3 LYS 40 HE1 LYS 40 14.391 -14.391 -22.564 279 HZ1 LYS 40 HZ1 LYS 40 11.599 -14.603 -23.097 280 HZ2 LYS 40 HZ2 LYS 40 12.875 -14.109 -24.103 281 HZ3 LYS 40 HZ3 LYS 40 12.106 -12.983 -23.091 282 H HIS 41 HN HIS 41 11.934 -17.972 -16.966 283 HA HIS 41 HA HIS 41 12.190 -16.374 -14.679 284 HB2 HIS 41 HB2 HIS 41 10.008 -17.322 -15.245 285 HB3 HIS 41 HB1 HIS 41 10.670 -18.981 -15.164 286 HD2 HIS 41 HD2 HIS 41 9.597 -16.061 -12.689 287 HE1 HIS 41 HE1 HIS 41 10.096 -19.649 -10.539 288 HE2 HIS 41 HE2 HIS 41 9.331 -17.231 -10.432 289 H THR 42 HN THR 42 13.122 -19.741 -15.508 290 HA THR 42 HA THR 42 13.894 -20.463 -12.937 291 HB THR 42 HB THR 42 14.974 -21.341 -15.665 292 HG1 THR 42 HG1 THR 42 12.748 -21.760 -15.016 293 HG21 THR 42 HG21 THR 42 15.611 -23.397 -14.059 294 HG22 THR 42 HG22 THR 42 15.662 -22.100 -12.808 295 HG23 THR 42 HG23 THR 42 16.715 -21.991 -14.267 296 H ASP 43 HN ASP 43 15.733 -18.904 -15.670 297 HA ASP 43 HA ASP 43 18.141 -18.812 -14.142 298 HB2 ASP 43 HB2 ASP 43 17.218 -17.226 -16.606 299 HB3 ASP 43 HB1 ASP 43 18.848 -17.026 -15.862 300 H CYS 44 HN CYS 44 15.294 -16.711 -14.542 301 HA CYS 44 HA CYS 44 16.472 -14.400 -13.407 302 HB2 CYS 44 HB2 CYS 44 14.216 -14.481 -14.704 303 HB3 CYS 44 HB1 CYS 44 13.517 -15.211 -13.223 304 H VAL 45 HN VAL 45 14.812 -17.275 -12.204 305 HA VAL 45 HA VAL 45 14.719 -16.262 -9.559 306 HB VAL 45 HB VAL 45 14.121 -18.845 -10.942 307 HG11 VAL 45 HG11 VAL 45 15.597 -19.637 -9.152 308 HG12 VAL 45 HG12 VAL 45 13.893 -19.935 -8.629 309 HG13 VAL 45 HG13 VAL 45 14.809 -18.543 -7.947 310 HG21 VAL 45 HG21 VAL 45 12.298 -17.285 -10.701 311 HG22 VAL 45 HG22 VAL 45 12.728 -16.928 -8.982 312 HG23 VAL 45 HG23 VAL 45 12.043 -18.536 -9.425 313 H ASN 46 HN ASN 46 16.830 -18.352 -11.498 314 HA ASN 46 HA ASN 46 18.362 -19.244 -9.330 315 HB2 ASN 46 HB2 ASN 46 18.856 -18.921 -12.295 316 HB3 ASN 46 HB1 ASN 46 20.198 -19.382 -11.199 317 HD21 ASN 46 HD21 ASN 46 18.647 -20.837 -13.406 318 HD22 ASN 46 HD22 ASN 46 18.170 -22.328 -12.682 319 H THR 47 HN THR 47 18.382 -16.222 -11.205 320 HA THR 47 HA THR 47 20.920 -15.529 -9.957 321 HB THR 47 HB THR 47 19.165 -13.907 -11.858 322 HG1 THR 47 HG1 THR 47 20.038 -15.688 -12.861 323 HG21 THR 47 HG21 THR 47 21.905 -13.469 -10.546 324 HG22 THR 47 HG22 THR 47 20.486 -12.356 -10.596 325 HG23 THR 47 HG23 THR 47 21.456 -12.653 -12.090 326 H GLY 48 HN GLY 48 17.464 -14.473 -10.059 327 HA2 GLY 48 HA2 GLY 48 17.964 -12.356 -8.225 328 HA3 GLY 48 HA1 GLY 48 16.364 -13.057 -8.721 329 H CYS 49 HN CYS 49 16.866 -15.812 -7.903 330 HA CYS 49 HA CYS 49 17.473 -15.560 -5.071 331 HB2 CYS 49 HB2 CYS 49 15.216 -17.023 -4.774 332 HB3 CYS 49 HB1 CYS 49 15.226 -15.245 -4.596 333 HA PRO 50 HA PRO 50 19.054 -19.258 -7.453 334 HB2 PRO 50 HB2 PRO 50 21.116 -19.349 -5.413 335 HB3 PRO 50 HB1 PRO 50 21.298 -18.847 -7.147 336 HG2 PRO 50 HG2 PRO 50 20.929 -17.143 -4.670 337 HG3 PRO 50 HG1 PRO 50 21.728 -16.737 -6.243 338 HD2 PRO 50 HD2 PRO 50 19.288 -15.721 -5.568 339 HD3 PRO 50 HD1 PRO 50 19.695 -16.144 -7.274 Start of MODEL 15 1 H1 SER 1 HT1 SER 1 11.356 -29.418 5.061 2 H2 SER 1 HT2 SER 1 10.370 -30.801 5.134 3 H3 SER 1 HT3 SER 1 11.416 -30.436 6.422 4 HA SER 1 HA SER 1 9.045 -28.904 5.569 5 HB2 SER 1 HB2 SER 1 8.710 -31.066 6.958 6 HB3 SER 1 HB1 SER 1 9.626 -30.234 8.278 7 HG SER 1 HG SER 1 8.045 -28.814 8.504 8 H SER 2 HN SER 2 10.535 -26.993 5.252 9 HA SER 2 HA SER 2 10.761 -25.638 7.779 10 HB2 SER 2 HB2 SER 2 13.048 -26.750 7.593 11 HB3 SER 2 HB1 SER 2 13.241 -25.968 5.973 12 HG SER 2 HG SER 2 13.408 -24.056 6.893 13 H THR 3 HN THR 3 10.707 -23.328 7.468 14 HA THR 3 HA THR 3 9.694 -22.645 4.887 15 HB THR 3 HB THR 3 10.439 -20.827 7.226 16 HG1 THR 3 HG1 THR 3 7.903 -20.938 7.014 17 HG21 THR 3 HG21 THR 3 8.980 -19.180 6.074 18 HG22 THR 3 HG22 THR 3 8.652 -20.366 4.758 19 HG23 THR 3 HG23 THR 3 10.313 -19.702 4.979 20 HA PRO 4 HA PRO 4 13.658 -21.814 3.178 21 HB2 PRO 4 HB2 PRO 4 12.772 -20.260 1.038 22 HB3 PRO 4 HB1 PRO 4 12.756 -22.074 1.060 23 HG2 PRO 4 HG2 PRO 4 10.498 -20.104 1.622 24 HG3 PRO 4 HG1 PRO 4 10.458 -21.681 0.732 25 HD2 PRO 4 HD2 PRO 4 9.566 -21.423 3.320 26 HD3 PRO 4 HD1 PRO 4 10.341 -22.939 2.706 27 H ASP 5 HN ASP 5 11.484 -18.939 2.808 28 HA ASP 5 HA ASP 5 13.105 -17.457 4.575 29 HB2 ASP 5 HB2 ASP 5 14.354 -17.491 2.247 30 HB3 ASP 5 HB1 ASP 5 13.015 -16.418 1.729 31 H GLY 6 HN GLY 6 12.156 -15.109 2.593 32 HA2 GLY 6 HA2 GLY 6 9.351 -15.278 2.708 33 HA3 GLY 6 HA1 GLY 6 10.051 -14.251 4.038 34 H THR 7 HN THR 7 12.441 -13.494 2.421 35 HA THR 7 HA THR 7 11.043 -11.511 0.762 36 HB THR 7 HB THR 7 13.918 -11.629 1.812 37 HG1 THR 7 HG1 THR 7 12.566 -9.402 2.332 38 HG21 THR 7 HG21 THR 7 12.511 -9.783 -0.201 39 HG22 THR 7 HG22 THR 7 14.087 -10.647 -0.370 40 HG23 THR 7 HG23 THR 7 13.946 -9.237 0.747 41 H TRP 8 HN TRP 8 13.362 -14.159 0.835 42 HA TRP 8 HA TRP 8 14.344 -13.852 -1.738 43 HB2 TRP 8 HB2 TRP 8 15.586 -15.506 -0.717 44 HB3 TRP 8 HB1 TRP 8 14.242 -15.978 0.340 45 HD1 TRP 8 HD1 TRP 8 15.945 -16.993 -2.941 46 HE1 TRP 8 HE1 TRP 8 14.825 -19.115 -3.794 47 HE3 TRP 8 HE3 TRP 8 11.994 -17.169 0.242 48 HZ2 TRP 8 HZ2 TRP 8 12.554 -20.651 -3.182 49 HZ3 TRP 8 HZ3 TRP 8 10.380 -18.995 0.047 50 HH2 TRP 8 HH2 TRP 8 10.662 -20.720 -1.657 51 H VAL 9 HN VAL 9 11.351 -15.331 -0.403 52 HA VAL 9 HA VAL 9 10.635 -16.574 -2.852 53 HB VAL 9 HB VAL 9 9.668 -17.223 -0.619 54 HG11 VAL 9 HG11 VAL 9 7.790 -14.843 -0.861 55 HG12 VAL 9 HG12 VAL 9 9.427 -14.564 -0.166 56 HG13 VAL 9 HG13 VAL 9 8.317 -15.753 0.602 57 HG21 VAL 9 HG21 VAL 9 7.704 -16.294 -2.801 58 HG22 VAL 9 HG22 VAL 9 7.386 -17.549 -1.539 59 HG23 VAL 9 HG23 VAL 9 8.639 -17.843 -2.806 60 H LYS 10 HN LYS 10 10.415 -13.288 -1.555 61 HA LYS 10 HA LYS 10 8.262 -12.466 -3.166 62 HB2 LYS 10 HB2 LYS 10 10.684 -10.874 -2.122 63 HB3 LYS 10 HB1 LYS 10 9.300 -10.125 -2.989 64 HG2 LYS 10 HG2 LYS 10 7.738 -10.931 -1.217 65 HG3 LYS 10 HG1 LYS 10 9.115 -11.687 -0.347 66 HD2 LYS 10 HD2 LYS 10 10.183 -9.438 -0.081 67 HD3 LYS 10 HD1 LYS 10 8.810 -8.680 -0.959 68 HE2 LYS 10 HE2 LYS 10 7.233 -9.443 0.839 69 HE3 LYS 10 HE1 LYS 10 8.613 -10.220 1.721 70 HZ1 LYS 10 HZ1 LYS 10 9.201 -8.282 2.532 71 HZ2 LYS 10 HZ2 LYS 10 7.736 -7.645 1.955 72 HZ3 LYS 10 HZ3 LYS 10 9.150 -7.501 1.026 73 H CYS 11 HN CYS 11 11.633 -13.261 -3.788 74 HA CYS 11 HA CYS 11 11.752 -11.821 -6.240 75 HB2 CYS 11 HB2 CYS 11 13.944 -12.278 -5.498 76 HB3 CYS 11 HB1 CYS 11 13.475 -13.858 -4.832 77 H ARG 12 HN ARG 12 11.056 -15.162 -5.129 78 HA ARG 12 HA ARG 12 10.838 -16.316 -7.612 79 HB2 ARG 12 HB2 ARG 12 9.149 -16.817 -5.112 80 HB3 ARG 12 HB1 ARG 12 9.234 -17.894 -6.519 81 HG2 ARG 12 HG2 ARG 12 11.778 -17.130 -5.100 82 HG3 ARG 12 HG1 ARG 12 10.690 -18.360 -4.380 83 HD2 ARG 12 HD2 ARG 12 10.796 -19.669 -6.558 84 HD3 ARG 12 HD1 ARG 12 12.022 -18.467 -7.152 85 HE ARG 12 HE ARG 12 13.054 -19.235 -4.716 86 HH11 ARG 12 HH11 ARG 12 11.766 -20.975 -7.547 87 HH12 ARG 12 HH12 ARG 12 12.809 -22.347 -7.373 88 HH21 ARG 12 HH21 ARG 12 14.478 -21.113 -4.481 89 HH22 ARG 12 HH22 ARG 12 14.374 -22.428 -5.603 90 H HIS 13 HN HIS 13 8.500 -14.527 -5.578 91 HA HIS 13 HA HIS 13 6.386 -14.868 -7.463 92 HB2 HIS 13 HB2 HIS 13 5.756 -14.342 -5.166 93 HB3 HIS 13 HB1 HIS 13 6.815 -12.888 -5.160 94 HD2 HIS 13 HD2 HIS 13 5.547 -10.560 -5.879 95 HE1 HIS 13 HE1 HIS 13 2.049 -12.352 -7.440 96 HE2 HIS 13 HE2 HIS 13 3.201 -10.167 -6.832 97 H ASP 14 HN ASP 14 8.898 -12.354 -6.858 98 HA ASP 14 HA ASP 14 7.815 -10.414 -8.548 99 HB2 ASP 14 HB2 ASP 14 9.878 -10.147 -6.999 100 HB3 ASP 14 HB1 ASP 14 10.818 -10.971 -8.283 101 H CYS 15 HN CYS 15 10.257 -13.038 -9.286 102 HA CYS 15 HA CYS 15 10.245 -12.307 -12.050 103 HB2 CYS 15 HB2 CYS 15 11.114 -14.926 -10.673 104 HB3 CYS 15 HB1 CYS 15 11.351 -14.578 -12.415 105 H PHE 16 HN PHE 16 8.262 -14.306 -9.940 106 HA PHE 16 HA PHE 16 7.225 -15.967 -11.938 107 HB2 PHE 16 HB2 PHE 16 6.794 -16.338 -9.507 108 HB3 PHE 16 HB1 PHE 16 5.786 -14.855 -9.483 109 HD1 PHE 16 HD1 PHE 16 6.106 -17.936 -11.580 110 HD2 PHE 16 HD2 PHE 16 3.584 -15.222 -9.493 111 HE1 PHE 16 HE1 PHE 16 4.147 -19.272 -12.188 112 HE2 PHE 16 HE2 PHE 16 1.632 -16.570 -10.110 113 HZ PHE 16 HZ PHE 16 1.913 -18.594 -11.456 114 H THR 17 HN THR 17 6.146 -12.760 -10.635 115 HA THR 17 HA THR 17 3.909 -12.639 -12.357 116 HB THR 17 HB THR 17 3.988 -10.172 -11.989 117 HG1 THR 17 HG1 THR 17 6.490 -10.895 -10.920 118 HG21 THR 17 HG21 THR 17 3.530 -12.230 -10.139 119 HG22 THR 17 HG22 THR 17 3.080 -10.496 -9.924 120 HG23 THR 17 HG23 THR 17 4.636 -11.114 -9.255 121 H LYS 18 HN LYS 18 7.374 -11.721 -12.720 122 HA LYS 18 HA LYS 18 7.000 -10.426 -15.185 123 HB2 LYS 18 HB2 LYS 18 9.389 -11.764 -13.862 124 HB3 LYS 18 HB1 LYS 18 9.494 -11.242 -15.578 125 HG2 LYS 18 HG2 LYS 18 10.285 -9.623 -13.641 126 HG3 LYS 18 HG1 LYS 18 9.396 -8.975 -15.059 127 HD2 LYS 18 HD2 LYS 18 7.399 -8.677 -13.840 128 HD3 LYS 18 HD1 LYS 18 7.867 -9.865 -12.582 129 HE2 LYS 18 HE2 LYS 18 7.978 -7.535 -11.707 130 HE3 LYS 18 HE1 LYS 18 9.627 -8.278 -11.747 131 HZ1 LYS 18 HZ1 LYS 18 9.164 -7.062 -14.211 132 HZ2 LYS 18 HZ2 LYS 18 10.256 -6.614 -12.992 133 HZ3 LYS 18 HZ3 LYS 18 8.691 -5.957 -13.013 134 H TYR 19 HN TYR 19 7.230 -13.798 -14.146 135 HA TYR 19 HA TYR 19 7.734 -14.758 -16.784 136 HB2 TYR 19 HB2 TYR 19 8.369 -16.347 -15.188 137 HB3 TYR 19 HB1 TYR 19 6.978 -15.990 -14.125 138 HD1 TYR 19 HD1 TYR 19 7.892 -17.505 -17.397 139 HD2 TYR 19 HD2 TYR 19 5.142 -17.309 -14.175 140 HE1 TYR 19 HE1 TYR 19 6.702 -19.437 -18.308 141 HE2 TYR 19 HE2 TYR 19 3.954 -19.240 -15.085 142 HH TYR 19 HH TYR 19 3.631 -20.345 -17.321 143 H LYS 20 HN LYS 20 4.876 -14.527 -14.586 144 HA LYS 20 HA LYS 20 3.091 -15.663 -16.386 145 HB2 LYS 20 HB2 LYS 20 2.562 -13.372 -14.420 146 HB3 LYS 20 HB1 LYS 20 1.321 -14.424 -15.172 147 HG2 LYS 20 HG2 LYS 20 3.564 -15.433 -13.375 148 HG3 LYS 20 HG1 LYS 20 1.920 -15.037 -12.813 149 HD2 LYS 20 HD2 LYS 20 2.115 -16.920 -15.159 150 HD3 LYS 20 HD1 LYS 20 2.702 -17.545 -13.580 151 HE2 LYS 20 HE2 LYS 20 0.476 -16.930 -12.544 152 HE3 LYS 20 HE1 LYS 20 -0.105 -16.394 -14.174 153 HZ1 LYS 20 HZ1 LYS 20 -0.202 -18.914 -13.120 154 HZ2 LYS 20 HZ2 LYS 20 1.064 -18.995 -14.248 155 HZ3 LYS 20 HZ3 LYS 20 -0.475 -18.468 -14.734 156 H SER 21 HN SER 21 4.418 -12.371 -15.996 157 HA SER 21 HA SER 21 2.650 -11.197 -17.882 158 HB2 SER 21 HB2 SER 21 5.530 -10.403 -17.114 159 HB3 SER 21 HB1 SER 21 4.427 -9.388 -18.129 160 HG SER 21 HG SER 21 4.104 -10.215 -15.430 161 H CYS 22 HN CYS 22 5.566 -13.208 -18.103 162 HA CYS 22 HA CYS 22 6.120 -12.521 -20.806 163 HB2 CYS 22 HB2 CYS 22 7.729 -13.700 -19.111 164 HB3 CYS 22 HB1 CYS 22 6.784 -15.179 -19.467 165 H GLN 23 HN GLN 23 4.148 -14.989 -19.105 166 HA GLN 23 HA GLN 23 3.548 -16.384 -21.505 167 HB2 GLN 23 HB2 GLN 23 2.452 -16.391 -18.669 168 HB3 GLN 23 HB1 GLN 23 1.418 -17.071 -19.977 169 HG2 GLN 23 HG2 GLN 23 3.483 -18.536 -20.646 170 HG3 GLN 23 HG1 GLN 23 4.184 -18.040 -19.050 171 HE21 GLN 23 HE21 GLN 23 1.896 -20.110 -20.677 172 HE22 GLN 23 HE22 GLN 23 1.183 -20.827 -19.274 173 H MET 24 HN MET 24 2.444 -13.422 -19.960 174 HA MET 24 HA MET 24 -0.052 -13.465 -21.406 175 HB2 MET 24 HB2 MET 24 1.351 -11.283 -19.787 176 HB3 MET 24 HB1 MET 24 -0.241 -11.082 -20.582 177 HG2 MET 24 HG2 MET 24 0.356 -13.254 -18.528 178 HG3 MET 24 HG1 MET 24 -0.288 -11.648 -18.109 179 HE1 MET 24 HE1 MET 24 -2.397 -15.393 -19.154 180 HE2 MET 24 HE2 MET 24 -0.769 -15.000 -18.501 181 HE3 MET 24 HE3 MET 24 -1.043 -15.019 -20.277 182 H SER 25 HN SER 25 3.260 -12.680 -21.904 183 HA SER 25 HA SER 25 2.817 -10.575 -23.747 184 HB2 SER 25 HB2 SER 25 5.199 -12.508 -23.494 185 HB3 SER 25 HB1 SER 25 5.171 -11.041 -24.555 186 HG SER 25 HG SER 25 4.577 -10.890 -21.795 187 H ASP 26 HN ASP 26 3.387 -10.807 -26.142 188 HA ASP 26 HA ASP 26 1.876 -13.066 -27.111 189 HB2 ASP 26 HB2 ASP 26 3.148 -10.653 -28.490 190 HB3 ASP 26 HB1 ASP 26 2.331 -11.978 -29.388 191 H SER 27 HN SER 27 4.670 -13.165 -25.828 192 HA SER 27 HA SER 27 6.212 -14.028 -28.125 193 HB2 SER 27 HB2 SER 27 6.939 -13.989 -25.129 194 HB3 SER 27 HB1 SER 27 8.063 -14.456 -26.467 195 HG SER 27 HG SER 27 8.457 -12.379 -26.112 196 H CYS 28 HN CYS 28 3.830 -15.125 -26.059 197 HA CYS 28 HA CYS 28 4.923 -17.782 -25.867 198 HB2 CYS 28 HB2 CYS 28 2.801 -16.222 -24.560 199 HB3 CYS 28 HB1 CYS 28 2.165 -17.739 -25.207 200 H HIS 29 HN HIS 29 5.139 -17.928 -28.318 201 HA HIS 29 HA HIS 29 2.576 -18.003 -29.686 202 HB2 HIS 29 HB2 HIS 29 5.225 -18.873 -30.928 203 HB3 HIS 