NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
628032 | 6ge2 | 34266 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 1 H1 HIS 1 -4.505 11.242 0.524 2 H2 HIS 1 H2 HIS 1 -3.523 9.817 0.296 3 H3 HIS 1 H3 HIS 1 -4.654 10.303 -0.924 4 HA HIS 1 HA HIS 1 -5.570 8.415 0.315 5 HB2 HIS 1 HB2 HIS 1 -4.308 8.766 2.434 6 HB3 HIS 1 HB3 HIS 1 -5.209 10.263 2.743 7 HD1 HIS 1 HD1 HIS 1 -6.377 6.708 1.942 8 HD2 HIS 1 HD2 HIS 1 -6.820 9.787 4.767 9 HE1 HIS 1 HE1 HIS 1 -8.052 5.846 3.610 10 H AIB 2 H AIB 2 -7.969 8.307 0.731 11 HB11 AIB 2 H31 AIB 2 -11.467 9.241 0.602 12 HB12 AIB 2 H32 AIB 2 -10.385 7.972 -0.038 13 HB13 AIB 2 H33 AIB 2 -10.336 8.397 1.694 14 HB21 AIB 2 H21 AIB 2 -10.560 10.621 -1.292 15 HB22 AIB 2 H22 AIB 2 -8.886 11.224 -1.285 16 HB23 AIB 2 H23 AIB 2 -9.225 9.539 -1.773 17 H GLN 3 H GLN 3 -8.851 9.908 2.924 18 HA GLN 3 HA GLN 3 -9.277 11.332 4.691 19 HB2 GLN 3 H42 GLN 3 -8.920 13.584 2.628 20 HB3 GLN 3 H43 GLN 3 -8.863 13.754 4.395 21 HG2 GLN 3 H32 GLN 3 -6.829 12.281 4.496 22 HG3 GLN 3 H33 GLN 3 -6.875 12.110 2.728 23 HE21 GLN 3 H61 GLN 3 -5.664 15.701 4.432 24 HE22 GLN 3 H62 GLN 3 -6.504 14.561 5.409 25 H GLY 4 H GLY 4 -11.627 10.215 3.152 26 HA2 GLY 4 HA2 GLY 4 -13.912 10.679 2.932 27 HA3 GLY 4 HA3 GLY 4 -13.668 11.658 4.401 28 H THR 5 H THR 5 -12.906 11.834 0.822 29 HA THR 5 HA THR 5 -12.265 14.414 0.586 30 HB THR 5 HB THR 5 -14.232 12.990 -1.287 31 HG1 THR 5 HG1 THR 5 -12.158 12.359 -2.270 32 HG21 THR 5 HG21 THR 5 -13.194 14.472 -3.073 33 HG22 THR 5 HG22 THR 5 -14.079 15.434 -1.862 34 HG23 THR 5 HG23 THR 5 -12.293 15.355 -1.808 35 H PHE 6 H PHE 6 -15.730 13.350 1.106 36 HA PHE 6 HA PHE 6 -16.772 15.933 0.469 37 HB2 PHE 6 HB2 PHE 6 -18.323 14.050 0.498 38 HB3 PHE 6 HB3 PHE 6 -17.934 13.675 2.189 39 HD1 PHE 6 HD1 PHE 6 -19.513 14.444 3.809 40 HD2 PHE 6 HD2 PHE 6 -19.101 16.651 0.128 41 HE1 PHE 6 HE1 PHE 6 -21.317 15.977 4.514 42 HE2 PHE 6 HE2 PHE 6 -20.798 18.272 0.919 43 HZ PHE 6 HZ PHE 6 -21.926 17.924 3.105 44 H THR 7 H THR 7 -16.084 14.409 3.772 45 HA THR 7 HA THR 7 -16.730 16.888 5.042 46 HB THR 7 HB THR 7 -16.753 14.737 6.298 47 HG1 THR 7 HG1 THR 7 -15.149 16.814 7.447 48 HG21 THR 7 HG21 THR 7 -14.579 13.707 5.547 49 HG22 THR 7 HG22 THR 7 -13.668 15.029 6.330 50 HG23 THR 7 HG23 THR 7 -14.632 13.903 7.317 51 H SER 8 H SER 8 -13.577 15.542 3.759 52 HA SER 8 HA SER 8 -12.016 17.629 4.957 53 HB2 SER 8 HB2 SER 8 -10.913 15.659 3.998 54 HB3 SER 8 HB3 SER 8 -11.487 16.069 2.359 55 HG SER 8 HG SER 8 -10.143 18.040 2.596 56 H ASP 9 H ASP 9 -13.998 17.444 1.888 57 HA ASP 9 HA ASP 9 -12.978 19.987 0.977 58 HB2 ASP 9 HB2 ASP 9 -15.483 18.440 0.136 59 HB3 ASP 9 HB3 ASP 9 -14.967 20.000 -0.564 60 H LEU 10 H LEU 10 -15.784 18.981 3.143 61 HA LEU 10 HA LEU 10 -16.806 21.647 3.302 62 HB2 LEU 10 HB2 LEU 10 -16.703 19.508 5.503 63 HB3 LEU 10 HB3 LEU 10 -17.499 21.085 5.698 64 HG LEU 10 HG LEU 10 -18.326 18.980 3.611 65 HD11 LEU 10 HD11 LEU 10 -20.213 18.464 5.176 66 HD12 LEU 10 HD12 LEU 10 -18.650 18.127 5.950 67 HD13 LEU 10 HD13 LEU 10 -19.551 19.602 6.375 68 HD21 LEU 10 HD21 LEU 10 -20.463 20.321 3.516 69 HD22 LEU 10 HD22 LEU 10 -19.752 21.516 4.637 70 HD23 LEU 10 HD23 LEU 10 -19.085 21.309 2.993 71 H SER 11 H SER 11 -14.313 19.885 5.350 72 HA SER 11 HA SER 11 -13.700 22.058 6.968 73 HB2 SER 11 HB2 SER 11 -11.727 19.958 5.897 74 HB3 SER 11 HB3 SER 11 -11.534 20.913 7.391 75 HG SER 11 HG SER 11 -12.523 18.761 7.787 76 H LYS 12 H LYS 12 -12.477 21.337 3.634 77 HA LYS 12 HA LYS 12 -10.436 23.425 3.746 78 HB2 LYS 12 HB2 LYS 12 -11.834 22.044 1.378 79 HB3 LYS 12 HB3 LYS 12 -10.622 23.320 1.173 80 HG2 LYS 12 HG2 LYS 12 -8.884 22.041 2.217 81 HG3 LYS 12 HG3 LYS 12 -9.990 20.749 2.744 82 HD2 LYS 12 HD2 LYS 12 -10.438 20.046 0.447 83 HD3 LYS 12 HD3 LYS 12 -9.583 21.454 -0.230 84 HE2 LYS 12 HE2 LYS 12 -8.208 19.243 1.422 85 HE3 LYS 12 HE3 LYS 12 -8.345 19.250 -0.353 86 HZ1 LYS 12 HZ1 LYS 12 -6.843 21.301 1.317 87 HZ2 LYS 12 HZ2 LYS 12 -6.175 20.139 0.239 88 HZ3 LYS 12 HZ3 LYS 12 -7.128 21.434 -0.394 89 H GLN 13 H GLN 13 -13.830 23.123 2.440 90 HA GLN 13 HA GLN 13 -13.924 25.818 1.512 91 HB2 GLN 13 HB2 GLN 13 -16.119 23.815 2.278 92 HB3 GLN 13 HB3 GLN 13 -16.493 25.435 1.655 93 HG2 GLN 13 HG2 GLN 13 -15.207 24.988 -0.431 94 HG3 GLN 13 HG3 GLN 13 -14.744 23.383 0.130 95 HE21 GLN 13 HE21 GLN 13 -18.015 21.918 -0.376 96 HE22 GLN 13 HE22 GLN 13 -16.622 21.789 0.633 97 H LYS 14 H LYS 14 -14.536 24.477 4.837 98 HA LYS 14 HA LYS 14 -15.630 26.998 5.746 99 HB2 LYS 14 HB2 LYS 14 -14.108 24.967 7.497 100 HB3 LYS 14 HB3 LYS 14 -15.062 26.382 8.015 101 HG2 LYS 14 HG2 LYS 14 -17.091 25.243 6.810 102 HG3 LYS 14 HG3 LYS 14 -16.056 23.791 6.713 103 HD2 LYS 14 HD2 LYS 14 -15.701 24.167 9.332 104 HD3 LYS 14 HD3 LYS 14 -17.088 25.272 9.182 105 HE2 LYS 14 HE2 LYS 14 -18.040 23.112 9.810 106 HE3 LYS 14 HE3 LYS 14 -18.367 23.269 8.062 107 HZ1 LYS 14 HZ1 LYS 14 -15.843 21.960 8.507 108 H ASP 15 H ASP 15 -12.321 25.412 5.922 109 HA ASP 15 HA ASP 15 -11.004 27.453 7.161 110 HB2 ASP 15 H32 ASP 15 -9.896 25.324 6.396 111 HB3 ASP 15 H33 ASP 15 -9.843 25.930 4.735 112 H GLU 16 H GLU 16 -11.741 27.205 3.602 113 HA GLU 16 HA GLU 16 -10.377 29.574 2.833 114 HB2 GLU 16 HB2 GLU 16 -12.868 28.247 1.591 115 HB3 GLU 16 HB3 GLU 16 -11.994 29.616 0.863 116 HG2 GLU 16 HG2 GLU 16 -9.883 28.239 0.761 117 HG3 GLU 16 HG3 GLU 16 -10.774 26.830 1.383 118 H GLN 17 H GLN 17 -13.911 29.110 3.757 119 HA GLN 17 HA GLN 17 -14.482 31.908 3.361 120 HB2 GLN 17 H42 GLN 17 -16.243 30.119 3.388 121 HB3 GLN 17 H43 GLN 17 -15.946 29.850 5.126 122 HG2 GLN 17 H32 GLN 17 -16.603 32.284 5.554 123 HG3 GLN 17 H33 GLN 17 -16.950 32.454 3.811 124 HE21 GLN 17 H61 GLN 17 -20.203 31.784 5.449 125 HE22 GLN 17 H62 GLN 17 -19.058 33.075 5.406 126 H ARG 18 H ARG 18 -13.847 29.966 6.357 127 HA ARG 18 HA ARG 18 -13.876 32.042 8.242 128 HB2 ARG 18 H42 ARG 18 -12.161 29.485 8.001 129 HB3 ARG 18 H43 ARG 18 -12.046 30.519 9.426 130 HG2 ARG 18 H33 ARG 18 -14.420 30.223 9.957 131 HG3 ARG 18 H32 ARG 18 -14.710 29.308 8.449 132 HD2 ARG 18 H52 ARG 18 -13.189 27.521 9.218 133 HD3 ARG 18 H53 ARG 18 -12.948 28.401 10.777 134 HE ARG 18 H10 ARG 18 -15.738 28.155 10.453 135 HH11 ARG 18 H71 ARG 18 -16.902 26.516 11.464 136 HH12 ARG 18 H72 ARG 18 -16.124 25.049 11.945 137 HH21 ARG 18 H81 ARG 18 -12.945 25.964 10.824 138 HH22 ARG 18 H82 ARG 18 -13.916 24.716 11.586 139 H ALA 19 H ALA 19 -11.339 31.329 5.795 140 HA ALA 19 HA ALA 19 -9.392 33.024 7.195 141 HB1 ALA 19 H21 ALA 19 -8.556 31.002 5.997 142 HB2 ALA 19 H22 ALA 19 -9.207 31.620 4.457 143 HB3 ALA 19 H23 ALA 19 -7.873 32.482 5.272 144 H LYS 20 H LYS 20 -11.160 33.067 3.942 145 HA LYS 20 HA LYS 20 -10.167 35.630 3.258 146 HB2 LYS 20 H42 LYS 20 -11.353 34.205 1.595 147 HB3 LYS 20 H43 LYS 20 -12.892 34.418 2.490 148 HG2 LYS 20 H23 LYS 20 -12.823 36.875 2.033 149 HG3 LYS 20 H22 LYS 20 -11.208 36.730 1.303 150 HD2 LYS 20 H33 LYS 20 -12.861 36.968 -0.476 151 HD3 LYS 20 H32 LYS 20 -12.149 35.332 -0.565 152 HE2 LYS 20 H53 LYS 20 -14.170 34.344 0.471 153 HE3 LYS 20 H52 LYS 20 -14.869 35.968 0.736 154 HZ1 LYS 20 H71 LYS 20 -15.824 34.921 -1.241 155 HZ2 LYS 20 H72 LYS 20 -14.937 36.376 -1.651 156 HZ3 LYS 20 H73 LYS 20 -14.232 34.799 -1.976 157 H LEU 21 H LEU 21 -13.062 34.572 5.211 158 HA LEU 21 HA LEU 21 -13.948 37.200 5.805 159 HB2 LEU 21 HB2 LEU 21 -13.933 34.701 7.603 160 HB3 LEU 21 HB3 LEU 21 -14.501 36.293 8.157 161 HG LEU 21 HG LEU 21 -15.769 34.717 5.849 162 HD11 LEU 21 HD11 LEU 21 -17.594 34.292 7.559 163 HD12 LEU 21 HD12 LEU 21 -16.032 33.633 8.118 164 HD13 LEU 21 HD13 LEU 21 -16.639 35.172 8.784 165 HD21 LEU 21 HD21 LEU 21 -16.260 37.134 5.543 166 HD22 LEU 21 HD22 LEU 21 -17.700 36.366 6.234 167 HD23 LEU 21 HD23 LEU 21 -16.618 37.321 7.283 168 H PHE 22 H PHE 22 -11.653 35.054 7.798 169 HA PHE 22 HA PHE 22 -11.208 36.790 9.737 170 HB2 PHE 22 HB2 PHE 22 -10.000 34.638 9.686 171 HB3 PHE 22 HB3 PHE 22 -8.979 35.187 8.354 172 HD1 PHE 22 HD1 PHE 22 -6.959 36.465 8.822 173 HD2 PHE 22 HD2 PHE 22 -9.966 36.144 11.883 174 HE1 PHE 22 HE1 PHE 22 -5.303 37.163 10.525 175 HE2 PHE 22 HE2 PHE 22 -8.320 36.885 13.574 176 HZ PHE 22 HZ PHE 22 -5.960 37.309 12.916 177 H ILE 23 H ILE 23 -9.179 36.953 6.697 178 HA ILE 23 HA ILE 23 -7.995 39.387 7.680 179 HB ILE 23 HB ILE 23 -6.912 37.725 5.986 180 HG12 ILE 23 HG12 ILE 23 -5.778 39.485 4.596 181 HG13 ILE 23 HG13 ILE 23 -6.864 40.704 5.298 182 HG21 ILE 23 HG21 ILE 23 -8.614 39.270 3.946 183 HG22 ILE 23 HG22 ILE 23 -7.418 37.995 3.598 184 HG23 ILE 23 HG23 ILE 23 -8.927 37.579 4.431 185 HD11 ILE 23 HD11 ILE 23 -4.883 38.893 6.865 186 HD12 ILE 23 HD12 ILE 23 -4.565 40.585 6.416 187 HD13 ILE 23 HD13 ILE 23 -5.844 40.208 7.590 188 H GLU 24 H GLU 24 -10.831 38.826 5.465 189 HA GLU 24 HA GLU 24 -10.955 41.679 4.826 190 HB2 GLU 24 HB2 GLU 24 -13.057 39.469 4.495 191 HB3 GLU 24 HB3 GLU 24 -13.290 41.173 4.016 192 HG2 GLU 24 HG2 GLU 24 -11.323 41.013 2.463 193 HG3 GLU 24 HG3 GLU 24 -11.093 39.315 2.947 194 H TRP 25 H TRP 25 -13.090 39.500 6.855 195 HA TRP 25 HA TRP 25 -14.431 41.259 8.435 196 HB2 TRP 25 HB2 TRP 25 -14.464 38.813 8.758 197 HB3 TRP 25 HB3 TRP 25 -12.771 38.817 9.331 198 HD1 TRP 25 HD1 TRP 25 -16.068 40.433 10.435 199 HE1 TRP 25 HE1 TRP 25 -16.201 40.254 12.979 200 HE3 TRP 25 HE3 TRP 25 -11.350 38.580 11.392 201 HZ2 TRP 25 HZ2 TRP 25 -14.679 39.344 15.071 202 HZ3 TRP 25 HZ3 TRP 25 -10.709 38.201 13.769 203 HH2 TRP 25 HH2 TRP 25 -12.380 38.478 15.579 204 H LEU 26 H LEU 26 -10.826 40.543 8.834 205 HA LEU 26 HA LEU 26 -10.631 42.280 11.132 206 HB2 LEU 26 HB2 LEU 26 -8.459 41.489 9.147 207 HB3 LEU 26 HB3 LEU 26 -8.227 42.624 10.493 208 HG LEU 26 HG LEU 26 -8.868 39.634 10.825 209 HD11 LEU 26 HD11 LEU 26 -6.512 40.213 10.180 210 HD12 LEU 26 HD12 LEU 26 -6.403 41.359 11.554 211 HD13 LEU 26 HD13 LEU 26 -6.596 39.621 11.857 212 HD21 LEU 26 HD21 LEU 26 -10.040 40.710 12.645 213 HD22 LEU 26 HD22 LEU 26 -8.536 40.025 13.274 214 HD23 LEU 26 HD23 LEU 26 -8.638 41.786 12.970 215 H AIB 27 H ALA 27 -9.859 42.744 7.576 216 HB11 AIB 27 H21 ALA 27 -7.961 45.061 7.665 217 HB12 AIB 27 H22 ALA 27 -8.802 46.606 7.345 218 HB13 AIB 27 H23 ALA 27 -8.911 45.833 8.952 219 HB21 AIB 27 H31 ALA 27 -9.138 44.022 5.601 220 HB22 AIB 27 H32 ALA 27 -10.908 44.123 5.457 221 HB23 AIB 27 H33 ALA 27 -9.928 45.597 5.333 222 H ALA 28 H ALA 28 -12.609 43.985 7.535 223 HA ALA 28 HA ALA 28 -13.999 46.443 7.151 224 HB1 ALA 28 H21 ALA 28 -14.868 43.880 8.664 225 HB2 ALA 28 H22 ALA 28 -15.950 45.226 8.249 226 HB3 ALA 28 H23 ALA 28 -15.174 44.259 6.961 227 H GLY 29 H GLY 29 -13.150 44.607 10.143 228 HA2 GLY 29 HA2 GLY 29 -12.075 46.317 11.790 229 HA3 GLY 29 HA3 GLY 29 -13.695 47.043 11.790 230 H GLY 30 H GLY 30 -12.275 43.682 11.928 231 HA2 GLY 30 HA2 GLY 30 -13.264 41.825 12.979 232 HA3 GLY 30 HA3 GLY 30 -12.246 42.665 14.128 233 HA PRO 31 HA PRO 31 -16.323 41.778 16.126 234 HB2 PRO 31 HB2 PRO 31 -14.884 42.879 18.566 235 HB3 PRO 31 HB3 PRO 31 -15.897 41.421 18.437 236 HG2 PRO 31 HG2 PRO 31 -13.141 41.193 18.474 237 HG3 PRO 31 HG3 PRO 31 -14.128 40.177 17.381 238 HD2 PRO 31 HD2 PRO 31 -12.506 42.651 16.591 239 HD3 PRO 31 HD3 PRO 31 -12.738 41.091 15.756 240 HA PRO 32 HA PRO 32 -16.757 46.511 17.609 241 HB2 PRO 32 HB2 PRO 32 -14.949 47.383 15.280 242 HB3 PRO 32 HB3 PRO 32 -15.386 48.339 16.735 243 HG2 PRO 32 HG2 PRO 32 -13.013 47.071 16.771 244 HG3 PRO 32 HG3 PRO 32 -14.101 46.791 18.167 245 HD2 PRO 32 HD3 PRO 32 -13.682 44.981 15.734 246 HD3 PRO 32 HD2 PRO 32 -13.686 44.536 17.482 247 H SER 33 H SER 33 -16.340 45.461 14.096 248 HA SER 33 HA SER 33 -18.480 47.138 13.197 249 HB2 SER 33 HB2 SER 33 -17.548 44.502 11.951 250 HB3 SER 33 HB3 SER 33 -18.401 45.828 11.105 251 HG SER 33 HG SER 33 -16.053 45.966 10.811 252 H AIB 34 H AIB 34 -18.712 44.252 15.182 253 HB11 AIB 34 H31 AIB 34 -22.782 43.782 15.490 254 HB12 AIB 34 H32 AIB 34 -21.707 45.094 16.038 255 HB13 AIB 34 H33 AIB 34 -22.277 45.042 14.353 256 HB21 AIB 34 H21 AIB 34 -19.510 42.009 15.906 257 HB22 AIB 34 H22 AIB 34 -20.322 43.171 16.984 258 HB23 AIB 34 H23 AIB 34 -21.267 41.907 16.158 259 H LYS 35 H LYS 35 -18.858 42.245 13.539 260 HA LYS 35 HA LYS 35 -20.872 40.820 11.837 261 HB2 LYS 35 H42 LYS 35 -18.071 41.854 11.137 262 HB3 LYS 35 H43 LYS 35 -19.034 40.768 10.102 263 HG2 LYS 35 H23 LYS 35 -20.854 42.482 9.941 264 HG3 LYS 35 H22 LYS 35 -19.958 43.556 11.044 265 HD2 LYS 35 H33 LYS 35 -18.116 43.798 9.390 266 HD3 LYS 35 H32 LYS 35 -18.935 42.665 8.277 267 HE2 LYS 35 H53 LYS 35 -20.834 44.178 7.990 268 HE3 LYS 35 H52 LYS 35 -20.228 45.289 9.247 269 HZ1 LYS 35 H71 LYS 35 -18.298 45.827 7.887 270 HZ2 LYS 35 H72 LYS 35 -18.792 44.668 6.658 271 HZ3 LYS 35 H73 LYS 35 -19.767 46.098 6.966 272 HA PRO 36 HA PRO 36 -19.420 37.767 14.446 273 HB2 PRO 36 HB2 PRO 36 -19.653 35.337 13.003 274 HB3 PRO 36 HB3 PRO 36 -21.055 36.338 13.506 275 HG2 PRO 36 HG2 PRO 36 -19.575 36.453 10.835 276 HG3 PRO 36 HG3 PRO 36 -21.333 36.180 11.063 277 HD2 PRO 36 HD2 PRO 36 -20.424 38.709 10.533 278 HD3 PRO 36 HD3 PRO 36 -21.636 38.504 11.857 279 HA PRO 37 HA PRO 37 -15.068 36.952 13.603 280 HB2 PRO 37 HB2 PRO 37 -14.442 35.047 15.525 281 HB3 PRO 37 HB3 PRO 37 -15.038 36.674 15.974 282 HG2 PRO 37 HG2 PRO 37 -16.717 34.126 15.620 283 HG3 PRO 37 HG3 PRO 37 -16.588 35.111 17.114 284 HD2 PRO 37 HD2 PRO 37 -18.629 35.523 15.326 285 HD3 PRO 37 HD3 PRO 37 -17.822 36.952 16.090 286 HA PRO 38 HA PRO 38 -14.784 33.681 10.620 287 HB2 PRO 38 HB2 PRO 38 -12.857 32.200 12.505 288 HB3 PRO 38 HB3 PRO 38 -12.743 32.341 10.723 289 HG2 PRO 38 HG2 PRO 38 -11.262 34.065 12.148 290 HG3 PRO 38 HG3 PRO 38 -12.350 34.775 10.914 291 HD2 PRO 38 HD2 PRO 38 -12.874 34.487 13.915 292 HD3 PRO 38 HD3 PRO 38 -13.035 35.980 12.907 293 H LYS 39 H LYS 39 -15.202 32.265 13.834 294 HA LYS 39 HA LYS 39 -16.994 30.353 13.041 295 HB2 LYS 39 H42 LYS 39 -15.308 30.430 15.601 296 HB3 LYS 39 H43 LYS 39 -16.533 29.195 15.214 297 HG2 LYS 39 H23 LYS 39 -15.284 28.462 13.219 298 HG3 LYS 39 H22 LYS 39 -14.088 29.766 13.418 299 HD2 LYS 39 H33 LYS 39 -13.267 28.821 15.521 300 HD3 LYS 39 H32 LYS 39 -14.553 27.585 15.546 301 HE2 LYS 39 H53 LYS 39 -13.667 26.506 13.536 302 HE3 LYS 39 H52 LYS 39 -12.442 27.773 13.300 303 HZ1 LYS 39 H71 LYS 39 -12.598 25.897 15.665 304 HZ2 LYS 39 H73 LYS 39 -11.379 27.141 15.404 305 HZ3 LYS 39 H72 LYS 39 -11.485 25.773 14.307 306 HN1 NH2 40 H11 LYS 39 -19.033 33.126 14.331 307 HN2 NH2 40 H12 LYS 39 -18.062 32.836 12.942 308 H93 EVT 101 H93 XXX 40 -12.658 22.485 9.170 309 H92 EVT 101 H92 XXX 40 -12.170 23.146 10.744 310 H103 EVT 101 H103 XXX 40 -11.612 20.244 9.857 311 H102 EVT 101 H102 XXX 40 -10.430 21.570 9.753 312 H11 EVT 101 H11 XXX 40 -11.796 20.652 12.348 313 H122 EVT 101 H122 XXX 40 -8.226 23.283 13.714 314 H123 EVT 101 H123 XXX 40 -9.696 24.013 14.406 315 H133 EVT 101 H133 XXX 40 -9.497 22.528 16.416 316 H132 EVT 101 H132 XXX 40 -8.089 23.594 16.235 317 H143 EVT 101 H143 XXX 40 -6.725 21.762 15.303 318 H142 EVT 101 H142 XXX 40 -8.136 20.691 15.201 319 H153 EVT 101 H153 XXX 40 -8.371 20.918 17.773 320 H152 EVT 101 H152 XXX 40 -6.760 21.676 17.768 321 H6 EVT 101 H6 XXX 40 -13.959 20.216 9.381 322 H163 EVT 101 H163 XXX 40 -5.799 19.573 16.739 323 H162 EVT 101 H162 XXX 40 -7.445 18.917 16.601 324 H173 EVT 101 H173 XXX 40 -7.611 19.122 19.193 325 H172 EVT 101 H172 XXX 40 -5.866 19.462 19.177 326 H183 EVT 101 H183 XXX 40 -6.182 17.094 19.675 327 H182 EVT 101 H182 XXX 40 -5.491 17.196 18.034 328 H193 EVT 101 H193 XXX 40 -7.695 16.715 17.026 329 H192 EVT 101 H192 XXX 40 -8.511 16.895 18.600 330 H203 EVT 101 H203 XXX 40 -7.447 14.843 19.434 331 H202 EVT 101 H202 XXX 40 -6.428 14.714 17.973 332 H213 EVT 101 H213 XXX 40 -8.442 14.431 16.547 333 H212 EVT 101 H212 XXX 40 -9.519 14.622 17.953 334 H223 EVT 101 H223 XXX 40 -8.684 12.545 18.979 335 H222 EVT 101 H222 XXX 40 -7.465 12.349 17.684 336 H25 EVT 101 H25 XXX 40 -9.827 22.763 11.838 337 H293 EVT 101 H293 XXX 40 -9.261 12.151 15.987 338 H292 EVT 101 H292 XXX 40 -10.522 12.392 17.227 339 H303 EVT 101 H303 XXX 40 -9.781 10.303 18.401 340 H302 EVT 101 H302 XXX 40 -8.554 10.013 17.144 341 H313 EVT 101 H313 XXX 40 -11.598 10.172 16.636 342 H312 EVT 101 H312 XXX 40 -10.675 8.666 16.859 343 H321 EVT 101 H321 XXX 40 -10.347 10.655 14.511 344 H323 EVT 101 H323 XXX 40 -11.006 9.006 14.446 345 H322 EVT 101 H322 XXX 40 -9.276 9.253 14.804 346 H353 EVT 101 H353 XXX 40 -15.753 19.663 7.856 347 H352 EVT 101 H352 XXX 40 -17.228 18.692 7.955 348 H363 EVT 101 H363 XXX 40 -15.569 18.102 9.764 349 H362 EVT 101 H362 XXX 40 -17.149 18.620 10.396 350 H37 EVT 101 H37 XXX 40 -16.288 20.838 10.997 Start of MODEL 2 1 H1 HIS 1 H1 HIS 1 -4.570 16.679 -5.820 2 H2 HIS 1 H2 HIS 1 -3.909 15.958 -7.259 3 H3 HIS 1 H3 HIS 1 -5.493 16.655 -7.285 4 HA HIS 1 HA HIS 1 -5.609 14.217 -7.214 5 HB2 HIS 1 HB2 HIS 1 -3.474 13.822 -5.946 6 HB3 HIS 1 HB3 HIS 1 -4.233 14.496 -4.481 7 HD1 HIS 1 HD1 HIS 1 -5.110 11.776 -7.016 8 HD2 HIS 1 HD2 HIS 1 -5.065 12.539 -2.883 9 HE1 HIS 1 HE1 HIS 1 -5.903 9.640 -5.911 10 H AIB 2 H AIB 2 -7.631 13.354 -6.302 11 HB11 AIB 2 H31 AIB 2 -9.572 12.316 -4.930 12 HB12 AIB 2 H32 AIB 2 -10.981 13.401 -4.917 13 HB13 AIB 2 H33 AIB 2 -10.143 13.037 -6.448 14 HB21 AIB 2 H21 AIB 2 -10.677 15.902 -5.451 15 HB22 AIB 2 H22 AIB 2 -9.054 16.568 -5.731 16 HB23 AIB 2 H23 AIB 2 -9.792 15.482 -6.933 17 H GLN 3 H GLN 3 -7.753 12.998 -3.388 18 HA GLN 3 HA GLN 3 -7.838 12.823 -1.073 19 HB2 GLN 3 H42 GLN 3 -7.954 15.894 -1.219 20 HB3 GLN 3 H43 GLN 3 -7.645 14.927 0.236 21 HG2 GLN 3 H32 GLN 3 -5.557 13.997 -0.770 22 HG3 GLN 3 H33 GLN 3 -5.872 14.909 -2.272 23 HE21 GLN 3 H61 GLN 3 -4.740 17.016 1.158 24 HE22 GLN 3 H62 GLN 3 -5.635 15.563 1.370 25 H GLY 4 H GLY 4 -10.323 12.341 -2.440 26 HA2 GLY 4 HA2 GLY 4 -12.594 12.187 -1.875 27 HA3 GLY 4 HA3 GLY 4 -12.169 12.829 -0.280 28 H THR 5 H THR 5 -13.103 13.749 -3.661 29 HA THR 5 HA THR 5 -12.405 16.438 -3.487 30 HB THR 5 HB THR 5 -14.900 15.421 -4.943 31 HG1 THR 5 HG1 THR 5 -13.314 14.819 -6.608 32 HG21 THR 5 HG21 THR 5 -12.813 17.587 -5.698 33 HG22 THR 5 HG22 THR 5 -14.286 17.178 -6.625 34 HG23 THR 5 HG23 THR 5 -14.425 17.942 -5.024 35 H PHE 6 H PHE 6 -15.438 14.810 -2.278 36 HA PHE 6 HA PHE 6 -16.749 17.347 -1.830 37 HB2 PHE 6 HB2 PHE 6 -18.041 15.251 -2.193 38 HB3 PHE 6 HB3 PHE 6 -17.457 14.605 -0.647 39 HD1 PHE 6 HD1 PHE 6 -18.320 15.525 1.496 40 HD2 PHE 6 HD2 PHE 6 -19.503 17.282 -2.251 41 HE1 PHE 6 HE1 PHE 6 -20.168 16.722 2.629 42 HE2 PHE 6 HE2 PHE 6 -21.306 18.536 -1.092 43 HZ PHE 6 HZ PHE 6 -21.626 18.268 1.357 44 H THR 7 H THR 7 -15.201 14.941 0.517 45 HA THR 7 HA THR 7 -15.704 16.671 2.716 46 HB THR 7 HB THR 7 -15.012 14.224 2.906 47 HG1 THR 7 HG1 THR 7 -14.974 15.644 4.796 48 HG21 THR 7 HG21 THR 7 -12.611 13.685 3.054 49 HG22 THR 7 HG22 THR 7 -12.967 14.323 1.428 50 HG23 THR 7 HG23 THR 7 -12.163 15.360 2.647 51 H SER 8 H SER 8 -12.978 16.496 0.307 52 HA SER 8 HA SER 8 -11.301 18.371 1.648 53 HB2 SER 8 HB2 SER 8 -10.477 17.056 -0.293 54 HB3 SER 8 HB3 SER 8 -11.652 17.866 -1.368 55 HG SER 8 HG SER 8 -9.524 18.926 -1.396 56 H ASP 9 H ASP 9 -14.073 18.758 -0.753 57 HA ASP 9 HA ASP 9 -13.799 21.588 -0.853 58 HB2 ASP 9 HB2 ASP 9 -16.295 19.850 -1.288 59 HB3 ASP 9 HB3 ASP 9 -16.270 21.614 -1.516 60 H LEU 10 H LEU 10 -15.576 19.437 1.574 61 HA LEU 10 HA LEU 10 -16.829 21.649 2.852 62 HB2 LEU 10 HB2 LEU 10 -15.593 19.217 4.267 63 HB3 LEU 10 HB3 LEU 10 -16.681 20.402 5.024 64 HG LEU 10 HG LEU 10 -17.487 18.510 2.735 65 HD11 LEU 10 HD11 LEU 10 -18.641 17.194 4.483 66 HD12 LEU 10 HD12 LEU 10 -16.915 17.310 4.890 67 HD13 LEU 10 HD13 LEU 10 -18.097 18.330 5.750 68 HD21 LEU 10 HD21 LEU 10 -19.195 20.333 4.551 69 HD22 LEU 10 HD22 LEU 10 -18.922 20.587 2.807 70 HD23 LEU 10 HD23 LEU 10 -19.830 19.166 3.361 71 H SER 11 H SER 11 -13.518 20.147 3.352 72 HA SER 11 HA SER 11 -12.813 21.962 5.406 73 HB2 SER 11 HB2 SER 11 -11.509 19.889 4.870 74 HB3 SER 11 HB3 SER 11 -10.904 20.659 3.380 75 HG SER 11 HG SER 11 -9.946 22.293 4.865 76 H LYS 12 H LYS 12 -12.662 22.334 1.795 77 HA LYS 12 HA LYS 12 -11.066 24.779 2.044 78 HB2 LYS 12 HB2 LYS 12 -12.822 23.863 -0.306 79 HB3 LYS 12 HB3 LYS 12 -11.719 25.266 -0.300 80 HG2 LYS 12 HG2 LYS 12 -9.760 23.776 0.111 81 HG3 LYS 12 HG3 LYS 12 -10.830 22.352 0.075 82 HD2 LYS 12 HD2 LYS 12 -11.506 22.927 -2.295 83 HD3 LYS 12 HD3 LYS 12 -10.386 24.319 -2.262 84 HE2 LYS 12 HE2 LYS 12 -8.456 22.771 -1.867 85 HE3 LYS 12 HE3 LYS 12 -9.571 21.379 -1.878 86 HZ1 LYS 12 HZ1 LYS 12 -8.469 21.617 -4.047 87 HZ2 LYS 12 HZ2 LYS 12 -10.176 21.893 -4.204 88 HZ3 LYS 12 HZ3 LYS 12 -9.063 23.247 -4.213 89 H GLN 13 H GLN 13 -14.578 23.972 1.631 90 HA GLN 13 HA GLN 13 -15.542 26.599 1.328 91 HB2 GLN 13 HB2 GLN 13 -16.780 24.146 2.698 92 HB3 GLN 13 HB3 GLN 13 -17.669 25.672 2.488 93 HG2 GLN 13 HG2 GLN 13 -17.638 25.504 0.074 94 HG3 GLN 13 HG3 GLN 13 -16.435 24.227 0.053 95 HE21 GLN 13 HE21 GLN 13 -20.321 23.265 1.215 96 HE22 GLN 13 HE22 GLN 13 -19.790 24.889 1.444 97 H LYS 14 H LYS 14 -14.926 24.710 4.415 98 HA LYS 14 HA LYS 14 -15.803 27.003 5.981 99 HB2 LYS 14 HB2 LYS 14 -14.067 24.706 7.064 100 HB3 LYS 14 HB3 LYS 14 -15.028 25.911 7.952 101 HG2 LYS 14 HG2 LYS 14 -17.117 24.891 6.840 102 HG3 LYS 14 HG3 LYS 14 -16.062 23.621 6.200 103 HD2 LYS 14 HD2 LYS 14 -15.300 23.586 8.902 104 HD3 LYS 14 HD3 LYS 14 -16.997 24.088 9.023 105 HE2 LYS 14 HE2 LYS 14 -16.926 21.654 9.170 106 HE3 LYS 14 HE3 LYS 14 -17.545 22.005 7.531 107 HZ1 LYS 14 HZ1 LYS 14 -14.732 21.830 7.325 108 H ASP 15 H ASP 15 -12.557 25.393 5.390 109 HA ASP 15 HA ASP 15 -11.134 27.152 6.955 110 HB2 ASP 15 H32 ASP 15 -10.151 25.093 5.839 111 HB3 ASP 15 H33 ASP 15 -10.107 25.966 4.294 112 H GLU 16 H GLU 16 -11.886 27.471 3.416 113 HA GLU 16 HA GLU 16 -10.238 29.832 3.142 114 HB2 GLU 16 HB2 GLU 16 -12.364 28.740 1.228 115 HB3 GLU 16 HB3 GLU 16 -11.207 30.036 0.856 116 HG2 GLU 16 HG2 GLU 16 -9.279 28.517 1.190 117 HG3 GLU 16 HG3 GLU 16 -10.367 27.171 1.603 118 H GLN 17 H GLN 17 -13.830 29.293 3.702 119 HA GLN 17 HA GLN 17 -14.384 32.132 3.374 120 HB2 GLN 17 H42 GLN 17 -16.260 30.586 3.221 121 HB3 GLN 17 H43 GLN 17 -15.952 29.941 4.852 122 HG2 GLN 17 H32 GLN 17 -16.541 32.113 5.898 123 HG3 GLN 17 H33 GLN 17 -16.636 32.888 4.302 124 HE21 GLN 17 H61 GLN 17 -19.886 31.601 3.510 125 HE22 GLN 17 H62 GLN 17 -18.475 32.323 2.838 126 H ARG 18 H ARG 18 -13.789 29.975 6.240 127 HA ARG 18 HA ARG 18 -13.907 31.933 8.257 128 HB2 ARG 18 H42 ARG 18 -12.104 29.463 7.912 129 HB3 ARG 18 H43 ARG 18 -12.089 30.398 9.409 130 HG2 ARG 18 H33 ARG 18 -14.419 29.956 9.904 131 HG3 ARG 18 H32 ARG 18 -14.702 29.221 8.308 132 HD2 ARG 18 H52 ARG 18 -13.106 27.387 8.845 133 HD3 ARG 18 H53 ARG 18 -12.866 28.097 10.484 134 HE ARG 18 H10 ARG 18 -15.677 27.720 10.033 135 HH11 ARG 18 H71 ARG 18 -16.734 25.965 10.960 136 HH12 ARG 18 H72 ARG 18 -15.858 24.553 11.433 137 HH21 ARG 18 H81 ARG 18 -12.735 25.755 10.426 138 HH22 ARG 18 H82 ARG 18 -13.610 24.411 11.135 139 H ALA 19 H ALA 19 -11.294 31.346 5.861 140 HA ALA 19 HA ALA 19 -9.403 33.026 7.369 141 HB1 ALA 19 H21 ALA 19 -8.594 30.956 6.270 142 HB2 ALA 19 H22 ALA 19 -9.061 31.600 4.670 143 HB3 ALA 19 H23 ALA 19 -7.780 32.406 5.615 144 H LYS 20 H LYS 20 -11.036 33.049 4.065 145 HA LYS 20 HA LYS 20 -10.101 35.627 3.345 146 HB2 LYS 20 H42 LYS 20 -11.320 34.182 1.728 147 HB3 LYS 20 H43 LYS 20 -12.805 34.294 2.696 148 HG2 LYS 20 H23 LYS 20 -12.930 36.765 2.238 149 HG3 LYS 20 H22 LYS 20 -11.341 36.701 1.445 150 HD2 LYS 20 H33 LYS 20 -13.022 36.832 -0.285 151 HD3 LYS 20 H32 LYS 20 -12.310 35.203 -0.355 152 HE2 LYS 20 H53 LYS 20 -14.320 34.271 0.830 153 HE3 LYS 20 H52 LYS 20 -14.991 35.912 0.997 154 HZ1 LYS 20 H71 LYS 20 -14.412 34.523 -1.621 155 HZ2 LYS 20 H72 LYS 20 -15.995 34.688 -0.869 156 HZ3 LYS 20 H73 LYS 20 -15.133 36.116 -1.423 157 H LEU 21 H LEU 21 -12.942 34.520 5.353 158 HA LEU 21 HA LEU 21 -13.857 37.146 5.946 159 HB2 LEU 21 HB2 LEU 21 -13.916 34.600 7.683 160 HB3 LEU 21 HB3 LEU 21 -14.416 36.182 8.302 161 HG LEU 21 HG LEU 21 -15.755 34.742 5.949 162 HD11 LEU 21 HD11 LEU 21 -17.591 34.333 7.575 163 HD12 LEU 21 HD12 LEU 21 -16.080 33.586 8.156 164 HD13 LEU 21 HD13 LEU 21 -16.645 35.131 8.864 165 HD21 LEU 21 HD21 LEU 21 -16.145 37.191 5.702 166 HD22 LEU 21 HD22 LEU 21 -17.603 36.489 6.417 167 HD23 LEU 21 HD23 LEU 21 -16.442 37.349 7.458 168 H PHE 22 H PHE 22 -11.638 35.005 8.023 169 HA PHE 22 HA PHE 22 -11.059 36.711 9.923 170 HB2 PHE 22 HB2 PHE 22 -9.788 34.628 9.832 171 HB3 PHE 22 HB3 PHE 22 -8.934 35.127 8.380 172 HD1 PHE 22 HD1 PHE 22 -6.883 36.359 8.497 173 HD2 PHE 22 HD2 PHE 22 -9.467 36.296 11.933 174 HE1 PHE 22 HE1 PHE 22 -5.056 37.275 9.877 175 HE2 PHE 22 HE2 PHE 22 -7.632 37.237 13.313 176 HZ PHE 22 HZ PHE 22 -5.395 37.620 12.310 177 H ILE 23 H ILE 23 -9.106 36.948 6.852 178 HA ILE 23 HA ILE 23 -7.986 39.398 7.873 179 HB ILE 23 HB ILE 23 -6.811 37.722 6.317 180 HG12 ILE 23 HG12 ILE 23 -5.540 39.433 4.986 181 HG13 ILE 23 HG13 ILE 23 -6.708 40.672 5.490 182 HG21 ILE 23 HG21 ILE 23 -8.381 39.193 4.112 183 HG22 ILE 23 HG22 ILE 23 -7.134 37.938 3.899 184 HG23 ILE 23 HG23 ILE 23 -8.700 37.512 4.617 185 HD11 ILE 23 HD11 ILE 23 -4.945 38.985 7.413 186 HD12 ILE 23 HD12 ILE 23 -4.537 40.620 6.824 187 HD13 ILE 23 HD13 ILE 23 -5.933 40.389 7.890 188 H GLU 24 H GLU 24 -10.700 38.766 5.511 189 HA GLU 24 HA GLU 24 -10.826 41.604 4.820 190 HB2 GLU 24 HB2 GLU 24 -12.893 39.373 4.419 191 HB3 GLU 24 HB3 GLU 24 -13.117 41.071 3.927 192 HG2 GLU 24 HG2 GLU 24 -11.103 40.928 2.446 193 HG3 GLU 24 HG3 GLU 24 -10.849 39.235 2.937 194 H TRP 25 H TRP 25 -13.010 39.425 6.801 195 HA TRP 25 HA TRP 25 -14.467 41.228 8.234 196 HB2 TRP 25 HB2 TRP 25 -14.538 38.788 8.673 197 HB3 TRP 25 HB3 TRP 25 -12.867 38.806 9.295 198 HD1 TRP 25 HD1 TRP 25 -16.195 40.539 10.263 199 HE1 TRP 25 HE1 TRP 25 -16.387 40.439 12.793 200 HE3 TRP 25 HE3 TRP 25 -11.547 38.602 11.408 201 HZ2 TRP 25 HZ2 TRP 25 -15.008 39.481 14.943 202 HZ3 TRP 25 HZ3 TRP 25 -11.038 38.168 13.807 203 HH2 TRP 25 HH2 TRP 25 -12.794 38.474 15.542 204 H LEU 26 H LEU 26 -10.909 40.514 8.882 205 HA LEU 26 HA LEU 26 -10.845 42.280 11.143 206 HB2 LEU 26 HB2 LEU 26 -8.542 41.474 9.301 207 HB3 LEU 26 HB3 LEU 26 -8.414 42.665 10.610 208 HG LEU 26 HG LEU 26 -8.986 39.662 10.986 209 HD11 LEU 26 HD11 LEU 26 -6.637 40.223 10.460 210 HD12 LEU 26 HD12 LEU 26 -6.616 41.473 11.741 211 HD13 LEU 26 HD13 LEU 26 -6.781 39.763 12.176 212 HD21 LEU 26 HD21 LEU 26 -10.307 40.769 12.727 213 HD22 LEU 26 HD22 LEU 26 -8.828 40.108 13.422 214 HD23 LEU 26 HD23 LEU 26 -8.934 41.865 13.095 215 H AIB 27 H ALA 27 -9.904 42.687 7.624 216 HB11 AIB 27 H21 ALA 27 -8.970 45.763 9.015 217 HB12 AIB 27 H22 ALA 27 -7.948 44.983 7.790 218 HB13 AIB 27 H23 ALA 27 -8.749 46.538 7.424 219 HB21 AIB 27 H31 ALA 27 -8.982 43.947 5.693 220 HB22 AIB 27 H32 ALA 27 -10.742 44.027 