29 HB1 HIS 29 3.778 -18.174 -31.748 204 HD2 HIS 29 HD2 HIS 29 6.980 -16.983 -29.728 205 HE1 HIS 29 HE1 HIS 29 5.054 -13.641 -31.460 206 HE2 HIS 29 HE2 HIS 29 7.108 -14.470 -30.210 207 H ASP 30 HN ASP 30 5.112 -20.142 -28.346 208 HA ASP 30 HA ASP 30 3.303 -22.339 -28.965 209 HB2 ASP 30 HB2 ASP 30 5.644 -22.069 -30.429 210 HB3 ASP 30 HB1 ASP 30 6.237 -22.990 -29.003 211 H GLU 31 HN GLU 31 4.199 -24.379 -27.637 212 HA GLU 31 HA GLU 31 4.128 -23.533 -24.950 213 HB2 GLU 31 HB2 GLU 31 4.878 -26.242 -26.196 214 HB3 GLU 31 HB1 GLU 31 4.741 -25.963 -24.422 215 HG2 GLU 31 HG2 GLU 31 2.324 -25.376 -24.650 216 HG3 GLU 31 HG1 GLU 31 2.441 -25.566 -26.448 217 H GLN 32 HN GLN 32 6.719 -24.492 -27.252 218 HA GLN 32 HA GLN 32 8.745 -24.676 -25.317 219 HB2 GLN 32 HB2 GLN 32 8.979 -25.448 -27.716 220 HB3 GLN 32 HB1 GLN 32 8.989 -23.730 -28.213 221 HG2 GLN 32 HG2 GLN 32 11.065 -23.311 -26.917 222 HG3 GLN 32 HG1 GLN 32 11.047 -25.021 -26.325 223 HE21 GLN 32 HE21 GLN 32 13.303 -24.409 -27.618 224 HE22 GLN 32 HE22 GLN 32 13.337 -25.033 -29.230 225 H SER 33 HN SER 33 7.439 -21.955 -27.304 226 HA SER 33 HA SER 33 9.341 -20.093 -26.417 227 HB2 SER 33 HB2 SER 33 6.410 -19.603 -27.227 228 HB3 SER 33 HB1 SER 33 7.670 -18.320 -27.049 229 HG SER 33 HG SER 33 8.713 -19.084 -28.763 230 H CYS 34 HN CYS 34 6.139 -21.182 -25.140 231 HA CYS 34 HA CYS 34 6.119 -19.287 -23.043 232 HB2 CYS 34 HB2 CYS 34 4.804 -22.060 -23.273 233 HB3 CYS 34 HB1 CYS 34 4.530 -20.943 -21.892 234 H HIS 35 HN HIS 35 7.527 -22.558 -23.510 235 HA HIS 35 HA HIS 35 8.175 -22.955 -20.799 236 HB2 HIS 35 HB2 HIS 35 8.338 -24.827 -22.429 237 HB3 HIS 35 HB1 HIS 35 9.618 -23.932 -23.324 238 HD2 HIS 35 HD2 HIS 35 12.121 -24.710 -22.611 239 HE1 HIS 35 HE1 HIS 35 11.161 -26.207 -18.775 240 HE2 HIS 35 HE2 HIS 35 12.994 -25.889 -20.509 241 H GLN 36 HN GLN 36 9.756 -21.206 -23.514 242 HA GLN 36 HA GLN 36 12.216 -20.823 -22.240 243 HB2 GLN 36 HB2 GLN 36 10.688 -19.021 -24.176 244 HB3 GLN 36 HB1 GLN 36 12.358 -18.686 -23.631 245 HG2 GLN 36 HG2 GLN 36 11.699 -21.400 -24.865 246 HG3 GLN 36 HG1 GLN 36 11.962 -19.954 -25.920 247 HE21 GLN 36 HE21 GLN 36 13.441 -22.160 -23.551 248 HE22 GLN 36 HE22 GLN 36 15.071 -21.664 -23.806 249 H CYS 37 HN CYS 37 9.071 -19.141 -22.028 250 HA CYS 37 HA CYS 37 10.029 -16.973 -20.513 251 HB2 CYS 37 HB2 CYS 37 7.298 -18.343 -20.554 252 HB3 CYS 37 HB1 CYS 37 7.643 -16.877 -19.603 253 H HIS 38 HN HIS 38 8.933 -20.253 -19.722 254 HA HIS 38 HA HIS 38 8.980 -19.804 -16.925 255 HB2 HIS 38 HB2 HIS 38 7.707 -21.711 -18.012 256 HB3 HIS 38 HB1 HIS 38 9.299 -22.454 -18.418 257 HD2 HIS 38 HD2 HIS 38 10.809 -23.333 -16.131 258 HE1 HIS 38 HE1 HIS 38 7.418 -23.231 -13.599 259 HE2 HIS 38 HE2 HIS 38 9.820 -24.035 -13.866 260 H VAL 39 HN VAL 39 11.241 -20.971 -19.398 261 HA VAL 39 HA VAL 39 13.203 -21.783 -17.547 262 HB VAL 39 HB VAL 39 13.391 -20.812 -20.427 263 HG11 VAL 39 HG11 VAL 39 15.493 -21.812 -18.428 264 HG12 VAL 39 HG12 VAL 39 15.536 -20.338 -19.470 265 HG13 VAL 39 HG13 VAL 39 15.719 -21.975 -20.210 266 HG21 VAL 39 HG21 VAL 39 12.733 -23.349 -19.019 267 HG22 VAL 39 HG22 VAL 39 14.073 -23.533 -20.220 268 HG23 VAL 39 HG23 VAL 39 12.477 -22.876 -20.744 269 H LYS 40 HN LYS 40 12.321 -18.670 -19.123 270 HA LYS 40 HA LYS 40 14.660 -17.326 -18.267 271 HB2 LYS 40 HB2 LYS 40 11.826 -16.318 -18.893 272 HB3 LYS 40 HB1 LYS 40 13.161 -15.215 -18.405 273 HG2 LYS 40 HG2 LYS 40 14.208 -15.340 -20.436 274 HG3 LYS 40 HG1 LYS 40 13.852 -17.092 -20.637 275 HD2 LYS 40 HD2 LYS 40 11.986 -16.688 -21.870 276 HD3 LYS 40 HD1 LYS 40 11.407 -15.410 -20.750 277 HE2 LYS 40 HE2 LYS 40 12.990 -13.767 -21.821 278 HE3 LYS 40 HE1 LYS 40 13.534 -15.062 -22.968 279 HZ1 LYS 40 HZ1 LYS 40 11.503 -13.353 -23.373 280 HZ2 LYS 40 HZ2 LYS 40 10.670 -14.720 -22.806 281 HZ3 LYS 40 HZ3 LYS 40 11.698 -14.849 -24.152 282 H HIS 41 HN HIS 41 11.478 -18.084 -16.859 283 HA HIS 41 HA HIS 41 11.784 -16.469 -14.588 284 HB2 HIS 41 HB2 HIS 41 9.604 -17.476 -15.127 285 HB3 HIS 41 HB1 HIS 41 10.299 -19.112 -14.976 286 HD2 HIS 41 HD2 HIS 41 9.233 -16.087 -12.612 287 HE1 HIS 41 HE1 HIS 41 9.740 -19.591 -10.330 288 HE2 HIS 41 HE2 HIS 41 8.984 -17.169 -10.311 289 H THR 42 HN THR 42 12.718 -19.833 -15.424 290 HA THR 42 HA THR 42 13.576 -20.530 -12.875 291 HB THR 42 HB THR 42 14.580 -21.417 -15.628 292 HG1 THR 42 HG1 THR 42 12.379 -21.848 -14.916 293 HG21 THR 42 HG21 THR 42 15.257 -23.460 -13.995 294 HG22 THR 42 HG22 THR 42 15.385 -22.121 -12.796 295 HG23 THR 42 HG23 THR 42 16.364 -22.078 -14.308 296 H ASP 43 HN ASP 43 15.316 -18.977 -15.669 297 HA ASP 43 HA ASP 43 17.768 -18.862 -14.221 298 HB2 ASP 43 HB2 ASP 43 16.757 -17.288 -16.657 299 HB3 ASP 43 HB1 ASP 43 18.411 -17.083 -15.969 300 H CYS 44 HN CYS 44 14.905 -16.765 -14.550 301 HA CYS 44 HA CYS 44 16.117 -14.454 -13.447 302 HB2 CYS 44 HB2 CYS 44 13.842 -14.519 -14.701 303 HB3 CYS 44 HB1 CYS 44 13.162 -15.254 -13.214 304 H VAL 45 HN VAL 45 14.454 -17.315 -12.200 305 HA VAL 45 HA VAL 45 14.412 -16.290 -9.558 306 HB VAL 45 HB VAL 45 13.784 -18.882 -10.914 307 HG11 VAL 45 HG11 VAL 45 13.597 -19.959 -8.594 308 HG12 VAL 45 HG12 VAL 45 14.510 -18.560 -7.926 309 HG13 VAL 45 HG13 VAL 45 15.293 -19.658 -9.136 310 HG21 VAL 45 HG21 VAL 45 12.421 -16.984 -8.912 311 HG22 VAL 45 HG22 VAL 45 11.719 -18.567 -9.412 312 HG23 VAL 45 HG23 VAL 45 11.990 -17.271 -10.642 313 H ASN 46 HN ASN 46 16.488 -18.392 -11.515 314 HA ASN 46 HA ASN 46 18.046 -19.275 -9.365 315 HB2 ASN 46 HB2 ASN 46 18.501 -18.964 -12.339 316 HB3 ASN 46 HB1 ASN 46 19.861 -19.415 -11.256 317 HD21 ASN 46 HD21 ASN 46 18.288 -20.888 -13.434 318 HD22 ASN 46 HD22 ASN 46 17.824 -22.376 -12.696 319 H THR 47 HN THR 47 18.043 -16.264 -11.254 320 HA THR 47 HA THR 47 20.597 -15.563 -10.058 321 HB THR 47 HB THR 47 18.778 -13.922 -11.878 322 HG1 THR 47 HG1 THR 47 19.623 -15.723 -12.909 323 HG21 THR 47 HG21 THR 47 20.149 -12.386 -10.661 324 HG22 THR 47 HG22 THR 47 21.078 -12.682 -12.180 325 HG23 THR 47 HG23 THR 47 21.560 -13.509 -10.651 326 H GLY 48 HN GLY 48 17.145 -14.475 -10.081 327 HA2 GLY 48 HA2 GLY 48 17.704 -12.402 -8.212 328 HA3 GLY 48 HA1 GLY 48 16.086 -13.064 -8.703 329 H CYS 49 HN CYS 49 16.550 -15.844 -7.928 330 HA CYS 49 HA CYS 49 17.177 -15.636 -5.095 331 HB2 CYS 49 HB2 CYS 49 14.918 -17.079 -4.788 332 HB3 CYS 49 HB1 CYS 49 14.927 -15.299 -4.624 333 HA PRO 50 HA PRO 50 18.691 -19.343 -7.494 334 HB2 PRO 50 HB2 PRO 50 20.856 -19.448 -5.596 335 HB3 PRO 50 HB1 PRO 50 20.937 -18.862 -7.312 336 HG2 PRO 50 HG2 PRO 50 20.636 -17.284 -4.733 337 HG3 PRO 50 HG1 PRO 50 21.424 -16.811 -6.295 338 HD2 PRO 50 HD2 PRO 50 19.000 -15.809 -5.569 339 HD3 PRO 50 HD1 PRO 50 19.380 -16.189 -7.292 Start of MODEL 16 1 H1 SER 1 HT1 SER 1 6.897 -28.893 3.830 2 H2 SER 1 HT2 SER 1 8.515 -28.495 3.497 3 H3 SER 1 HT3 SER 1 7.408 -27.273 3.906 4 HA SER 1 HA SER 1 7.180 -28.887 6.007 5 HB2 SER 1 HB2 SER 1 9.234 -30.165 4.948 6 HB3 SER 1 HB1 SER 1 10.193 -28.728 5.487 7 HG SER 1 HG SER 1 9.857 -30.668 6.927 8 H SER 2 HN SER 2 9.532 -26.514 4.589 9 HA SER 2 HA SER 2 8.592 -24.599 6.521 10 HB2 SER 2 HB2 SER 2 10.526 -25.690 7.775 11 HB3 SER 2 HB1 SER 2 11.591 -25.306 6.364 12 HG SER 2 HG SER 2 11.489 -23.234 6.824 13 H THR 3 HN THR 3 8.988 -22.418 5.766 14 HA THR 3 HA THR 3 9.465 -22.380 2.951 15 HB THR 3 HB THR 3 9.236 -20.004 4.850 16 HG1 THR 3 HG1 THR 3 7.043 -20.327 3.510 17 HG21 THR 3 HG21 THR 3 8.783 -20.341 1.820 18 HG22 THR 3 HG22 THR 3 10.183 -19.514 2.598 19 HG23 THR 3 HG23 THR 3 8.526 -18.825 2.758 20 HA PRO 4 HA PRO 4 13.846 -22.081 3.146 21 HB2 PRO 4 HB2 PRO 4 13.401 -20.344 0.718 22 HB3 PRO 4 HB1 PRO 4 14.501 -21.761 0.933 23 HG2 PRO 4 HG2 PRO 4 12.196 -22.026 -0.433 24 HG3 PRO 4 HG1 PRO 4 12.757 -23.330 0.678 25 HD2 PRO 4 HD2 PRO 4 10.570 -21.250 1.082 26 HD3 PRO 4 HD1 PRO 4 10.635 -22.978 1.620 27 H ASP 5 HN ASP 5 11.988 -19.082 2.386 28 HA ASP 5 HA ASP 5 13.477 -17.752 4.418 29 HB2 ASP 5 HB2 ASP 5 14.744 -17.568 2.058 30 HB3 ASP 5 HB1 ASP 5 13.440 -16.386 1.719 31 H GLY 6 HN GLY 6 12.568 -15.209 2.769 32 HA2 GLY 6 HA2 GLY 6 9.736 -15.491 2.805 33 HA3 GLY 6 HA1 GLY 6 10.437 -14.487 4.150 34 H THR 7 HN THR 7 12.778 -13.623 2.520 35 HA THR 7 HA THR 7 11.300 -11.632 0.938 36 HB THR 7 HB THR 7 14.197 -11.688 1.937 37 HG1 THR 7 HG1 THR 7 12.883 -9.537 2.631 38 HG21 THR 7 HG21 THR 7 14.286 -10.604 -0.197 39 HG22 THR 7 HG22 THR 7 14.097 -9.247 0.979 40 HG23 THR 7 HG23 THR 7 12.675 -9.824 0.030 41 H TRP 8 HN TRP 8 13.732 -14.187 0.905 42 HA TRP 8 HA TRP 8 14.645 -13.767 -1.680 43 HB2 TRP 8 HB2 TRP 8 15.999 -15.370 -0.728 44 HB3 TRP 8 HB1 TRP 8 14.713 -15.933 0.354 45 HD1 TRP 8 HD1 TRP 8 16.383 -16.801 -2.984 46 HE1 TRP 8 HE1 TRP 8 15.356 -18.967 -3.849 47 HE3 TRP 8 HE3 TRP 8 12.523 -17.242 0.284 48 HZ2 TRP 8 HZ2 TRP 8 13.187 -20.632 -3.212 49 HZ3 TRP 8 HZ3 TRP 8 11.005 -19.148 0.098 50 HH2 TRP 8 HH2 TRP 8 11.342 -20.824 -1.645 51 H VAL 9 HN VAL 9 11.769 -15.430 -0.311 52 HA VAL 9 HA VAL 9 11.066 -16.668 -2.763 53 HB VAL 9 HB VAL 9 10.184 -17.400 -0.520 54 HG11 VAL 9 HG11 VAL 9 9.814 -14.768 -0.016 55 HG12 VAL 9 HG12 VAL 9 8.774 -16.023 0.748 56 HG13 VAL 9 HG13 VAL 9 8.181 -15.114 -0.692 57 HG21 VAL 9 HG21 VAL 9 9.146 -18.037 -2.702 58 HG22 VAL 9 HG22 VAL 9 8.118 -16.543 -2.639 59 HG23 VAL 9 HG23 VAL 9 7.911 -17.842 -1.401 60 H LYS 10 HN LYS 10 10.713 -13.415 -1.421 61 HA LYS 10 HA LYS 10 8.478 -12.684 -2.964 62 HB2 LYS 10 HB2 LYS 10 10.844 -10.985 -1.965 63 HB3 LYS 10 HB1 LYS 10 9.403 -10.296 -2.789 64 HG2 LYS 10 HG2 LYS 10 7.929 -11.197 -0.989 65 HG3 LYS 10 HG1 LYS 10 9.363 -11.893 -0.162 66 HD2 LYS 10 HD2 LYS 10 10.325 -9.598 0.105 67 HD3 LYS 10 HD1 LYS 10 8.897 -8.899 -0.731 68 HE2 LYS 10 HE2 LYS 10 7.402 -9.759 1.096 69 HE3 LYS 10 HE1 LYS 10 8.841 -10.473 1.936 70 HZ1 LYS 10 HZ1 LYS 10 9.669 -7.996 1.617 71 HZ2 LYS 10 HZ2 LYS 10 8.749 -8.502 2.952 72 HZ3 LYS 10 HZ3 LYS 10 8.000 -7.694 1.660 73 H CYS 11 HN CYS 11 11.868 -13.298 -3.687 74 HA CYS 11 HA CYS 11 11.843 -11.830 -6.124 75 HB2 CYS 11 HB2 CYS 11 14.076 -12.184 -5.453 76 HB3 CYS 11 HB1 CYS 11 13.705 -13.791 -4.790 77 H ARG 12 HN ARG 12 11.339 -15.209 -5.031 78 HA ARG 12 HA ARG 12 11.112 -16.351 -7.519 79 HB2 ARG 12 HB2 ARG 12 9.513 -16.956 -4.983 80 HB3 ARG 12 HB1 ARG 12 9.616 -18.014 -6.403 81 HG2 ARG 12 HG2 ARG 12 12.151 -17.139 -5.031 82 HG3 ARG 12 HG1 ARG 12 11.143 -18.434 -4.306 83 HD2 ARG 12 HD2 ARG 12 11.272 -19.712 -6.496 84 HD3 ARG 12 HD1 ARG 12 12.407 -18.433 -7.114 85 HE ARG 12 HE ARG 12 13.572 -19.150 -4.733 86 HH11 ARG 12 HH11 ARG 12 12.241 -20.983 -7.484 87 HH12 ARG 12 HH12 ARG 12 13.353 -22.303 -7.345 88 HH21 ARG 12 HH21 ARG 12 15.093 -20.959 -4.545 89 HH22 ARG 12 HH22 ARG 12 14.999 -22.289 -5.648 90 H HIS 13 HN HIS 13 8.750 -14.690 -5.409 91 HA HIS 13 HA HIS 13 6.606 -15.108 -7.245 92 HB2 HIS 13 HB2 HIS 13 6.008 -14.631 -4.928 93 HB3 HIS 13 HB1 HIS 13 7.005 -13.134 -4.932 94 HD2 HIS 13 HD2 HIS 13 5.627 -10.853 -5.602 95 HE1 HIS 13 HE1 HIS 13 2.164 -12.778 -7.083 96 HE2 HIS 13 HE2 HIS 13 3.242 -10.551 -6.491 97 H ASP 14 HN ASP 14 9.023 -12.495 -6.678 98 HA ASP 14 HA ASP 14 7.817 -10.587 -8.321 99 HB2 ASP 14 HB2 ASP 14 9.916 -10.261 -6.819 100 HB3 ASP 14 HB1 ASP 14 10.848 -11.013 -8.152 101 H CYS 15 HN CYS 15 10.345 -13.103 -9.145 102 HA CYS 15 HA CYS 15 10.237 -12.353 -11.901 103 HB2 CYS 15 HB2 CYS 15 11.237 -14.946 -10.564 104 HB3 CYS 15 HB1 CYS 15 11.413 -14.584 -12.308 105 H PHE 16 HN PHE 16 8.386 -14.447 -9.762 106 HA PHE 16 HA PHE 16 7.359 -16.125 -11.752 107 HB2 PHE 16 HB2 PHE 16 7.011 -16.537 -9.313 108 HB3 PHE 16 HB1 PHE 16 5.947 -15.094 -9.245 109 HD1 PHE 16 HD1 PHE 16 6.329 -18.142 -11.381 110 HD2 PHE 16 HD2 PHE 16 3.763 -15.546 -9.201 111 HE1 PHE 16 HE1 PHE 16 4.407 -19.549 -11.950 112 HE2 PHE 16 HE2 PHE 16 1.847 -16.963 -9.778 113 HZ PHE 16 HZ PHE 16 2.170 -18.962 -11.151 114 H THR 17 HN THR 17 6.199 -12.974 -10.384 115 HA THR 17 HA THR 17 3.912 -12.918 -12.039 116 HB THR 17 HB THR 17 3.907 -10.457 -11.644 117 HG1 THR 17 HG1 THR 17 6.478 -11.090 -10.697 118 HG21 THR 17 HG21 THR 17 3.073 -10.847 -9.561 119 HG22 THR 17 HG22 THR 17 4.680 -11.376 -8.939 120 HG23 THR 17 HG23 THR 17 3.610 -12.552 -9.793 121 H LYS 18 HN LYS 18 7.331 -11.870 -12.490 122 HA LYS 18 HA LYS 18 6.840 -10.567 -14.932 123 HB2 LYS 18 HB2 LYS 18 9.315 -11.834 -13.695 124 HB3 LYS 18 HB1 LYS 18 9.349 -11.280 -15.403 125 HG2 LYS 18 HG2 LYS 18 10.136 -9.668 -13.451 126 HG3 LYS 18 HG1 LYS 18 9.200 -9.028 -14.843 127 HD2 LYS 18 HD2 LYS 