5.428 221 HB23 AIB 27 H33 ALA 27 -9.764 45.506 5.329 222 H ALA 28 H ALA 28 -12.621 44.002 7.306 223 HA ALA 28 HA ALA 28 -13.881 46.482 6.802 224 HB1 ALA 28 H21 ALA 28 -14.965 43.989 8.292 225 HB2 ALA 28 H22 ALA 28 -15.962 45.387 7.829 226 HB3 ALA 28 H23 ALA 28 -15.169 44.385 6.577 227 H GLY 29 H GLY 29 -13.414 44.674 9.880 228 HA2 GLY 29 HA2 GLY 29 -12.344 46.476 11.511 229 HA3 GLY 29 HA3 GLY 29 -14.008 47.096 11.500 230 H GLY 30 H GLY 30 -12.459 43.807 11.628 231 HA2 GLY 30 HA2 GLY 30 -13.471 41.942 12.677 232 HA3 GLY 30 HA3 GLY 30 -12.358 42.729 13.777 233 HA PRO 31 HA PRO 31 -16.292 41.948 16.059 234 HB2 PRO 31 HB2 PRO 31 -14.612 42.976 18.385 235 HB3 PRO 31 HB3 PRO 31 -15.690 41.562 18.315 236 HG2 PRO 31 HG2 PRO 31 -12.960 41.226 18.145 237 HG3 PRO 31 HG3 PRO 31 -14.079 40.261 17.134 238 HD2 PRO 31 HD2 PRO 31 -12.430 42.693 16.246 239 HD3 PRO 31 HD3 PRO 31 -12.738 41.147 15.413 240 HA PRO 32 HA PRO 32 -16.424 46.670 17.545 241 HB2 PRO 32 HB2 PRO 32 -14.770 47.471 15.081 242 HB3 PRO 32 HB3 PRO 32 -15.071 48.466 16.543 243 HG2 PRO 32 HG2 PRO 32 -12.738 47.118 16.444 244 HG3 PRO 32 HG3 PRO 32 -13.742 46.868 17.900 245 HD2 PRO 32 HD3 PRO 32 -13.555 45.054 15.445 246 HD3 PRO 32 HD2 PRO 32 -13.444 44.608 17.192 247 H SER 33 H SER 33 -16.348 45.488 14.053 248 HA SER 33 HA SER 33 -18.532 47.184 13.264 249 HB2 SER 33 HB2 SER 33 -17.767 44.467 12.075 250 HB3 SER 33 HB3 SER 33 -18.666 45.782 11.263 251 HG SER 33 HG SER 33 -16.338 45.793 10.730 252 H AIB 34 H AIB 34 -18.520 44.301 15.292 253 HB11 AIB 34 H31 AIB 34 -22.191 45.086 14.919 254 HB12 AIB 34 H32 AIB 34 -22.535 43.853 16.140 255 HB13 AIB 34 H33 AIB 34 -21.422 45.189 16.522 256 HB21 AIB 34 H21 AIB 34 -19.260 42.080 16.181 257 HB22 AIB 34 H22 AIB 34 -19.827 43.324 17.319 258 HB23 AIB 34 H23 AIB 34 -20.949 42.069 16.738 259 H LYS 35 H LYS 35 -18.870 42.264 13.792 260 HA LYS 35 HA LYS 35 -21.061 40.823 12.358 261 HB2 LYS 35 H42 LYS 35 -18.344 41.850 11.320 262 HB3 LYS 35 H43 LYS 35 -19.354 40.666 10.457 263 HG2 LYS 35 H23 LYS 35 -21.232 42.298 10.340 264 HG3 LYS 35 H22 LYS 35 -20.276 43.500 11.252 265 HD2 LYS 35 H33 LYS 35 -18.667 43.724 9.414 266 HD3 LYS 35 H32 LYS 35 -19.324 42.281 8.599 267 HE2 LYS 35 H53 LYS 35 -20.065 44.272 7.405 268 HE3 LYS 35 H52 LYS 35 -21.468 43.439 8.112 269 HZ1 LYS 35 H71 LYS 35 -21.591 45.881 8.354 270 HZ2 LYS 35 H72 LYS 35 -21.525 45.090 9.918 271 HZ3 LYS 35 H73 LYS 35 -20.089 45.876 9.268 272 HA PRO 36 HA PRO 36 -19.326 37.750 14.731 273 HB2 PRO 36 HB2 PRO 36 -19.645 35.335 13.274 274 HB3 PRO 36 HB3 PRO 36 -20.990 36.284 13.971 275 HG2 PRO 36 HG2 PRO 36 -19.898 36.482 11.124 276 HG3 PRO 36 HG3 PRO 36 -21.599 36.196 11.617 277 HD2 PRO 36 HD2 PRO 36 -20.774 38.732 10.990 278 HD3 PRO 36 HD3 PRO 36 -21.797 38.495 12.464 279 HA PRO 37 HA PRO 37 -15.050 36.898 13.598 280 HB2 PRO 37 HB2 PRO 37 -14.391 34.842 15.397 281 HB3 PRO 37 HB3 PRO 37 -14.840 36.478 15.955 282 HG2 PRO 37 HG2 PRO 37 -16.689 34.058 15.597 283 HG3 PRO 37 HG3 PRO 37 -16.400 34.957 17.121 284 HD2 PRO 37 HD2 PRO 37 -18.541 35.584 15.535 285 HD3 PRO 37 HD3 PRO 37 -17.561 36.935 16.232 286 HA PRO 38 HA PRO 38 -14.795 33.760 10.507 287 HB2 PRO 38 HB2 PRO 38 -12.946 32.196 12.392 288 HB3 PRO 38 HB3 PRO 38 -12.837 32.297 10.611 289 HG2 PRO 38 HG2 PRO 38 -11.298 34.037 11.959 290 HG3 PRO 38 HG3 PRO 38 -12.416 34.746 10.754 291 HD2 PRO 38 HD2 PRO 38 -12.846 34.503 13.770 292 HD3 PRO 38 HD3 PRO 38 -13.044 35.975 12.749 293 H LYS 39 H LYS 39 -14.692 32.235 13.962 294 HA LYS 39 HA LYS 39 -17.393 30.561 12.634 295 HB2 LYS 39 H42 LYS 39 -15.566 29.973 15.028 296 HB3 LYS 39 H43 LYS 39 -16.938 28.977 14.472 297 HG2 LYS 39 H23 LYS 39 -15.827 28.571 12.297 298 HG3 LYS 39 H22 LYS 39 -14.489 29.660 12.724 299 HD2 LYS 39 H33 LYS 39 -13.774 27.329 12.961 300 HD3 LYS 39 H32 LYS 39 -13.783 28.107 14.561 301 HE2 LYS 39 H53 LYS 39 -15.881 26.951 15.171 302 HE3 LYS 39 H52 LYS 39 -16.090 26.347 13.509 303 HZ1 LYS 39 H71 LYS 39 -14.057 25.010 13.741 304 HZ2 LYS 39 H73 LYS 39 -15.218 24.627 15.004 305 HZ3 LYS 39 H72 LYS 39 -13.821 25.628 15.371 306 HN1 NH2 40 H11 LYS 39 -19.037 33.199 14.540 307 HN2 NH2 40 H12 LYS 39 -18.171 33.080 13.055 308 H93 EVT 101 H93 XXX 40 -11.700 23.430 7.067 309 H92 EVT 101 H92 XXX 40 -11.712 24.464 8.509 310 H103 EVT 101 H103 XXX 40 -9.685 22.223 7.885 311 H102 EVT 101 H102 XXX 40 -9.369 23.972 7.832 312 H11 EVT 101 H11 XXX 40 -10.108 22.320 10.315 313 H122 EVT 101 H122 XXX 40 -10.666 26.660 11.594 314 H123 EVT 101 H123 XXX 40 -11.626 25.867 12.865 315 H133 EVT 101 H133 XXX 40 -9.592 25.361 14.165 316 H132 EVT 101 H132 XXX 40 -9.672 27.109 13.825 317 H143 EVT 101 H143 XXX 40 -8.030 26.849 11.959 318 H142 EVT 101 H142 XXX 40 -7.956 25.090 12.229 319 H153 EVT 101 H153 XXX 40 -7.142 25.483 14.579 320 H152 EVT 101 H152 XXX 40 -7.108 27.239 14.250 321 H6 EVT 101 H6 XXX 40 -11.816 20.914 7.526 322 H163 EVT 101 H163 XXX 40 -5.527 26.761 12.292 323 H162 EVT 101 H162 XXX 40 -5.450 25.062 12.822 324 H173 EVT 101 H173 XXX 40 -4.620 27.512 14.518 325 H172 EVT 101 H172 XXX 40 -3.505 26.476 13.598 326 H183 EVT 101 H183 XXX 40 -4.155 24.502 15.010 327 H182 EVT 101 H182 XXX 40 -5.240 25.541 15.979 328 H193 EVT 101 H193 XXX 40 -3.335 26.965 16.678 329 H192 EVT 101 H192 XXX 40 -2.233 26.013 15.639 330 H203 EVT 101 H203 XXX 40 -2.596 24.000 17.034 331 H202 EVT 101 H202 XXX 40 -3.830 24.837 18.004 332 H213 EVT 101 H213 XXX 40 -1.595 24.649 19.147 333 H212 EVT 101 H212 XXX 40 -2.169 26.329 19.009 334 H223 EVT 101 H223 XXX 40 -0.628 26.840 17.216 335 H222 EVT 101 H222 XXX 40 -0.235 25.115 16.956 336 H25 EVT 101 H25 XXX 40 -9.580 25.267 10.002 337 H293 EVT 101 H293 XXX 40 0.893 25.016 19.152 338 H292 EVT 101 H292 XXX 40 0.464 26.717 19.492 339 H303 EVT 101 H303 XXX 40 1.774 27.474 17.502 340 H302 EVT 101 H302 XXX 40 2.211 25.790 17.120 341 H313 EVT 101 H313 XXX 40 3.010 27.284 19.704 342 H312 EVT 101 H312 XXX 40 4.047 27.071 18.272 343 H321 EVT 101 H321 XXX 40 3.047 24.804 20.111 344 H323 EVT 101 H323 XXX 40 4.713 25.378 19.891 345 H322 EVT 101 H322 XXX 40 3.883 24.544 18.550 346 H353 EVT 101 H353 XXX 40 -13.850 19.870 6.277 347 H352 EVT 101 H352 XXX 40 -14.692 18.333 6.504 348 H363 EVT 101 H363 XXX 40 -12.501 18.444 7.742 349 H362 EVT 101 H362 XXX 40 -13.895 18.124 8.805 350 H37 EVT 101 H37 XXX 40 -13.941 20.476 9.533 Start of MODEL 3 1 H1 HIS 1 H1 HIS 1 -4.954 12.821 5.631 2 H2 HIS 1 H2 HIS 1 -3.532 13.092 4.658 3 H3 HIS 1 H3 HIS 1 -4.710 14.348 4.838 4 HA HIS 1 HA HIS 1 -4.941 13.291 2.647 5 HB2 HIS 1 HB2 HIS 1 -4.067 10.990 3.496 6 HB3 HIS 1 HB3 HIS 1 -5.673 10.734 4.212 7 HD1 HIS 1 HD1 HIS 1 -4.232 11.714 0.815 8 HD2 HIS 1 HD2 HIS 1 -7.250 9.360 2.543 9 HE1 HIS 1 HE1 HIS 1 -5.351 10.535 -1.113 10 H AIB 2 H AIB 2 -7.278 12.669 1.735 11 HB11 AIB 2 H31 AIB 2 -9.616 11.376 1.681 12 HB12 AIB 2 H32 AIB 2 -10.944 12.564 1.796 13 HB13 AIB 2 H33 AIB 2 -9.608 12.823 0.643 14 HB21 AIB 2 H21 AIB 2 -10.346 15.001 2.498 15 HB22 AIB 2 H22 AIB 2 -8.774 15.347 3.272 16 HB23 AIB 2 H23 AIB 2 -8.865 15.053 1.516 17 H GLN 3 H GLN 3 -8.945 10.896 3.957 18 HA GLN 3 HA GLN 3 -10.107 10.003 5.787 19 HB2 GLN 3 H42 GLN 3 -9.276 12.732 6.933 20 HB3 GLN 3 H43 GLN 3 -9.946 11.392 7.894 21 HG2 GLN 3 H32 GLN 3 -8.073 9.905 7.206 22 HG3 GLN 3 H33 GLN 3 -7.319 11.249 6.306 23 HE21 GLN 3 H61 GLN 3 -5.946 10.954 9.886 24 HE22 GLN 3 H62 GLN 3 -6.215 9.731 8.707 25 H GLY 4 H GLY 4 -11.865 10.624 3.854 26 HA2 GLY 4 HA2 GLY 4 -14.259 10.603 4.083 27 HA3 GLY 4 HA3 GLY 4 -14.165 11.702 5.462 28 H THR 5 H THR 5 -13.713 11.504 1.880 29 HA THR 5 HA THR 5 -12.986 14.098 1.331 30 HB THR 5 HB THR 5 -14.998 12.332 -0.172 31 HG1 THR 5 HG1 THR 5 -12.170 12.640 -0.536 32 HG21 THR 5 HG21 THR 5 -15.233 14.624 -1.060 33 HG22 THR 5 HG22 THR 5 -13.455 14.792 -1.200 34 HG23 THR 5 HG23 THR 5 -14.332 13.621 -2.225 35 H PHE 6 H PHE 6 -16.422 12.979 1.987 36 HA PHE 6 HA PHE 6 -17.487 15.471 1.065 37 HB2 PHE 6 HB2 PHE 6 -18.864 13.429 1.134 38 HB3 PHE 6 HB3 PHE 6 -18.790 13.377 2.901 39 HD1 PHE 6 HD1 PHE 6 -19.856 15.278 4.254 40 HD2 PHE 6 HD2 PHE 6 -20.382 14.974 -0.002 41 HE1 PHE 6 HE1 PHE 6 -21.890 16.677 4.402 42 HE2 PHE 6 HE2 PHE 6 -22.471 16.289 0.163 43 HZ PHE 6 HZ PHE 6 -23.253 17.109 2.366 44 H THR 7 H THR 7 -17.137 14.266 4.530 45 HA THR 7 HA THR 7 -17.898 16.800 5.563 46 HB THR 7 HB THR 7 -17.854 14.734 6.960 47 HG1 THR 7 HG1 THR 7 -17.082 15.977 8.812 48 HG21 THR 7 HG21 THR 7 -15.557 13.792 6.277 49 HG22 THR 7 HG22 THR 7 -14.776 15.174 7.093 50 HG23 THR 7 HG23 THR 7 -15.711 13.997 8.035 51 H SER 8 H SER 8 -14.699 15.463 4.464 52 HA SER 8 HA SER 8 -13.163 17.578 5.619 53 HB2 SER 8 HB2 SER 8 -12.083 15.510 4.771 54 HB3 SER 8 HB3 SER 8 -12.598 15.914 3.108 55 HG SER 8 HG SER 8 -10.825 17.552 4.676 56 H ASP 9 H ASP 9 -14.954 17.267 2.423 57 HA ASP 9 HA ASP 9 -13.684 19.504 1.233 58 HB2 ASP 9 HB2 ASP 9 -16.574 18.469 0.870 59 HB3 ASP 9 HB3 ASP 9 -15.812 19.702 -0.171 60 H LEU 10 H LEU 10 -16.605 19.226 3.405 61 HA LEU 10 HA LEU 10 -17.175 22.012 3.344 62 HB2 LEU 10 HB2 LEU 10 -17.542 19.984 5.623 63 HB3 LEU 10 HB3 LEU 10 -18.126 21.662 5.726 64 HG LEU 10 HG LEU 10 -18.979 19.724 3.499 65 HD11 LEU 10 HD11 LEU 10 -20.361 20.165 6.207 66 HD12 LEU 10 HD12 LEU 10 -21.037 19.235 4.839 67 HD13 LEU 10 HD13 LEU 10 -19.575 18.658 5.667 68 HD21 LEU 10 HD21 LEU 10 -20.979 21.276 3.361 69 HD22 LEU 10 HD22 LEU 10 -20.311 22.264 4.684 70 HD23 LEU 10 HD23 LEU 10 -19.488 22.212 3.105 71 H SER 11 H SER 11 -15.103 20.121 5.740 72 HA SER 11 HA SER 11 -14.227 22.430 7.109 73 HB2 SER 11 HB2 SER 11 -13.807 20.140 7.923 74 HB3 SER 11 HB3 SER 11 -12.670 19.850 6.571 75 HG SER 11 HG SER 11 -11.557 20.578 8.558 76 H LYS 12 H LYS 12 -12.996 21.115 3.977 77 HA LYS 12 HA LYS 12 -10.648 22.838 3.970 78 HB2 LYS 12 HB2 LYS 12 -12.199 21.576 1.613 79 HB3 LYS 12 HB3 LYS 12 -10.711 22.533 1.449 80 HG2 LYS 12 HG2 LYS 12 -9.428 20.909 2.797 81 HG3 LYS 12 HG3 LYS 12 -10.882 19.909 3.040 82 HD2 LYS 12 HD2 LYS 12 -11.045 19.499 0.580 83 HD3 LYS 12 HD3 LYS 12 -9.625 20.539 0.296 84 HE2 LYS 12 HE2 LYS 12 -8.194 19.002 1.661 85 HE3 LYS 12 HE3 LYS 12 -9.600 17.938 1.933 86 HZ1 LYS 12 HZ1 LYS 12 -8.188 17.108 0.110 87 HZ2 LYS 12 HZ2 LYS 12 -9.751 17.549 -0.500 88 HZ3 LYS 12 HZ3 LYS 12 -8.382 18.589 -0.775 89 H GLN 13 H GLN 13 -14.032 23.026 2.674 90 HA GLN 13 HA GLN 13 -13.591 25.699 1.620 91 HB2 GLN 13 HB2 GLN 13 -16.131 24.024 2.111 92 HB3 GLN 13 HB3 GLN 13 -16.154 25.656 1.413 93 HG2 GLN 13 HG2 GLN 13 -14.608 24.924 -0.428 94 HG3 GLN 13 HG3 GLN 13 -14.587 23.279 0.224 95 HE21 GLN 13 HE21 GLN 13 -18.005 22.539 -0.764 96 HE22 GLN 13 HE22 GLN 13 -16.868 22.187 0.484 97 H LYS 14 H LYS 14 -14.590 24.511 4.901 98 HA LYS 14 HA LYS 14 -15.649 27.067 5.687 99 HB2 LYS 14 HB2 LYS 14 -14.229 25.018 7.498 100 HB3 LYS 14 HB3 LYS 14 -15.075 26.491 8.003 101 HG2 LYS 14 HG2 LYS 14 -17.204 25.490 6.840 102 HG3 LYS 14 HG3 LYS 14 -16.285 23.966 6.738 103 HD2 LYS 14 HD2 LYS 14 -15.872 24.282 9.323 104 HD3 LYS 14 HD3 LYS 14 -17.115 25.547 9.215 105 HE2 LYS 14 HE2 LYS 14 -18.358 23.554 9.794 106 HE3 LYS 14 HE3 LYS 14 -18.629 23.713 8.038 107 HZ1 LYS 14 HZ1 LYS 14 -16.325 22.057 8.725 108 H ASP 15 H ASP 15 -12.418 25.384 5.951 109 HA ASP 15 HA ASP 15 -10.984 27.348 7.150 110 HB2 ASP 15 H32 ASP 15 -10.086 25.124 6.298 111 HB3 ASP 15 H33 ASP 15 -9.877 25.864 4.699 112 H GLU 16 H GLU 16 -11.917 27.203 3.630 113 HA GLU 16 HA GLU 16 -10.466 29.576 2.918 114 HB2 GLU 16 HB2 GLU 16 -12.932 28.360 1.545 115 HB3 GLU 16 HB3 GLU 16 -11.919 29.680 0.900 116 HG2 GLU 16 HG2 GLU 16 -9.950 28.176 0.860 117 HG3 GLU 16 HG3 GLU 16 -10.908 26.839 1.528 118 H GLN 17 H GLN 17 -14.053 29.150 3.742 119 HA GLN 17 HA GLN 17 -14.524 31.981 3.477 120 HB2 GLN 17 H42 GLN 17 -16.420 30.423 3.453 121 HB3 GLN 17 H43 GLN 17 -16.063 29.869 5.105 122 HG2 GLN 17 H32 GLN 17 -16.612 32.119 6.026 123 HG3 GLN 17 H33 GLN 17 -16.767 32.781 4.387 124 HE21 GLN 17 H61 GLN 17 -19.724 30.235 5.844 125 HE22 GLN 17 H62 GLN 17 -18.140 30.076 6.491 126 H ARG 18 H ARG 18 -14.002 29.967 6.449 127 HA ARG 18 HA ARG 18 -13.806 31.894 8.401 128 HB2 ARG 18 H42 ARG 18 -11.956 29.512 7.817 129 HB3 ARG 18 H43 ARG 18 -11.782 30.445 9.303 130 HG2 ARG 18 H33 ARG 18 -14.095 29.900 10.011 131 HG3 ARG 18 H32 ARG 18 -14.353 28.953 8.524 132 HD2 ARG 18 H52 ARG 18 -12.454 27.440 9.183 133 HD3 ARG 18 H53 ARG 18 -12.280 28.388 10.708 134 HE ARG 18 H10 ARG 18 -15.001 27.469 10.398 135 HH11 ARG 18 H71 ARG 18 -15.715 25.727 11.628 136 HH12 ARG 18 H72 ARG 18 -14.594 24.597 12.295 137 HH21 ARG 18 H81 ARG 18 -11.743 26.172 11.025 138 HH22 ARG 18 H82 ARG 18 -12.356 24.842 11.985 139 H ALA 19 H ALA 19 -11.360 31.344 5.771 140 HA ALA 19 HA ALA 19 -9.421 33.094 7.099 141 HB1 ALA 19 H21 ALA 19 -8.592 31.137 5.845 142 HB2 ALA 19 H22 ALA 19 -9.307 31.754 4.335 143 HB3 ALA 19 H23 ALA 19 -7.989 32.653 5.134 144 H LYS 20 H LYS 20 -11.331 33.152 3.914 145 HA LYS 20 HA LYS 20 -10.380 35.739 3.236 146 HB2 LYS 20 H42 LYS 20 -11.542 34.314 1.571 147 HB3 LYS 20 H43 LYS 20 -13.063 34.448 2.496 148 HG2 LYS 20 H23 LYS 20 -13.174 36.902 2.035 149 HG3 LYS 20 H22 LYS 20 -11.531 36.887 1.388 150 HD2 LYS 20 H33 LYS 20 -13.142 37.053 -0.466 151 HD3 LYS 20 H32 LYS 20 -12.196 35.552 -0.543 152 HE2 LYS 20 H53 LYS 20 -14.481 35.028 -1.172 153 HE3 LYS 20 H52 LYS 20 -14.185 34.287 0.405 154 HZ1 LYS 20 H71 LYS 20 -15.366 36.239 1.430 155 HZ2 LYS 20 H72 LYS 20 -15.670 36.860 -0.187 156 HZ3 LYS 20 H73 LYS 20 -16.368 35.328 0.315 157 H LEU 21 H LEU 21 -13.172 34.609 5.300 158 HA LEU 21 HA LEU 21 -14.075 37.249 5.923 159 HB2 LEU 21 HB2 LEU 21 -13.961 34.814 7.801 160 HB3 LEU 21 HB3 LEU 21 -14.675 36.393 8.206 161 HG LEU 21 HG LEU 21 -15.706 34.510 6.026 162 HD11 LEU 21 HD11 LEU 21 -17.552 34.086 7.679 163 HD12 LEU 21 HD12 LEU 21 -15.974 33.648 8.387 164 HD13 LEU 21 HD13 LEU 21 -16.763 35.179 8.859 165 HD21 LEU 21 HD21 LEU 21 -16.328 36.843 5.466 166 HD22 LEU 21 HD22 LEU 21 -17.755 36.007 6.119 167 HD23 LEU 21 HD23 LEU 21 -16.839 37.140 7.145 168 H PHE 22 H PHE 22 -11.694 35.065 7.785 169 HA PHE 22 HA PHE 22 -11.182 36.754 9.739 170 HB2 PHE 22 HB2 PHE 22 -9.946 34.624 9.575 171 HB3 PHE 22 HB3 PHE 22 -8.960 35.237 8.247 172 HD1 PHE 22 HD1 PHE 22 -6.955 36.525 8.764 173 HD2 PHE 22 HD2 PHE 22 -9.941 36.034 11.821 174 HE1 PHE 22 HE1 PHE 22 -5.338 37.272 10.479 175 HE2 PHE 22 HE2 PHE 22 -8.312 36.750 13.533 176 HZ PHE 22 HZ PHE 22 -5.974 37.269 12.878 177 H ILE 23 H ILE 23 -9.269 37.023 6.649 178 HA ILE 23 HA ILE 23 -8.031 39.385 7.749 179 HB ILE 23 HB ILE 23 -6.959 37.730 6.098 180 HG12 ILE 23 HG12 ILE 23 -5.586 39.410 4.898 181 HG13 ILE 23 HG13 ILE 23 -6.714 40.703 5.377 182 HG21 ILE 23 HG21 ILE 23 -8.485 39.399 4.004 183 HG22 ILE 23 HG22 ILE 23 -7.312 38.096 3.677 184 HG23 ILE 23 HG23 ILE 23 -8.880 37.712 4.419 185 HD11 ILE 23 HD11 ILE 23 -4.559 40.494 6.799 186 HD12 ILE 23 HD12 ILE 23 -6.040 40.453 7.759 187 HD13 ILE 23 HD13 ILE 23 -5.185 38.930 7.393 188 H GLU 24 H GLU 24 -10.808 38.944 5.425 189 HA GLU 24 HA GLU 24 -10.827 41.811 4.856 190 HB2 GLU 24 HB2 GLU 24 -13.030 39.716 4.421 191 HB3 GLU 24 HB3 GLU 24 -13.126 41.444 3.978 192 HG2 GLU 24 HG2 GLU 24 -11.114 41.171 2.489 193 HG3 GLU 24 HG3 GLU 24 -11.018 39.452 2.942 194 H TRP 25 H TRP 25 -12.982 39.617 6.820 195 HA TRP 25 HA TRP 25 -14.317 41.300 8.467 196 HB2 TRP 25 HB2 TRP 25 -14.219 38.822 8.744 197 HB3 TRP 25 HB3 TRP 25 -12.552 38.925 9.364 198 HD1 TRP 25 HD1 TRP 25 -15.869 40.497 10.331 199 HE1 TRP 25 HE1 TRP 25 -16.151 40.256 12.868 200 HE3 TRP 25 HE3 TRP 25 -11.268 38.513 11.457 201 HZ2 TRP 25 HZ2 TRP 25 -14.697 39.313 15.029 202 HZ3 TRP 25 HZ3 TRP 25 -10.701 38.139 13.853 203 HH2 TRP 25 HH2 TRP 25 -12.455 38.362 15.603 204 H LEU 26 H LEU 26 -10.677 40.615 8.869 205 HA LEU 26 HA LEU 26 -10.545 42.320 11.177 206 HB2 LEU 26 HB2 LEU 26 -8.292 41.562 9.266 207 HB3 LEU 26 HB3 LEU 26 -8.138 42.663 10.657 208 HG LEU 26 HG LEU 26 -8.805 39.649 10.800 209 HD11 LEU 26 HD11 LEU 26 -6.445 40.142 10.288 210 HD12 LEU 26 HD12 LEU 26 -6.352 41.287 11.662 211 HD13 LEU 26 HD13 LEU 26 -6.588 39.559 11.960 212 HD21 LEU 26 HD21 LEU 26 -10.066 40.666 12.641 213 HD22 LEU 26 HD22 LEU 26 -8.609 39.890 13.268 214 HD23 LEU 26 HD23 LEU 26 -8.645 41.673 13.069 215 H AIB 27 H ALA 27 -9.761 42.817 7.637 216 HB11 AIB 27 H21 ALA 27 -8.839 45.986 9.048 217 HB12 AIB 27 H22 ALA 27 -7.821 45.089 7.898 218 HB13 AIB 27 H23 ALA 27 -8.556 46.644 7.416 219 HB21 AIB 27 H31 ALA 27 -8.872 44.155 5.715 220 HB22 AIB 27 H32 ALA 27 -10.646 44.174 5.529 221 HB23 AIB 27 H33 ALA 27 -9.728 45.693 5.402 222 H ALA 28 H ALA 28 -12.461 44.118 7.554 223 HA ALA 28 HA ALA 28 -13.806 46.615 7.184 224 HB1 ALA 28 H21 ALA 28 -14.712 43.990 8.556 225 HB2 ALA 28 H22 ALA 28 -15.785 45.384 8.290 226 HB3 ALA 28 H23 ALA 28 -15.073 44.516 6.901 227 H GLY 29 H GLY 29 -13.005 44.694 10.115 228 HA2 GLY 29 HA2 GLY 29 -11.979 46.301 11.885 229 HA3 GLY 29 HA3 GLY 29 -13.571 47.075 11.854 230 H GLY 30 H GLY 30 -12.096 43.775 11.940 231 HA2 GLY 30 HA2 GLY 30 -13.243 41.835 12.735 232 HA3 GLY 30 HA3 GLY 30 -12.223 42.522 13.981 233 HA PRO 31 HA PRO 31 -16.346 41.678 15.877 234 HB2 PRO 31 HB2 PRO 31 -15.110 42.891 18.361 235 HB3 PRO 31 HB3 PRO 31 -16.007 41.371 18.163 236 HG2 PRO 31 HG2 PRO 31 -13.228 41.369 18.374 237 HG3 PRO 31 HG3 PRO 31 -14.107 40.194 17.352 238 HD2 PRO 31 HD2 PRO 31 -12.563 42.664 16.430 239 HD3 PRO 31 HD3 PRO 31 -12.725 41.057 15.672 240 HA PRO 32 HA PRO 32 -16.876 46.411 17.165 241 HB2 PRO 32 HB2 PRO 32 -14.903 47.263 14.964 242 HB3 PRO 32 HB3 PRO 32 -15.444 48.263 16.344 243 HG2 PRO 32 HG2 PRO 32 -13.093 46.962 16.631 244 HG3 PRO 32 HG3 PRO 32 -14.311 46.702 17.916 245 HD2 PRO 32 HD3 PRO 32 -13.673 44.878 15.555 246 HD3 PRO 32 HD2 PRO 32 -13.832 44.470 17.301 247 H SER 33 H SER 33 -16.501 45.149 13.719 248 HA SER 33 HA SER 33 -18.584 47.025 12.823 249 HB2 SER 33 HB2 SER 33 -17.490 44.620 11.293 250 HB3 SER 33 HB3 SER 33 -18.477 45.954 10.658 251 HG SER 33 HG SER 33 -15.832 46.299 11.650 252 H AIB 34 H AIB 34 -18.977 44.369 14.869 253 HB11 AIB 34 H31 AIB 34 -22.360 44.853 13.438 254 HB12 AIB 34 H32 AIB 34 -23.002 43.723 14.646 255 HB13 AIB 34 H33 AIB 34 -22.026 45.124 15.166 256 HB21 AIB 34 H21 AIB 34 -19.773 42.073 15.597 257 HB22 AIB 34 H22 AIB 34 -20.665 43.333 16.487 258 HB23 AIB 34 H23 AIB 34 -21.550 41.983 15.720 259 H LYS 35 H LYS 35 -18.825 42.196 13.284 260 HA LYS 35 HA LYS 35 -20.558 40.610 11.407 261 HB2 LYS 35 H42 LYS 35 -17.700 41.699 11.178 262 HB3 LYS 35 H43 LYS 35 -18.293 40.336 10.189 263 HG2 LYS 35 H23 LYS 35 -20.019 41.793 9.169 264 HG3 LYS 35 H22 LYS 35 -19.495 43.158 10.210 265 HD2 LYS 35 H33 LYS 35 -17.267 43.204 9.113 266 HD3 LYS 35 H32 LYS 35 -17.610 41.687 8.252 267 HE2 LYS 35 H53 LYS 35 -17.771 43.534 6.686 268 HE3 LYS 35 H52 LYS 35 -19.388 42.815 6.898 269 HZ1 LYS 35 H71 LYS 35 -20.016 44.647 8.378 270 HZ2 LYS 35 H72 LYS 35 -18.395 45.323 8.271 271 HZ3 LYS 35 H73 LYS 35 -19.424 45.273 6.852 272 HA PRO 36 HA PRO 36 -19.173 37.649 14.338 273 HB2 PRO 36 HB2 PRO 36 -19.330 35.175 13.000 274 HB3 PRO 36 HB3 PRO 36 -20.782 36.179 13.244 275 HG2 PRO 36 HG2 PRO 36 -18.967 36.240 10.787 276 HG3 PRO 36 HG3 PRO 36 -20.721 35.892 10.811 277 HD2 PRO 36 HD2 PRO 36 -19.834 38.443 10.299 278 HD3 PRO 36 HD3 PRO 36 -21.223 38.218 11.418 279 HA PRO 37 HA PRO 37 -14.802 36.834 13.449 280 HB2 PRO 37 HB2 PRO 37 -14.082 35.095 15.471 281 HB3 PRO 37 HB3 PRO 37 -14.798 36.665 15.875 282 HG2 PRO 37 HG2 PRO 37 -16.315 34.026 15.550 283 HG3 PRO 37 HG3 PRO 37 -16.238 35.020 17.032 284 HD2 PRO 37 HD2 PRO 37 -18.303 35.338 15.193 285 HD3 PRO 37 HD3 PRO 37 -17.589 36.768 16.012 286 HA PRO 38 HA PRO 38 -14.522 33.556 10.561 287 HB2 PRO 38 HB2 PRO 38 -12.618 31.984 12.393 288 HB3 PRO 38 HB3 PRO 38 -12.479 32.222 10.629 289 HG2 PRO 38 HG2 PRO 38 -10.976 33.827 12.179 290 HG3 PRO 38 HG3 PRO 38 -12.026 34.628 10.956 291 HD2 PRO 38 HD2 PRO 38 -12.658 34.208 13.918 292 HD3 PRO 38 HD3 PRO 38 -12.721 35.759 12.982 293 H LYS 39 H LYS 39 -14.338 32.058 14.209 294 HA LYS 39 HA LYS 39 -16.715 30.208 13.006 295 HB2 LYS 39 H42 LYS 39 -14.708 30.145 15.324 296 HB3 LYS 39 H43 LYS 39 -15.995 28.943 15.028 297 HG2 LYS 39 H23 LYS 39 -15.014 28.290 12.878 298 HG3 LYS 39 H22 LYS 39 -13.840 29.627 12.927 299 HD2 LYS 39 H33 LYS 39 -12.736 27.503 13.470 300 HD3 LYS 39 H32 LYS 39 -12.670 28.617 14.853 301 HE2 LYS 39 H53 LYS 39 -14.454 27.374 16.020 302 HE3 LYS 39 H52 LYS 39 -14.758 26.373 14.577 303 HZ1 LYS 39 H71 LYS 39 -12.163 26.428 16.120 304 HZ2 LYS 39 H73 LYS 39 -12.565 25.373 14.770 305 HZ3 LYS 39 H72 LYS 39 -13.428 25.216 16.294 306 HN1 NH2 40 H11 LYS 39 -18.586 32.911 14.591 307 HN2 NH2 40 H12 LYS 39 -17.716 32.706 13.125 308 H93 EVT 101 H93 XXX 40 -13.429 21.877 10.219 309 H92 EVT 101 H92 XXX 40 -13.223 22.492 11.871 310 H103 EVT 101 H103 XXX 40 -12.720 19.613 10.902 311 H102 EVT 101 H102 XXX 40 -11.536 20.798 11.507 312 H11 EVT 101 H11 XXX 40 -13.761 19.462 13.100 313 H122 EVT 101 H122 XXX 40 -12.682 22.834 15.883 314 H123 EVT 101 H123 XXX 40 -13.994 22.108 16.836 315 H133 EVT 101 H133 XXX 40 -12.381 20.465 17.827 316 H132 EVT 101 H132 XXX 40 -11.885 22.142 18.152 317 H143 EVT 101 H143 XXX 40 -10.276 22.021 16.200 318 H142 EVT 101 H142 XXX 40 -10.748 20.321 15.945 319 H153 EVT 101 H153 XXX 40 -9.874 19.718 18.226 320 H152 EVT 101 H152 XXX 40 -9.524 21.437 18.544 321 H6 EVT 101 H6 XXX 40 -15.092 19.775 10.194 322 H163 EVT 101 H163 XXX 40 -7.427 20.397 17.988 323 H162 EVT 101 H162 XXX 40 -7.882 21.447 16.626 324 H173 EVT 101 H173 XXX 40 -8.721 19.332 15.393 325 H172 EVT 101 H172 XXX 40 -8.156 18.375 16.786 326 H183 EVT 101 H183 XXX 40 -5.819 19.343 16.382 327 H182 EVT 101 H182 XXX 40 -6.448 20.156 14.923 328 H193 EVT 101 H193 XXX 40 -7.062 17.906 13.942 329 H192 EVT 101 H192 XXX 40 -6.417 17.125 15.413 330 H203 EVT 101 H203 XXX 40 -4.168 18.281 14.914 331 H202 EVT 101 H202 XXX 40 -4.847 18.810 13.357 332 H213 EVT 101 H213 XXX 40 -5.184 16.399 12.692 333 H212 EVT 101 H212 XXX 40 -4.535 15.879 14.271 334 H223 EVT 101 H223 XXX 40 -2.372 17.096 13.752 335 H222 EVT 101 H222 XXX 40 -3.000 17.455 12.120 336 H25 EVT 101 H25 XXX 40 -11.969 21.694 13.906 337 H293 EVT 101 H293 XXX 40 -3.178 14.980 11.669 338 H292 EVT 101 H292 XXX 40 -2.558 14.633 13.306 339 H303 EVT 101 H303 XXX 40 -0.462 16.012 12.700 340 H302 EVT 101 H302 XXX 40 -1.042 16.030 11.015 341 H313 EVT 101 H313 XXX 40 -0.339 13.538 12.703 342 H312 EVT 101 H312 XXX 40 0.681 14.258 11.438 343 H321 EVT 101 H321 XXX 40 -2.069 12.927 10.993 344 H323 EVT 101 H323 XXX 40 -0.477 12.297 10.502 345 H322 EVT 101 H322 XXX 40 -1.136 13.760 9.712 346 H353 EVT 101 H353 XXX 40 -16.505 19.739 8.198 347 H352 EVT 101 H352 XXX 40 -18.113 19.071 7.867 348 H363 EVT 101 H363 XXX 40 -17.146 18.158 10.034 349 H362 EVT 101 H362 XXX 40 -18.707 19.005 10.222 350 H37 EVT 101 H37 XXX 40 -17.573 21.004 11.093 Start of MODEL 4 1 H1 HIS 1 H1 HIS 1 -4.274 14.222 0.447 2 H2 HIS 1 H2 HIS 1 -3.026 13.939 -0.730 3 H3 HIS 1 H3 HIS 1 -4.300 15.055 -1.090 4 HA HIS 1 HA HIS 1 -4.701 12.962 -2.270 5 HB2 HIS 1 HB2 HIS 1 -3.470 11.517 -0.537 6 HB3 HIS 1 HB3 HIS 1 -4.896 11.677 0.524 7 HD1 HIS 1 HD1 HIS 1 -4.122 10.580 -3.042 8 HD2 HIS 1 HD2 HIS 1 -6.615 9.638 0.208 9 HE1 HIS 1 HE1 HIS 1 -5.424 8.549 -3.761 10 H AIB 2 H AIB 2 -7.057 11.901 -2.280 11 HB11 AIB 2 H31 AIB 2 -9.307 10.805 -1.249 12 HB12 AIB 2 H32 AIB 2 -10.675 11.877 -1.675 13 HB13 AIB 2 H33 AIB 2 -9.457 11.440 -2.910 14 HB21 AIB 2 H21 AIB 2 -10.159 14.405 -2.283 15 HB22 AIB 2 H22 AIB 2 -8.466 14.966 -2.180 16 HB23 AIB 2 H23 AIB 2 -8.938 13.809 -3.444 17 H GLN 3 H GLN 3 -7.972 11.647 0.707 18 HA GLN 3 HA GLN 3 -8.552 11.792 2.953 19 HB2 GLN 3 H42 GLN 3 -8.355 14.769 2.242 20 HB3 GLN 3 H43 GLN 3 -8.501 14.175 3.908 21 HG2 GLN 3 H32 GLN 3 -6.345 13.040 3.824 22 HG3 GLN 3 H33 GLN 3 -6.249 13.181 2.057 23 HE21 GLN 3 H61 GLN 3 -5.517 16.599 4.283 24 HE22 GLN 3 H62 GLN 3 -6.600 15.431 4.943 25 H GLY 4 H GLY 4 -10.679 11.058 1.309 26 HA2 GLY 4 HA2 GLY 4 -13.022 10.935 1.450 27 HA3 GLY 4 HA3 GLY 4 -12.906 11.884 2.940 28 H THR 5 H THR 5 -13.083 12.118 -0.677 29 HA THR 5 HA THR 5 -12.619 14.750 -1.082 30 HB THR 5 HB THR 5 -14.965 13.171 -2.287 31 HG1 THR 5 HG1 THR 5 -12.251 13.333 -3.165 32 HG21 THR 5 HG21 THR 5 -15.076 15.648 -2.849 33 HG22 THR 5 HG22 THR 5 -13.390 15.583 -3.438 34 HG23 THR 5 HG23 THR 5 -14.673 14.654 -4.273 35 H PHE 6 H PHE 6 -15.906 13.500 0.064 36 HA PHE 6 HA PHE 6 -17.059 16.103 -0.154 37 HB2 PHE 6 HB2 PHE 6 -18.541 14.145 -0.043 38 HB3 PHE 6 HB3 PHE 6 -17.955 13.719 1.570 39 HD1 PHE 6 HD1 PHE 6 -18.688 15.010 3.540 40 HD2 PHE 6 HD2 PHE 6 -19.967 16.182 -0.399 41 HE1 PHE 6 HE1 PHE 6 -20.435 16.457 4.528 42 HE2 PHE 6 HE2 PHE 6 -21.588 17.766 0.600 43 HZ PHE 6 HZ PHE 6 -21.770 17.962 3.072 44 H THR 7 H THR 7 -15.967 14.354 2.887 45 HA THR 7 HA THR 7 -16.460 16.629 4.495 46 HB THR 7 HB THR 7 -16.058 14.394 5.469 47 HG1 THR 7 HG1 THR 7 -14.335 16.457 6.472 48 HG21 THR 7 HG21 THR 7 -14.071 13.630 4.131 49 HG22 THR 7 HG22 THR 7 -13.055 14.891 4.878 50 HG23 THR 7 HG23 THR 7 -13.723 13.581 5.879 51 H SER 8 H SER 8 -13.558 15.712 2.507 52 HA SER 8 HA SER 8 -11.890 17.760 3.592 53 HB2 SER 8 HB2 SER 8 -10.844 16.015 2.227 54 HB3 SER 8 HB3 SER 8 -11.866 16.427 0.826 55 HG SER 8 HG SER 8 -9.958 18.237 1.980 56 H ASP 9 H ASP 9 -14.290 17.719 0.812 57 HA ASP 9 HA ASP 9 -13.606 20.320 -0.073 58 HB2 ASP 9 HB2 ASP 9 -16.343 18.929 -0.174 59 HB3 ASP 9 HB3 ASP 9 -15.922 20.411 -1.067 60 H LEU 10 H LEU 10 -15.967 19.171 2.532 61 HA LEU 10 HA LEU 10 -16.861 21.769 3.150 62 HB2 LEU 10 HB2 LEU 10 -16.263 19.564 5.216 63 HB3 LEU 10 HB3 LEU 10 -17.140 21.072 5.535 64 HG LEU 10 HG LEU 10 -18.144 18.835 3.679 65 HD11 LEU 10 HD11 LEU 10 -18.772 19.564 6.608 66 HD12 LEU 10 HD12 LEU 10 -19.761 18.450 5.635 67 HD13 LEU 10 HD13 LEU 10 -18.073 18.032 6.011 68 HD21 LEU 10 HD21 LEU 10 -20.327 20.057 3.859 69 HD22 LEU 10 HD22 LEU 10 -19.524 21.362 4.770 70 HD23 LEU 10 HD23 LEU 10 -19.111 21.070 3.059 71 H SER 11 H SER 11 -14.012 19.890 4.599 72 HA SER 11 HA SER 11 -13.236 21.989 6.260 73 HB2 SER 11 HB2 SER 11 -12.236 19.703 6.376 74 HB3 SER 11 HB3 SER 11 -11.387 19.993 4.837 75 HG SER 11 HG SER 11 -10.967 21.484 7.273 76 H LYS 12 H LYS 12 -12.559 21.568 2.731 77 HA LYS 12 HA LYS 12 -10.591 23.698 2.706 78 HB2 LYS 12 HB2 LYS 12 -12.339 22.605 0.402 79 HB3 LYS 12 HB3 LYS 12 -11.048 23.813 0.214 80 HG2 LYS 12 HG2 LYS 12 -9.357 22.203 1.044 81 HG3 LYS 12 HG3 LYS 12 -10.605 20.954 1.262 82 HD2 LYS 12 HD2 LYS 12 -11.128 20.981 -1.164 83 HD3 LYS 12 HD3 LYS 12 -9.932 22.281 -1.425 84 HE2 LYS 12 HE2 LYS 12 -8.073 20.816 -0.743 85 HE3 LYS 12 HE3 LYS 12 -9.203 19.521 -0.290 86 HZ1 LYS 12 HZ1 LYS 12 -8.852 20.631 -3.096 87 HZ2 LYS 12 HZ2 LYS 12 -8.204 19.125 -2.511 88 HZ3 LYS 12 HZ3 LYS 12 -9.925 19.334 -2.650 89 H GLN 13 H GLN 13 -14.149 23.428 1.999 90 HA GLN 13 HA GLN 13 -14.328 26.184 1.128 91 HB2 GLN 13 HB2 GLN 13 -16.451 24.136 1.952 92 HB3 GLN 13 HB3 GLN 13 -16.846 25.753 1.334 93 HG2 GLN 13 HG2 GLN 13 -15.646 25.340 -0.789 94 HG3 GLN 13 HG3 GLN 13 -15.121 23.748 -0.250 95 HE21 GLN 13 HE21 GLN 13 -18.376 22.193 -0.554 96 HE22 GLN 13 HE22 GLN 13 -17.019 22.181 0.502 97 H LYS 14 H LYS 14 -15.037 24.549 4.319 98 HA LYS 14 HA LYS 14 -15.910 26.889 5.627 99 HB2 LYS 14 HB2 LYS 14 -14.149 24.710 6.908 100 HB3 LYS 14 HB3 LYS 14 -15.050 25.995 7.734 101 HG2 LYS 14 HG2 LYS 14 -17.200 24.891 6.764 102 HG3 LYS 14 HG3 LYS 14 -16.165 23.550 6.242 103 HD2 LYS 14 HD2 LYS 14 -15.286 23.604 8.799 104 HD3 LYS 14 HD3 LYS 14 -16.794 24.522 9.050 105 HE2 LYS 14 HE2 LYS 14 -17.350 22.294 9.600 106 HE3 LYS 14 HE3 LYS 14 -17.986 22.436 7.936 107 HZ1 LYS 14 HZ1 LYS 14 -15.585 21.456 7.358 108 H ASP 15 H ASP 15 -12.568 25.422 5.207 109 HA ASP 15 HA ASP 15 -11.191 27.310 6.702 110 HB2 ASP 15 H32 ASP 15 -10.083 25.296 5.737 111 HB3 ASP 15 H33 ASP 15 -10.191 25.986 4.113 112 H GLU 16 H GLU 16 -12.037 27.457 3.162 113 HA GLU 16 HA GLU 16 -10.646 29.928 2.746 114 HB2 GLU 16 HB2 GLU 16 -12.940 28.664 1.163 115 HB3 GLU 16 HB3 GLU 16 -12.112 30.158 0.663 116 HG2 GLU 16 HG2 GLU 16 -9.923 28.979 0.568 117 HG3 GLU 16 HG3 GLU 16 -10.692 27.453 1.061 118 H GLN 17 H GLN 17 -14.129 29.280 3.717 119 HA GLN 17 HA GLN 17 -14.776 32.093 3.563 120 HB2 GLN 17 H42 GLN 17 -16.542 30.320 3.718 121 HB3 GLN 17 H43 GLN 17 -16.051 29.960 5.387 122 HG2 GLN 17 H32 GLN 17 -16.579 32.354 6.041 123 HG3 GLN 17 H33 GLN 17 -17.058 32.692 4.369 124 HE21 GLN 17 H61 GLN 17 -20.337 31.310 4.861 125 HE22 GLN 17 H62 GLN 17 -19.296 32.120 3.764 126 H ARG 18 H ARG 18 -13.682 29.921 6.256 127 HA ARG 18 HA ARG 18 -13.672 31.860 8.315 128 HB2 ARG 18 H42 ARG 18 -11.949 29.371 7.819 129 HB3 ARG 18 H43 ARG 18 -11.797 30.313 9.305 130 HG2 ARG 18 H33 ARG 18 -14.079 29.851 9.973 131 HG3 ARG 18 H32 ARG 18 -14.496 29.163 8.385 132 HD2 ARG 18 H52 ARG 18 -12.914 27.302 8.696 133 HD3 ARG 18 H53 ARG 18 -12.514 27.909 10.344 134 HE ARG 18 H10 ARG 18 -15.337 27.652 10.231 135 HH11 ARG 18 H71 ARG 18 -16.348 25.866 11.164 136 HH12 ARG 18 H72 ARG 18 -15.482 24.390 11.411 137 HH21 ARG 18 H81 ARG 18 -12.455 25.563 10.117 138 HH22 ARG 18 H82 ARG 18 -13.298 24.197 10.828 139 H ALA 19 H ALA 19 -11.288 31.355 5.647 140 HA ALA 19 HA ALA 19 -9.240 32.967 7.041 141 HB1 ALA 19 H21 ALA 19 -8.439 31.066 5.685 142 HB2 ALA 19 H22 ALA 19 -9.214 31.737 4.228 143 HB3 ALA 19 H23 ALA 19 -7.867 32.609 5.008 144 H LYS 20 H LYS 20 -11.234 33.144 3.932 145 HA LYS 20 HA LYS 20 -10.335 35.750 3.297 146 HB2 LYS 20 H42 LYS 20 -11.644 34.270 1.715 147 HB3 LYS 20 H43 LYS 20 -13.090 34.504 2.714 148 HG2 LYS 20 H23 LYS 20 -13.046 36.975 2.199 149 HG3 LYS 20 H22 LYS 20 -11.494 36.767 1.368 150 HD2 LYS 20 H33 LYS 20 -13.096 36.925 -0.406 151 HD3 LYS 20 H32 LYS 20 -12.588 35.234 -0.292 152 HE2 LYS 20 H53 LYS 20 -15.003 35.200 -0.637 153 HE3 LYS 20 H52 LYS 20 -14.777 34.812 1.070 154 HZ1 LYS 20 H71 LYS 20 -15.433 37.541 -0.090 155 HZ2 LYS 20 H72 LYS 20 -16.588 36.433 0.636 156 HZ3 LYS 20 H73 LYS 20 -15.333 37.153 1.622 157 H LEU 21 H LEU 21 -12.982 34.514 5.488 158 HA LEU 21 HA LEU 21 -13.867 37.116 6.311 159 HB2 LEU 21 HB2 LEU 21 -13.738 34.469 7.852 160 HB3 LEU 21 HB3 LEU 21 -14.180 35.999 8.628 161 HG LEU 21 HG LEU 21 -15.733 34.764 6.294 162 HD11 LEU 21 HD11 LEU 21 -17.411 34.141 8.041 163 HD12 LEU 21 HD12 LEU 21 -15.836 33.386 8.396 164 HD13 LEU 21 HD13 LEU 21 -16.355 34.834 9.308 165 HD21 LEU 21 HD21 LEU 21 -16.161 37.188 6.343 166 HD22 LEU 21 HD22 LEU 21 -17.535 36.406 7.138 167 HD23 LEU 21 HD23 LEU 21 -16.275 37.190 8.127 168 H PHE 22 H PHE 22 -11.477 34.866 8.054 169 HA PHE 22 HA PHE 22 -10.643 36.389 10.004 170 HB2 PHE 22 HB2 PHE 22 -9.509 34.274 9.347 171 HB3 PHE 22 HB3 PHE 22 -8.602 35.119 8.101 172 HD1 PHE 22 HD1 PHE 22 -7.128 37.218 8.980 173 HD2 PHE 22 HD2 PHE 22 -8.433 33.908 11.399 174 HE1 PHE 22 HE1 PHE 22 -5.383 37.728 10.640 175 HE2 PHE 22 HE2 PHE 22 -6.614 34.353 12.983 176 HZ PHE 22 HZ PHE 22 -5.125 36.309 12.659 177 H ILE 23 H ILE 23 -9.082 36.995 6.769 178 HA ILE 23 HA ILE 23 -7.967 39.397 7.951 179 HB ILE 23 HB ILE 23 -6.742 37.885 6.340 180 HG12 ILE 23 HG12 ILE 23 -5.567 39.722 5.084 181 HG13 ILE 23 HG13 ILE 23 -6.827 40.869 5.585 182 HG21 ILE 23 HG21 ILE 23 -8.363 39.341 4.157 183 HG22 ILE 23 HG22 ILE 23 -7.065 38.142 3.912 184 HG23 ILE 23 HG23 ILE 23 -8.618 37.640 4.605 185 HD11 ILE 23 HD11 ILE 23 -5.074 39.276 7.567 186 HD12 ILE 23 HD12 ILE 23 -4.662 40.905 6.967 187 HD13 ILE 23 HD13 ILE 23 -6.102 40.683 7.967 188 H GLU 24 H GLU 24 -10.623 38.849 5.446 189 HA GLU 24 HA GLU 24 -10.753 41.675 4.879 190 HB2 GLU 24 HB2 GLU 24 -12.909 39.522 4.591 191 HB3 GLU 24 HB3 GLU 24 -13.144 41.221 4.137 192 HG2 GLU 24 HG2 GLU 24 -11.277 41.110 2.505 193 HG3 GLU 24 HG3 GLU 24 -10.955 39.414 2.947 194 H TRP 25 H TRP 25 -12.633 39.438 7.037 195 HA TRP 25 HA TRP 25 -14.182 41.234 8.457 196 HB2 TRP 25 HB2 TRP 25 -14.154 38.754 8.836 197 HB3 TRP 25 HB3 TRP 25 -12.520 38.855 9.535 198 HD1 TRP 25 HD1 TRP 25 -15.965 40.405 10.301 199 HE1 TRP 25 HE1 TRP 25 -16.301 40.347 12.829 200 HE3 TRP 25 HE3 TRP 25 -11.362 38.564 11.705 201 HZ2 TRP 25 HZ2 TRP 25 -14.904 39.697 15.086 202 HZ3 TRP 25 HZ3 TRP 25 -10.869 38.427 14.156 203 HH2 TRP 25 HH2 TRP 25 -12.627 38.925 15.822 204 H LEU 26 H LEU 26 -10.609 40.555 9.100 205 HA LEU 26 HA LEU 26 -10.625 42.354 11.335 206 HB2 LEU 26 HB2 LEU 26 -8.260 41.514 9.608 207 HB3 LEU 26 HB3 LEU 26 -8.118 42.573 11.028 208 HG LEU 26 HG LEU 26 -9.120 39.674 11.149 209 HD11 LEU 26 HD11 LEU 26 -6.687 39.892 10.601 210 HD12 LEU 26 HD12 LEU 26 -6.484 40.909 12.065 211 HD13 LEU 26 HD13 LEU 26 -6.966 39.192 12.221 212 HD21 LEU 26 HD21 LEU 26 -10.195 40.871 12.983 213 HD22 LEU 26 HD22 LEU 26 -8.858 39.896 13.605 214 HD23 LEU 26 HD23 LEU 26 -8.638 41.658 13.391 215 H AIB 27 H ALA 27 -9.586 42.718 7.850 216 HB11 AIB 27 H21 ALA 27 -8.712 45.972 9.177 217 HB12 AIB 27 H22 ALA 27 -7.625 45.036 8.126 218 HB13 AIB 27 H23 ALA 27 -8.370 46.553 7.532 219 HB21 AIB 27 H31 ALA 27 -8.571 43.938 5.948 220 HB22 AIB 27 H32 ALA 27 -10.329 43.983 5.673 221 HB23 AIB 27 H33 ALA 27 -9.366 45.472 5.521 222 H ALA 28 H ALA 28 -12.178 43.927 7.791 223 HA ALA 28 HA ALA 28 -13.564 46.376 7.121 224 HB1 ALA 28 H21 ALA 28 -15.614 45.027 7.748 225 HB2 ALA 28 H22 ALA 28 -14.534 44.074 6.700 226 HB3 ALA 28 H23 ALA 28 -14.565 43.774 8.450 227 H GLY 29 H GLY 29 -12.020 45.382 10.105 228 HA2 GLY 29 HA2 GLY 29 -12.188 46.533 12.178 229 HA3 GLY 29 HA3 GLY 29 -13.730 47.236 11.676 230 H GLY 30 H GLY 30 -12.209 43.936 11.895 231 HA2 GLY 30 HA2 GLY 30 -13.831 42.102 12.197 232 HA3 GLY 30 HA3 GLY 30 -12.671 42.258 13.458 233 HA PRO 31 HA PRO 31 -16.334 42.394 16.030 234 HB2 PRO 31 HB2 PRO 31 -15.210 43.790 18.334 235 HB3 PRO 31 HB3 PRO 31 -15.385 42.045 18.064 236 HG2 PRO 31 HG2 PRO 31 -12.889 43.654 17.828 237 HG3 PRO 31 HG3 PRO 31 -13.059 41.907 18.005 238 HD2 PRO 31 HD2 PRO 31 -12.424 43.278 15.558 239 HD3 PRO 31 HD3 PRO 31 -12.937 41.564 15.711 240 HA PRO 32 HA PRO 32 -16.760 47.317 16.566 241 HB2 PRO 32 HB2 PRO 32 -15.177 47.611 13.933 242 HB3 PRO 32 HB3 PRO 32 -15.548 48.911 15.101 243 HG2 PRO 32 HG2 PRO 32 -13.140 47.691 15.274 244 HG3 PRO 32 HG3 PRO 32 -14.112 47.818 16.784 245 HD2 PRO 32 HD3 PRO 32 -13.739 45.367 14.982 246 HD3 PRO 32 HD2 PRO 32 -13.769 45.484 16.778 247 H SER 33 H SER 33 -16.702 45.487 13.349 248 HA SER 33 HA SER 33 -19.017 46.953 12.420 249 HB2 SER 33 HB2 SER 33 -18.050 44.249 11.399 250 HB3 SER 33 HB3 SER 33 -19.028 45.462 10.523 251 HG SER 33 HG SER 33 -16.737 45.651 9.966 252 H AIB 34 H AIB 34 -18.802 44.463 14.846 253 HB11 AIB 34 H31 AIB 34 -22.484 44.736 14.160 254 HB12 AIB 34 H32 AIB 34 -22.795 43.738 15.589 255 HB13 AIB 34 H33 AIB 34 -21.840 45.241 15.742 256 HB21 AIB 34 H21 AIB 34 -19.351 42.382 16.134 257 HB22 AIB 34 H22 AIB 34 -20.124 43.743 16.984 258 HB23 AIB 34 H23 AIB 34 -21.063 42.271 16.612 259 H LYS 35 H LYS 35 -18.877 42.099 13.764 260 HA LYS 35 HA LYS 35 -20.860 40.163 12.648 261 HB2 LYS 35 H42 LYS 35 -18.406 41.417 11.302 262 HB3 LYS 35 H43 LYS 35 -19.270 39.994 10.665 263 HG2 LYS 35 H23 LYS 35 -21.371 41.265 10.448 264 HG3 LYS 35 H22 LYS 35 -20.621 42.709 11.193 265 HD2 LYS 35 H33 LYS 35 -19.146 43.071 9.298 266 HD3 LYS 35 H32 LYS 35 -19.532 41.471 8.606 267 HE2 LYS 35 H53 LYS 35 -20.655 43.227 7.338 268 HE3 LYS 35 H52 LYS 35 -21.859 42.185 8.134 269 HZ1 LYS 35 H71 LYS 35 -20.968 44.886 9.159 270 HZ2 LYS 35 H72 LYS 35 -22.440 44.566 8.261 271 HZ3 LYS 35 H73 LYS 35 -22.224 43.866 9.850 272 HA PRO 36 HA PRO 36 -18.491 37.748 15.325 273 HB2 PRO 36 HB2 PRO 36 -18.798 35.122 14.347 274 HB3 PRO 36 HB3 PRO 36 -20.168 36.109 14.931 275 HG2 PRO 36 HG2 PRO 36 -19.150 35.881 12.057 276 HG3 PRO 36 HG3 PRO 36 -20.784 35.469 12.636 277 HD2 PRO 36 HD2 PRO 36 -20.313 37.952 11.580 278 HD3 PRO 36 HD3 PRO 36 -21.265 37.834 13.107 279 HA PRO 37 HA PRO 37 -14.342 36.851 13.781 280 HB2 PRO 37 HB2 PRO 37 -13.387 35.017 15.686 281 HB3 PRO 37 HB3 PRO 37 -13.844 36.667 16.123 282 HG2 PRO 37 HG2 PRO 37 -15.646 34.207 16.229 283 HG3 PRO 37 HG3 PRO 37 -15.182 35.246 17.607 284 HD2 PRO 37 HD2 PRO 37 -17.506 35.685 16.304 285 HD3 PRO 37 HD3 PRO 37 -16.495 37.108 16.705 286 HA PRO 38 HA PRO 38 -14.456 33.615 10.890 287 HB2 PRO 38 HB2 PRO 38 -12.375 31.990 12.445 288 HB3 PRO 38 HB3 PRO 38 -12.498 32.194 10.669 289 HG2 PRO 38 HG2 PRO 38 -10.797 33.839 11.958 290 HG3 PRO 38 HG3 PRO 38 -12.024 34.612 10.890 291 HD2 PRO 38 HD2 PRO 38 -12.117 34.222 13.927 292 HD3 PRO 38 HD3 PRO 38 -12.380 35.757 12.999 293 H LYS 39 H LYS 39 -14.758 32.144 13.968 294 HA LYS 39 HA LYS 39 -16.686 30.385 13.343 295 HB2 LYS 39 H42 LYS 39 -14.460 29.664 15.322 296 HB3 LYS 39 H43 LYS 39 -15.928 28.716 14.983 297 HG2 LYS 39 H23 LYS 39 -15.216 28.492 12.571 298 HG3 LYS 39 H22 LYS 39 -13.749 29.430 12.922 299 HD2 LYS 39 H33 LYS 39 -13.191 27.064 12.827 300 HD3 LYS 39 H32 LYS 39 -12.957 27.631 14.493 301 HE2 LYS 39 H53 LYS 39 -15.048 26.550 15.226 302 HE3 LYS 39 H52 LYS 39 -15.498 26.174 13.553 303 HZ1 LYS 39 H71 LYS 39 -13.092 25.087 15.015 304 HZ2 LYS 39 H73 LYS 39 -13.572 24.679 13.374 305 HZ3 LYS 39 H72 LYS 39 -14.606 24.231 14.727 306 HN1 NH2 40 H11 LYS 39 -17.848 33.027 15.584 307 HN2 NH2 40 H12 LYS 39 -17.240 32.945 13.981 308 H93 EVT 101 H93 XXX 40 -10.697 20.052 9.527 309 H92 EVT 101 H92 XXX 40 -10.096 20.146 11.189 310 H103 EVT 101 H103 XXX 40 -10.309 17.575 9.478 311 H102 EVT 101 H102 XXX 40 -8.812 18.489 9.791 312 H11 EVT 101 H11 XXX 40 -10.558 17.087 11.905 313 H122 EVT 101 H122 XXX 40 -7.479 19.244 14.438 314 H123 EVT 101 H123 XXX 40 -8.834 18.835 15.507 315 H133 EVT 101 H133 XXX 40 -7.615 16.628 16.084 316 H132 EVT 101 H132 XXX 40 -6.832 18.126 16.622 317 H143 EVT 101 H143 XXX 40 -5.269 18.067 14.674 318 H142 EVT 101 H142 XXX 40 -6.054 16.590 14.059 319 H153 EVT 101 H153 XXX 40 -5.320 15.292 15.999 320 H152 EVT 101 H152 XXX 40 -4.814 16.763 16.869 321 H6 EVT 101 H6 XXX 40 -12.620 18.476 9.114 322 H163 EVT 101 H163 XXX 40 -2.809 15.665 16.130 323 H162 EVT 101 H162 XXX 40 -2.993 17.185 15.241 324 H173 EVT 101 H173 XXX 40 -3.827 15.897 13.217 325 H172 EVT 101 H172 XXX 40 -3.712 14.375 14.147 326 H183 EVT 101 H183 XXX 40 -1.242 14.836 14.473 327 H182 EVT 101 H182 XXX 40 -1.400 16.285 13.438 328 H193 EVT 101 H193 XXX 40 -2.134 14.775 11.518 329 H192 EVT 101 H192 XXX 40 -1.880 13.363 12.576 330 H203 EVT 101 H203 XXX 40 0.540 14.034 12.879 331 H202 EVT 101 H202 XXX 40 0.287 15.435 11.804 332 H213 EVT 101 H213 XXX 40 -0.262 13.856 9.915 333 H212 EVT 101 H212 XXX 40 0.046 12.470 10.997 334 H223 EVT 101 H223 XXX 40 2.417 13.315 11.371 335 H222 EVT 101 H222 XXX 40 2.088 14.650 10.238 336 H25 EVT 101 H25 XXX 40 -8.340 18.916 12.258 337 H293 EVT 101 H293 XXX 40 1.639 12.916 8.430 338 H292 EVT 101 H292 XXX 40 2.100 11.629 9.584 339 H303 EVT 101 H303 XXX 40 4.361 12.779 9.876 340 H302 EVT 101 H302 XXX 40 3.904 13.915 8.583 341 H313 EVT 101 H313 XXX 40 4.281 10.866 8.305 342 H312 EVT 101 H312 XXX 40 5.368 12.139 7.708 343 H321 EVT 101 H321 XXX 40 2.542 11.543 6.644 344 H323 EVT 101 H323 XXX 40 4.094 11.343 5.796 345 H322 EVT 101 H322 XXX 40 3.495 12.980 6.175 346 H353 EVT 101 H353 XXX 40 -14.480 19.345 7.815 347 H352 EVT 101 H352 XXX 40 -15.963 18.469 7.379 348 H363 EVT 101 H363 XXX 40 -14.632 17.031 8.835 349 H362 EVT 101 H362 XXX 40 -16.123 17.513 9.679 350 H37 EVT 101 H37 XXX 40 -14.732 19.309 10.865 Start of MODEL 5 1 H1 HIS 1 H1 HIS 1 -8.976 14.805 -3.168 2 H2 HIS 1 H2 HIS 1 -8.597 14.625 -4.867 3 H3 HIS 1 H3 HIS 1 -9.880 15.680 -4.371 4 HA HIS 1 HA HIS 1 -10.817 13.652 -5.267 5 HB2 HIS 1 HB2 HIS 1 -8.886 12.131 -4.764 6 HB3 HIS 1 HB3 HIS 1 -9.262 12.227 -3.024 7 HD1 HIS 1 HD1 HIS 1 -11.101 11.346 -6.248 8 HD2 HIS 1 HD2 HIS 1 -10.833 10.229 -2.206 9 HE1 HIS 1 HE1 HIS 1 -12.653 9.375 -5.985 10 H AIB 2 H AIB 2 -12.906 12.815 -4.346 11 HB11 AIB 2 H31 AIB 2 -15.883 12.870 -2.232 12 HB12 AIB 2 H32 AIB 2 -15.473 12.892 -3.967 13 HB13 AIB 2 H33 AIB 2 -14.779 11.650 -2.913 14 HB21 AIB 2 H21 AIB 2 -15.181 15.411 -2.395 15 HB22 AIB 2 H22 AIB 2 -13.479 15.813 -2.748 16 HB23 AIB 2 H23 AIB 2 -14.536 15.206 -4.047 17 H GLN 3 H GLN 3 -13.031 11.520 -1.346 18 HA GLN 3 HA GLN 3 -12.778 11.006 0.908 19 HB2 GLN 3 H42 GLN 3 -11.625 13.851 0.939 20 HB3 GLN 3 H43 GLN 3 -11.399 12.627 2.214 21 HG2 GLN 3 H32 GLN 3 -10.222 11.123 0.628 22 HG3 GLN 3 H33 GLN 3 -10.422 12.309 -0.681 23 HE21 GLN 3 H61 GLN 3 -7.884 14.539 0.578 24 HE22 GLN 3 H62 GLN 3 -9.213 14.414 -0.512 25 H GLY 4 H GLY 4 -15.505 11.871 0.248 26 HA2 GLY 4 HA2 GLY 4 -16.983 11.812 2.275 27 HA3 GLY 4 HA3 GLY 4 -16.192 13.289 2.830 28 H THR 5 H THR 5 -16.161 14.378 -0.134 29 HA THR 5 HA THR 5 -17.523 15.785 -1.326 30 HB THR 5 HB THR 5 -19.521 13.549 -0.762 31 HG1 THR 5 HG1 THR 5 -17.967 14.158 -3.073 32 HG21 THR 5 HG21 THR 5 -20.849 15.630 -1.265 33 HG22 THR 5 HG22 THR 5 -19.819 15.928 -2.693 34 HG23 THR 5 HG23 THR 5 -20.869 14.485 -2.623 35 H PHE 6 H PHE 6 -20.057 14.893 1.163 36 HA PHE 6 HA PHE 6 -20.753 17.724 1.097 37 HB2 PHE 6 HB2 PHE 6 -22.549 16.124 1.262 38 HB3 PHE 6 HB3 PHE 6 -21.891 15.392 2.724 39 HD1 PHE 6 HD1 PHE 6 -22.381 16.310 4.904 40 HD2 PHE 6 HD2 PHE 6 -23.155 18.717 1.433 41 HE1 PHE 6 HE1 PHE 6 -23.977 17.677 6.214 42 HE2 PHE 6 HE2 PHE 6 -24.743 20.093 2.742 43 HZ PHE 6 HZ PHE 6 -25.212 19.531 5.115 44 H THR 7 H THR 7 -19.660 15.521 3.830 45 HA THR 7 HA THR 7 -19.122 17.711 5.556 46 HB THR 7 HB THR 7 -19.215 15.252 6.278 47 HG1 THR 7 HG1 THR 7 -18.283 16.852 7.696 48 HG21 THR 7 HG21 THR 7 -17.680 14.301 4.497 49 HG22 THR 7 HG22 THR 7 -16.301 15.171 5.235 50 HG23 THR 7 HG23 THR 7 -17.151 13.916 6.157 51 H SER 8 H SER 8 -17.189 16.237 2.869 52 HA SER 8 HA SER 8 -14.713 17.340 3.826 53 HB2 SER 8 HB2 SER 8 -14.877 15.352 2.314 54 HB3 SER 8 HB3 SER 8 -15.428 16.411 0.985 55 HG SER 8 HG SER 8 -13.068 16.086 0.981 56 H ASP 9 H ASP 9 -17.028 18.344 1.134 57 HA ASP 9 HA ASP 9 -15.356 20.588 0.427 58 HB2 ASP 9 HB2 ASP 9 -18.353 20.097 -0.077 59 HB3 ASP 9 HB3 ASP 9 -17.442 21.494 -0.700 60 H LEU 10 H LEU 10 -18.163 20.093 2.772 61 HA LEU 10 HA LEU 10 -18.311 22.816 3.496 62 HB2 LEU 10 HB2 LEU 10 -18.598 20.302 5.219 63 HB3 LEU 10 HB3 LEU 10 -18.817 21.924 5.906 64 HG LEU 10 HG LEU 10 -20.504 20.880 3.553 65 HD11 LEU 10 HD11 LEU 10 -21.110 20.882 6.562 66 HD12 LEU 10 HD12 LEU 10 -22.294 20.515 5.268 67 HD13 LEU 10 HD13 LEU 10 -20.898 19.444 5.520 68 HD21 LEU 10 HD21 LEU 10 -22.061 22.757 4.311 69 HD22 LEU 10 HD22 LEU 10 -20.792 23.323 5.426 70 HD23 LEU 10 HD23 LEU 10 -20.534 23.370 3.662 71 H SER 11 H SER 11 -16.122 20.208 4.919 72 HA SER 11 HA SER 11 -14.841 21.891 6.712 73 HB2 SER 11 HB2 SER 11 -13.560 19.645 5.052 74 HB3 SER 11 HB3 SER 11 -12.886 20.354 6.545 75 HG SER 11 HG SER 11 -14.244 18.421 6.981 76 H LYS 12 H LYS 12 -14.209 21.565 3.178 77 HA LYS 12 HA LYS 12 -11.831 23.286 3.320 78 HB2 LYS 12 HB2 LYS 12 -13.599 22.502 0.918 79 HB3 LYS 12 HB3 LYS 12 -12.083 23.439 0.823 80 HG2 LYS 12 HG2 LYS 12 -10.785 21.590 1.753 81 HG3 LYS 12 HG3 LYS 12 -12.241 20.607 2.019 82 HD2 LYS 12 HD2 LYS 12 -12.707 20.511 -0.400 83 HD3 LYS 12 HD3 LYS 12 -11.317 21.560 -0.768 84 HE2 LYS 12 HE2 LYS 12 -11.112 18.800 0.596 85 HE3 LYS 12 HE3 LYS 12 -10.901 19.088 -1.150 86 HZ1 LYS 12 HZ1 LYS 12 -9.095 20.089 1.065 87 HZ2 LYS 12 HZ2 LYS 12 -8.721 18.974 -0.188 88 HZ3 LYS 12 HZ3 LYS 12 -9.001 20.637 -0.592 89 H GLN 13 H GLN 13 -15.320 23.720 2.433 90 HA GLN 13 HA GLN 13 -14.924 26.455 1.649 91 HB2 GLN 13 HB2 GLN 13 -17.458 24.904 2.411 92 HB3 GLN 13 HB3 GLN 13 -17.468 26.585 1.832 93 HG2 GLN 13 HG2 GLN 13 -16.357 25.927 -0.296 94 HG3 GLN 13 HG3 GLN 13 -16.310 24.230 0.206 95 HE21 GLN 13 HE21 GLN 13 -19.885 23.705 -0.132 96 HE22 GLN 13 HE22 GLN 13 -18.561 23.227 0.861 97 H LYS 14 H LYS 14 -15.435 24.878 4.889 98 HA LYS 14 HA LYS 14 -16.015 27.422 6.151 99 HB2 LYS 14 HB2 LYS 14 -14.672 24.977 7.469 100 HB3 LYS 14 HB3 LYS 14 -15.224 26.472 8.258 101 HG2 LYS 14 HG2 LYS 14 -17.610 25.852 7.364 102 HG3 LYS 14 HG3 LYS 14 -16.905 24.266 6.967 103 HD2 LYS 14 HD2 LYS 14 -16.063 24.279 9.499 104 HD3 LYS 14 HD3 LYS 14 -17.223 25.607 9.701 105 HE2 LYS 14 HE2 LYS 14 -18.414 23.558 10.302 106 HE3 LYS 14 HE3 LYS 14 -19.028 24.002 8.684 107 HZ1 LYS 14 HZ1 LYS 14 -16.749 22.259 8.474 108 H ASP 15 H ASP 15 -13.013 25.306 5.807 109 HA ASP 15 HA ASP 15 -11.259 27.000 7.040 110 HB2 ASP 15 H32 ASP 15 -10.619 24.749 5.969 111 HB3 ASP 15 H33 ASP 15 -10.658 25.547 4.389 112 H GLU 16 H GLU 16 -12.429 27.221 3.637 113 HA GLU 16 HA GLU 16 -10.634 29.424 2.972 114 HB2 GLU 16 HB2 GLU 16 -13.071 28.255 1.547 115 HB3 GLU 16 HB3 GLU 16 -12.032 29.526 0.858 116 HG2 GLU 16 HG2 GLU 16 -10.074 28.049 0.829 117 HG3 GLU 16 HG3 GLU 16 -10.912 26.799 1.767 118 H GLN 17 H GLN 17 -14.222 29.194 3.780 119 HA GLN 17 HA GLN 17 -14.601 32.008 3.473 120 HB2 GLN 17 H42 GLN 17 -16.528 30.479 3.587 121 HB3 GLN 17 H43 GLN 17 -16.154 30.031 5.266 122 HG2 GLN 17 H32 GLN 17 -16.521 32.395 5.983 123 HG3 GLN 17 H33 GLN 17 -16.868 32.875 4.311 124 HE21 GLN 17 H61 GLN 17 -19.931 31.429 6.488 125 HE22 GLN 17 H62 GLN 17 -18.437 31.848 7.229 126 H ARG 18 H ARG 18 -14.026 30.015 6.449 127 HA ARG 18 HA ARG 18 -13.755 31.929 8.385 128 HB2 ARG 18 H42 ARG 18 -12.007 29.468 7.789 129 HB3 ARG 18 H43 ARG 18 -11.761 30.408 9.258 130 HG2 ARG 18 H33 ARG 18 -14.076 29.965 10.039 131 HG3 ARG 18 H32 ARG 18 -14.433 29.030 8.566 132 HD2 ARG 18 H52 ARG 18 -12.585 27.447 9.120 133 HD3 ARG 18 H53 ARG 18 -12.289 28.371 10.641 134 HE ARG 18 H10 ARG 18 -15.041 27.569 10.533 135 HH11 ARG 18 H71 ARG 18 -15.714 25.802 11.767 136 HH12 ARG 18 H72 ARG 18 -14.577 24.623 12.312 137 HH21 ARG 18 H81 ARG 18 -11.779 26.161 10.903 138 HH22 ARG 18 H82 ARG 18 -12.367 24.823 11.867 139 H ALA 19 H ALA 19 -11.320 31.292 5.767 140 HA ALA 19 HA ALA 19 -9.317 32.942 7.135 141 HB1 ALA 19 H21 ALA 19 -8.580 30.922 5.892 142 HB2 ALA 19 H22 ALA 19 -9.208 31.595 4.366 143 HB3 ALA 19 H23 ALA 19 -7.862 32.407 5.212 144 H LYS 20 H LYS 20 -11.130 33.076 3.890 145 HA LYS 20 HA LYS 20 -10.064 35.628 3.279 146 HB2 LYS 20 H42 LYS 20 -11.364 34.255 1.578 147 HB3 LYS 20 H43 LYS 20 -12.852 34.604 2.492 148 HG2 LYS 20 H23 LYS 20 -12.368 37.126 2.111 149 HG3 LYS 20 H22 LYS 20 -10.956 36.650 1.162 150 HD2 LYS 20 H33 LYS 20 -12.746 37.231 -0.364 151 HD3 LYS 20 H32 LYS 20 -12.426 35.480 -0.493 152 HE2 LYS 20 H53 LYS 20 -14.848 36.036 -0.586 153 HE3 LYS 20 H52 LYS 20 -14.503 34.987 0.802 154 HZ1 LYS 20 H71 LYS 20 -16.065 36.876 1.271 155 HZ2 LYS 20 H72 LYS 20 -14.660 36.868 2.311 156 HZ3 LYS 20 H73 LYS 20 -14.751 38.000 0.970 157 H LEU 21 H LEU 21 -13.002 34.594 5.193 158 HA LEU 21 HA LEU 21 -13.861 37.214 5.833 159 HB2 LEU 21 HB2 LEU 21 -13.829 34.722 7.655 160 HB3 LEU 21 HB3 LEU 21 -14.421 36.313 8.177 161 HG LEU 21 HG LEU 21 -15.654 34.647 5.942 162 HD11 LEU 21 HD11 LEU 21 -17.486 34.285 7.658 163 HD12 LEU 21 HD12 LEU 21 -15.925 33.658 8.248 164 HD13 LEU 21 HD13 LEU 21 -16.537 35.225 8.843 165 HD21 LEU 21 HD21 LEU 21 -16.146 37.051 5.521 166 HD22 LEU 21 HD22 LEU 21 -17.591 36.279 6.195 167 HD23 LEU 21 HD23 LEU 21 -16.565 37.291 7.242 168 H PHE 22 H PHE 22 -11.547 35.024 7.767 169 HA PHE 22 HA PHE 22 -11.130 36.710 9.752 170 HB2 PHE 22 HB2 PHE 22 -9.869 34.582 9.650 171 HB3 PHE 22 HB3 PHE 22 -8.849 35.182 8.348 172 HD1 PHE 22 HD1 PHE 22 -6.893 36.557 8.886 173 HD2 PHE 22 HD2 PHE 22 -9.925 36.015 11.886 174 HE1 PHE 22 HE1 PHE 22 -5.319 37.345 10.627 175 HE2 PHE 22 HE2 PHE 22 -8.365 36.841 13.614 176 HZ PHE 22 HZ PHE 22 -6.024 37.400 13.005 177 H ILE 23 H ILE 23 -9.081 36.972 6.749 178 HA ILE 23 HA ILE 23 -7.943 39.405 7.808 179 HB ILE 23 HB ILE 23 -6.788 37.806 6.179 180 HG12 ILE 23 HG12 ILE 23 -5.582 39.566 4.861 181 HG13 ILE 23 HG13 ILE 23 -6.752 40.784 5.416 182 HG21 ILE 23 HG21 ILE 23 -8.459 39.301 4.065 183 HG22 ILE 23 HG22 ILE 23 -7.183 38.104 3.741 184 HG23 ILE 23 HG23 ILE 23 -8.700 37.594 4.520 185 HD11 ILE 23 HD11 ILE 23 -4.553 40.738 6.701 186 HD12 ILE 23 HD12 ILE 23 -5.918 40.455 7.792 187 HD13 ILE 23 HD13 ILE 23 -4.921 39.080 7.246 188 H GLU 24 H GLU 24 -10.688 38.839 5.470 189 HA GLU 24 HA GLU 24 -10.816 41.693 4.871 190 HB2 GLU 24 HB2 GLU 24 -12.870 39.462 4.404 191 HB3 GLU 24 HB3 GLU 24 -13.127 41.178 3.993 192 HG2 GLU 24 HG2 GLU 24 -11.099 41.146 2.506 193 HG3 GLU 24 HG3 GLU 24 -10.830 39.431 2.912 194 H TRP 25 H TRP 25 -12.992 39.488 6.833 195 HA TRP 25 HA TRP 25 -14.371 41.222 8.393 196 HB2 TRP 25 HB2 TRP 25 -14.386 38.775 8.737 197 HB3 TRP 25 HB3 TRP 25 -12.708 38.806 9.331 198 HD1 TRP 25 HD1 TRP 25 -16.044 40.417 10.392 199 HE1 TRP 25 HE1 TRP 25 -16.193 40.274 12.930 200 HE3 TRP 25 HE3 TRP 25 -11.338 38.552 11.417 201 HZ2 TRP 25 HZ2 TRP 25 -14.722 39.321 15.037 202 HZ3 TRP 25 HZ3 TRP 25 -10.745 38.157 13.800 203 HH2 TRP 25 HH2 TRP 25 -12.450 38.433 15.580 204 H LEU 26 H LEU 26 -10.770 40.567 8.895 205 HA LEU 26 HA LEU 26 -10.684 42.284 11.191 206 HB2 LEU 26 HB2 LEU 26 -8.409 41.578 9.277 207 HB3 LEU 26 HB3 LEU 26 -8.267 42.704 10.644 208 HG LEU 26 HG LEU 26 -8.792 39.674 10.845 209 HD11 LEU 26 HD11 LEU 26 -6.446 40.329 10.356 210 HD12 LEU 26 HD12 LEU 26 -6.469 41.467 11.738 211 HD13 LEU 26 HD13 LEU 26 -6.595 39.719 12.022 212 HD21 LEU 26 HD21 LEU 26 -10.130 40.646 12.666 213 HD22 LEU 26 HD22 LEU 26 -8.622 40.019 13.340 214 HD23 LEU 26 HD23 LEU 26 -8.806 41.778 13.061 215 H AIB 27 H ALA 27 -9.851 42.791 7.656 216 HB11 AIB 27 H21 ALA 27 -9.152 46.059 9.082 217 HB12 AIB 27 H22 ALA 27 -8.017 45.155 8.052 218 HB13 AIB 27 H23 ALA 27 -8.779 46.659 7.451 219 HB21 AIB 27 H31 ALA 27 -8.874 44.225 5.796 220 HB22 AIB 27 H32 ALA 27 -10.625 44.044 5.521 221 HB23 AIB 27 H33 ALA 27 -9.879 45.653 5.417 222 H ALA 28 H ALA 28 -12.582 43.948 7.554 223 HA ALA 28 HA ALA 28 -13.999 46.369 6.985 224 HB1 ALA 28 H21 ALA 28 -14.943 43.842 8.510 225 HB2 ALA 28 H22 ALA 28 -16.007 45.152 7.946 226 HB3 ALA 28 H23 ALA 28 -15.111 44.143 6.767 227 H GLY 29 H GLY 29 -13.244 44.598 10.029 228 HA2 GLY 29 HA2 GLY 29 -12.255 46.384 11.661 229 HA3 GLY 29 HA3 GLY 29 -13.913 47.022 11.636 230 H GLY 30 H GLY 30 -12.335 43.731 11.852 231 HA2 GLY 30 HA2 GLY 30 -13.367 41.871 12.911 232 HA3 GLY 30 HA3 GLY 30 -12.341 42.697 14.055 233 HA PRO 31 HA PRO 31 -16.492 42.117 16.057 234 HB2 PRO 31 HB2 PRO 31 -14.901 43.160 18.441 235 HB3 PRO 31 HB3 PRO 31 -16.114 41.851 18.388 236 HG2 PRO 31 HG2 PRO 31 -13.467 41.179 18.406 237 HG3 PRO 31 HG3 PRO 31 -14.583 40.368 17.272 238 HD2 PRO 31 HD2 PRO 31 -12.662 42.688 16.579 239 HD3 PRO 31 HD3 PRO 31 -12.919 41.141 15.724 240 HA PRO 32 HA PRO 32 -16.567 46.915 17.325 241 HB2 PRO 32 HB2 PRO 32 -14.801 47.491 14.859 242 HB3 PRO 32 HB3 PRO 32 -15.139 48.610 16.212 243 HG2 PRO 32 HG2 PRO 32 -12.829 47.195 16.306 244 HG3 PRO 32 HG3 PRO 32 -13.880 47.125 17.756 245 HD2 PRO 32 HD3 PRO 32 -13.628 45.048 15.538 246 HD3 PRO 32 HD2 PRO 32 -13.646 44.789 17.319 247 H SER 33 H SER 33 -16.428 45.400 13.987 248 HA SER 33 HA SER 33 -18.569 47.070 12.984 249 HB2 SER 33 HB2 SER 33 -17.752 44.296 12.002 250 HB3 SER 33 HB3 SER 33 -18.560 45.587 11.057 251 HG SER 33 HG SER 33 -16.203 45.520 10.703 252 H AIB 34 H AIB 34 -18.593 44.283 15.140 253 HB11 AIB 34 H31 AIB 34 -22.301 44.827 14.505 254 HB12 AIB 34 H32 AIB 34 -22.658 43.674 15.793 255 HB13 AIB 34 H33 AIB 34 -21.678 45.119 16.145 256 HB21 AIB 34 H21 AIB 34 -19.264 42.192 16.236 257 HB22 AIB 34 H22 AIB 34 -20.023 43.480 17.206 258 HB23 AIB 34 H23 AIB 34 -20.984 42.075 16.678 259 H LYS 35 H LYS 35 -18.773 42.107 13.838 260 HA LYS 35 HA LYS 35 -20.823 40.533 12.350 261 HB2 LYS 35 H42 LYS 35 -18.183 41.710 11.314 262 HB3 LYS 35 H43 LYS 35 -19.224 40.589 10.403 263 HG2 LYS 35 H23 LYS 35 -21.125 42.246 10.521 264 HG3 LYS 35 H22 LYS 35 -20.097 43.354 11.457 265 HD2 LYS 35 H33 LYS 35 -18.523 43.565 9.531 266 HD3 LYS 35 H32 LYS 35 -19.539 42.453 8.574 267 HE2 LYS 35 H53 LYS 35 -21.440 44.015 8.634 268 HE3 LYS 35 H52 LYS 35 -20.589 45.107 9.748 269 HZ1 LYS 35 H71 LYS 35 -19.693 44.465 6.938 270 HZ2 LYS 35 H72 LYS 35 -20.514 45.931 7.457 271 HZ3 LYS 35 H73 LYS 35 -18.900 45.567 8.057 272 HA PRO 36 HA PRO 36 -18.945 37.596 14.778 273 HB2 PRO 36 HB2 PRO 36 -19.219 35.155 13.380 274 HB3 PRO 36 HB3 PRO 36 -20.605 36.122 13.970 275 HG2 PRO 36 HG2 PRO 36 -19.324 36.286 11.194 276 HG3 PRO 36 HG3 PRO 36 -21.034 35.895 11.544 277 HD2 PRO 36 HD2 PRO 36 -20.336 38.458 10.958 278 HD3 PRO 36 HD3 PRO 36 -21.411 38.191 12.387 279 HA PRO 37 HA PRO 37 -14.649 36.732 13.654 280 HB2 PRO 37 HB2 PRO 37 -13.962 34.754 15.501 281 HB3 PRO 37 HB3 PRO 37 -14.489 36.371 16.031 282 HG2 PRO 37 HG2 PRO 37 -16.273 33.900 15.647 283 HG3 PRO 37 HG3 PRO 37 -16.013 34.786 17.184 284 HD2 PRO 37 HD2 PRO 37 -18.145 35.400 15.597 285 HD3 PRO 37 HD3 PRO 37 -17.185 36.749 16.318 286 HA PRO 38 HA PRO 38 -14.548 33.545 10.599 287 HB2 PRO 38 HB2 PRO 38 -12.625 31.934 12.385 288 HB3 PRO 38 HB3 PRO 38 -12.556 32.127 10.607 289 HG2 PRO 38 HG2 PRO 38 -10.968 33.749 12.009 290 HG3 PRO 38 HG3 PRO 38 -12.086 34.537 10.843 291 HD2 PRO 38 HD2 PRO 38 -12.491 34.181 13.848 292 HD3 PRO 38 HD3 PRO 38 -12.648 35.710 12.892 293 H LYS 39 H LYS 39 -15.005 32.382 14.035 294 HA LYS 39 HA LYS 39 -16.852 30.226 12.942 295 HB2 LYS 39 H42 LYS 39 -15.001 30.064 15.383 296 HB3 LYS 39 H43 LYS 39 -16.306 28.914 14.988 297 HG2 LYS 39 H23 LYS 39 -15.206 28.236 12.907 298 HG3 LYS 39 H22 LYS 39 -13.998 29.539 13.038 299 HD2 LYS 39 H33 LYS 39 -12.939 27.444 13.620 300 HD3 LYS 39 H32 LYS 39 -13.017 28.472 15.070 301 HE2 LYS 39 H53 LYS 39 -14.968 27.141 15.921 302 HE3 LYS 39 H52 LYS 39 -14.944 26.152 14.437 303 HZ1 LYS 39 H71 LYS 39 -12.667 25.414 15.009 304 HZ2 LYS 39 H73 LYS 39 -13.819 25.027 16.283 