18 7.213 -8.823 -13.582 128 HD3 LYS 18 HD1 LYS 18 7.755 -9.999 -12.343 129 HE2 LYS 18 HE2 LYS 18 7.798 -7.679 -11.447 130 HE3 LYS 18 HE1 LYS 18 9.475 -8.350 -11.541 131 HZ1 LYS 18 HZ1 LYS 18 9.836 -6.423 -12.558 132 HZ2 LYS 18 HZ2 LYS 18 8.222 -6.197 -13.032 133 HZ3 LYS 18 HZ3 LYS 18 9.236 -7.220 -13.931 134 H TYR 19 HN TYR 19 7.211 -13.934 -13.929 135 HA TYR 19 HA TYR 19 7.679 -14.858 -16.586 136 HB2 TYR 19 HB2 TYR 19 8.415 -16.430 -15.015 137 HB3 TYR 19 HB1 TYR 19 7.038 -16.133 -13.917 138 HD1 TYR 19 HD1 TYR 19 7.932 -17.596 -17.214 139 HD2 TYR 19 HD2 TYR 19 5.250 -17.516 -13.931 140 HE1 TYR 19 HE1 TYR 19 6.796 -19.569 -18.108 141 HE2 TYR 19 HE2 TYR 19 4.114 -19.488 -14.824 142 HH TYR 19 HH TYR 19 3.783 -20.601 -17.048 143 H LYS 20 HN LYS 20 4.872 -14.746 -14.309 144 HA LYS 20 HA LYS 20 3.075 -15.930 -16.067 145 HB2 LYS 20 HB2 LYS 20 2.526 -13.668 -14.074 146 HB3 LYS 20 HB1 LYS 20 1.299 -14.755 -14.796 147 HG2 LYS 20 HG2 LYS 20 3.622 -15.692 -13.062 148 HG3 LYS 20 HG1 LYS 20 1.975 -15.368 -12.463 149 HD2 LYS 20 HD2 LYS 20 2.188 -17.220 -14.829 150 HD3 LYS 20 HD1 LYS 20 2.852 -17.836 -13.279 151 HE2 LYS 20 HE2 LYS 20 0.650 -17.389 -12.158 152 HE3 LYS 20 HE1 LYS 20 -0.018 -16.771 -13.724 153 HZ1 LYS 20 HZ1 LYS 20 0.314 -19.439 -12.809 154 HZ2 LYS 20 HZ2 LYS 20 1.102 -19.214 -14.296 155 HZ3 LYS 20 HZ3 LYS 20 -0.547 -18.839 -14.143 156 H SER 21 HN SER 21 4.310 -12.604 -15.701 157 HA SER 21 HA SER 21 2.458 -11.469 -17.522 158 HB2 SER 21 HB2 SER 21 5.343 -10.613 -16.850 159 HB3 SER 21 HB1 SER 21 4.188 -9.624 -17.830 160 HG SER 21 HG SER 21 3.951 -10.463 -15.125 161 H CYS 22 HN CYS 22 5.504 -13.301 -17.846 162 HA CYS 22 HA CYS 22 5.893 -12.642 -20.575 163 HB2 CYS 22 HB2 CYS 22 7.628 -13.719 -18.951 164 HB3 CYS 22 HB1 CYS 22 6.733 -15.246 -19.223 165 H GLN 23 HN GLN 23 4.108 -15.193 -18.786 166 HA GLN 23 HA GLN 23 3.489 -16.644 -21.149 167 HB2 GLN 23 HB2 GLN 23 2.492 -16.661 -18.278 168 HB3 GLN 23 HB1 GLN 23 1.439 -17.397 -19.539 169 HG2 GLN 23 HG2 GLN 23 3.625 -18.726 -20.265 170 HG3 GLN 23 HG1 GLN 23 4.221 -18.274 -18.618 171 HE21 GLN 23 HE21 GLN 23 2.082 -20.343 -20.450 172 HE22 GLN 23 HE22 GLN 23 1.344 -21.159 -19.115 173 H MET 24 HN MET 24 2.322 -13.689 -19.641 174 HA MET 24 HA MET 24 -0.199 -13.893 -21.042 175 HB2 MET 24 HB2 MET 24 1.063 -11.785 -19.267 176 HB3 MET 24 HB1 MET 24 -0.446 -11.493 -20.187 177 HG2 MET 24 HG2 MET 24 -1.253 -13.738 -19.070 178 HG3 MET 24 HG1 MET 24 0.059 -13.412 -17.901 179 HE1 MET 24 HE1 MET 24 -0.514 -9.876 -18.688 180 HE2 MET 24 HE2 MET 24 0.545 -10.851 -17.611 181 HE3 MET 24 HE3 MET 24 -0.671 -9.730 -16.903 182 H SER 25 HN SER 25 2.978 -13.199 -21.751 183 HA SER 25 HA SER 25 2.434 -10.941 -23.435 184 HB2 SER 25 HB2 SER 25 4.894 -12.789 -23.313 185 HB3 SER 25 HB1 SER 25 4.781 -11.283 -24.309 186 HG SER 25 HG SER 25 4.229 -11.236 -21.543 187 H ASP 26 HN ASP 26 2.980 -11.098 -25.852 188 HA ASP 26 HA ASP 26 1.535 -13.400 -26.843 189 HB2 ASP 26 HB2 ASP 26 2.628 -10.880 -28.191 190 HB3 ASP 26 HB1 ASP 26 1.843 -12.220 -29.097 191 H SER 27 HN SER 27 4.479 -13.158 -25.711 192 HA SER 27 HA SER 27 5.963 -13.916 -28.054 193 HB2 SER 27 HB2 SER 27 6.745 -13.990 -25.074 194 HB3 SER 27 HB1 SER 27 7.868 -14.343 -26.448 195 HG SER 27 HG SER 27 8.200 -12.306 -26.368 196 H CYS 28 HN CYS 28 3.717 -15.325 -25.968 197 HA CYS 28 HA CYS 28 5.017 -17.906 -25.999 198 HB2 CYS 28 HB2 CYS 28 3.554 -17.155 -24.040 199 HB3 CYS 28 HB1 CYS 28 2.163 -17.167 -25.176 200 H HIS 29 HN HIS 29 5.222 -17.983 -28.396 201 HA HIS 29 HA HIS 29 2.696 -18.085 -29.807 202 HB2 HIS 29 HB2 HIS 29 5.416 -18.877 -30.958 203 HB3 HIS 29 HB1 HIS 29 3.966 -18.273 -31.846 204 HD2 HIS 29 HD2 HIS 29 6.964 -16.860 -29.651 205 HE1 HIS 29 HE1 HIS 29 4.989 -13.677 -31.615 206 HE2 HIS 29 HE2 HIS 29 6.985 -14.355 -30.192 207 H ASP 30 HN ASP 30 5.155 -20.205 -28.350 208 HA ASP 30 HA ASP 30 3.403 -22.417 -29.050 209 HB2 ASP 30 HB2 ASP 30 5.770 -22.132 -30.465 210 HB3 ASP 30 HB1 ASP 30 6.350 -23.034 -29.021 211 H GLU 31 HN GLU 31 4.325 -24.455 -27.692 212 HA GLU 31 HA GLU 31 4.153 -23.609 -25.011 213 HB2 GLU 31 HB2 GLU 31 5.038 -26.290 -26.229 214 HB3 GLU 31 HB1 GLU 31 4.846 -26.014 -24.459 215 HG2 GLU 31 HG2 GLU 31 2.418 -25.525 -24.743 216 HG3 GLU 31 HG1 GLU 31 2.582 -25.699 -26.537 217 H GLN 32 HN GLN 32 6.842 -24.503 -27.226 218 HA GLN 32 HA GLN 32 8.819 -24.580 -25.234 219 HB2 GLN 32 HB2 GLN 32 9.138 -25.384 -27.616 220 HB3 GLN 32 HB1 GLN 32 9.116 -23.672 -28.138 221 HG2 GLN 32 HG2 GLN 32 11.142 -23.177 -26.801 222 HG3 GLN 32 HG1 GLN 32 11.148 -24.869 -26.160 223 HE21 GLN 32 HE21 GLN 32 13.430 -24.270 -27.388 224 HE22 GLN 32 HE22 GLN 32 13.529 -24.926 -28.985 225 H SER 33 HN SER 33 7.409 -21.952 -27.248 226 HA SER 33 HA SER 33 9.231 -19.993 -26.424 227 HB2 SER 33 HB2 SER 33 6.262 -19.655 -27.163 228 HB3 SER 33 HB1 SER 33 7.461 -18.310 -27.031 229 HG SER 33 HG SER 33 8.545 -19.106 -28.737 230 H CYS 34 HN CYS 34 6.119 -21.227 -25.033 231 HA CYS 34 HA CYS 34 6.124 -19.288 -22.946 232 HB2 CYS 34 HB2 CYS 34 4.528 -21.708 -23.658 233 HB3 CYS 34 HB1 CYS 34 4.793 -21.536 -21.888 234 H HIS 35 HN HIS 35 7.646 -22.467 -23.516 235 HA HIS 35 HA HIS 35 8.288 -22.940 -20.802 236 HB2 HIS 35 HB2 HIS 35 8.504 -24.770 -22.474 237 HB3 HIS 35 HB1 HIS 35 9.746 -23.813 -23.358 238 HD2 HIS 35 HD2 HIS 35 12.280 -24.521 -22.682 239 HE1 HIS 35 HE1 HIS 35 11.405 -26.126 -18.869 240 HE2 HIS 35 HE2 HIS 35 13.211 -25.711 -20.611 241 H GLN 36 HN GLN 36 9.784 -21.075 -23.477 242 HA GLN 36 HA GLN 36 12.241 -20.640 -22.220 243 HB2 GLN 36 HB2 GLN 36 10.629 -18.850 -24.094 244 HB3 GLN 36 HB1 GLN 36 12.291 -18.467 -23.558 245 HG2 GLN 36 HG2 GLN 36 11.696 -21.166 -24.866 246 HG3 GLN 36 HG1 GLN 36 11.942 -19.682 -25.871 247 HE21 GLN 36 HE21 GLN 36 13.450 -21.985 -23.636 248 HE22 GLN 36 HE22 GLN 36 15.071 -21.437 -23.841 249 H CYS 37 HN CYS 37 9.036 -19.106 -21.912 250 HA CYS 37 HA CYS 37 9.918 -16.924 -20.382 251 HB2 CYS 37 HB2 CYS 37 7.264 -18.436 -20.367 252 HB3 CYS 37 HB1 CYS 37 7.558 -16.959 -19.413 253 H HIS 38 HN HIS 38 9.006 -20.265 -19.621 254 HA HIS 38 HA HIS 38 9.118 -19.857 -16.819 255 HB2 HIS 38 HB2 HIS 38 7.885 -21.794 -17.900 256 HB3 HIS 38 HB1 HIS 38 9.491 -22.468 -18.366 257 HD2 HIS 38 HD2 HIS 38 11.102 -23.323 -16.138 258 HE1 HIS 38 HE1 HIS 38 7.785 -23.402 -13.509 259 HE2 HIS 38 HE2 HIS 38 10.208 -24.104 -13.859 260 H VAL 39 HN VAL 39 11.344 -20.902 -19.378 261 HA VAL 39 HA VAL 39 13.391 -21.670 -17.600 262 HB VAL 39 HB VAL 39 13.453 -20.645 -20.468 263 HG11 VAL 39 HG11 VAL 39 15.654 -21.593 -18.550 264 HG12 VAL 39 HG12 VAL 39 15.610 -20.106 -19.571 265 HG13 VAL 39 HG13 VAL 39 15.831 -21.724 -20.340 266 HG21 VAL 39 HG21 VAL 39 14.237 -23.334 -20.346 267 HG22 VAL 39 HG22 VAL 39 12.591 -22.735 -20.776 268 HG23 VAL 39 HG23 VAL 39 12.957 -23.235 -19.076 269 H LYS 40 HN LYS 40 12.363 -18.560 -19.105 270 HA LYS 40 HA LYS 40 14.682 -17.158 -18.278 271 HB2 LYS 40 HB2 LYS 40 11.808 -16.212 -18.804 272 HB3 LYS 40 HB1 LYS 40 13.145 -15.089 -18.372 273 HG2 LYS 40 HG2 LYS 40 14.159 -15.252 -20.430 274 HG3 LYS 40 HG1 LYS 40 13.706 -16.979 -20.647 275 HD2 LYS 40 HD2 LYS 40 12.097 -16.297 -22.069 276 HD3 LYS 40 HD1 LYS 40 11.234 -15.589 -20.664 277 HE2 LYS 40 HE2 LYS 40 12.347 -13.406 -21.021 278 HE3 LYS 40 HE1 LYS 40 13.351 -14.103 -22.358 279 HZ1 LYS 40 HZ1 LYS 40 10.387 -14.159 -22.401 280 HZ2 LYS 40 HZ2 LYS 40 11.482 -14.364 -23.683 281 HZ3 LYS 40 HZ3 LYS 40 11.285 -12.835 -22.972 282 H HIS 41 HN HIS 41 11.558 -18.032 -16.807 283 HA HIS 41 HA HIS 41 11.866 -16.433 -14.527 284 HB2 HIS 41 HB2 HIS 41 9.708 -17.505 -15.017 285 HB3 HIS 41 HB1 HIS 41 10.460 -19.121 -14.909 286 HD2 HIS 41 HD2 HIS 41 9.360 -16.166 -12.471 287 HE1 HIS 41 HE1 HIS 41 10.054 -19.679 -10.255 288 HE2 HIS 41 HE2 HIS 41 9.215 -17.286 -10.179 289 H THR 42 HN THR 42 12.900 -19.750 -15.430 290 HA THR 42 HA THR 42 13.847 -20.447 -12.912 291 HB THR 42 HB THR 42 14.805 -21.262 -15.705 292 HG1 THR 42 HG1 THR 42 12.648 -21.791 -14.936 293 HG21 THR 42 HG21 THR 42 15.717 -21.979 -12.907 294 HG22 THR 42 HG22 THR 42 16.655 -21.854 -14.439 295 HG23 THR 42 HG23 THR 42 15.620 -23.294 -14.132 296 H ASP 43 HN ASP 43 15.457 -18.790 -15.729 297 HA ASP 43 HA ASP 43 17.940 -18.601 -14.339 298 HB2 ASP 43 HB2 ASP 43 16.811 -17.044 -16.733 299 HB3 ASP 43 HB1 ASP 43 18.469 -16.776 -16.080 300 H CYS 44 HN CYS 44 14.991 -16.614 -14.571 301 HA CYS 44 HA CYS 44 16.138 -14.269 -13.476 302 HB2 CYS 44 HB2 CYS 44 13.831 -14.421 -14.667 303 HB3 CYS 44 HB1 CYS 44 13.226 -15.187 -13.163 304 H VAL 45 HN VAL 45 14.641 -17.211 -12.216 305 HA VAL 45 HA VAL 45 14.633 -16.211 -9.562 306 HB VAL 45 HB VAL 45 14.056 -18.805 -10.933 307 HG11 VAL 45 HG11 VAL 45 15.655 -19.554 -9.224 308 HG12 VAL 45 HG12 VAL 45 13.990 -19.927 -8.628 309 HG13 VAL 45 HG13 VAL 45 14.879 -18.506 -7.970 310 HG21 VAL 45 HG21 VAL 45 12.697 -16.987 -8.855 311 HG22 VAL 45 HG22 VAL 45 12.037 -18.590 -9.350 312 HG23 VAL 45 HG23 VAL 45 12.213 -17.269 -10.571 313 H ASN 46 HN ASN 46 16.728 -18.212 -11.609 314 HA ASN 46 HA ASN 46 18.385 -19.077 -9.529 315 HB2 ASN 46 HB2 ASN 46 18.738 -18.676 -12.505 316 HB3 ASN 46 HB1 ASN 46 20.150 -19.090 -11.477 317 HD21 ASN 46 HD21 ASN 46 18.559 -20.578 -13.640 318 HD22 ASN 46 HD22 ASN 46 18.192 -22.104 -12.924 319 H THR 47 HN THR 47 18.231 -16.018 -11.346 320 HA THR 47 HA THR 47 20.775 -15.258 -10.144 321 HB THR 47 HB THR 47 18.943 -13.683 -12.010 322 HG1 THR 47 HG1 THR 47 19.866 -15.443 -13.023 323 HG21 THR 47 HG21 THR 47 20.235 -12.104 -10.747 324 HG22 THR 47 HG22 THR 47 21.179 -12.347 -12.267 325 HG23 THR 47 HG23 THR 47 21.692 -13.167 -10.744 326 H GLY 48 HN GLY 48 17.284 -14.331 -10.178 327 HA2 GLY 48 HA2 GLY 48 17.735 -12.193 -8.358 328 HA3 GLY 48 HA1 GLY 48 16.155 -12.963 -8.813 329 H CYS 49 HN CYS 49 16.790 -15.690 -8.000 330 HA CYS 49 HA CYS 49 17.472 -15.413 -5.191 331 HB2 CYS 49 HB2 CYS 49 15.272 -16.929 -4.805 332 HB3 CYS 49 HB1 CYS 49 15.231 -15.150 -4.649 333 HA PRO 50 HA PRO 50 19.059 -19.079 -7.618 334 HB2 PRO 50 HB2 PRO 50 21.219 -19.101 -5.685 335 HB3 PRO 50 HB1 PRO 50 21.301 -18.589 -7.425 336 HG2 PRO 50 HG2 PRO 50 20.992 -16.906 -4.923 337 HG3 PRO 50 HG1 PRO 50 21.716 -16.473 -6.526 338 HD2 PRO 50 HD2 PRO 50 19.278 -15.526 -5.752 339 HD3 PRO 50 HD1 PRO 50 19.627 -15.938 -7.474 Start of MODEL 17 1 H1 SER 1 HT1 SER 1 9.446 -30.217 5.417 2 H2 SER 1 HT2 SER 1 9.787 -29.225 6.753 3 H3 SER 1 HT3 SER 1 10.284 -28.755 5.197 4 HA SER 1 HA SER 1 8.075 -28.435 4.487 5 HB2 SER 1 HB2 SER 1 7.156 -30.374 5.943 6 HB3 SER 1 HB1 SER 1 7.165 -29.202 7.321 7 HG SER 1 HG SER 1 5.652 -28.031 6.356 8 H SER 2 HN SER 2 9.539 -26.429 4.657 9 HA SER 2 HA SER 2 8.215 -24.610 6.439 10 HB2 SER 2 HB2 SER 2 10.286 -23.698 7.486 11 HB3 SER 2 HB1 SER 2 10.136 -25.452 7.908 12 HG SER 2 HG SER 2 11.400 -25.085 5.538 13 H THR 3 HN THR 3 8.885 -22.299 5.877 14 HA THR 3 HA THR 3 9.294 -22.238 3.041 15 HB THR 3 HB THR 3 9.146 -19.887 4.973 16 HG1 THR 3 HG1 THR 3 6.932 -20.120 3.660 17 HG21 THR 3 HG21 THR 3 10.085 -19.387 2.724 18 HG22 THR 3 HG22 THR 3 8.445 -18.662 2.903 19 HG23 THR 3 HG23 THR 3 8.664 -20.174 1.944 20 HA PRO 4 HA PRO 4 13.684 -22.072 3.232 21 HB2 PRO 4 HB2 PRO 4 13.280 -20.329 0.802 22 HB3 PRO 4 HB1 PRO 4 14.341 -21.775 1.016 23 HG2 PRO 4 HG2 PRO 4 12.027 -21.980 -0.342 24 HG3 PRO 4 HG1 PRO 4 12.552 -23.294 0.770 25 HD2 PRO 4 HD2 PRO 4 10.428 -21.150 1.175 26 HD3 PRO 4 HD1 PRO 4 10.442 -22.878 1.712 27 H ASP 5 HN ASP 5 11.901 -19.026 2.475 28 HA ASP 5 HA ASP 5 13.438 -17.732 4.496 29 HB2 ASP 5 HB2 ASP 5 14.740 -17.562 2.196 30 HB3 ASP 5 HB1 ASP 5 13.418 -16.435 1.753 31 H GLY 6 HN GLY 6 12.549 -15.207 2.728 32 HA2 GLY 6 HA2 GLY 6 9.724 -15.402 2.846 33 HA3 GLY 6 HA1 GLY 6 10.466 -14.402 4.174 34 H THR 7 HN THR 7 12.807 -13.609 2.521 35 HA THR 7 HA THR 7 11.365 -11.608 0.922 36 HB THR 7 HB THR 7 14.258 -11.710 1.916 37 HG1 THR 7 HG1 THR 7 13.130 -9.540 2.652 38 HG21 THR 7 HG21 THR 7 12.777 -9.850 -0.025 39 HG22 THR 7 HG22 THR 7 14.380 -10.654 -0.226 40 HG23 THR 7 HG23 THR 7 14.200 -9.275 0.924 41 H TRP 8 HN TRP 8 13.752 -14.205 0.916 42 HA TRP 8 HA TRP 8 14.659 -13.833 -1.680 43 HB2 TRP 8 HB2 TRP 8 15.990 -15.445 -0.701 44 HB3 TRP 8 HB1 TRP 8 14.689 -15.985 0.377 45 HD1 TRP 8 HD1 TRP 8 16.367 -16.894 -2.947 46 HE1 TRP 8 HE1 TRP 8 15.311 -19.046 -3.808 47 HE3 TRP 8 HE3 TRP 8 12.480 -17.255 0.298 48 HZ2 TRP 8 HZ2 TRP 8 13.108 -20.672 -3.177 49 HZ3 TRP 8 HZ3 TRP 8 10.931 -19.135 0.110 50 HH2 TRP 8 HH2 TRP 8 11.250 -20.824 -1.622 51 H VAL 9 HN VAL 9 11.758 -15.441 -0.287 52 HA VAL 9 HA VAL 9 11.029 -16.693 -2.728 53 HB VAL 9 HB VAL 9 10.136 -17.399 -0.484 54 HG11 VAL 9 HG11 VAL 9 8.193 -15.059 -0.652 55 HG12 VAL 9 HG12 VAL 9 9.833 -14.765 0.032 56 HG13 VAL 9 HG13 VAL 9 8.751 -15.992 0.786 57 HG21 VAL 9 HG21 VAL 9 8.074 -16.502 -2.590 58 HG22 VAL 9 HG22 VAL 9 7.848 -17.798 -1.348 59 HG23 VAL 9 HG23 VAL 9 9.070 -18.012 -2.661 60 H LYS 10 HN LYS 10 10.707 -13.427 -1.401 61 HA LYS 10 HA LYS 10 8.489 -12.682 -2.963 62 HB2 LYS 10 HB2 LYS 10 10.858 -11.021 -1.914 63 HB3 LYS 10 HB1 LYS 10 9.471 -10.300 -2.802 64 HG2 LYS 10 HG2 LYS 10 7.896 -11.024 -1.070 65 HG3 LYS 10 HG1 LYS 10 9.185 -11.940 -0.219 66 HD2 LYS 10 HD2 LYS 10 8.847 -9.855 0.975 67 HD3 LYS 10 HD1 LYS 10 10.432 -9.753 0.132 68 HE2 LYS 10 HE2 LYS 10 9.418 -8.358 -1.669 69 HE3 LYS 10 HE1 LYS 10 7.784 -8.518 -0.897 70 HZ1 LYS 10 HZ1 LYS 10 8.318 -6.746 0.247 71 HZ2 LYS 10 HZ2 LYS 10 9.931 -6.761 -0.285 72 HZ3 LYS 10 HZ3 LYS 10 9.480 -7.654 1.088 73 H CYS 11 HN CYS 11 11.877 -13.333 -3.665 74 HA CYS 11 HA CYS 11 11.887 -11.865 -6.102 75 HB2 CYS 11 HB2 CYS 11 14.111 -12.253 -5.420 76 HB3 CYS 11 HB1 CYS 11 13.713 -13.856 -4.759 77 H ARG 12 HN ARG 12 11.335 -15.243 -5.018 78 HA ARG 12 HA ARG 12 11.102 -16.375 -7.510 79 HB2 ARG 12 HB2 ARG 12 9.483 -16.967 -4.982 80 HB3 ARG 12 HB1 ARG 12 9.583 -18.022 -6.403 81 HG2 ARG 12 HG2 ARG 12 12.119 -17.178 -5.015 82 HG3 ARG 12 HG1 ARG 12 11.092 -18.465 -4.300 83 HD2 ARG 12 HD2 ARG 12 11.221 -19.737 -6.494 84 HD3 ARG 12 HD1 ARG 12 12.374 -18.470 -7.099 85 HE ARG 12 HE ARG 12 13.513 -19.211 -4.711 86 HH11 ARG 12 HH11 ARG 12 12.188 -21.013 -7.483 87 HH12 ARG 12 HH12 ARG 12 13.286 -22.345 -7.343 88 HH21 ARG 12 HH21 ARG 12 15.012 -21.035 -4.520 89 HH22 ARG 12 HH22 ARG 12 14.916 -22.358 -5.633 90 H HIS 13 HN HIS 13 8.754 -14.687 -5.404 91 HA HIS 13 HA HIS 13 6.608 -15.074 -7.243 92 HB2 HIS 13 HB2 HIS 13 6.015 -14.586 -4.926 93 HB3 HIS 13 HB1 HIS 13 7.032 -13.102 -4.930 94 HD2 HIS 13 HD2 HIS 13 5.682 -10.804 -5.606 95 HE1 HIS 13 HE1 HIS 13 2.196 -12.685 -7.089 96 HE2 HIS 13 HE2 HIS 13 3.302 -10.472 -6.498 97 H ASP 14 HN ASP 14 9.057 -12.490 -6.670 98 HA ASP 14 HA ASP 14 7.879 -10.568 -8.318 99 HB2 ASP 14 HB2 ASP 14 9.974 -10.263 -6.809 100 HB3 ASP 14 HB1 ASP 14 10.903 -11.031 -8.135 101 H CYS 15 HN CYS 15 10.373 -13.117 -9.127 102 HA CYS 15 HA CYS 15 10.292 -12.370 -11.882 103 HB2 CYS 15 HB2 CYS 15 11.244 -14.976 -10.540 104 HB3 CYS 15 HB1 CYS 15 11.442 -14.611 -12.282 105 H PHE 16 HN PHE 16 8.400 -14.436 -9.753 106 HA PHE 16 HA PHE 16 7.360 -16.098 -11.748 107 HB2 PHE 16 HB2 PHE 16 6.991 -16.508 -9.313 108 HB3 PHE 16 HB1 PHE 16 5.948 -15.049 -9.251 109 HD1 PHE 16 HD1 PHE 16 6.294 -18.096 -11.396 110 HD2 PHE 16 HD2 PHE 16 3.758 -15.473 -9.213 111 HE1 PHE 16 HE1 PHE 16 4.354 -19.471 -11.980 112 HE2 PHE 16 HE2 PHE 16 1.824 -16.859 -9.806 113 HZ PHE 16 HZ PHE 16 2.121 -18.855 -11.187 114 H THR 17 HN THR 17 6.237 -12.932 -10.386 115 HA THR 17 HA THR 17 3.965 -12.840 -12.057 116 HB THR 17 HB THR 17 3.991 -10.382 -11.659 117 HG1 THR 17 HG1 THR 17 6.549 -11.047 -10.699 118 HG21 THR 17 HG21 THR 17 4.754 -11.341 -8.957 119 HG22 THR 17 HG22 THR 17 3.634 -12.463 -9.819 120 HG23 THR 17 HG23 THR 17 3.167 -10.739 -9.562 121 H LYS 18 HN LYS 18 7.402 -11.836 -12.482 122 HA LYS 18 HA LYS 18 6.955 -10.528 -14.926 123 HB2 LYS 18 HB2 LYS 18 9.395 -11.848 -13.674 124 HB3 LYS 18 HB1 LYS 18 9.452 -11.297 -15.383 125 HG2 LYS 18 HG2 LYS 18 10.259 -9.699 -13.426 126 HG3 LYS 18 HG1 LYS 18 9.350 -9.043 -14.828 127 HD2 LYS 18 HD2 LYS 18 7.358 -8.783 -13.585 128 HD3 LYS 18 HD1 LYS 18 7.856 -9.976 -12.343 129 HE2 LYS 18 HE2 LYS 18 7.948 -7.656 -11.445 130 HE3 LYS 18 HE1 LYS 18 9.608 -8.372 -11.517 131 HZ1 LYS 18 HZ1 LYS 18 10.132 -6.577 -12.639 132 HZ2 LYS 18 HZ2 LYS 18 8.517 -6.105 -12.869 133 HZ3 LYS 18 HZ3 LYS 18 9.246 -7.192 -13.949 134 H TYR 19 HN TYR 19 7.288 -13.907 -13.928 135 HA TYR 19 HA TYR 19 7.738 -14.835 -16.583 136 HB2 TYR 19 HB2 TYR 19 8.431 -16.419 -15.003 137 HB3 TYR 19 HB1 TYR 19 7.043 -16.105 -13.924 138 HD1 TYR 19 HD1 TYR 19 7.952 -17.558 -17.223 139 HD2 TYR 19 HD2 TYR 19 5.242 -17.466 -13.962 140 HE1 TYR 19 HE1 TYR 19 6.797 -19.508 -18.144 141 HE2 TYR 19 HE2 TYR 19 4.086 -19.415 -14.879 142 HH TYR 19 HH TYR 19 5.074 -21.492 -16.676 143 H LYS 20 HN LYS 20 4.918 -14.689 -14.321 144 HA LYS 20 HA LYS 20 3.110 -15.826 -16.094 145 HB2 LYS 20 HB2 LYS 20 2.590 -13.556 -14.102 146 HB3 LYS 20 HB1 LYS 20 1.349 -14.621 -14.835 147 HG2 LYS 20 HG2 LYS 20 3.643 -15.603 -13.088 148 HG3 LYS 20 HG1 LYS 20 2.002 -15.246 -12.496 149 HD2 LYS 20 HD2 LYS 20 2.197 -17.106 -14.860 150 HD3 LYS 20 HD1 LYS 20 2.825 -17.731 -13.297 151 HE2 LYS 20 HE2 LYS 20 0.603 -17.168 -12.218 152 HE3 LYS 20 HE1 LYS 20 -0.017 -16.641 -13.836 153 HZ1 LYS 20 HZ1 LYS 20 1.219 -19.230 -13.874 154 HZ2 LYS 20 HZ2 LYS 20 -0.299 -18.724 -14.441 155 HZ3 LYS 20 HZ3 LYS 20 -0.099 -19.146 -12.808 156 H SER 21 HN SER 21 4.416 -12.530 -15.721 157 HA SER 21 HA SER 21 2.605 -11.335 -17.536 158 HB2 SER 21 HB2 SER 21 4.150 -9.954 -16.061 159 HB3 SER 21 HB1 SER 21 5.551 -10.566 -17.026 160 HG SER 21 HG SER 21 4.053 -9.725 -18.846 161 H CYS 22 HN CYS 22 5.670 -13.175 -17.887 162 HA CYS 22 HA CYS 22 5.980 -12.604 -20.641 163 HB2 CYS 22 HB2 CYS 22 7.739 -13.653 -19.011 164 HB3 CYS 22 HB1 CYS 22 6.843 -15.185 -19.260 165 H GLN 23 HN GLN 23 4.198 -15.058 -18.744 166 HA GLN 23 HA GLN 23 3.546 -16.628 -21.012 167 HB2 GLN 23 HB2 GLN 23 2.204 -16.363 -18.257 168 HB3 GLN 23 HB1 GLN 23 1.645 -17.516 -19.518 169 HG2 GLN 23 HG2 GLN 23 4.514 -17.500 -18.369 170 HG3 GLN 23 HG1 GLN 23 3.173 -18.556 -17.764 171 HE21 GLN 23 HE21 GLN 23 1.997 -19.891 -19.475 172 HE22 GLN 23 HE22 GLN 23 2.945 -20.569 -20.753 173 H MET 24 HN MET 24 2.462 -13.542 -19.739 174 HA MET 24 HA MET 24 -0.075 -13.787 -21.107 175 HB2 MET 24 HB2 MET 24 1.236 -11.596 -19.476 176 HB3 MET 24 HB1 MET 24 -0.272 -11.336 -20.406 177 HG2 MET 24 HG2 MET 24 -1.115 -13.487 -19.145 178 HG3 MET 24 HG1 MET 24 0.211 -13.115 -18.007 179 HE1 MET 24 HE1 MET 24 -0.446 -9.355 -17.252 180 HE2 MET 24 HE2 MET 24 -0.314 -9.623 -19.024 181 HE3 MET 24 HE3 MET 24 0.746 -10.540 -17.896 182 H SER 25 HN SER 25 3.099 -13.257 -21.934 183 HA SER 25 HA SER 25 2.688 -11.013 -23.649 184 HB2 SER 25 HB2 SER 25 4.912 -11.433 -24.575 185 HB3 SER 25 HB1 SER 25 5.026 -11.781 -22.801 186 HG SER 25 HG SER 25 4.911 -13.923 -23.210 187 H ASP 26 HN ASP 26 3.066 -11.255 -26.108 188 HA ASP 26 HA ASP 26 1.196 -13.275 -26.970 189 HB2 ASP 26 HB2 ASP 26 2.682 -11.033 -28.435 190 HB3 ASP 26 HB1 ASP 26 1.614 -12.217 -29.272 191 H SER 27 HN SER 27 4.391 -13.278 -26.148 192 HA SER 27 HA SER 27 5.305 -14.681 -28.514 193 HB2 SER 27 HB2 SER 27 6.703 -14.173 -25.813 194 HB3 SER 27 HB1 SER 27 7.474 -14.962 -27.247 195 HG SER 27 HG SER 27 8.012 -12.934 -27.500 196 H CYS 28 HN CYS 28 3.456 -15.284 -25.752 197 HA CYS 28 HA CYS 28 4.514 -17.950 -25.365 198 HB2 CYS 28 HB2 CYS 28 3.525 -16.464 -23.457 199 HB3 CYS 28 HB1 CYS 28 1.931 -16.763 -24.223 200 H HIS 29 HN HIS 29 4.093 -18.179 -27.864 201 HA HIS 29 HA HIS 29 1.296 -19.021 -28.175 202 HB2 HIS 29 HB2 HIS 29 1.681 -18.824 -30.659 203 HB3 HIS 29 HB1 HIS 29 1.857 -17.243 -29.824 204 HD2 HIS 29 HD2 HIS 29 4.547 -16.246 -29.700 205 HE1 HIS 29 HE1 HIS 29 6.037 -19.087 -32.445 206 HE2 HIS 29 HE2 HIS 29 6.513 -16.929 -31.189 207 H ASP 30 HN ASP 30 4.748 -19.788 -28.393 208 HA ASP 30 HA ASP 30 4.004 -22.459 -29.287 209 HB2 ASP 30 HB2 ASP 30 6.648 -20.916 -29.315 210 HB3 ASP 30 HB1 ASP 30 6.635 -22.714 -29.388 211 H GLU 31 HN GLU 31 4.772 -24.283 -28.047 212 HA GLU 31 HA GLU 31 4.604 -23.807 -25.289 213 HB2 GLU 31 HB2 GLU 31 5.641 -26.245 -26.846 214 HB3 GLU 31 HB1 GLU 31 5.459 -26.213 -25.053 215 HG2 GLU 31 HG2 GLU 31 3.000 -25.851 -25.257 216 HG3 GLU 31 HG1 GLU 31 3.148 -25.777 -27.060 217 H GLN 32 HN GLN 32 7.336 -24.264 -27.594 218 HA GLN 32 HA GLN 32 9.296 -24.410 -25.569 219 HB2 GLN 32 HB2 GLN 32 9.674 -25.084 -27.981 220 HB3 GLN 32 HB1 GLN 32 9.593 -23.350 -28.418 221 HG2 GLN 32 HG2 GLN 32 11.580 -22.846 -27.021 222 HG3 GLN 32 HG1 GLN 32 11.648 -24.572 -26.479 223 HE21 GLN 32 HE21 GLN 32 13.914 -23.782 -27.650 224 HE22 GLN 32 HE22 GLN 32 14.058 -24.350 -29.277 225 H SER 33 HN SER 33 7.901 -21.716 -27.547 226 HA SER 33 HA SER 33 9.633 -19.760 -26.515 227 HB2 SER 33 HB2 SER 33 6.730 -19.461 -27.506 228 HB3 SER 33 HB1 SER 33 7.843 -18.075 -27.161 229 HG SER 33 HG SER 33 8.615 -18.364 -29.036 230 H CYS 34 HN CYS 34 6.429 -21.044 -25.431 231 HA CYS 34 HA CYS 34 6.231 -19.198 -23.292 232 HB2 CYS 34 HB2 CYS 34 5.045 -22.021 -23.616 233 HB3 CYS 34 HB1 CYS 34 4.622 -20.893 -22.281 234 H HIS 35 HN HIS 35 7.780 -22.414 -23.762 235 HA HIS 35 HA HIS 35 8.301 -22.866 -21.027 236 HB2 HIS 35 HB2 HIS 35 8.619 -24.691 -22.682 237 HB3 HIS 35 HB1 HIS 35 9.897 -23.726 -23.503 238 HD2 HIS 35 HD2 HIS 35 12.400 -24.430 -22.709 239 HE1 HIS 35 HE1 HIS 35 11.351 -26.051 -18.947 240 HE2 HIS 35 HE2 HIS 35 13.234 -25.627 -20.601 241 H GLN 36 HN GLN 36 9.938 -20.967 -23.593 242 HA GLN 36 HA GLN 36 12.332 -20.556 -22.214 243 HB2 GLN 36 HB2 GLN 36 10.809 -18.739 -24.133 244 HB3 GLN 36 HB1 GLN 36 12.434 -18.347 -23.498 245 HG2 GLN 36 HG2 GLN 36 11.933 -21.023 -24.889 246 HG3 GLN 36 HG1 GLN 36 12.238 -19.517 -25.845 247 HE21 GLN 36 HE21 GLN 36 13.624 -21.934 -23.688 248 HE22 GLN 36 HE22 GLN 36 15.247 -21.356 -23.735 249 H CYS 37 HN CYS 37 9.113 -19.033 -21.984 250 HA CYS 37 HA CYS 37 9.938 -16.859 -20.405 251 HB2 CYS 37 HB2 CYS 37 7.298 -18.397 -20.466 252 HB3 CYS 37 HB1 CYS 37 7.557 -16.933 -19.485 253 H HIS 38 HN HIS 38 9.036 -20.216 -19.695 254 HA HIS 38 HA HIS 38 9.095 -19.827 -16.888 255 HB2 HIS 38 HB2 HIS 38 7.877 -21.752 -18.001 256 HB3 HIS 38 HB1 HIS 38 9.489 -22.427 -18.446 257 HD2 HIS 38 HD2 HIS 38 11.065 -23.295 -16.196 258 HE1 HIS 38 HE1 HIS 38 7.704 -23.388 -13.623 259 HE2 HIS 38 HE2 HIS 38 10.133 -24.089 -13.936 260 H VAL 39 HN VAL 39 11.364 -20.860 -19.418 261 HA VAL 39 HA VAL 39 13.380 -21.642 -17.612 262 HB VAL 39 HB VAL 39 13.498 -20.591 -20.467 263 HG11 VAL 39 HG11 VAL 39 15.638 -20.070 -19.531 264 HG12 VAL 39 HG12 VAL 39 15.868 -21.685 -20.304 265 HG13 VAL 39 HG13 VAL 39 15.658 -21.561 -18.517 266 HG21 VAL 39 HG21 VAL 39 14.266 -23.279 -20.371 267 HG22 VAL 39 HG22 VAL 39 12.624 -22.672 -20.807 268 HG23 VAL 39 HG23 VAL 39 12.976 -23.196 -19.110 269 H LYS 40 HN LYS 40 12.371 -18.523 -19.095 270 HA LYS 40 HA LYS 40 14.678 -17.121 -18.246 271 HB2 LYS 40 HB2 LYS 40 11.801 -16.202 -18.801 272 HB3 LYS 40 HB1 LYS 40 13.099 -15.062 -18.296 273 HG2 LYS 40 HG2 LYS 40 14.122 -15.087 -20.342 274 HG3 LYS 40 HG1 LYS 40 13.838 -16.845 -20.587 275 HD2 LYS 40 HD2 LYS 40 11.937 -16.489 -21.782 276 HD3 LYS 40 HD1 LYS 40 11.327 -15.257 -20.629 277 HE2 LYS 40 HE2 LYS 40 12.813 -13.531 -21.685 278 HE3 LYS 40 HE1 LYS 40 13.423 -14.778 -22.850 279 HZ1 LYS 40 HZ1 LYS 40 11.350 -13.172 -23.288 280 HZ2 LYS 40 HZ2 LYS 40 10.536 -14.523 -22.658 281 HZ3 LYS 40 HZ3 LYS 40 11.548 -14.695 -24.012 282 H HIS 41 HN HIS 41 11.551 -18.016 -16.792 283 HA HIS 41 HA HIS 41 11.858 -16.443 -14.494 284 HB2 HIS 41 HB2 HIS 41 9.698 -17.508 -15.009 285 HB3 HIS 41 HB1 HIS 41 10.448 -19.125 -14.901 286 HD2 HIS 41 HD2 HIS 41 9.355 -16.169 -12.458 287 HE1 HIS 41 HE1 HIS 41 10.004 -19.699 -10.254 288 HE2 HIS 41 HE2 HIS 41 9.187 -17.297 -10.172 289 H THR 42 HN THR 42 12.871 -19.759 -15.424 290 HA THR 42 HA THR 42 13.806 -20.480 -12.909 291 HB THR 42 HB THR 42 14.776 -21.285 -15.700 292 HG1 THR 42 HG1 THR 42 12.597 -21.783 -14.942 293 HG21 THR 42 HG21 THR 42 15.641 -22.033 -12.897 294 HG22 THR 42 HG22 THR 42 16.600 -21.920 -14.418 295 HG23 THR 42 HG23 THR 42 15.534 -23.342 -14.127 296 H ASP 43 HN ASP 43 15.439 -18.826 -15.714 297 HA ASP 43 HA ASP 43 17.923 -18.667 -14.320 298 HB2 ASP 43 HB2 ASP 43 16.809 -17.079 -16.702 299 HB3 ASP 43 HB1 ASP 43 18.472 -16.836 -16.048 300 H CYS 44 HN CYS 44 14.995 -16.650 -14.541 301 HA CYS 44 HA CYS 44 16.166 -14.326 -13.426 302 HB2 CYS 44 HB2 CYS 44 13.865 -14.438 -14.628 303 HB3 CYS 44 HB1 CYS 44 13.243 -15.214 -13.136 304 H VAL 45 HN VAL 45 14.628 -17.258 -12.196 305 HA VAL 45 HA VAL 45 14.621 -16.280 -9.535 306 HB VAL 45 HB VAL 45 14.033 -18.864 -10.924 307 HG11 VAL 45 HG11 VAL 45 15.613 -19.626 -9.203 308 HG12 VAL 45 HG12 VAL 45 13.940 -19.993 -8.625 309 HG13 VAL 45 HG13 VAL 45 14.829 -18.579 -7.953 310 HG21 VAL 45 HG21 VAL 45 12.669 -17.033 -8.860 311 HG22 VAL 45 HG22 VAL 45 12.002 -18.637 -9.347 312 HG23 VAL 45 HG23 VAL 45 12.193 -17.326 -10.576 313 H ASN 46 HN ASN 46 16.704 -18.293 -11.583 314 HA ASN 46 HA ASN 46 18.344 -19.176 -9.498 315 HB2 ASN 46 HB2 ASN 46 18.719 -18.770 -12.470 316 HB3 ASN 46 HB1 ASN 46 20.112 -19.220 -11.433 317 HD21 ASN 46 HD21 ASN 46 18.533 -20.667 -13.619 318 HD22 ASN 46 HD22 ASN 46 18.118 -22.186 -12.916 319 H THR 47 HN THR 47 18.217 -16.116 -11.313 320 HA THR 47 HA THR 47 20.773 -15.377 -10.126 321 HB THR 47 HB THR 47 18.934 -13.782 -11.967 322 HG1 THR 47 HG1 THR 47 19.827 -15.528 -13.012 323 HG21 THR 47 HG21 THR 47 20.254 -12.225 -10.694 324 HG22 THR 47 HG22 THR 47 21.159 -12.446 -12.239 325 HG23 THR 47 HG23 THR 47 21.708 -13.289 -10.742 326 H GLY 48 HN GLY 48 17.291 -14.401 -10.133 327 HA2 GLY 48 HA2 GLY 48 17.783 -12.288 -8.293 328 HA3 GLY 48 HA1 GLY 48 16.190 -13.026 -8.751 329 H CYS 49 HN CYS 49 16.777 -15.770 -7.965 330 HA CYS 49 HA CYS 49 17.468 -15.526 -5.155 331 HB2 CYS 49 HB2 CYS 49 15.250 -17.014 -4.777 332 HB3 CYS 49 HB1 CYS 49 15.228 -15.236 -4.616 333 HA PRO 50 HA PRO 50 19.198 -19.076 -7.668 334 HB2 PRO 50 HB2 PRO 50 20.843 -19.129 -5.178 335 HB3 PRO 50 HB1 PRO 50 21.375 -19.052 -6.911 336 HG2 PRO 50 HG2 PRO 50 21.119 -16.837 -4.988 337 HG3 PRO 50 HG1 PRO 50 21.680 -16.766 -6.708 338 HD2 PRO 50 HD2 PRO 50 19.270 -15.650 -5.747 339 HD3 PRO 50 HD1 PRO 50 19.599 -16.058 -7.472 Start of MODEL 18 1 H1 SER 1 HT1 SER 1 11.660 -29.078 5.733 2 H2 SER 1 HT2 SER 1 10.563 -30.360 5.547 3 H3 SER 1 HT3 SER 1 11.551 -30.282 6.927 4 HA SER 1 HA SER 1 9.233 -28.636 6.212 5 HB2 SER 1 HB2 SER 1 9.055 -30.775 7.669 6 HB3 SER 1 HB1 SER 1 10.029 -29.882 8.905 7 HG SER 1 HG SER 1 8.421 -28.522 9.218 8 H SER 2 HN SER 2 10.763 -26.747 5.733 9 HA SER 2 HA SER 2 11.056 -25.283 8.193 10 HB2 SER 2 HB2 SER 2 13.335 -26.405 7.995 11 HB3 SER 2 HB1 SER 2 13.485 -25.697 6.337 12 HG SER 2 HG SER 2 13.636 -23.731 7.171 13 H THR 3 HN THR 3 10.990 -22.991 7.787 14 HA THR 3 HA THR 3 9.926 -22.422 5.194 15 HB THR 3 HB THR 3 10.681 -20.498 7.444 16 HG1 THR 3 HG1 THR 3 8.118 -20.704 7.232 17 HG21 THR 3 HG21 THR 3 9.158 -18.935 6.253 18 HG22 THR 3 HG22 THR 3 8.835 -20.184 4.995 19 HG23 THR 3 HG23 THR 3 10.484 -19.474 5.159 20 HA PRO 4 HA PRO 4 13.861 -21.628 3.400 21 HB2 PRO 4 HB2 PRO 4 12.928 -20.135 1.229 22 HB3 PRO 4 HB1 PRO 4 12.936 -21.948 1.300 23 HG2 PRO 4 HG2 PRO 4 10.660 -19.994 1.844 24 HG3 PRO 4 HG1 PRO 4 10.629 -21.596 0.998 25 HD2 PRO 4 HD2 PRO 4 9.767 -21.285 3.587 26 HD3 PRO 4 HD1 PRO 4 10.567 -22.803 3.009 27 H ASP 5 HN ASP 5 11.668 -18.777 2.980 28 HA ASP 5 HA ASP 5 13.316 -17.236 4.673 29 HB2 ASP 5 HB2 ASP 5 14.516 -17.324 2.321 30 HB3 ASP 5 HB1 ASP 5 13.157 -16.281 1.799 31 H GLY 6 HN GLY 6 12.298 -14.958 2.634 32 HA2 GLY 6 HA2 GLY 6 9.502 -15.146 2.820 33 HA3 GLY 6 HA1 GLY 6 10.221 -14.078 4.108 34 H THR 7 HN THR 7 12.570 -13.351 2.415 35 HA THR 7 HA THR 7 11.120 -11.420 0.740 36 HB THR 7 HB THR 7 14.018 -11.490 1.725 37 HG1 THR 7 HG1 THR 7 12.782 -9.263 2.285 38 HG21 THR 7 HG21 THR 7 12.546 -9.701 -0.292 39 HG22 THR 7 HG22 THR 7 14.126 -10.553 -0.480 40 HG23 THR 7 HG23 THR 7 13.997 -9.121 0.610 41 H TRP 8 HN TRP 8 13.469 -14.046 0.829 42 HA TRP 8 HA TRP 8 14.388 -13.797 -1.773 43 HB2 TRP 8 HB2 TRP 8 15.668 -15.415 -0.738 44 HB3 TRP 8 HB1 TRP 8 14.351 -15.873 0.358 45 HD1 TRP 8 HD1 TRP 8 15.988 -16.949 -2.940 46 HE1 TRP 8 HE1 TRP 8 14.872 -19.103 -3.714 47 HE3 TRP 8 HE3 TRP 8 12.121 -17.091 0.344 48 HZ2 TRP 8 HZ2 TRP 8 12.636 -20.649 -3.007 49 HZ3 TRP 8 HZ3 TRP 8 10.526 -18.938 0.235 50 HH2 TRP 8 HH2 TRP 8 10.784 -20.701 -1.434 51 H VAL 9 HN VAL 9 11.443 -15.280 -0.336 52 HA VAL 9 HA VAL 9 10.682 -16.578 -2.742 53 HB VAL 9 HB VAL 9 9.775 -17.197 -0.476 54 HG11 VAL 9 HG11 VAL 9 8.425 -15.722 0.748 55 HG12 VAL 9 HG12 VAL 9 7.883 -14.824 -0.719 56 HG13 VAL 9 HG13 VAL 9 9.529 -14.542 -0.046 57 HG21 VAL 9 HG21 VAL 9 7.472 -17.551 -1.335 58 HG22 VAL 9 HG22 VAL 9 8.698 -17.868 -2.622 59 HG23 VAL 9 HG23 VAL 9 7.751 -16.319 -2.627 60 H LYS 10 HN LYS 10 10.445 -13.271 -1.490 61 HA LYS 10 HA LYS 10 8.255 -12.505 -3.081 62 HB2 LYS 10 HB2 LYS 10 10.664 -10.871 -2.076 63 HB3 LYS 10 HB1 LYS 10 9.280 -10.145 -2.962 64 HG2 LYS 10 HG2 LYS 10 7.716 -10.936 -1.178 65 HG3 LYS 10 HG1 LYS 10 9.101 -11.650 -0.286 66 HD2 LYS 10 HD2 LYS 10 10.125 -9.408 -0.011 67 HD3 LYS 10 HD1 LYS 10 8.822 -8.662 -0.999 68 HE2 LYS 10 HE2 LYS 10 8.355 -8.285 1.404 69 HE3 LYS 10 HE1 LYS 10 7.126 -9.444 0.748 70 HZ1 LYS 10 HZ1 LYS 10 9.403 -9.928 2.548 71 HZ2 LYS 10 HZ2 LYS 10 8.846 -11.188 1.550 72 HZ3 LYS 10 HZ3 LYS 10 7.789 -10.444 2.654 73 H CYS 11 HN CYS 11 11.626 -13.264 -3.743 74 HA CYS 11 HA CYS 11 11.697 -11.856 -6.213 75 HB2 CYS 11 HB2 CYS 11 13.903 -12.291 -5.497 76 HB3 CYS 11 HB1 CYS 11 13.453 -13.871 -4.816 77 H ARG 12 HN ARG 12 11.026 -15.185 -5.052 78 HA ARG 12 HA ARG 12 10.790 -16.377 -7.514 79 HB2 ARG 12 HB2 ARG 12 9.114 -16.844 -4.998 80 HB3 ARG 12 HB1 ARG 12 9.206 -17.944 -6.387 81 HG2 ARG 12 HG2 ARG 12 11.745 -17.140 -4.978 82 HG3 ARG 12 HG1 ARG 12 10.665 -18.372 -4.245 83 HD2 ARG 12 HD2 ARG 12 10.790 -19.713 -6.399 84 HD3 ARG 12 HD1 ARG 12 11.992 -18.500 -7.021 85 HE ARG 12 HE ARG 12 13.066 -19.207 -4.590 86 HH11 ARG 12 HH11 ARG 12 11.744 -21.038 -7.345 87 HH12 ARG 12 HH12 ARG 12 12.798 -22.397 -7.148 88 HH21 ARG 12 HH21 ARG 12 14.506 -21.069 -4.323 89 HH22 ARG 12 HH22 ARG 12 14.392 -22.416 -5.404 90 H HIS 13 HN HIS 13 8.471 -14.556 -5.490 91 HA HIS 13 HA HIS 13 6.345 -14.918 -7.359 92 HB2 HIS 13 HB2 HIS 13 5.712 -14.369 -5.071 93 HB3 HIS 13 HB1 HIS 13 6.790 -12.929 -5.067 94 HD2 HIS 13 HD2 HIS 13 5.554 -10.584 -5.800 95 HE1 HIS 13 HE1 HIS 13 2.028 -12.337 -7.345 96 HE2 HIS 13 HE2 HIS 13 3.211 -10.164 -6.753 97 H ASP 14 HN ASP 14 8.872 -12.413 -6.796 98 HA ASP 14 HA ASP 14 7.787 -10.480 -8.494 99 HB2 ASP 14 HB2 ASP 14 9.875 -10.236 -6.958 100 HB3 ASP 14 HB1 ASP 14 10.789 -11.044 -8.270 101 H CYS 15 HN CYS 15 10.204 -13.130 -9.229 102 HA CYS 15 HA CYS 15 10.187 -12.426 -11.997 103 HB2 CYS 15 HB2 CYS 15 11.030 -15.038 -10.594 104 HB3 CYS 15 HB1 CYS 15 11.250 -14.723 -12.344 105 H PHE 16 HN PHE 16 8.198 -14.392 -9.862 106 HA PHE 16 HA PHE 16 7.124 -16.044 -11.844 107 HB2 PHE 16 HB2 PHE 16 6.709 -16.400 -9.410 108 HB3 PHE 16 HB1 PHE 16 5.724 -14.902 -9.382 109 HD1 PHE 16 HD1 PHE 16 5.973 -17.985 -11.487 110 HD2 PHE 16 HD2 PHE 16 3.520 -15.246 -9.353 111 HE1 PHE 16 HE1 PHE 16 3.987 -19.294 -12.070 112 HE2 PHE 16 HE2 PHE 16 1.541 -16.566 -9.944 113 HZ PHE 16 HZ PHE 16 1.774 -18.588 -11.301 114 H THR 17 HN THR 17 6.097 -12.817 -10.546 115 HA THR 17 HA THR 17 3.854 -12.671 -12.252 116 HB THR 17 HB THR 17 3.963 -10.208 -11.891 117 HG1 THR 17 HG1 THR 17 6.483 -10.955 -10.894 118 HG21 THR 17 HG21 THR 17 3.075 -10.520 -9.816 119 HG22 THR 17 HG22 THR 17 4.636 -11.137 -9.158 120 HG23 THR 17 HG23 THR 17 3.515 -12.256 -10.022 121 H LYS 18 HN LYS 18 7.329 -11.800 -12.643 122 HA LYS 18 HA LYS 18 6.964 -10.504 -15.107 123 HB2 LYS 18 HB2 LYS 18 9.337 -11.900 -13.809 124 HB3 LYS 18 HB1 LYS 18 9.436 -11.367 -15.523 125 HG2 LYS 18 HG2 LYS 18 10.269 -9.785 -13.556 126 HG3 LYS 18 HG1 LYS 18 9.424 -9.108 -14.987 127 HD2 LYS 18 HD2 LYS 18 7.405 -8.771 -13.799 128 HD3 LYS 18 HD1 LYS 18 7.843 -9.948 -12.518 129 HE2 LYS 18 HE2 LYS 18 7.991 -7.621 -11.663 130 HE3 LYS 18 HE1 LYS 18 9.637 -8.373 -11.708 131 HZ1 LYS 18 HZ1 LYS 18 10.247 -6.680 -12.926 132 HZ2 LYS 18 HZ2 LYS 18 8.663 -6.075 -13.033 133 HZ3 LYS 18 HZ3 LYS 18 9.223 -7.198 -14.176 134 H TYR 19 HN TYR 19 7.151 -13.881 -14.068 135 HA TYR 19 HA TYR 19 7.598 -14.854 -16.709 136 HB2 TYR 19 HB2 TYR 19 8.222 -16.444 -15.102 137 HB3 TYR 19 HB1 TYR 19 6.832 -16.071 -14.043 138 HD1 TYR 19 HD1 TYR 19 7.742 -17.601 -17.307 139 HD2 TYR 19 HD2 TYR 19 4.976 -17.357 -14.101 140 HE1 TYR 19 HE1 TYR 19 6.531 -19.521 -18.222 141 HE2 TYR 19 HE2 TYR 19 3.765 -19.273 -15.011 142 HH TYR 19 HH TYR 19 4.757 -21.418 -16.817 143 H LYS 20 HN LYS 20 4.764 -14.567 -14.477 144 HA LYS 20 HA LYS 20 2.928 -15.661 -16.252 145 HB2 LYS 20 HB2 LYS 20 2.475 -13.345 -14.298 146 HB3 LYS 20 HB1 LYS 20 1.204 -14.378 -15.022 147 HG2 LYS 20 HG2 LYS 20 3.449 -15.401 -13.236 148 HG3 LYS 20 HG1 LYS 20 1.810 -14.992 -12.673 149 HD2 LYS 20 HD2 LYS 20 1.972 -16.885 -15.006 150 HD3 LYS 20 HD1 LYS 20 2.588 -17.509 -13.439 151 HE2 LYS 20 HE2 LYS 20 0.390 -16.929 -12.357 152 HE3 LYS 20 HE1 LYS 20 -0.225 -16.333 -13.953 153 HZ1 LYS 20 HZ1 LYS 20 -0.459 -18.397 -14.702 154 HZ2 LYS 20 HZ2 LYS 20 -0.511 -18.811 -13.056 155 HZ3 LYS 20 HZ3 LYS 20 0.929 -18.998 -13.934 156 H SER 21 HN SER 21 4.369 -12.419 -15.921 157 HA SER 21 HA SER 21 2.613 -11.178 -17.763 158 HB2 SER 21 HB2 SER 21 5.561 -10.539 -17.119 159 HB3 SER 21 HB1 SER 21 4.478 -9.478 -18.108 160 HG SER 21 HG SER 21 4.171 -10.268 -15.392 161 H CYS 22 HN CYS 22 5.552 -13.198 -18.061 162 HA CYS 22 HA CYS 22 5.922 -12.649 -20.820 163 HB2 CYS 22 HB2 CYS 22 7.624 -13.746 -19.147 164 HB3 CYS 22 HB1 CYS 22 6.685 -15.248 -19.424 165 H GLN 23 HN GLN 23 4.049 -15.013 -18.899 166 HA GLN 23 HA GLN 23 3.361 -16.609 -21.131 167 HB2 GLN 23 HB2 GLN 23 1.957 -16.192 -18.426 168 HB3 GLN 23 HB1 GLN 23 1.402 -17.379 -19.658 169 HG2 GLN 23 HG2 GLN 23 4.213 -17.394 -18.370 170 HG3 GLN 23 HG1 GLN 23 2.820 -18.426 -17.846 171 HE21 GLN 23 HE21 GLN 23 1.719 -19.719 -19.661 172 HE22 GLN 23 HE22 GLN 23 2.745 -20.434 -20.854 173 H MET 24 HN MET 24 2.273 -13.490 -19.861 174 HA MET 24 HA MET 24 -0.144 -13.680 -21.450 175 HB2 MET 24 HB2 MET 24 0.944 -11.543 -19.593 176 HB3 MET 24 HB1 MET 24 -0.512 -11.317 -20.610 177 HG2 MET 24 HG2 MET 24 -1.436 -13.453 -19.545 178 HG3 MET 24 HG1 MET 24 -0.092 -13.337 -18.376 179 HE1 MET 24 HE1 MET 24 0.672 -11.305 -17.658 180 HE2 MET 24 HE2 MET 24 -0.280 -11.007 -16.162 181 HE3 MET 24 HE3 MET 24 -0.215 -9.756 -17.449 182 H SER 25 HN SER 25 3.064 -13.074 -21.919 183 HA SER 25 HA SER 25 2.741 -10.756 -23.570 184 HB2 SER 25 HB2 SER 25 5.083 -12.738 -23.312 185 HB3 SER 25 HB1 SER 25 5.115 -11.255 -24.351 186 HG SER 25 HG SER 25 4.429 -11.131 -21.611 187 H ASP 26 HN ASP 26 3.373 -10.855 -25.954 188 HA ASP 26 HA ASP 26 1.907 -13.079 -27.090 189 HB2 ASP 26 HB2 ASP 26 3.098 -10.531 -28.293 190 HB3 ASP 26 HB1 ASP 26 2.314 -11.815 -29.279 191 H SER 27 HN SER 27 4.791 -12.974 -25.833 192 HA SER 27 HA SER 27 6.366 -13.638 -28.146 193 HB2 SER 27 HB2 SER 27 7.010 -13.890 -25.143 194 HB3 SER 27 HB1 SER 27 8.188 -14.187 -26.487 195 HG SER 27 HG SER 27 8.535 -12.156 -26.042 196 H CYS 28 HN CYS 28 3.988 -15.104 -26.270 197 HA CYS 28 HA CYS 28 5.242 -17.705 -26.342 198 HB2 CYS 28 HB2 CYS 28 3.658 -17.017 -24.455 199 HB3 CYS 28 HB1 CYS 28 2.350 -16.955 -25.683 200 H HIS 29 HN HIS 29 5.611 -17.660 -28.724 201 HA HIS 29 HA HIS 29 3.176 -17.679 -30.296 202 HB2 HIS 29 HB2 HIS 29 5.958 -18.422 -31.324 203 HB3 HIS 29 HB1 HIS 29 4.569 -17.749 -32.259 204 HD2 HIS 29 HD2 HIS 29 7.444 -16.508 -29.811 205 HE1 HIS 29 HE1 HIS 29 5.622 -13.190 -31.695 206 HE2 HIS 29 HE2 HIS 29 7.523 -13.976 -30.200 207 H ASP 30 HN ASP 30 5.500 -19.865 -28.747 208 HA ASP 30 HA ASP 30 3.835 -22.044 -29.713 209 HB2 ASP 30 HB2 ASP 30 6.345 -21.687 -30.858 210 HB3 ASP 30 HB1 ASP 30 6.756 -22.683 -29.417 211 H GLU 31 HN GLU 31 4.576 -24.132 -28.357 212 HA GLU 31 HA GLU 31 4.183 -23.385 -25.668 213 HB2 GLU 31 HB2 GLU 31 5.108 -26.042 -26.910 214 HB3 GLU 31 HB1 GLU 31 4.763 -25.828 -25.154 215 HG2 GLU 31 HG2 GLU 31 2.383 -25.256 -25.640 216 HG3 GLU 31 HG1 GLU 31 2.708 -25.376 -27.417 217 H GLN 32 HN GLN 32 7.029 -24.266 -27.678 218 HA GLN 32 HA GLN 32 8.822 -24.474 -25.531 219 HB2 GLN 32 HB2 GLN 32 9.326 -25.191 -27.910 220 HB3 GLN 32 HB1 GLN 32 9.391 -23.460 -28.358 221 HG2 GLN 32 HG2 GLN 32 11.305 -23.073 -26.837 222 HG3 GLN 32 HG1 GLN 32 11.215 -24.787 -26.265 223 HE21 GLN 32 HE21 GLN 32 13.608 -24.223 -27.262 224 HE22 GLN 32 HE22 GLN 32 13.828 -24.814 -28.874 225 H SER 33 HN SER 33 7.646 -21.734 -27.545 226 HA SER 33 HA SER 33 9.438 -19.854 -26.500 227 HB2 SER 33 HB2 SER 33 6.542 -19.417 -27.452 228 HB3 SER 33 HB1 SER 33 7.751 -18.106 -27.168 229 HG SER 33 HG SER 33 8.943 -18.836 -28.823 230 H CYS 34 HN CYS 34 6.201 -21.064 -25.405 231 HA CYS 34 HA CYS 34 6.073 -19.212 -23.249 232 HB2 CYS 34 HB2 CYS 34 4.522 -21.599 -24.158 233 HB3 CYS 34 HB1 CYS 34 4.647 -21.474 -22.369 234 H HIS 35 HN HIS 35 7.537 -22.438 -23.795 235 HA HIS 35 HA HIS 35 