305 HZ3 LYS 39 H72 LYS 39 -12.716 26.382 16.474 306 HN1 NH2 40 H11 LYS 39 -18.711 32.972 14.463 307 HN2 NH2 40 H12 LYS 39 -17.853 32.684 12.997 308 H93 EVT 101 H93 XXX 40 -13.918 22.475 8.846 309 H92 EVT 101 H92 XXX 40 -13.284 22.983 10.415 310 H103 EVT 101 H103 XXX 40 -12.699 20.311 8.973 311 H102 EVT 101 H102 XXX 40 -11.571 21.649 9.290 312 H11 EVT 101 H11 XXX 40 -12.812 19.697 11.282 313 H122 EVT 101 H122 XXX 40 -11.857 23.276 13.939 314 H123 EVT 101 H123 XXX 40 -13.621 23.137 14.127 315 H133 EVT 101 H133 XXX 40 -13.298 21.361 15.881 316 H132 EVT 101 H132 XXX 40 -12.479 22.885 16.306 317 H143 EVT 101 H143 XXX 40 -10.301 21.936 15.453 318 H142 EVT 101 H142 XXX 40 -11.129 20.401 15.067 319 H153 EVT 101 H153 XXX 40 -11.689 20.074 17.493 320 H152 EVT 101 H152 XXX 40 -11.006 21.672 17.873 321 H6 EVT 101 H6 XXX 40 -15.153 20.151 8.974 322 H163 EVT 101 H163 XXX 40 -9.382 20.042 18.546 323 H162 EVT 101 H162 XXX 40 -8.740 20.912 17.129 324 H173 EVT 101 H173 XXX 40 -9.343 18.936 15.666 325 H172 EVT 101 H172 XXX 40 -10.038 18.113 17.088 326 H183 EVT 101 H183 XXX 40 -7.775 18.186 18.204 327 H182 EVT 101 H182 XXX 40 -7.099 18.997 16.769 328 H193 EVT 101 H193 XXX 40 -7.685 16.955 15.374 329 H192 EVT 101 H192 XXX 40 -8.334 16.170 16.841 330 H203 EVT 101 H203 XXX 40 -6.066 16.379 17.937 331 H202 EVT 101 H202 XXX 40 -5.419 17.102 16.442 332 H213 EVT 101 H213 XXX 40 -5.919 14.994 15.183 333 H212 EVT 101 H212 XXX 40 -6.650 14.274 16.640 334 H223 EVT 101 H223 XXX 40 -4.498 14.417 17.856 335 H222 EVT 101 H222 XXX 40 -3.722 15.213 16.462 336 H25 EVT 101 H25 XXX 40 -11.305 22.230 11.918 337 H293 EVT 101 H293 XXX 40 -4.013 13.199 15.076 338 H292 EVT 101 H292 XXX 40 -4.901 12.364 16.385 339 H303 EVT 101 H303 XXX 40 -2.916 12.489 17.875 340 H302 EVT 101 H302 XXX 40 -1.979 13.347 16.625 341 H313 EVT 101 H313 XXX 40 -3.075 10.470 16.385 342 H312 EVT 101 H312 XXX 40 -1.411 10.914 16.841 343 H321 EVT 101 H321 XXX 40 -2.719 11.469 14.095 344 H323 EVT 101 H323 XXX 40 -1.441 10.286 14.462 345 H322 EVT 101 H322 XXX 40 -1.096 12.035 14.593 346 H353 EVT 101 H353 XXX 40 -17.189 20.142 7.527 347 H352 EVT 101 H352 XXX 40 -18.804 19.442 7.687 348 H363 EVT 101 H363 XXX 40 -16.938 18.278 9.057 349 H362 EVT 101 H362 XXX 40 -18.412 18.722 9.955 350 H37 EVT 101 H37 XXX 40 -17.281 20.688 10.910 Start of MODEL 6 1 H1 HIS 1 H1 HIS 1 -5.404 7.136 -4.169 2 H2 HIS 1 H2 HIS 1 -5.610 5.886 -5.370 3 H3 HIS 1 H3 HIS 1 -6.023 7.518 -5.753 4 HA HIS 1 HA HIS 1 -8.052 6.294 -5.340 5 HB2 HIS 1 HB2 HIS 1 -7.101 4.475 -3.933 6 HB3 HIS 1 HB3 HIS 1 -6.800 5.629 -2.612 7 HD1 HIS 1 HD1 HIS 1 -9.793 4.589 -4.746 8 HD2 HIS 1 HD2 HIS 1 -8.741 5.491 -0.779 9 HE1 HIS 1 HE1 HIS 1 -11.906 4.278 -3.387 10 H AIB 2 H AIB 2 -9.927 7.419 -4.286 11 HB11 AIB 2 H31 AIB 2 -11.797 10.224 -2.889 12 HB12 AIB 2 H32 AIB 2 -11.853 9.108 -4.280 13 HB13 AIB 2 H33 AIB 2 -11.714 8.461 -2.630 14 HB21 AIB 2 H21 AIB 2 -9.955 11.407 -4.166 15 HB22 AIB 2 H22 AIB 2 -8.406 10.603 -4.525 16 HB23 AIB 2 H23 AIB 2 -9.871 10.167 -5.441 17 H GLN 3 H GLN 3 -9.826 7.880 -1.242 18 HA GLN 3 HA GLN 3 -9.309 8.276 0.987 19 HB2 GLN 3 H42 GLN 3 -6.968 9.811 -0.252 20 HB3 GLN 3 H43 GLN 3 -7.130 9.312 1.457 21 HG2 GLN 3 H32 GLN 3 -7.260 6.912 0.761 22 HG3 GLN 3 H33 GLN 3 -7.001 7.407 -0.936 23 HE21 GLN 3 H61 GLN 3 -3.700 6.290 0.262 24 HE22 GLN 3 H62 GLN 3 -5.223 5.599 -0.157 25 H GLY 4 H GLY 4 -11.465 9.725 0.378 26 HA2 GLY 4 HA2 GLY 4 -12.646 11.540 1.256 27 HA3 GLY 4 HA3 GLY 4 -11.320 11.616 2.432 28 H THR 5 H THR 5 -10.833 12.164 -1.161 29 HA THR 5 HA THR 5 -9.672 14.735 -0.647 30 HB THR 5 HB THR 5 -10.949 13.636 -3.224 31 HG1 THR 5 HG1 THR 5 -8.198 13.724 -2.425 32 HG21 THR 5 HG21 THR 5 -9.590 15.400 -4.403 33 HG22 THR 5 HG22 THR 5 -10.826 16.139 -3.355 34 HG23 THR 5 HG23 THR 5 -9.121 16.100 -2.827 35 H PHE 6 H PHE 6 -13.068 13.697 -1.544 36 HA PHE 6 HA PHE 6 -13.946 16.367 -2.003 37 HB2 PHE 6 HB2 PHE 6 -15.341 14.584 -2.845 38 HB3 PHE 6 HB3 PHE 6 -15.518 13.849 -1.244 39 HD1 PHE 6 HD1 PHE 6 -17.099 14.725 0.381 40 HD2 PHE 6 HD2 PHE 6 -16.437 16.851 -3.296 41 HE1 PHE 6 HE1 PHE 6 -19.145 16.047 0.779 42 HE2 PHE 6 HE2 PHE 6 -18.396 18.287 -2.812 43 HZ PHE 6 HZ PHE 6 -19.765 17.879 -0.782 44 H THR 7 H THR 7 -14.411 14.287 1.011 45 HA THR 7 HA THR 7 -15.597 16.461 2.418 46 HB THR 7 HB THR 7 -15.754 14.108 3.271 47 HG1 THR 7 HG1 THR 7 -16.069 15.961 4.717 48 HG21 THR 7 HG21 THR 7 -13.360 13.408 2.957 49 HG22 THR 7 HG22 THR 7 -12.844 14.561 4.221 50 HG23 THR 7 HG23 THR 7 -13.914 13.206 4.648 51 H SER 8 H SER 8 -12.100 15.561 1.993 52 HA SER 8 HA SER 8 -11.251 17.453 3.976 53 HB2 SER 8 HB2 SER 8 -9.678 15.684 3.240 54 HB3 SER 8 HB3 SER 8 -9.723 16.274 1.559 55 HG SER 8 HG SER 8 -8.708 17.832 3.735 56 H ASP 9 H ASP 9 -12.002 17.689 0.405 57 HA ASP 9 HA ASP 9 -10.925 20.346 0.210 58 HB2 ASP 9 HB2 ASP 9 -13.133 19.008 -1.468 59 HB3 ASP 9 HB3 ASP 9 -12.380 20.590 -1.819 60 H LEU 10 H LEU 10 -14.210 19.027 1.254 61 HA LEU 10 HA LEU 10 -15.341 21.644 1.500 62 HB2 LEU 10 HB2 LEU 10 -15.820 19.172 3.253 63 HB3 LEU 10 HB3 LEU 10 -16.728 20.695 3.426 64 HG LEU 10 HG LEU 10 -16.761 18.900 0.934 65 HD11 LEU 10 HD11 LEU 10 -19.094 18.327 1.762 66 HD12 LEU 10 HD12 LEU 10 -17.825 17.759 2.875 67 HD13 LEU 10 HD13 LEU 10 -18.768 19.224 3.260 68 HD21 LEU 10 HD21 LEU 10 -18.777 20.291 0.314 69 HD22 LEU 10 HD22 LEU 10 -18.486 21.347 1.724 70 HD23 LEU 10 HD23 LEU 10 -17.324 21.303 0.368 71 H SER 11 H SER 11 -13.526 19.580 3.948 72 HA SER 11 HA SER 11 -13.595 21.442 6.012 73 HB2 SER 11 HB2 SER 11 -11.251 19.615 5.246 74 HB3 SER 11 HB3 SER 11 -11.498 20.356 6.848 75 HG SER 11 HG SER 11 -12.417 18.161 6.729 76 H LYS 12 H LYS 12 -11.385 21.378 3.137 77 HA LYS 12 HA LYS 12 -9.722 23.541 4.193 78 HB2 LYS 12 HB2 LYS 12 -10.119 22.561 1.298 79 HB3 LYS 12 HB3 LYS 12 -8.967 23.826 1.793 80 HG2 LYS 12 HG2 LYS 12 -7.720 22.252 3.191 81 HG3 LYS 12 HG3 LYS 12 -8.884 20.946 2.879 82 HD2 LYS 12 HD2 LYS 12 -8.386 21.021 0.442 83 HD3 LYS 12 HD3 LYS 12 -7.188 22.312 0.693 84 HE2 LYS 12 HE2 LYS 12 -6.993 19.531 2.015 85 HE3 LYS 12 HE3 LYS 12 -6.268 19.910 0.437 86 HZ1 LYS 12 HZ1 LYS 12 -4.609 20.105 2.210 87 HZ2 LYS 12 HZ2 LYS 12 -4.873 21.640 1.448 88 HZ3 LYS 12 HZ3 LYS 12 -5.545 21.308 3.027 89 H GLN 13 H GLN 13 -12.425 23.254 1.745 90 HA GLN 13 HA GLN 13 -12.303 25.987 1.031 91 HB2 GLN 13 HB2 GLN 13 -14.546 23.913 0.765 92 HB3 GLN 13 HB3 GLN 13 -14.713 25.570 0.150 93 HG2 GLN 13 HG2 GLN 13 -12.712 25.315 -1.298 94 HG3 GLN 13 HG3 GLN 13 -12.460 23.656 -0.742 95 HE21 GLN 13 HE21 GLN 13 -15.280 22.284 -2.536 96 HE22 GLN 13 HE22 GLN 13 -14.372 22.062 -1.090 97 H LYS 14 H LYS 14 -14.225 24.380 3.706 98 HA LYS 14 HA LYS 14 -15.734 26.759 4.288 99 HB2 LYS 14 HB2 LYS 14 -14.703 24.761 6.381 100 HB3 LYS 14 HB3 LYS 14 -15.927 26.037 6.594 101 HG2 LYS 14 HG2 LYS 14 -17.315 24.762 4.756 102 HG3 LYS 14 HG3 LYS 14 -16.138 23.441 4.959 103 HD2 LYS 14 HD2 LYS 14 -16.664 23.700 7.553 104 HD3 LYS 14 HD3 LYS 14 -18.098 24.590 6.996 105 HE2 LYS 14 HE2 LYS 14 -18.824 22.279 7.259 106 HE3 LYS 14 HE3 LYS 14 -18.639 22.520 5.500 107 HZ1 LYS 14 HZ1 LYS 14 -16.187 21.533 6.648 108 H ASP 15 H ASP 15 -12.561 25.411 5.499 109 HA ASP 15 HA ASP 15 -12.019 27.506 7.249 110 HB2 ASP 15 H32 ASP 15 -10.673 25.334 6.952 111 HB3 ASP 15 H33 ASP 15 -9.816 26.098 5.603 112 H GLU 16 H GLU 16 -11.318 27.275 3.695 113 HA GLU 16 HA GLU 16 -9.786 29.713 3.607 114 HB2 GLU 16 HB2 GLU 16 -11.333 28.278 1.378 115 HB3 GLU 16 HB3 GLU 16 -10.246 29.663 1.112 116 HG2 GLU 16 HG2 GLU 16 -8.313 28.413 2.041 117 HG3 GLU 16 HG3 GLU 16 -9.326 26.982 2.320 118 H GLN 17 H GLN 17 -13.344 28.997 3.143 119 HA GLN 17 HA GLN 17 -14.025 31.688 2.422 120 HB2 GLN 17 H42 GLN 17 -15.556 29.678 2.271 121 HB3 GLN 17 H43 GLN 17 -15.721 29.692 4.047 122 HG2 GLN 17 H32 GLN 17 -16.702 32.008 3.908 123 HG3 GLN 17 H33 GLN 17 -16.539 31.972 2.133 124 HE21 GLN 17 H61 GLN 17 -20.040 31.064 2.581 125 HE22 GLN 17 H62 GLN 17 -19.032 32.458 2.557 126 H ARG 18 H ARG 18 -13.545 30.024 5.594 127 HA ARG 18 HA ARG 18 -14.425 32.353 7.131 128 HB2 ARG 18 H42 ARG 18 -12.993 29.745 7.907 129 HB3 ARG 18 H43 ARG 18 -13.583 30.931 9.078 130 HG2 ARG 18 H33 ARG 18 -15.891 30.598 8.484 131 HG3 ARG 18 H32 ARG 18 -15.492 29.723 6.987 132 HD2 ARG 18 H52 ARG 18 -14.558 27.838 8.233 133 HD3 ARG 18 H53 ARG 18 -14.943 28.656 9.794 134 HE ARG 18 H10 ARG 18 -17.335 28.537 8.209 135 HH11 ARG 18 H71 ARG 18 -18.885 26.941 8.588 136 HH12 ARG 18 H72 ARG 18 -18.464 25.483 9.412 137 HH21 ARG 18 H81 ARG 18 -15.104 26.322 9.877 138 HH22 ARG 18 H82 ARG 18 -16.340 25.108 10.126 139 H ALA 19 H ALA 19 -11.365 31.367 5.734 140 HA ALA 19 HA ALA 19 -9.767 33.135 7.440 141 HB1 ALA 19 H21 ALA 19 -8.714 31.123 6.387 142 HB2 ALA 19 H22 ALA 19 -9.042 31.792 4.765 143 HB3 ALA 19 H23 ALA 19 -7.916 32.629 5.862 144 H LYS 20 H LYS 20 -11.231 33.058 4.068 145 HA LYS 20 HA LYS 20 -10.371 35.635 3.295 146 HB2 LYS 20 H42 LYS 20 -11.505 34.055 1.728 147 HB3 LYS 20 H43 LYS 20 -13.009 34.189 2.672 148 HG2 LYS 20 H23 LYS 20 -13.207 36.609 2.075 149 HG3 LYS 20 H22 LYS 20 -11.605 36.561 1.306 150 HD2 LYS 20 H33 LYS 20 -13.316 36.535 -0.433 151 HD3 LYS 20 H32 LYS 20 -12.471 34.970 -0.433 152 HE2 LYS 20 H53 LYS 20 -14.413 33.937 0.806 153 HE3 LYS 20 H52 LYS 20 -15.204 35.530 0.898 154 HZ1 LYS 20 H71 LYS 20 -14.525 34.044 -1.648 155 HZ2 LYS 20 H72 LYS 20 -16.114 34.139 -0.899 156 HZ3 LYS 20 H73 LYS 20 -15.359 35.590 -1.536 157 H LEU 21 H LEU 21 -13.119 34.507 5.470 158 HA LEU 21 HA LEU 21 -14.051 37.185 5.940 159 HB2 LEU 21 HB2 LEU 21 -13.984 34.893 7.979 160 HB3 LEU 21 HB3 LEU 21 -14.676 36.493 8.255 161 HG LEU 21 HG LEU 21 -15.730 34.489 6.174 162 HD11 LEU 21 HD11 LEU 21 -17.558 34.144 7.887 163 HD12 LEU 21 HD12 LEU 21 -15.961 33.683 8.537 164 HD13 LEU 21 HD13 LEU 21 -16.701 35.241 9.009 165 HD21 LEU 21 HD21 LEU 21 -16.880 37.135 7.268 166 HD22 LEU 21 HD22 LEU 21 -16.354 36.845 5.585 167 HD23 LEU 21 HD23 LEU 21 -17.770 35.984 6.238 168 H PHE 22 H PHE 22 -11.694 35.056 7.891 169 HA PHE 22 HA PHE 22 -11.116 36.754 9.798 170 HB2 PHE 22 HB2 PHE 22 -9.865 34.633 9.597 171 HB3 PHE 22 HB3 PHE 22 -8.918 35.265 8.255 172 HD1 PHE 22 HD1 PHE 22 -6.849 36.388 8.724 173 HD2 PHE 22 HD2 PHE 22 -9.830 36.190 11.827 174 HE1 PHE 22 HE1 PHE 22 -5.160 37.071 10.394 175 HE2 PHE 22 HE2 PHE 22 -8.158 36.951 13.476 176 HZ PHE 22 HZ PHE 22 -5.792 37.272 12.791 177 H ILE 23 H ILE 23 -9.225 37.037 6.685 178 HA ILE 23 HA ILE 23 -8.034 39.446 7.737 179 HB ILE 23 HB ILE 23 -6.932 37.839 6.073 180 HG12 ILE 23 HG12 ILE 23 -5.763 39.632 4.725 181 HG13 ILE 23 HG13 ILE 23 -6.889 40.834 5.387 182 HG21 ILE 23 HG21 ILE 23 -8.596 39.379 3.984 183 HG22 ILE 23 HG22 ILE 23 -7.375 38.120 3.663 184 HG23 ILE 23 HG23 ILE 23 -8.900 37.684 4.463 185 HD11 ILE 23 HD11 ILE 23 -5.964 40.405 7.707 186 HD12 ILE 23 HD12 ILE 23 -4.998 39.049 7.067 187 HD13 ILE 23 HD13 ILE 23 -4.637 40.728 6.577 188 H GLU 24 H GLU 24 -10.822 38.922 5.417 189 HA GLU 24 HA GLU 24 -10.930 41.778 4.828 190 HB2 GLU 24 HB2 GLU 24 -13.063 39.601 4.493 191 HB3 GLU 24 HB3 GLU 24 -13.297 41.313 4.053 192 HG2 GLU 24 HG2 GLU 24 -11.391 41.178 2.426 193 HG3 GLU 24 HG3 GLU 24 -11.096 39.489 2.910 194 H TRP 25 H TRP 25 -13.004 39.573 6.870 195 HA TRP 25 HA TRP 25 -14.368 41.301 8.452 196 HB2 TRP 25 HB2 TRP 25 -14.309 38.831 8.798 197 HB3 TRP 25 HB3 TRP 25 -12.629 38.906 9.366 198 HD1 TRP 25 HD1 TRP 25 -15.957 40.543 10.401 199 HE1 TRP 25 HE1 TRP 25 -16.135 40.399 12.930 200 HE3 TRP 25 HE3 TRP 25 -11.313 38.579 11.470 201 HZ2 TRP 25 HZ2 TRP 25 -14.707 39.440 15.063 202 HZ3 TRP 25 HZ3 TRP 25 -10.729 38.234 13.866 203 HH2 TRP 25 HH2 TRP 25 -12.446 38.537 15.636 204 H LEU 26 H LEU 26 -10.760 40.623 8.905 205 HA LEU 26 HA LEU 26 -10.664 42.329 11.188 206 HB2 LEU 26 HB2 LEU 26 -8.375 41.595 9.288 207 HB3 LEU 26 HB3 LEU 26 -8.217 42.694 10.679 208 HG LEU 26 HG LEU 26 -8.925 39.701 10.867 209 HD11 LEU 26 HD11 LEU 26 -6.553 40.148 10.280 210 HD12 LEU 26 HD12 LEU 26 -6.404 41.297 11.644 211 HD13 LEU 26 HD13 LEU 26 -6.684 39.576 11.965 212 HD21 LEU 26 HD21 LEU 26 -10.091 40.781 12.717 213 HD22 LEU 26 HD22 LEU 26 -8.637 39.993 13.337 214 HD23 LEU 26 HD23 LEU 26 -8.636 41.771 13.084 215 H AIB 27 H ALA 27 -9.823 42.831 7.672 216 HB11 AIB 27 H21 ALA 27 -8.623 46.662 7.483 217 HB12 AIB 27 H22 ALA 27 -8.905 46.010 9.113 218 HB13 AIB 27 H23 ALA 27 -7.886 45.109 7.971 219 HB21 AIB 27 H31 ALA 27 -8.894 44.168 5.757 220 HB22 AIB 27 H32 ALA 27 -10.658 44.167 5.521 221 HB23 AIB 27 H33 ALA 27 -9.758 45.694 5.427 222 H ALA 28 H ALA 28 -12.513 44.123 7.479 223 HA ALA 28 HA ALA 28 -13.846 46.599 7.040 224 HB1 ALA 28 H21 ALA 28 -14.776 43.980 8.405 225 HB2 ALA 28 H22 ALA 28 -15.852 45.378 8.174 226 HB3 ALA 28 H23 ALA 28 -15.137 44.550 6.763 227 H GLY 29 H GLY 29 -13.221 44.725 10.061 228 HA2 GLY 29 HA2 GLY 29 -12.162 46.482 11.732 229 HA3 GLY 29 HA3 GLY 29 -13.818 47.136 11.713 230 H GLY 30 H GLY 30 -12.231 43.873 11.857 231 HA2 GLY 30 HA2 GLY 30 -13.222 41.971 12.882 232 HA3 GLY 30 HA3 GLY 30 -12.214 42.815 14.042 233 HA PRO 31 HA PRO 31 -16.282 41.952 16.082 234 HB2 PRO 31 HB2 PRO 31 -14.744 43.102 18.469 235 HB3 PRO 31 HB3 PRO 31 -15.828 41.681 18.400 236 HG2 PRO 31 HG2 PRO 31 -13.111 41.317 18.391 237 HG3 PRO 31 HG3 PRO 31 -14.174 40.362 17.309 238 HD2 PRO 31 HD2 PRO 31 -12.457 42.802 16.523 239 HD3 PRO 31 HD3 PRO 31 -12.665 41.228 15.703 240 HA PRO 32 HA PRO 