8.008 -22.966 -21.058 236 HB2 HIS 35 HB2 HIS 35 8.268 -24.778 -22.740 237 HB3 HIS 35 HB1 HIS 35 9.585 -23.846 -23.540 238 HD2 HIS 35 HD2 HIS 35 12.051 -24.660 -22.745 239 HE1 HIS 35 HE1 HIS 35 10.927 -26.256 -18.994 240 HE2 HIS 35 HE2 HIS 35 12.832 -25.895 -20.639 241 H GLN 36 HN GLN 36 9.722 -21.119 -23.612 242 HA GLN 36 HA GLN 36 12.109 -20.780 -22.200 243 HB2 GLN 36 HB2 GLN 36 10.677 -18.931 -24.160 244 HB3 GLN 36 HB1 GLN 36 12.306 -18.591 -23.507 245 HG2 GLN 36 HG2 GLN 36 11.716 -21.254 -24.894 246 HG3 GLN 36 HG1 GLN 36 12.118 -19.766 -25.843 247 HE21 GLN 36 HE21 GLN 36 13.331 -22.238 -23.641 248 HE22 GLN 36 HE22 GLN 36 14.981 -21.742 -23.653 249 H CYS 37 HN CYS 37 8.939 -19.154 -22.047 250 HA CYS 37 HA CYS 37 9.799 -16.995 -20.471 251 HB2 CYS 37 HB2 CYS 37 7.115 -18.457 -20.563 252 HB3 CYS 37 HB1 CYS 37 7.399 -16.984 -19.603 253 H HIS 38 HN HIS 38 8.779 -20.317 -19.759 254 HA HIS 38 HA HIS 38 8.799 -19.914 -16.952 255 HB2 HIS 38 HB2 HIS 38 7.537 -21.805 -18.078 256 HB3 HIS 38 HB1 HIS 38 9.133 -22.533 -18.496 257 HD2 HIS 38 HD2 HIS 38 10.637 -23.462 -16.226 258 HE1 HIS 38 HE1 HIS 38 7.245 -23.409 -13.695 259 HE2 HIS 38 HE2 HIS 38 9.646 -24.210 -13.977 260 H VAL 39 HN VAL 39 11.076 -21.044 -19.436 261 HA VAL 39 HA VAL 39 13.035 -21.879 -17.591 262 HB VAL 39 HB VAL 39 13.233 -20.854 -20.451 263 HG11 VAL 39 HG11 VAL 39 15.565 -22.019 -20.241 264 HG12 VAL 39 HG12 VAL 39 15.330 -21.875 -18.458 265 HG13 VAL 39 HG13 VAL 39 15.374 -20.393 -19.486 266 HG21 VAL 39 HG21 VAL 39 12.615 -23.434 -19.084 267 HG22 VAL 39 HG22 VAL 39 13.917 -23.563 -20.330 268 HG23 VAL 39 HG23 VAL 39 12.298 -22.910 -20.783 269 H LYS 40 HN LYS 40 12.153 -18.740 -19.106 270 HA LYS 40 HA LYS 40 14.492 -17.409 -18.233 271 HB2 LYS 40 HB2 LYS 40 11.657 -16.403 -18.847 272 HB3 LYS 40 HB1 LYS 40 12.978 -15.300 -18.319 273 HG2 LYS 40 HG2 LYS 40 14.042 -15.362 -20.344 274 HG3 LYS 40 HG1 LYS 40 13.714 -17.114 -20.586 275 HD2 LYS 40 HD2 LYS 40 11.844 -16.712 -21.819 276 HD3 LYS 40 HD1 LYS 40 11.251 -15.450 -20.690 277 HE2 LYS 40 HE2 LYS 40 12.821 -13.785 -21.732 278 HE3 LYS 40 HE1 LYS 40 13.401 -15.063 -22.878 279 HZ1 LYS 40 HZ1 LYS 40 10.551 -14.267 -22.618 280 HZ2 LYS 40 HZ2 LYS 40 11.282 -15.199 -23.836 281 HZ3 LYS 40 HZ3 LYS 40 11.634 -13.542 -23.705 282 H HIS 41 HN HIS 41 11.314 -18.188 -16.819 283 HA HIS 41 HA HIS 41 11.648 -16.605 -14.528 284 HB2 HIS 41 HB2 HIS 41 9.454 -17.588 -15.073 285 HB3 HIS 41 HB1 HIS 41 10.137 -19.232 -14.931 286 HD2 HIS 41 HD2 HIS 41 9.126 -16.198 -12.544 287 HE1 HIS 41 HE1 HIS 41 9.592 -19.723 -10.286 288 HE2 HIS 41 HE2 HIS 41 8.874 -17.289 -10.247 289 H THR 42 HN THR 42 12.552 -19.962 -15.424 290 HA THR 42 HA THR 42 13.416 -20.706 -12.889 291 HB THR 42 HB THR 42 14.400 -21.557 -15.661 292 HG1 THR 42 HG1 THR 42 12.199 -21.983 -14.935 293 HG21 THR 42 HG21 THR 42 16.188 -22.236 -14.347 294 HG22 THR 42 HG22 THR 42 15.081 -23.632 -14.079 295 HG23 THR 42 HG23 THR 42 15.204 -22.326 -12.843 296 H ASP 43 HN ASP 43 15.161 -19.133 -15.674 297 HA ASP 43 HA ASP 43 17.617 -19.049 -14.223 298 HB2 ASP 43 HB2 ASP 43 16.622 -17.469 -16.660 299 HB3 ASP 43 HB1 ASP 43 18.275 -17.269 -15.966 300 H CYS 44 HN CYS 44 14.766 -16.943 -14.530 301 HA CYS 44 HA CYS 44 15.995 -14.637 -13.438 302 HB2 CYS 44 HB2 CYS 44 13.708 -14.701 -14.676 303 HB3 CYS 44 HB1 CYS 44 13.040 -15.417 -13.173 304 H VAL 45 HN VAL 45 14.345 -17.496 -12.181 305 HA VAL 45 HA VAL 45 14.336 -16.463 -9.538 306 HB VAL 45 HB VAL 45 13.651 -19.045 -10.885 307 HG11 VAL 45 HG11 VAL 45 13.486 -20.124 -8.563 308 HG12 VAL 45 HG12 VAL 45 14.434 -18.739 -7.910 309 HG13 VAL 45 HG13 VAL 45 15.177 -19.849 -9.137 310 HG21 VAL 45 HG21 VAL 45 11.619 -18.702 -9.330 311 HG22 VAL 45 HG22 VAL 45 11.874 -17.426 -10.585 312 HG23 VAL 45 HG23 VAL 45 12.350 -17.117 -8.869 313 H ASN 46 HN ASN 46 16.357 -18.600 -11.521 314 HA ASN 46 HA ASN 46 17.934 -19.507 -9.398 315 HB2 ASN 46 HB2 ASN 46 18.362 -19.177 -12.373 316 HB3 ASN 46 HB1 ASN 46 19.724 -19.657 -11.310 317 HD21 ASN 46 HD21 ASN 46 18.111 -21.087 -13.485 318 HD22 ASN 46 HD22 ASN 46 17.634 -22.574 -12.756 319 H THR 47 HN THR 47 17.968 -16.479 -11.281 320 HA THR 47 HA THR 47 20.526 -15.821 -10.042 321 HB THR 47 HB THR 47 18.813 -14.192 -11.975 322 HG1 THR 47 HG1 THR 47 19.647 -16.003 -12.953 323 HG21 THR 47 HG21 THR 47 21.573 -13.800 -10.681 324 HG22 THR 47 HG22 THR 47 20.172 -12.664 -10.711 325 HG23 THR 47 HG23 THR 47 21.114 -12.976 -12.218 326 H GLY 48 HN GLY 48 17.086 -14.721 -10.166 327 HA2 GLY 48 HA2 GLY 48 17.608 -12.568 -8.384 328 HA3 GLY 48 HA1 GLY 48 16.001 -13.273 -8.851 329 H CYS 49 HN CYS 49 16.485 -16.006 -7.968 330 HA CYS 49 HA CYS 49 17.141 -15.704 -5.158 331 HB2 CYS 49 HB2 CYS 49 14.850 -17.090 -4.773 332 HB3 CYS 49 HB1 CYS 49 14.913 -15.310 -4.645 333 HA PRO 50 HA PRO 50 18.565 -19.498 -7.485 334 HB2 PRO 50 HB2 PRO 50 20.661 -19.606 -5.482 335 HB3 PRO 50 HB1 PRO 50 20.825 -19.147 -7.230 336 HG2 PRO 50 HG2 PRO 50 20.551 -17.380 -4.784 337 HG3 PRO 50 HG1 PRO 50 21.334 -17.032 -6.380 338 HD2 PRO 50 HD2 PRO 50 18.937 -15.929 -5.688 339 HD3 PRO 50 HD1 PRO 50 19.301 -16.405 -7.390 Start of MODEL 19 1 H1 SER 1 HT1 SER 1 9.937 -30.106 5.437 2 H2 SER 1 HT2 SER 1 10.182 -30.422 7.089 3 H3 SER 1 HT3 SER 1 11.019 -29.150 6.334 4 HA SER 1 HA SER 1 8.509 -28.477 5.797 5 HB2 SER 1 HB2 SER 1 7.233 -28.691 7.998 6 HB3 SER 1 HB1 SER 1 7.543 -30.291 7.214 7 HG SER 1 HG SER 1 9.116 -29.063 9.248 8 H SER 2 HN SER 2 10.535 -26.907 5.632 9 HA SER 2 HA SER 2 10.399 -25.277 8.061 10 HB2 SER 2 HB2 SER 2 12.922 -25.791 6.362 11 HB3 SER 2 HB1 SER 2 12.803 -24.591 7.711 12 HG SER 2 HG SER 2 11.921 -27.044 8.447 13 H THR 3 HN THR 3 10.452 -22.972 7.641 14 HA THR 3 HA THR 3 9.501 -22.406 5.000 15 HB THR 3 HB THR 3 10.183 -20.486 7.277 16 HG1 THR 3 HG1 THR 3 7.632 -20.635 6.928 17 HG21 THR 3 HG21 THR 3 8.758 -18.894 6.003 18 HG22 THR 3 HG22 THR 3 8.483 -20.139 4.730 19 HG23 THR 3 HG23 THR 3 10.133 -19.461 4.985 20 HA PRO 4 HA PRO 4 13.528 -21.691 3.381 21 HB2 PRO 4 HB2 PRO 4 12.720 -20.187 1.169 22 HB3 PRO 4 HB1 PRO 4 12.690 -22.000 1.243 23 HG2 PRO 4 HG2 PRO 4 10.430 -20.000 1.684 24 HG3 PRO 4 HG1 PRO 4 10.406 -21.602 0.838 25 HD2 PRO 4 HD2 PRO 4 9.436 -21.274 3.384 26 HD3 PRO 4 HD1 PRO 4 10.235 -22.806 2.845 27 H ASP 5 HN ASP 5 11.402 -18.804 2.875 28 HA ASP 5 HA ASP 5 13.013 -17.289 4.627 29 HB2 ASP 5 HB2 ASP 5 14.292 -17.395 2.319 30 HB3 ASP 5 HB1 ASP 5 12.966 -16.333 1.748 31 H GLY 6 HN GLY 6 12.098 -14.997 2.552 32 HA2 GLY 6 HA2 GLY 6 9.294 -15.142 2.643 33 HA3 GLY 6 HA1 GLY 6 9.983 -14.087 3.957 34 H THR 7 HN THR 7 12.398 -13.386 2.351 35 HA THR 7 HA THR 7 11.033 -11.432 0.631 36 HB THR 7 HB THR 7 13.895 -11.544 1.718 37 HG1 THR 7 HG1 THR 7 12.528 -9.301 2.168 38 HG21 THR 7 HG21 THR 7 12.523 -9.735 -0.350 39 HG22 THR 7 HG22 THR 7 14.097 -10.606 -0.480 40 HG23 THR 7 HG23 THR 7 13.946 -9.173 0.606 41 H TRP 8 HN TRP 8 13.340 -14.091 0.792 42 HA TRP 8 HA TRP 8 14.354 -13.848 -1.776 43 HB2 TRP 8 HB2 TRP 8 15.577 -15.483 -0.699 44 HB3 TRP 8 HB1 TRP 8 14.217 -15.925 0.350 45 HD1 TRP 8 HD1 TRP 8 15.958 -17.026 -2.882 46 HE1 TRP 8 HE1 TRP 8 14.844 -19.166 -3.698 47 HE3 TRP 8 HE3 TRP 8 11.969 -17.112 0.252 48 HZ2 TRP 8 HZ2 TRP 8 12.563 -20.680 -3.076 49 HZ3 TRP 8 HZ3 TRP 8 10.353 -18.939 0.082 50 HH2 TRP 8 HH2 TRP 8 10.652 -20.707 -1.575 51 H VAL 9 HN VAL 9 11.343 -15.299 -0.447 52 HA VAL 9 HA VAL 9 10.652 -16.587 -2.877 53 HB VAL 9 HB VAL 9 9.657 -17.188 -0.645 54 HG11 VAL 9 HG11 VAL 9 8.296 -15.691 0.533 55 HG12 VAL 9 HG12 VAL 9 7.799 -14.800 -0.954 56 HG13 VAL 9 HG13 VAL 9 9.428 -14.523 -0.239 57 HG21 VAL 9 HG21 VAL 9 8.649 -17.844 -2.832 58 HG22 VAL 9 HG22 VAL 9 7.714 -16.290 -2.860 59 HG23 VAL 9 HG23 VAL 9 7.387 -17.526 -1.582 60 H LYS 10 HN LYS 10 10.422 -13.275 -1.653 61 HA LYS 10 HA LYS 10 8.292 -12.486 -3.315 62 HB2 LYS 10 HB2 LYS 10 10.690 -10.873 -2.252 63 HB3 LYS 10 HB1 LYS 10 9.322 -10.140 -3.159 64 HG2 LYS 10 HG2 LYS 10 7.728 -10.920 -1.405 65 HG3 LYS 10 HG1 LYS 10 9.087 -11.661 -0.496 66 HD2 LYS 10 HD2 LYS 10 10.148 -9.407 -0.245 67 HD3 LYS 10 HD1 LYS 10 8.790 -8.665 -1.158 68 HE2 LYS 10 HE2 LYS 10 7.180 -9.404 0.621 69 HE3 LYS 10 HE1 LYS 10 8.544 -10.167 1.539 70 HZ1 LYS 10 HZ1 LYS 10 7.669 -7.540 1.618 71 HZ2 LYS 10 HZ2 LYS 10 9.190 -7.502 0.864 72 HZ3 LYS 10 HZ3 LYS 10 9.017 -8.224 2.391 73 H CYS 11 HN CYS 11 11.672 -13.288 -3.864 74 HA CYS 11 HA CYS 11 11.837 -11.891 -6.337 75 HB2 CYS 11 HB2 CYS 11 14.016 -12.341 -5.548 76 HB3 CYS 11 HB1 CYS 11 13.530 -13.910 -4.868 77 H ARG 12 HN ARG 12 11.112 -15.212 -5.182 78 HA ARG 12 HA ARG 12 10.937 -16.410 -7.648 79 HB2 ARG 12 HB2 ARG 12 9.196 -16.865 -5.174 80 HB3 ARG 12 HB1 ARG 12 9.316 -17.968 -6.557 81 HG2 ARG 12 HG2 ARG 12 11.827 -17.173 -5.098 82 HG3 ARG 12 HG1 ARG 12 10.722 -18.387 -4.372 83 HD2 ARG 12 HD2 ARG 12 10.874 -19.744 -6.519 84 HD3 ARG 12 HD1 ARG 12 12.117 -18.557 -7.111 85 HE ARG 12 HE ARG 12 13.101 -19.267 -4.643 86 HH11 ARG 12 HH11 ARG 12 11.832 -21.094 -7.426 87 HH12 ARG 12 HH12 ARG 12 12.856 -22.470 -7.190 88 HH21 ARG 12 HH21 ARG 12 14.501 -21.152 -4.322 89 HH22 ARG 12 HH22 ARG 12 14.396 -22.504 -5.399 90 H HIS 13 HN HIS 13 8.573 -14.576 -5.691 91 HA HIS 13 HA HIS 13 6.494 -14.947 -7.606 92 HB2 HIS 13 HB2 HIS 13 5.832 -14.388 -5.321 93 HB3 HIS 13 HB1 HIS 13 6.879 -12.925 -5.331 94 HD2 HIS 13 HD2 HIS 13 5.593 -10.624 -6.093 95 HE1 HIS 13 HE1 HIS 13 2.145 -12.478 -7.695 96 HE2 HIS 13 HE2 HIS 13 3.259 -10.271 -7.095 97 H ASP 14 HN ASP 14 8.987 -12.413 -6.987 98 HA ASP 14 HA ASP 14 7.935 -10.506 -8.736 99 HB2 ASP 14 HB2 ASP 14 9.955 -10.193 -7.145 100 HB3 ASP 14 HB1 ASP 14 10.931 -11.048 -8.381 101 H CYS 15 HN CYS 15 10.385 -13.145 -9.368 102 HA CYS 15 HA CYS 15 10.479 -12.460 -12.134 103 HB2 CYS 15 HB2 CYS 15 11.240 -15.075 -10.693 104 HB3 CYS 15 HB1 CYS 15 11.546 -14.759 -12.429 105 H PHE 16 HN PHE 16 8.438 -14.479 -10.075 106 HA PHE 16 HA PHE 16 7.413 -16.088 -12.116 107 HB2 PHE 16 HB2 PHE 16 6.955 -16.499 -9.696 108 HB3 PHE 16 HB1 PHE 16 5.955 -15.009 -9.657 109 HD1 PHE 16 HD1 PHE 16 6.259 -18.010 -11.881 110 HD2 PHE 16 HD2 PHE 16 3.762 -15.418 -9.610 111 HE1 PHE 16 HE1 PHE 16 4.295 -19.328 -12.515 112 HE2 PHE 16 HE2 PHE 16 1.806 -16.750 -10.256 113 HZ PHE 16 HZ PHE 16 2.073 -18.701 -11.705 114 H THR 17 HN THR 17 6.316 -12.913 -10.755 115 HA THR 17 HA THR 17 4.118 -12.751 -12.517 116 HB THR 17 HB THR 17 4.177 -10.295 -12.072 117 HG1 THR 17 HG1 THR 17 6.682 -11.052 -11.076 118 HG21 THR 17 HG21 THR 17 3.218 -10.683 -10.040 119 HG22 THR 17 HG22 THR 17 4.753 -11.336 -9.355 120 HG23 THR 17 HG23 THR 17 3.663 -12.410 -10.310 121 H LYS 18 HN LYS 18 7.576 -11.788 -12.766 122 HA LYS 18 HA LYS 18 7.283 -10.393 -15.159 123 HB2 LYS 18 HB2 LYS 18 9.567 -11.760 -13.759 124 HB3 LYS 18 HB1 LYS 18 9.764 -11.403 -15.509 125 HG2 LYS 18 HG2 LYS 18 10.658 -9.615 -13.981 126 HG3 LYS 18 HG1 LYS 18 9.437 -9.041 -15.163 127 HD2 LYS 18 HD2 LYS 18 7.931 -9.810 -12.887 128 HD3 LYS 18 HD1 LYS 18 9.375 -9.015 -12.223 129 HE2 LYS 18 HE2 LYS 18 7.621 -7.775 -14.421 130 HE3 LYS 18 HE1 LYS 18 7.429 -7.432 -12.653 131 HZ1 LYS 18 HZ1 LYS 18 10.095 -7.159 -13.836 132 HZ2 LYS 18 HZ2 LYS 18 9.341 -6.275 -12.599 133 HZ3 LYS 18 HZ3 LYS 18 8.929 -5.987 -14.221 134 H TYR 19 HN TYR 19 7.370 -13.821 -14.318 135 HA TYR 19 HA TYR 19 7.860 -14.592 -17.043 136 HB2 TYR 19 HB2 TYR 19 8.603 -16.269 -15.580 137 HB3 TYR 19 HB1 TYR 19 7.234 -16.035 -14.448 138 HD1 TYR 19 HD1 TYR 19 8.166 -17.349 -17.792 139 HD2 TYR 19 HD2 TYR 19 5.359 -17.316 -14.603 140 HE1 TYR 19 HE1 TYR 19 6.998 -19.237 -18.813 141 HE2 TYR 19 HE2 TYR 19 4.189 -19.203 -15.623 142 HH TYR 19 HH TYR 19 4.987 -21.197 -17.306 143 H LYS 20 HN LYS 20 5.073 -14.535 -14.727 144 HA LYS 20 HA LYS 20 3.219 -15.616 -16.498 145 HB2 LYS 20 HB2 LYS 20 2.758 -13.413 -14.429 146 HB3 LYS 20 HB1 LYS 20 1.490 -14.431 -15.184 147 HG2 LYS 20 HG2 LYS 20 3.795 -15.502 -13.518 148 HG3 LYS 20 HG1 LYS 20 2.164 -15.158 -12.897 149 HD2 LYS 20 HD2 LYS 20 2.373 -16.929 -15.331 150 HD3 LYS 20 HD1 LYS 20 2.918 -17.612 -13.767 151 HE2 LYS 20 HE2 LYS 20 0.687 -17.104 -12.756 152 HE3 LYS 20 HE1 LYS 20 0.137 -16.390 -14.327 153 HZ1 LYS 20 HZ1 LYS 20 0.836 -18.656 -15.265 154 HZ2 LYS 20 HZ2 LYS 20 -0.620 -18.529 -14.392 155 HZ3 LYS 20 HZ3 LYS 20 0.756 -19.194 -13.653 156 H SER 21 HN SER 21 4.687 -12.435 -16.199 157 HA SER 21 HA SER 21 2.815 -11.031 -17.738 158 HB2 SER 21 HB2 SER 21 4.768 -9.892 -16.562 159 HB3 SER 21 HB1 SER 21 5.878 -10.651 -17.772 160 HG SER 21 HG SER 21 4.219 -9.595 -19.294 161 H CYS 22 HN CYS 22 5.471 -13.296 -18.586 162 HA CYS 22 HA CYS 22 5.365 -12.719 -21.363 163 HB2 CYS 22 HB2 CYS 22 7.337 -13.884 -20.395 164 HB3 CYS 22 HB1 CYS 22 6.277 -15.231 -19.879 165 H GLN 23 HN GLN 23 3.763 -15.088 -19.183 166 HA GLN 23 HA GLN 23 2.523 -16.496 -21.280 167 HB2 GLN 23 HB2 GLN 23 1.728 -16.130 -18.335 168 HB3 GLN 23 HB1 GLN 23 0.782 -17.151 -19.475 169 HG2 GLN 23 HG2 GLN 23 2.990 -18.456 -19.940 170 HG3 GLN 23 HG1 GLN 23 3.668 -17.585 -18.504 171 HE21 GLN 23 HE21 GLN 23 1.997 -20.364 -19.490 172 HE22 GLN 23 HE22 GLN 23 1.280 -20.815 -17.981 173 H MET 24 HN MET 24 1.919 -13.382 -19.719 174 HA MET 24 HA MET 24 -0.779 -13.302 -20.740 175 HB2 MET 24 HB2 MET 24 0.993 -11.151 -19.473 176 HB3 MET 24 HB1 MET 24 -0.708 -10.903 -19.976 177 HG2 MET 24 HG2 MET 24 0.168 -13.024 -17.963 178 HG3 MET 24 HG1 MET 24 -0.333 -11.375 -17.509 179 HE1 MET 24 HE1 MET 24 -1.554 -14.791 -19.343 180 HE2 MET 24 HE2 MET 24 -2.738 -15.067 -18.020 181 HE3 MET 24 HE3 MET 24 -1.018 -14.723 -17.627 182 H SER 25 HN SER 25 2.491 -12.628 -21.724 183 HA SER 25 HA SER 25 1.731 -10.674 -23.671 184 HB2 SER 25 HB2 SER 25 4.293 -12.369 -23.446 185 HB3 SER 25 HB1 SER 25 4.054 -11.002 -24.611 186 HG SER 25 HG SER 25 3.769 -10.768 -21.792 187 H ASP 26 HN ASP 26 2.251 -11.130 -26.087 188 HA ASP 26 HA ASP 26 0.831 -13.571 -26.717 189 HB2 ASP 26 HB2 ASP 26 1.867 -11.257 -28.435 190 HB3 ASP 26 HB1 ASP 26 1.078 -12.720 -29.124 191 H SER 27 HN SER 27 3.888 -12.955 -25.807 192 HA SER 27 HA SER 27 5.252 -14.169 -28.030 193 HB2 SER 27 HB2 SER 27 6.213 -13.607 -25.152 194 HB3 SER 27 HB1 SER 27 7.266 -14.210 -26.496 195 HG SER 27 HG SER 27 7.508 -12.218 -26.943 196 H CYS 28 HN CYS 28 3.273 -15.140 -25.433 197 HA CYS 28 HA CYS 28 4.605 -17.714 -25.205 198 HB2 CYS 28 HB2 CYS 28 3.558 -16.463 -23.172 199 HB3 CYS 28 HB1 CYS 28 1.970 -16.807 -23.928 200 H HIS 29 HN HIS 29 4.136 -17.782 -27.712 201 HA HIS 29 HA HIS 29 1.388 -18.754 -28.052 202 HB2 HIS 29 HB2 HIS 29 1.787 -18.443 -30.528 203 HB3 HIS 29 HB1 HIS 29 1.875 -16.895 -29.621 204 HD2 HIS 29 HD2 HIS 29 4.530 -15.797 -29.384 205 HE1 HIS 29 HE1 HIS 29 6.158 -18.393 -32.289 206 HE2 HIS 29 HE2 HIS 29 6.534 -16.303 -30.892 207 H ASP 30 HN ASP 30 4.869 -19.399 -28.332 208 HA ASP 30 HA ASP 30 4.196 -22.047 -29.344 209 HB2 ASP 30 HB2 ASP 30 6.801 -20.440 -29.294 210 HB3 ASP 30 HB1 ASP 30 6.825 -22.230 -29.474 211 H GLU 31 HN GLU 31 4.897 -23.898 -28.172 212 HA GLU 31 HA GLU 31 4.814 -23.525 -25.394 213 HB2 GLU 31 HB2 GLU 31 5.737 -25.928 -27.072 214 HB3 GLU 31 HB1 GLU 31 5.607 -25.960 -25.276 215 HG2 GLU 31 HG2 GLU 31 3.157 -25.532 -25.388 216 HG3 GLU 31 HG1 GLU 31 3.251 -25.375 -27.189 217 H GLN 32 HN GLN 32 7.467 -23.958 -27.792 218 HA GLN 32 HA GLN 32 9.481 -24.249 -25.840 219 HB2 GLN 32 HB2 GLN 32 9.770 -24.803 -28.294 220 HB3 GLN 32 HB1 GLN 32 9.717 -23.048 -28.639 221 HG2 GLN 32 HG2 GLN 32 11.757 -22.662 -27.284 222 HG3 GLN 32 HG1 GLN 32 11.799 -24.413 -26.828 223 HE21 GLN 32 HE21 GLN 32 14.046 -23.602 -28.034 224 HE22 GLN 32 HE22 GLN 32 14.127 -24.098 -29.689 225 H SER 33 HN SER 33 8.111 -21.418 -27.646 226 HA SER 33 HA SER 33 9.916 -19.563 -26.550 227 HB2 SER 33 HB2 SER 33 7.001 -19.139 -27.460 228 HB3 SER 33 HB1 SER 33 8.152 -17.801 -27.063 229 HG SER 33 HG SER 33 9.082 -18.078 -28.886 230 H CYS 34 HN CYS 34 6.692 -20.802 -25.482 231 HA CYS 34 HA CYS 34 6.553 -19.085 -23.248 232 HB2 CYS 34 HB2 CYS 34 5.374 -21.900 -23.659 233 HB3 CYS 34 HB1 CYS 34 4.959 -20.814 -22.287 234 H HIS 35 HN HIS 35 8.031 -22.322 -23.866 235 HA HIS 35 HA HIS 35 8.620 -22.835 -21.150 236 HB2 HIS 35 HB2 HIS 35 8.776 -24.637 -22.872 237 HB3 HIS 35 HB1 HIS 35 10.121 -23.741 -23.667 238 HD2 HIS 35 HD2 HIS 35 12.565 -24.642 -22.883 239 HE1 HIS 35 HE1 HIS 35 11.391 -26.245 -19.150 240 HE2 HIS 35 HE2 HIS 35 13.306 -25.928 -20.793 241 H GLN 36 HN GLN 36 10.320 -21.059 -23.785 242 HA GLN 36 HA GLN 36 12.745 -20.770 -22.418 243 HB2 GLN 36 HB2 GLN 36 11.332 -18.905 -24.383 244 HB3 GLN 36 HB1 GLN 36 12.981 -18.594 -23.753 245 HG2 GLN 36 HG2 GLN 36 12.349 -21.280 -25.064 246 HG3 GLN 36 HG1 GLN 36 12.687 -19.821 -26.079 247 HE21 GLN 36 HE21 GLN 36 14.012 -22.085 -23.670 248 HE22 GLN 36 HE22 GLN 36 15.660 -21.611 -23.838 249 H CYS 37 HN CYS 37 9.665 -18.965 -22.303 250 HA CYS 37 HA CYS 37 10.691 -16.911 -20.666 251 HB2 CYS 37 HB2 CYS 37 7.880 -18.013 -21.067 252 HB3 CYS 37 HB1 CYS 37 8.232 -16.669 -19.941 253 H HIS 38 HN HIS 38 9.335 -20.125 -20.071 254 HA HIS 38 HA HIS 38 9.171 -19.746 -17.267 255 HB2 HIS 38 HB2 HIS 38 7.903 -21.573 -18.474 256 HB3 HIS 38 HB1 HIS 38 9.485 -22.365 -18.820 257 HD2 HIS 38 HD2 HIS 38 10.828 -23.389 -16.484 258 HE1 HIS 38 HE1 HIS 38 7.307 -23.246 -14.139 259 HE2 HIS 38 HE2 HIS 38 9.689 -24.135 -14.306 260 H VAL 39 HN VAL 39 11.572 -20.925 -19.596 261 HA VAL 39 HA VAL 39 13.364 -21.856 -17.619 262 HB VAL 39 HB VAL 39 13.785 -20.868 -20.471 263 HG11 VAL 39 HG11 VAL 39 15.878 -20.484 -19.379 264 HG12 VAL 39 HG12 VAL 39 16.049 -22.127 -20.108 265 HG13 VAL 39 HG13 VAL 39 15.711 -21.952 -18.344 266 HG21 VAL 39 HG21 VAL 39 14.355 -23.622 -20.211 267 HG22 VAL 39 HG22 VAL 39 12.851 -22.898 -20.896 268 HG23 VAL 39 HG23 VAL 39 12.913 -23.376 -19.154 269 H LYS 40 HN LYS 40 12.708 -18.696 -19.213 270 HA LYS 40 HA LYS 40 15.037 -17.452 -18.207 271 HB2 LYS 40 HB2 LYS 40 12.284 -16.343 -18.987 272 HB3 LYS 40 HB1 LYS 40 13.610 -15.287 -18.381 273 HG2 LYS 40 HG2 LYS 40 14.819 -15.427 -20.328 274 HG3 LYS 40 HG1 LYS 40 14.377 -17.147 -20.613 275 HD2 LYS 40 HD2 LYS 40 12.721 -16.563 -22.036 276 HD3 LYS 40 HD1 LYS 40 12.004 -15.432 -20.839 277 HE2 LYS 40 HE2 LYS 40 13.601 -13.643 -21.551 278 HE3 LYS 40 HE1 LYS 40 14.358 -14.785 -22.737 279 HZ1 LYS 40 HZ1 LYS 40 12.665 -14.550 -24.126 280 HZ2 LYS 40 HZ2 LYS 40 12.340 -13.120 -23.269 281 HZ3 LYS 40 HZ3 LYS 40 11.477 -14.539 -22.913 282 H HIS 41 HN HIS 41 11.757 -18.109 -16.976 283 HA HIS 41 HA HIS 41 12.010 -16.536 -14.672 284 HB2 HIS 41 HB2 HIS 41 9.818 -17.428 -15.281 285 HB3 HIS 41 HB1 HIS 41 10.440 -19.100 -15.211 286 HD2 HIS 41 HD2 HIS 41 9.403 -16.187 -12.719 287 HE1 HIS 41 HE1 HIS 41 9.772 -19.812 -10.607 288 HE2 HIS 41 HE2 HIS 41 9.071 -17.377 -10.481 289 H THR 42 HN THR 42 12.857 -19.926 -15.503 290 HA THR 42 HA THR 42 13.575 -20.676 -12.924 291 HB THR 42 HB THR 42 14.673 -21.579 -15.637 292 HG1 THR 42 HG1 THR 42 12.428 -21.930 -15.065 293 HG21 THR 42 HG21 THR 42 16.357 -22.326 -14.236 294 HG22 THR 42 HG22 THR 42 15.178 -23.665 -13.995 295 HG23 THR 42 HG23 THR 42 15.303 -22.342 -12.778 296 H ASP 43 HN ASP 43 15.496 -19.171 -15.628 297 HA ASP 43 HA ASP 43 17.886 -19.153 -14.073 298 HB2 ASP 43 HB2 ASP 43 17.038 -17.527 -16.536 299 HB3 ASP 43 HB1 ASP 43 18.666 -17.386 -15.777 300 H CYS 44 HN CYS 44 15.105 -16.977 -14.491 301 HA CYS 44 HA CYS 44 16.328 -14.701 -13.341 302 HB2 CYS 44 HB2 CYS 44 14.089 -14.716 -14.660 303 HB3 CYS 44 HB1 CYS 44 13.353 -15.441 -13.196 304 H VAL 45 HN VAL 45 14.589 -17.536 -12.161 305 HA VAL 45 HA VAL 45 14.503 -16.522 -9.514 306 HB VAL 45 HB VAL 45 13.835 -19.088 -10.902 307 HG11 VAL 45 HG11 VAL 45 13.547 -20.164 -8.592 308 HG12 VAL 45 HG12 VAL 45 14.484 -18.794 -7.894 309 HG13 VAL 45 HG13 VAL 45 15.267 -19.913 -9.085 310 HG21 VAL 45 HG21 VAL 45 11.740 -18.713 -9.438 311 HG22 VAL 45 HG22 VAL 45 12.070 -17.448 -10.687 312 HG23 VAL 45 HG23 VAL 45 12.472 -17.137 -8.952 313 H ASN 46 HN ASN 46 16.553 -18.685 -11.434 314 HA ASN 46 HA ASN 46 18.037 -19.629 -9.259 315 HB2 ASN 46 HB2 ASN 46 18.577 -19.304 -12.217 316 HB3 ASN 46 HB1 ASN 46 19.883 -19.830 -11.105 317 HD21 ASN 46 HD21 ASN 46 18.304 -21.202 -13.346 318 HD22 ASN 46 HD22 ASN 46 17.756 -22.677 -12.642 319 H THR 47 HN THR 47 18.207 -16.610 -11.149 320 HA THR 47 HA THR 47 20.737 -16.009 -9.825 321 HB THR 47 HB THR 47 19.127 -14.348 -11.818 322 HG1 THR 47 HG1 THR 47 19.980 -16.204 -12.732 323 HG21 THR 47 HG21 THR 47 21.825 -13.994 -10.397 324 HG22 THR 47 HG22 THR 47 20.455 -12.826 -10.531 325 HG23 THR 47 HG23 THR 47 21.477 -13.190 -11.974 326 H GLY 48 HN GLY 48 17.330 -14.830 -10.057 327 HA2 GLY 48 HA2 GLY 48 17.847 -12.689 -8.259 328 HA3 GLY 48 HA1 GLY 48 16.239 -13.351 -8.781 329 H CYS 49 HN CYS 49 16.632 -16.100 -7.884 330 HA CYS 49 HA CYS 49 17.189 -15.804 -5.051 331 HB2 CYS 49 HB2 CYS 49 14.866 -17.151 -4.750 332 HB3 CYS 49 HB1 CYS 49 14.948 -15.371 -4.632 333 HA PRO 50 HA PRO 50 18.618 -19.639 -7.312 334 HB2 PRO 50 HB2 PRO 50 20.689 -19.766 -5.294 335 HB3 PRO 50 HB1 PRO 50 20.877 -19.290 -7.036 336 HG2 PRO 50 HG2 PRO 50 20.572 -17.546 -4.573 337 HG3 PRO 50 HG1 PRO 50 21.405 -17.196 -6.142 338 HD2 PRO 50 HD2 PRO 50 19.008 -16.062 -5.515 339 HD3 PRO 50 HD1 PRO 50 19.410 -16.539 -7.208 Start of MODEL 20 1 H1 SER 1 HT1 SER 1 11.774 -28.888 4.707 2 H2 SER 1 HT2 SER 1 10.890 -30.231 4.156 3 H3 SER 1 HT3 SER 1 11.817 -30.349 5.575 4 HA SER 1 HA SER 1 9.270 -28.984 5.120 5 HB2 SER 1 HB2 SER 1 9.470 -31.361 6.133 6 HB3 SER 1 HB1 SER 1 10.282 -30.577 7.547 7 HG SER 1 HG SER 1 8.460 -29.516 8.017 8 H SER 2 HN SER 2 10.663 -26.852 5.041 9 HA SER 2 HA SER 2 10.469 -25.753 7.681 10 HB2 SER 2 HB2 SER 2 12.784 -24.835 7.778 11 HB3 SER 2 HB1 SER 2 12.872 -26.639 7.691 12 HG SER 2 HG SER 2 12.730 -25.515 5.230 13 H THR 3 HN THR 3 10.751 -23.302 7.558 14 HA THR 3 HA THR 3 9.633 -22.472 5.052 15 HB THR 3 HB THR 3 10.503 -20.787 7.443 16 HG1 THR 3 HG1 THR 3 7.928 -20.871 7.245 17 HG21 THR 3 HG21 THR 3 8.987 -19.080 6.412 18 HG22 THR 3 HG22 THR 3 8.681 -20.196 5.029 19 HG23 THR 3 HG23 THR 3 10.333 -19.525 5.299 20 HA PRO 4 HA PRO 4 13.597 -21.683 3.310 21 HB2 PRO 4 HB2 PRO 4 12.707 -20.153 1.166 22 HB3 PRO 4 HB1 PRO 4 12.656 -21.967 1.209 23 HG2 PRO 4 HG2 PRO 4 10.443 -19.945 1.773 24 HG3 PRO 4 HG1 PRO 4 10.364 -21.528 0.898 25 HD2 PRO 4 HD2 PRO 4 9.510 -21.222 3.502 26 HD3 PRO 4 HD1 PRO 4 10.225 -22.767 2.882 27 H ASP 5 HN ASP 5 11.429 -18.807 2.919 28 HA ASP 5 HA ASP 5 13.046 -17.313 4.679 29 HB2 ASP 5 HB2 ASP 5 14.312 -17.374 2.362 30 HB3 ASP 5 HB1 ASP 5 12.979 -16.306 1.818 31 H GLY 6 HN GLY 6 12.112 -14.989 2.654 32 HA2 GLY 6 HA2 GLY 6 9.309 -15.146 2.758 33 HA3 GLY 6 HA1 GLY 6 10.003 -14.108 4.083 34 H THR 7 HN THR 7 12.409 -13.389 2.460 35 HA THR 7 HA THR 7 11.028 -11.406 0.784 36 HB THR 7 HB THR 7 13.901 -11.536 1.840 37 HG1 THR 7 HG1 THR 7 12.597 -9.299 2.370 38 HG21 THR 7 HG21 THR 7 12.504 -9.700 -0.186 39 HG22 THR 7 HG22 THR 7 14.083 -10.559 -0.340 40 HG23 THR 7 HG23 THR 7 13.929 -9.142 0.768 41 H TRP 8 HN TRP 8 13.333 -14.068 0.885 42 HA TRP 8 HA TRP 8 14.326 -13.790 -1.688 43 HB2 TRP 8 HB2 TRP 8 15.554 -15.447 -0.654 44 HB3 TRP 8 HB1 TRP 8 14.208 -15.893 0.411 45 HD1 TRP 8 HD1 TRP 8 15.896 -16.968 -2.858 46 HE1 TRP 8 HE1 TRP 8 14.756 -19.089 -3.684 47 HE3 TRP 8 HE3 TRP 8 11.946 -17.064 0.329 48 HZ2 TRP 8 HZ2 TRP 8 12.472 -20.595 -3.052 49 HZ3 TRP 8 HZ3 TRP 8 10.316 -18.877 0.158 50 HH2 TRP 8 HH2 TRP 8 10.581 -20.628 -1.525 51 H VAL 9 HN VAL 9 11.318 -15.236 -0.352 52 HA VAL 9 HA VAL 9 10.600 -16.500 -2.789 53 HB VAL 9 HB VAL 9 9.615 -17.112 -0.555 54 HG11 VAL 9 HG11 VAL 9 9.408 -14.448 -0.128 55 HG12 VAL 9 HG12 VAL 9 8.276 -15.614 0.646 56 HG13 VAL 9 HG13 VAL 9 7.771 -14.708 -0.830 57 HG21 VAL 9 HG21 VAL 9 8.588 -17.738 -2.743 58 HG22 VAL 9 HG22 VAL 9 7.663 -16.178 -2.747 59 HG23 VAL 9 HG23 VAL 9 7.338 -17.425 -1.479 60 H LYS 10 HN LYS 10 10.409 -13.194 -1.539 61 HA LYS 10 HA LYS 10 8.269 -12.374 -3.170 62 HB2 LYS 10 HB2 LYS 10 10.699 -10.791 -2.136 63 HB3 LYS 10 HB1 LYS 10 9.325 -10.041 -3.017 64 HG2 LYS 10 HG2 LYS 10 7.750 -10.814 -1.242 65 HG3 LYS 10 HG1 LYS 10 9.119 -11.569 -0.356 66 HD2 LYS 10 HD2 LYS 10 10.203 -9.325 -0.116 67 HD3 LYS 10 HD1 LYS 10 8.838 -8.568 -1.008 68 HE2 LYS 10 HE2 LYS 10 7.249 -9.297 0.796 69 HE3 LYS 10 HE1 LYS 10 8.622 -10.072 1.691 70 HZ1 LYS 10 HZ1 LYS 10 7.767 -7.448 1.806 71 HZ2 LYS 10 HZ2 LYS 10 9.260 -7.403 0.999 72 HZ3 LYS 10 HZ3 LYS 10 9.143 -8.133 2.527 73 H CYS 11 HN CYS 11 11.637 -13.204 -3.767 74 HA CYS 11 HA CYS 11 11.780 -11.793 -6.234 75 HB2 CYS 11 HB2 CYS 11 13.964 -12.270 -5.484 76 HB3 CYS 11 HB1 CYS 11 13.473 -13.838 -4.803 77 H ARG 12 HN ARG 12 11.034 -15.113 -5.091 78 HA ARG 12 HA ARG 12 10.818 -16.293 -7.562 79 HB2 ARG 12 HB2 ARG 12 9.095 -16.741 -5.072 80 HB3 ARG 12 HB1 ARG 12 9.185 -17.836 -6.465 81 HG2 ARG 12 HG2 ARG 12 11.714 -17.082 -5.011 82 HG3 ARG 12 HG1 ARG 12 10.605 -18.303 -4.306 83 HD2 ARG 12 HD2 ARG 12 10.745 -19.624 -6.476 84 HD3 ARG 12 HD1 ARG 12 11.984 -18.428 -7.057 85 HE ARG 12 HE ARG 12 12.990 -19.180 -4.612 86 HH11 ARG 12 HH11 ARG 12 11.691 -20.960 -7.411 87 HH12 ARG 12 HH12 ARG 12 12.715 -22.341 -7.207 88 HH21 ARG 12 HH21 ARG 12 14.390 -21.071 -4.334 89 HH22 ARG 12 HH22 ARG 12 14.272 -22.405 -5.431 90 H HIS 13 HN HIS 13 8.495 -14.441 -5.569 91 HA HIS 13 HA HIS 13 6.393 -14.766 -7.468 92 HB2 HIS 13 HB2 HIS 13 5.746 -14.207 -5.184 93 HB3 HIS 13 HB1 HIS 13 6.836 -12.775 -5.178 94 HD2 HIS 13 HD2 HIS 13 5.624 -10.426 -5.932 95 HE1 HIS 13 HE1 HIS 13 2.103 -12.161 -7.508 96 HE2 HIS 13 HE2 HIS 13 3.295 -9.994 -6.911 97 H ASP 14 HN ASP 14 8.945 -12.294 -6.866 98 HA ASP 14 HA ASP 14 7.914 -10.350 -8.584 99 HB2 ASP 14 HB2 ASP 14 9.977 -10.126 -7.012 100 HB3 ASP 14 HB1 ASP 14 10.905 -10.951 -8.306 101 H CYS 15 HN CYS 15 10.307 -13.031 -9.276 102 HA CYS 15 HA CYS 15 10.343 -12.327 -12.045 103 HB2 CYS 15 HB2 CYS 15 11.129 -14.956 -10.636 104 HB3 CYS 15 HB1 CYS 15 11.399 -14.624 -12.376 105 H PHE 16 HN PHE 16 8.303 -14.273 -9.938 106 HA PHE 16 HA PHE 16 7.242 -15.918 -11.936 107 HB2 PHE 16 HB2 PHE 16 6.793 -16.271 -9.508 108 HB3 PHE 16 HB1 PHE 16 5.819 -14.766 -9.491 109 HD1 PHE 16 HD1 PHE 16 6.075 -17.855 -11.585 110 HD2 PHE 16 HD2 PHE 16 3.610 -15.089 -9.496 111 HE1 PHE 16 HE1 PHE 16 4.088 -19.151 -12.192 112 HE2 PHE 16 HE2 PHE 16 1.630 -16.396 -10.113 113 HZ PHE 16 HZ PHE 16 1.869 -18.426 -11.459 114 H THR 17 HN THR 17 6.229 -12.681 -10.652 115 HA THR 17 HA THR 17 4.003 -12.517 -12.380 116 HB THR 17 HB THR 17 4.132 -10.055 -12.023 117 HG1 THR 17 HG1 THR 17 6.632 -10.819 -10.985 118 HG21 THR 17 HG21 THR 17 3.682 -12.104 -10.138 119 HG22 THR 17 HG22 THR 17 3.204 -10.372 -9.970 120 HG23 THR 17 HG23 THR 17 4.768 -10.948 -9.282 121 H LYS 18 HN LYS 18 7.491 -11.679 -12.739 122 HA LYS 18 HA LYS 18 7.163 -10.391 -15.212 123 HB2 LYS 18 HB2 LYS 18 9.506 -11.808 -13.884 124 HB3 LYS 18 HB1 LYS 18 9.629 -11.287 -15.598 125 HG2 LYS 18 HG2 LYS 18 10.465 -9.701 -13.641 126 HG3 LYS 18 HG1 LYS 18 9.630 -9.023 -15.078 127 HD2 LYS 18 HD2 LYS 18 7.617 -8.650 -13.897 128 HD3 LYS 18 HD1 LYS 18 8.029 -9.837 -12.617 129 HE2 LYS 18 HE2 LYS 18 8.203 -7.500 -11.770 130 HE3 LYS 18 HE1 LYS 18 9.827 -8.299 -11.775 131 HZ1 LYS 18 HZ1 LYS 18 8.843 -6.058 -13.298 132 HZ2 LYS 18 HZ2 LYS 18 9.700 -7.196 -14.221 133 HZ3 LYS 18 HZ3 LYS 18 10.425 -6.488 -12.859 134 H TYR 19 HN TYR 19 7.324 -13.768 -14.157 135 HA TYR 19 HA TYR 19 7.783 -14.757 -16.788 136 HB2 TYR 19 HB2 TYR 19 8.370 -16.344 -15.166 137 HB3 TYR 19 HB1 TYR 19 6.973 -15.952 -14.125 138 HD1 TYR 19 HD1 TYR 19 7.899 -17.492 -17.377 139 HD2 TYR 19 HD2 TYR 19 5.114 -17.232 -14.189 140 HE1 TYR 19 HE1 TYR 19 6.679 -19.404 -18.299 141 HE2 TYR 19 HE2 TYR 19 3.896 -19.141 -15.108 142 HH TYR 19 HH TYR 19 4.865 -21.290 -16.882 143 H LYS 20 HN LYS 20 4.926 -14.448 -14.588 144 HA LYS 20 HA LYS 20 3.105 -15.536 -16.380 145 HB2 LYS 20 HB2 LYS 20 2.647 -13.220 -14.428 146 HB3 LYS 20 HB1 LYS 20 1.374 -14.236 -15.172 147 HG2 LYS 20 HG2 LYS 20 3.587 -15.292 -13.365 148 HG3 LYS 20 HG1 LYS 20 1.947 -14.865 -12.818 149 HD2 LYS 20 HD2 LYS 20 2.117 -16.753 -15.157 150 HD3 LYS 20 HD1 LYS 20 2.695 -17.389 -13.580 151 HE2 LYS 20 HE2 LYS 20 0.483 -16.756 -12.539 152 HE3 LYS 20 HE1 LYS 20 -0.093 -16.183 -14.158 153 HZ1 LYS 20 HZ1 LYS 20 -0.155 -18.746 -13.123 154 HZ2 LYS 20 HZ2 LYS 20 1.005 -18.779 -14.362 155 HZ3 LYS 20 HZ3 LYS 20 -0.570 -18.236 -14.688 156 H SER 21 HN SER 21 4.550 -12.300 -16.035 157 HA SER 21 HA SER 21 2.819 -11.035 -17.872 158 HB2 SER 21 HB2 SER 21 4.455 -9.733 -16.424 159 HB3 SER 21 HB1 SER 21 5.809 -10.437 -17.394 160 HG SER 21 HG SER 21 4.315 -9.529 -19.203 161 H CYS 22 HN CYS 22 5.751 -13.081 -18.210 162 HA CYS 22 HA CYS 22 6.074 -12.560 -20.978 163 HB2 CYS 22 HB2 CYS 22 7.784 -13.679 -19.332 164 HB3 CYS 22 HB1 CYS 22 6.813 -15.164 -19.580 165 H GLN 23 HN GLN 23 4.195 -14.896 -19.022 166 HA GLN 23 HA GLN 23 3.441 -16.469 -21.251 167 HB2 GLN 23 HB2 GLN 23 2.107 -16.061 -18.509 168 HB3 GLN 23 HB1 GLN 23 1.505 -17.226 -19.739 169 HG2 GLN 23 HG2 GLN 23 4.355 -17.298 -18.541 170 HG3 GLN 23 HG1 GLN 23 2.962 -18.299 -17.959 171 HE21 GLN 23 HE21 GLN 23 1.795 -19.630 -19.664 172 HE22 GLN 23 HE22 GLN 23 2.746 -20.349 -20.917 173 H MET 24 HN MET 24 2.444 -13.344 -19.939 174 HA MET 24 HA MET 24 -0.079 -13.457 -21.347 175 HB2 MET 24 HB2 MET 24 1.359 -11.189 -19.883 176 HB3 MET 24 HB1 MET 24 -0.244 -11.033 -20.665 177 HG2 MET 24 HG2 MET 24 0.363 -13.086 -18.497 178 HG3 MET 24 HG1 MET 24 -0.236 -11.445 -18.152 179 HE1 MET 24 HE1 MET 24 -2.223 -15.167 -19.786 180 HE2 MET 24 HE2 MET 24 -1.655 -14.980 -18.091 181 HE3 MET 24 HE3 MET 24 -0.503 -14.765 -19.452 182 H SER 25 HN SER 25 3.236 -12.752 -21.936 183 HA SER 25 HA SER 25 2.826 -10.730 -23.869 184 HB2 SER 25 HB2 SER 25 5.129 -12.759 -23.622 185 HB3 SER 25 HB1 SER 25 5.132 -11.317 -24.716 186 HG SER 25 HG SER 25 4.573 -11.001 -21.979 187 H ASP 26 HN ASP 26 3.204 -11.037 -26.263 188 HA ASP 26 HA ASP 26 1.558 -13.226 -27.114 189 HB2 ASP 26 HB2 ASP 26 3.079 -11.048 -28.638 190 HB3 ASP 26 HB1 ASP 26 2.113 -12.328 -29.455 191 H SER 27 HN SER 27 4.680 -13.089 -26.072 192 HA SER 27 HA SER 27 5.875 -14.520 -28.259 193 HB2 SER 27 HB2 SER 27 6.865 -14.087 -25.370 194 HB3 SER 27 HB1 SER 27 7.835 -14.845 -26.697 195 HG SER 27 HG SER 27 8.407 -12.801 -26.778 196 H CYS 28 HN CYS 28 3.685 -15.152 -25.742 197 HA CYS 28 HA CYS 28 4.630 -17.877 -25.404 198 HB2 CYS 28 HB2 CYS 28 3.673 -16.486 -23.441 199 HB3 CYS 28 HB1 CYS 28 2.096 -16.560 -24.292 200 H HIS 29 HN HIS 29 4.324 -18.098 -27.872 201 HA HIS 29 HA HIS 29 1.486 -18.659 -28.375 202 HB2 HIS 29 HB2 HIS 29 2.093 -18.510 -30.840 203 HB3 HIS 29 HB1 HIS 29 2.256 -16.944 -29.975 204 HD2 HIS 29 HD2 HIS 29 4.976 -16.087 -29.554 205 HE1 HIS 29 HE1 HIS 29 6.572 -18.914 -32.254 206 HE2 HIS 29 HE2 HIS 29 7.032 -16.822 -30.887 207 H ASP 30 HN ASP 30 4.877 -19.723 -28.485 208 HA ASP 30 HA ASP 30 3.914 -22.329 -29.367 209 HB2 ASP 30 HB2 ASP 30 6.691 -21.030 -29.397 210 HB3 ASP 30 HB1 ASP 30 6.498 -22.816 -29.506 211 H GLU 31 HN GLU 31 4.574 -24.203 -28.114 212 HA GLU 31 HA GLU 31 4.421 -23.698 -25.362 213 HB2 GLU 31 HB2 GLU 31 5.336 -26.200 -26.896 214 HB3 GLU 31 HB1 GLU 31 5.153 -26.145 -25.104 215 HG2 GLU 31 HG2 GLU 31 2.718 -25.663 -25.310 216 HG3 GLU 31 HG1 GLU 31 2.868 -25.595 -27.112 217 H GLN 32 HN GLN 32 7.148 -24.313 -27.640 218 HA GLN 32 HA GLN 32 9.081 -24.543 -25.596 219 HB2 GLN 32 HB2 GLN 32 9.442 -25.251 -28.002 220 HB3 GLN 32 HB1 GLN 32 9.456 -23.519 -28.449 221 HG2 GLN 32 HG2 GLN 32 11.456 -23.113 -27.040 222 HG3 GLN 32 HG1 GLN 32 11.426 -24.835 -26.485 223 HE21 GLN 32 HE21 GLN 32 13.741 -24.196 -27.636 224 HE22 GLN 32 HE22 GLN 32 13.867 -24.776 -29.260 225 H SER 33 HN SER 33 7.841 -21.799 -27.607 226 HA SER 33 HA SER 33 9.655 -19.923 -26.561 227 HB2 SER 33 HB2 SER 33 6.789 -19.482 -27.608 228 HB3 SER 33 HB1 SER 33 7.973 -18.157 -27.265 229 HG SER 33 HG SER 33 8.432 -18.508 -29.265 230 H CYS 34 HN CYS 34 6.383 -21.058 -25.525 231 HA CYS 34 HA CYS 34 6.207 -19.176 -23.417 232 HB2 CYS 34 HB2 CYS 34 4.938 -21.967 -23.711 233 HB3 CYS 34 HB1 CYS 34 4.521 -20.793 -22.414 234 H HIS 35 HN HIS 35 7.657 -22.444 -23.820 235 HA HIS 35 HA HIS 35 8.112 -22.873 -21.070 236 HB2 HIS 35 HB2 HIS 35 8.393 -24.735 -22.690 237 HB3 HIS 35 HB1 HIS 35 9.714 -23.827 -23.509 238 HD2 HIS 35 HD2 HIS 35 12.174 -24.625 -22.683 239 HE1 HIS 35 HE1 HIS 35 11.028 -26.107 -18.890 240 HE2 HIS 35 HE2 HIS 35 12.940 -25.802 -20.537 241 H GLN 36 HN GLN 36 9.876 -21.090 -23.645 242 HA GLN 36 HA GLN 36 12.249 -20.721 -22.214 243 HB2 GLN 36 HB2 GLN 36 10.839 -18.910 -24.223 244 HB3 GLN 36 HB1 GLN 36 12.461 -18.557 -23.559 245 HG2 GLN 36 HG2 GLN 36 11.877 -21.243 -24.907 246 HG3 GLN 36 HG1 GLN 36 12.306 -19.774 -25.872 247 HE21 GLN 36 HE21 GLN 36 13.480 -22.272 -23.719 248 HE22 GLN 36 HE22 GLN 36 15.127 -21.768 -23.670 249 H CYS 37 HN CYS 37 9.075 -19.110 -22.100 250 HA CYS 37 HA CYS 37 9.917 -16.909 -20.579 251 HB2 CYS 37 HB2 CYS 37 7.241 -18.388 -20.626 252 HB3 CYS 37 HB1 CYS 37 7.520 -16.886 -19.713 253 H HIS 38 HN HIS 38 8.932 -20.215 -19.784 254 HA HIS 38 HA HIS 38 8.968 -19.725 -16.985 255 HB2 HIS 38 HB2 HIS 38 7.656 -21.623 -18.028 256 HB3 HIS 38 HB1 HIS 38 9.228 -22.389 -18.463 257 HD2 HIS 38 HD2 HIS 38 10.779 -23.265 -16.199 258 HE1 HIS 38 HE1 HIS 38 7.430 -23.138 -13.611 259 HE2 HIS 38 HE2 HIS 38 9.822 -23.956 -13.916 260 H VAL 39 HN VAL 39 11.203 -20.878 -19.470 261 HA VAL 39 HA VAL 39 13.154 -21.779 -17.647 262 HB VAL 39 HB VAL 39 13.343 -20.751 -20.504 263 HG11 VAL 39 HG11 VAL 39 15.667 -21.934 -20.319 264 HG12 VAL 39 HG12 VAL 39 15.453 -21.794 -18.533 265 HG13 VAL 39 HG13 VAL 39 15.499 -20.307 -19.557 266 HG21 VAL 39 HG21 VAL 39 12.406 -22.799 -20.837 267 HG22 VAL 39 HG22 VAL 39 12.690 -23.306 -19.125 268 HG23 VAL 39 HG23 VAL 39 14.006 -23.471 -20.352 269 H LYS 40 HN LYS 40 12.345 -18.557 -19.103 270 HA LYS 40 HA LYS 40 14.795 -17.420 -18.159 271 HB2 LYS 40 HB2 LYS 40 14.027 -15.364 -18.963 272 HB3 LYS 40 HB1 LYS 40 13.012 -16.473 -19.942 273 HG2 LYS 40 HG2 LYS 40 11.411 -16.231 -17.753 274 HG3 LYS 40 HG1 LYS 40 12.255 -14.656 -17.665 275 HD2 LYS 40 HD2 LYS 40 11.450 -15.268 -20.417 276 HD3 LYS 40 HD1 LYS 40 10.049 -15.379 -19.302 277 HE2 LYS 40 HE2 LYS 40 10.184 -13.099 -18.685 278 HE3 LYS 40 HE1 LYS 40 11.939 -12.979 -19.112 279 HZ1 LYS 40 HZ1 LYS 40 9.924 -13.552 -21.190 280 HZ2 LYS 40 HZ2 LYS 40 11.457 -12.830 -21.324 281 HZ3 LYS 40 HZ3 LYS 40 10.166 -11.965 -20.636 282 H HIS 41 HN HIS 41 11.621 -18.195 -16.846 283 HA HIS 41 HA HIS 41 11.865 -16.500 -14.588 284 HB2 HIS 41 HB2 HIS 41 9.659 -17.413 -15.160 285 HB3 HIS 41 HB1 HIS 41 10.284 -19.080 -15.040 286 HD2 HIS 41 HD2 HIS 41 9.268 -16.082 -12.624 287 HE1 HIS 41 HE1 HIS 41 9.661 -19.641 -10.406 288 HE2 HIS 41 HE2 HIS 41 8.959 -17.203 -10.348 289 H THR 42 HN THR 42 12.736 -19.861 -15.445 290 HA THR 42 HA THR 42 13.498 -20.618 -12.882 291 HB THR 42 HB THR 42 14.531 -21.492 -15.631 292 HG1 THR 42 HG1 THR 42 12.306 -21.879 -14.922 293 HG21 THR 42 HG21 THR 42 16.283 -22.187 -14.276 294 HG22 THR 42 HG22 THR 42 15.156 -23.571 -14.040 295 HG23 THR 42 HG23 THR 42 15.264 -22.272 -12.796 296 H ASP 43 HN ASP 43 15.334 -19.065 -15.618 297 HA ASP 43 HA ASP 43 17.754 -19.023 -14.110 298 HB2 ASP 43 HB2 ASP 43 16.845 -17.414 -16.561 299 HB3 ASP 43 HB1 ASP 43 18.483 -17.251 -15.829 300 H CYS 44 HN CYS 44 14.943 -16.867 -14.490 301 HA CYS 44 HA CYS 44 16.174 -14.585 -13.357 302 HB2 CYS 44 HB2 CYS 44 13.915 -14.604 -14.643 303 HB3 CYS 44 HB1 CYS 44 13.202 -15.328 -13.166 304 H VAL 45 HN VAL 45 14.457 -17.427 -12.147 305 HA VAL 45 HA VAL 45 14.401 -16.408 -9.500 306 HB VAL 45 HB VAL 45 13.727 -18.978 -10.874 307 HG11 VAL 45 HG11 VAL 45 15.198 -19.795 -9.084 308 HG12 VAL 45 HG12 VAL 45 13.487 -20.062 -8.563 309 HG13 VAL 45 HG13 VAL 45 14.427 -18.688 -7.879 310 HG21 VAL 45 HG21 VAL 45 12.388 -17.043 -8.893 311 HG22 VAL 45 HG22 VAL 45 11.657 -18.619 -9.376 312 HG23 VAL 45 HG23 VAL 45 11.959 -17.344 -10.621 313 H ASN 46 HN ASN 46 16.446 -18.556 -11.446 314 HA ASN 46 HA ASN 46 17.960 -19.496 -9.290 315 HB2 ASN 46 HB2 ASN 46 18.462 -19.154 -12.252 316 HB3 ASN 46 HB1 ASN 46 19.795 -19.656 -11.159 317 HD21 ASN 46 HD21 ASN 46 18.227 -21.059 -13.380 318 HD22 ASN 46 HD22 ASN 46 17.711 -22.543 -12.670 319 H THR 47 HN THR 47 18.074 -16.461 -11.152 320 HA THR 47 HA THR 47 20.613 -15.846 -9.858 321 HB THR 47 HB THR 47 18.959 -14.188 -11.816 322 HG1 THR 47 HG1 THR 47 19.806 -15.995 -12.787 323 HG21 THR 47 HG21 THR 47 20.290 -12.671 -10.518 324 HG22 THR 47 HG22 THR 47 21.278 -12.991 -11.995 325 HG23 THR 47 HG23 THR 47 21.681 -13.819 -10.443 326 H GLY 48 HN GLY 48 17.193 -14.695 -10.040 327 HA2 GLY 48 HA2 GLY 48 17.712 -12.566 -8.228 328 HA3 GLY 48 HA1 GLY 48 16.104 -13.239 -8.736 329 H CYS 49 HN CYS 49 16.532 -15.989 -7.866 330 HA CYS 49 HA CYS 49 17.126 -15.719 -5.038 331 HB2 CYS 49 HB2 CYS 49 14.815 -17.072 -4.709 332 HB3 CYS 49 HB1 CYS 49 14.889 -15.291 -4.587 333 HA PRO 50 HA PRO 50 18.544 -19.517 -7.361 334 HB2 PRO 50 HB2 PRO 50 20.613 -19.666 -5.335 335 HB3 PRO 50 HB1 PRO 50 20.804 -19.189 -7.077 336 HG2 PRO 50 HG2 PRO 50 20.517 -17.448 -4.613 337 HG3 PRO 50 HG1 PRO 50 21.330 -17.093 -6.194 338 HD2 PRO 50 HD2 PRO 50 18.937 -15.965 -5.526 339 HD3 PRO 50 HD1 PRO 50 19.323 -16.424 -7.228
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