32 -16.696 46.694 17.430 241 HB2 PRO 32 HB2 PRO 32 -14.938 47.506 15.026 242 HB3 PRO 32 HB3 PRO 32 -15.382 48.506 16.450 243 HG2 PRO 32 HG2 PRO 32 -12.991 47.285 16.518 244 HG3 PRO 32 HG3 PRO 32 -14.074 47.042 17.925 245 HD2 PRO 32 HD3 PRO 32 -13.627 45.153 15.573 246 HD3 PRO 32 HD2 PRO 32 -13.625 44.774 17.333 247 H SER 33 H SER 33 -16.398 45.441 13.984 248 HA SER 33 HA SER 33 -18.664 47.019 13.088 249 HB2 SER 33 HB2 SER 33 -17.532 44.469 11.851 250 HB3 SER 33 HB3 SER 33 -18.505 45.729 11.021 251 HG SER 33 HG SER 33 -16.164 46.038 10.694 252 H AIB 34 H AIB 34 -18.675 44.273 15.198 253 HB11 AIB 34 H31 AIB 34 -22.684 43.481 15.531 254 HB12 AIB 34 H32 AIB 34 -21.702 44.887 16.018 255 HB13 AIB 34 H33 AIB 34 -22.245 44.715 14.331 256 HB21 AIB 34 H21 AIB 34 -19.292 41.947 16.005 257 HB22 AIB 34 H22 AIB 34 -20.073 43.191 17.012 258 HB23 AIB 34 H23 AIB 34 -21.027 41.819 16.386 259 H LYS 35 H LYS 35 -18.672 42.134 13.652 260 HA LYS 35 HA LYS 35 -20.562 40.494 11.999 261 HB2 LYS 35 H42 LYS 35 -17.888 41.823 11.309 262 HB3 LYS 35 H43 LYS 35 -18.601 40.540 10.300 263 HG2 LYS 35 H23 LYS 35 -20.615 41.893 9.891 264 HG3 LYS 35 H22 LYS 35 -20.042 43.171 10.983 265 HD2 LYS 35 H33 LYS 35 -18.131 43.647 9.464 266 HD3 LYS 35 H32 LYS 35 -18.607 42.322 8.399 267 HE2 LYS 35 H53 LYS 35 -20.742 43.489 7.885 268 HE3 LYS 35 H52 LYS 35 -20.358 44.771 9.036 269 HZ1 LYS 35 H71 LYS 35 -18.414 45.405 7.700 270 HZ2 LYS 35 H72 LYS 35 -18.750 44.082 6.570 271 HZ3 LYS 35 H73 LYS 35 -19.887 45.432 6.720 272 HA PRO 36 HA PRO 36 -18.826 37.561 14.573 273 HB2 PRO 36 HB2 PRO 36 -18.926 35.125 13.160 274 HB3 PRO 36 HB3 PRO 36 -20.385 36.079 13.566 275 HG2 PRO 36 HG2 PRO 36 -18.784 36.224 10.974 276 HG3 PRO 36 HG3 PRO 36 -20.524 35.831 11.126 277 HD2 PRO 36 HD2 PRO 36 -19.773 38.403 10.604 278 HD3 PRO 36 HD3 PRO 36 -21.038 38.122 11.861 279 HA PRO 37 HA PRO 37 -14.451 36.731 13.679 280 HB2 PRO 37 HB2 PRO 37 -13.834 34.804 15.591 281 HB3 PRO 37 HB3 PRO 37 -14.416 36.420 16.076 282 HG2 PRO 37 HG2 PRO 37 -16.143 33.922 15.647 283 HG3 PRO 37 HG3 PRO 37 -15.995 34.838 17.180 284 HD2 PRO 37 HD2 PRO 37 -18.027 35.383 15.433 285 HD3 PRO 37 HD3 PRO 37 -17.164 36.767 16.208 286 HA PRO 38 HA PRO 38 -14.321 33.449 10.703 287 HB2 PRO 38 HB2 PRO 38 -12.309 31.933 12.478 288 HB3 PRO 38 HB3 PRO 38 -12.251 32.135 10.700 289 HG2 PRO 38 HG2 PRO 38 -10.721 33.803 12.113 290 HG3 PRO 38 HG3 PRO 38 -11.868 34.554 10.947 291 HD2 PRO 38 HD2 PRO 38 -12.288 34.201 13.951 292 HD3 PRO 38 HD3 PRO 38 -12.451 35.723 12.986 293 H LYS 39 H LYS 39 -14.513 32.208 14.123 294 HA LYS 39 HA LYS 39 -16.425 30.083 13.148 295 HB2 LYS 39 H42 LYS 39 -14.789 30.126 15.731 296 HB3 LYS 39 H43 LYS 39 -15.829 28.814 15.120 297 HG2 LYS 39 H23 LYS 39 -14.318 28.552 13.121 298 HG3 LYS 39 H22 LYS 39 -13.274 29.851 13.740 299 HD2 LYS 39 H33 LYS 39 -12.789 28.523 15.792 300 HD3 LYS 39 H32 LYS 39 -13.825 27.203 15.212 301 HE2 LYS 39 H53 LYS 39 -12.325 26.932 13.208 302 HE3 LYS 39 H52 LYS 39 -11.307 28.259 13.792 303 HZ1 LYS 39 H71 LYS 39 -10.826 26.966 15.830 304 HZ2 LYS 39 H73 LYS 39 -10.320 26.119 14.368 305 HZ3 LYS 39 H72 LYS 39 -11.798 25.630 15.200 306 HN1 NH2 40 H11 LYS 39 -18.469 32.799 14.582 307 HN2 NH2 40 H12 LYS 39 -17.507 32.607 13.168 308 H93 EVT 101 H93 XXX 40 -13.170 21.789 8.546 309 H92 EVT 101 H92 XXX 40 -13.283 22.152 10.288 310 H103 EVT 101 H103 XXX 40 -12.161 19.546 9.095 311 H102 EVT 101 H102 XXX 40 -11.193 20.893 9.736 312 H11 EVT 101 H11 XXX 40 -13.247 19.254 11.332 313 H122 EVT 101 H122 XXX 40 -11.668 22.284 14.369 314 H123 EVT 101 H123 XXX 40 -13.378 22.761 14.265 315 H133 EVT 101 H133 XXX 40 -13.957 20.997 15.967 316 H132 EVT 101 H132 XXX 40 -12.691 22.094 16.579 317 H143 EVT 101 H143 XXX 40 -10.919 20.431 15.911 318 H142 EVT 101 H142 XXX 40 -12.185 19.337 15.294 319 H153 EVT 101 H153 XXX 40 -13.140 19.107 17.586 320 H152 EVT 101 H152 XXX 40 -11.862 20.168 18.248 321 H6 EVT 101 H6 XXX 40 -14.307 19.545 7.891 322 H163 EVT 101 H163 XXX 40 -10.096 18.589 17.474 323 H162 EVT 101 H162 XXX 40 -11.338 17.586 16.690 324 H173 EVT 101 H173 XXX 40 -12.339 17.025 18.929 325 H172 EVT 101 H172 XXX 40 -11.163 18.113 19.705 326 H183 EVT 101 H183 XXX 40 -10.412 15.772 19.984 327 H182 EVT 101 H182 XXX 40 -9.283 16.643 18.922 328 H193 EVT 101 H193 XXX 40 -10.426 15.545 16.912 329 H192 EVT 101 H192 XXX 40 -11.496 14.669 18.036 330 H203 EVT 101 H203 XXX 40 -9.447 13.538 19.021 331 H202 EVT 101 H202 XXX 40 -8.419 14.464 17.891 332 H213 EVT 101 H213 XXX 40 -9.675 13.436 15.946 333 H212 EVT 101 H212 XXX 40 -10.596 12.435 17.100 334 H223 EVT 101 H223 XXX 40 -8.464 11.328 17.834 335 H222 EVT 101 H222 XXX 40 -7.521 12.388 16.760 336 H25 EVT 101 H25 XXX 40 -11.337 21.416 12.193 337 H293 EVT 101 H293 XXX 40 -8.726 11.487 14.772 338 H292 EVT 101 H292 XXX 40 -9.672 10.386 15.809 339 H303 EVT 101 H303 XXX 40 -7.519 9.293 16.566 340 H302 EVT 101 H302 XXX 40 -6.614 10.349 15.453 341 H313 EVT 101 H313 XXX 40 -8.708 8.211 14.671 342 H312 EVT 101 H312 XXX 40 -6.944 8.125 14.456 343 H321 EVT 101 H321 XXX 40 -8.932 9.970 12.965 344 H323 EVT 101 H323 XXX 40 -7.905 8.700 12.272 345 H322 EVT 101 H322 XXX 40 -7.159 10.197 12.894 346 H353 EVT 101 H353 XXX 40 -15.563 19.360 5.825 347 H352 EVT 101 H352 XXX 40 -16.849 18.274 5.275 348 H363 EVT 101 H363 XXX 40 -15.710 17.415 7.337 349 H362 EVT 101 H362 XXX 40 -17.465 17.655 7.530 350 H37 EVT 101 H37 XXX 40 -17.057 19.800 8.734 Start of MODEL 7 1 H1 HIS 1 H1 HIS 1 -9.715 3.879 1.710 2 H2 HIS 1 H2 HIS 1 -10.664 2.433 1.460 3 H3 HIS 1 H3 HIS 1 -10.979 3.855 0.518 4 HA HIS 1 HA HIS 1 -12.680 3.605 2.236 5 HB2 HIS 1 HB2 HIS 1 -11.399 2.329 3.921 6 HB3 HIS 1 HB3 HIS 1 -10.276 3.686 4.147 7 HD1 HIS 1 HD1 HIS 1 -14.080 3.344 4.322 8 HD2 HIS 1 HD2 HIS 1 -10.803 4.881 6.460 9 HE1 HIS 1 HE1 HIS 1 -15.053 4.407 6.395 10 H AIB 2 H AIB 2 -13.692 5.614 3.095 11 HB11 AIB 2 H31 AIB 2 -14.330 9.180 3.480 12 HB12 AIB 2 H32 AIB 2 -15.166 7.682 2.986 13 HB13 AIB 2 H33 AIB 2 -14.292 7.743 4.538 14 HB21 AIB 2 H21 AIB 2 -13.190 9.097 1.183 15 HB22 AIB 2 H22 AIB 2 -12.111 7.741 0.759 16 HB23 AIB 2 H23 AIB 2 -13.877 7.497 0.780 17 H GLN 3 H GLN 3 -12.019 7.063 5.151 18 HA GLN 3 HA GLN 3 -10.442 8.085 6.528 19 HB2 GLN 3 H42 GLN 3 -8.967 8.454 3.861 20 HB3 GLN 3 H43 GLN 3 -8.239 8.639 5.472 21 HG2 GLN 3 H32 GLN 3 -8.664 6.263 6.006 22 HG3 GLN 3 H33 GLN 3 -9.574 6.043 4.494 23 HE21 GLN 3 H61 GLN 3 -5.434 6.276 4.377 24 HE22 GLN 3 H62 GLN 3 -6.261 6.902 5.753 25 H GLY 4 H GLY 4 -12.717 9.578 5.986 26 HA2 GLY 4 HA2 GLY 4 -13.492 11.749 6.057 27 HA3 GLY 4 HA3 GLY 4 -11.959 12.060 6.908 28 H THR 5 H THR 5 -12.512 11.161 3.382 29 HA THR 5 HA THR 5 -10.772 13.354 2.595 30 HB THR 5 HB THR 5 -12.629 11.609 0.891 31 HG1 THR 5 HG1 THR 5 -10.579 10.497 0.536 32 HG21 THR 5 HG21 THR 5 -10.353 13.539 0.079 33 HG22 THR 5 HG22 THR 5 -11.154 12.384 -1.021 34 HG23 THR 5 HG23 THR 5 -12.085 13.729 -0.318 35 H PHE 6 H PHE 6 -14.387 12.742 2.265 36 HA PHE 6 HA PHE 6 -14.732 15.266 0.941 37 HB2 PHE 6 HB2 PHE 6 -16.407 13.526 0.566 38 HB3 PHE 6 HB3 PHE 6 -16.756 13.406 2.304 39 HD1 PHE 6 HD1 PHE 6 -18.717 14.558 3.039 40 HD2 PHE 6 HD2 PHE 6 -16.592 16.121 -0.367 41 HE1 PHE 6 HE1 PHE 6 -20.518 16.201 2.662 42 HE2 PHE 6 HE2 PHE 6 -18.320 17.866 -0.637 43 HZ PHE 6 HZ PHE 6 -20.313 17.884 0.845 44 H THR 7 H THR 7 -15.377 14.204 4.405 45 HA THR 7 HA THR 7 -16.390 16.719 5.161 46 HB THR 7 HB THR 7 -16.393 14.615 6.638 47 HG1 THR 7 HG1 THR 7 -16.914 16.729 7.515 48 HG21 THR 7 HG21 THR 7 -13.901 14.111 6.448 49 HG22 THR 7 HG22 THR 7 -13.560 15.573 7.420 50 HG23 THR 7 HG23 THR 7 -14.462 14.218 8.136 51 H SER 8 H SER 8 -12.958 15.593 4.717 52 HA SER 8 HA SER 8 -11.830 17.886 6.008 53 HB2 SER 8 HB2 SER 8 -10.450 15.889 5.554 54 HB3 SER 8 HB3 SER 8 -10.633 16.116 3.795 55 HG SER 8 HG SER 8 -9.480 18.175 4.132 56 H ASP 9 H ASP 9 -12.882 17.178 2.555 57 HA ASP 9 HA ASP 9 -11.719 19.574 1.535 58 HB2 ASP 9 HB2 ASP 9 -14.172 18.023 0.489 59 HB3 ASP 9 HB3 ASP 9 -13.279 19.278 -0.410 60 H LEU 10 H LEU 10 -15.102 18.828 2.822 61 HA LEU 10 HA LEU 10 -16.053 21.464 2.558 62 HB2 LEU 10 HB2 LEU 10 -16.539 19.441 4.840 63 HB3 LEU 10 HB3 LEU 10 -17.373 21.006 4.752 64 HG LEU 10 HG LEU 10 -17.603 18.810 2.598 65 HD11 LEU 10 HD11 LEU 10 -19.466 19.577 4.935 66 HD12 LEU 10 HD12 LEU 10 -19.903 18.468 3.613 67 HD13 LEU 10 HD13 LEU 10 -18.585 18.030 4.729 68 HD21 LEU 10 HD21 LEU 10 -19.169 21.429 3.066 69 HD22 LEU 10 HD22 LEU 10 -18.117 21.089 1.661 70 HD23 LEU 10 HD23 LEU 10 -19.620 20.178 1.879 71 H SER 11 H SER 11 -14.125 19.982 5.310 72 HA SER 11 HA SER 11 -14.199 22.394 6.815 73 HB2 SER 11 HB2 SER 11 -12.085 20.160 6.831 74 HB3 SER 11 HB3 SER 11 -12.165 21.489 8.007 75 HG SER 11 HG SER 11 -14.271 19.581 7.638 76 H LYS 12 H LYS 12 -12.097 21.421 4.042 77 HA LYS 12 HA LYS 12 -10.277 23.666 4.481 78 HB2 LYS 12 HB2 LYS 12 -10.811 21.968 1.978 79 HB3 LYS 12 HB3 LYS 12 -9.622 23.290 2.052 80 HG2 LYS 12 HG2 LYS 12 -8.346 22.161 3.809 81 HG3 LYS 12 HG3 LYS 12 -9.535 20.847 3.932 82 HD2 LYS 12 HD2 LYS 12 -9.079 20.095 1.654 83 HD3 LYS 12 HD3 LYS 12 -7.981 21.462 1.338 84 HE2 LYS 12 HE2 LYS 12 -7.455 19.330 3.503 85 HE3 LYS 12 HE3 LYS 12 -6.867 19.202 1.827 86 HZ1 LYS 12 HZ1 LYS 12 -5.578 21.271 2.116 87 HZ2 LYS 12 HZ2 LYS 12 -6.093 21.401 3.777 88 HZ3 LYS 12 HZ3 LYS 12 -5.119 20.065 3.265 89 H GLN 13 H GLN 13 -13.301 23.037 2.499 90 HA GLN 13 HA GLN 13 -13.353 25.585 1.246 91 HB2 GLN 13 HB2 GLN 13 -15.734 23.886 2.223 92 HB3 GLN 13 HB3 GLN 13 -15.873 25.360 1.240 93 HG2 GLN 13 HG2 GLN 13 -14.520 24.244 -0.581 94 HG3 GLN 13 HG3 GLN 13 -14.511 22.746 0.380 95 HE21 GLN 13 HE21 GLN 13 -17.283 22.251 -1.948 96 HE22 GLN 13 HE22 GLN 13 -15.560 22.327 -2.031 97 H LYS 14 H LYS 14 -14.589 24.497 4.516 98 HA LYS 14 HA LYS 14 -15.808 27.006 5.095 99 HB2 LYS 14 HB2 LYS 14 -14.667 25.041 7.178 100 HB3 LYS 14 HB3 LYS 14 -15.747 26.427 7.461 101 HG2 LYS 14 HG2 LYS 14 -17.416 25.228 5.826 102 HG3 LYS 14 HG3 LYS 14 -16.378 23.792 6.004 103 HD2 LYS 14 HD2 LYS 14 -16.629 24.078 8.571 104 HD3 LYS 14 HD3 LYS 14 -17.872 25.300 8.197 105 HE2 LYS 14 HE2 LYS 14 -19.154 23.297 8.463 106 HE3 LYS 14 HE3 LYS 14 -18.964 23.372 6.691 107 HZ1 LYS 14 HZ1 LYS 14 -16.798 21.861 7.713 108 H ASP 15 H ASP 15 -12.586 25.525 6.037 109 HA ASP 15 HA ASP 15 -11.706 27.664 7.539 110 HB2 ASP 15 H32 ASP 15 -10.432 25.489 7.244 111 HB3 ASP 15 H33 ASP 15 -9.875 26.042 5.653 112 H GLU 16 H GLU 16 -11.395 27.180 3.937 113 HA GLU 16 HA GLU 16 -9.857 29.554 3.532 114 HB2 GLU 16 HB2 GLU 16 -11.613 27.937 1.610 115 HB3 GLU 16 HB3 GLU 16 -10.701 29.381 1.095 116 HG2 GLU 16 HG2 GLU 16 -8.555 28.360 1.750 117 HG3 GLU 16 HG3 GLU 16 -9.394 26.955 2.452 118 H GLN 17 H GLN 17 -13.502 29.041 3.391 119 HA GLN 17 HA GLN 17 -13.920 31.780 2.572 120 HB2 GLN 17 H42 GLN 17 -15.664 29.975 2.332 121 HB3 GLN 17 H43 GLN 17 -15.868 29.965 4.101 122 HG2 GLN 17 H32 GLN 17 -16.487 32.461 3.970 123 HG3 GLN 17 H33 GLN 17 -16.371 32.368 2.201 124 HE21 GLN 17 H61 GLN 17 -19.374 30.347 1.836 125 HE22 GLN 17 H62 GLN 17 -17.832 30.584 1.104 126 H ARG 18 H ARG 18 -13.901 30.086 5.770 127 HA ARG 18 HA ARG 18 -14.472 32.420 7.330 128 HB2 ARG 18 H42 ARG 18 -13.069 29.764 8.039 129 HB3 ARG 18 H43 ARG 18 -13.449 31.047 9.206 130 HG2 ARG 18 H33 ARG 18 -15.871 30.852 8.700 131 HG3 ARG 18 H32 ARG 18 -15.564 29.577 7.497 132 HD2 ARG 18 H52 ARG 18 -14.755 28.024 9.221 133 HD3 ARG 18 H53 ARG 18 -14.741 29.355 10.427 134 HE ARG 18 H10 ARG 18 -17.398 29.020 9.325 135 HH11 ARG 18 H71 ARG 18 -18.987 28.162 10.669 136 HH12 ARG 18 H72 ARG 18 -18.563 27.203 12.040 137 HH21 ARG 18 H81 ARG 18 -15.108 27.437 11.555 138 HH22 ARG 18 H82 ARG 18 -16.390 26.817 12.577 139 H ALA 19 H ALA 19 -11.483 31.341 5.781 140 HA ALA 19 HA ALA 19 -9.778 33.048 7.449 141 HB1 ALA 19 H21 ALA 19 -8.793 30.995 6.447 142 HB2 ALA 19 H22 ALA 19 -9.142 31.609 4.806 143 HB3 ALA 19 H23 ALA 19 -7.974 32.464 5.845 144 H LYS 20 H LYS 20 -11.223 33.010 4.069 145 HA LYS 20 HA LYS 20 -10.260 35.547 3.289 146 HB2 LYS 20 H42 LYS 20 -11.497 34.068 1.716 147 HB3 LYS 20 H43 LYS 20 -12.971 34.211 2.713 148 HG2 LYS 20 H23 LYS 20 -13.181 36.612 2.182 149 HG3 LYS 20 H22 LYS 20 -11.595 36.605 1.365 150 HD2 LYS 20 H33 LYS 20 -13.431 36.599 -0.292 151 HD3 LYS 20 H32 LYS 20 -12.474 35.102 -0.420 152 HE2 LYS 20 H53 LYS 20 -14.240 33.819 0.772 153 HE3 LYS 20 H52 LYS 20 -15.150 35.317 1.104 154 HZ1 LYS 20 H71 LYS 20 -16.071 34.046 -0.782 155 HZ2 LYS 20 H72 LYS 20 -15.493 35.625 -1.297 156 HZ3 LYS 20 H73 LYS 20 -14.538 34.184 -1.637 157 H LEU 21 H LEU 21 -13.091 34.569 5.428 158 HA LEU 21 HA LEU 21 -13.906 37.273 5.893 159 HB2 LEU 21 HB2 LEU 21 -13.966 34.932 7.893 160 HB3 LEU 21 HB3 LEU 21 -14.581 36.556 8.217 161 HG LEU 21 HG LEU 21 -15.701 34.674 6.072 162 HD11 LEU 21 HD11 LEU 21 -17.560 34.350 7.707 163 HD12 LEU 21 HD12 LEU 21 -16.030 33.850 8.463 164 HD13 LEU 21 HD13 LEU 21 -16.751 35.423 8.881 165 HD21 LEU 21 HD21 LEU 21 -17.679 36.316 6.170 166 HD22 LEU 21 HD22 LEU 21 -16.687 37.400 7.177 167 HD23 LEU 21 HD23 LEU 21 -16.211 37.055 5.491 168 H PHE 22 H PHE 22 -11.643 35.055 7.808 169 HA PHE 22 HA PHE 22 -11.114 36.711 9.771 170 HB2 PHE 22 HB2 PHE 22 -9.967 34.469 9.481 171 HB3 PHE 22 HB3 PHE 22 -8.894 35.187 8.283 172 HD1 PHE 22 HD1 PHE 22 -6.867 34.584 9.386 173 HD2 PHE 22 HD2 PHE 22 -9.814 36.771 11.634 174 HE1 PHE 22 HE1 PHE 22 -5.182 35.120 11.103 175 HE2 PHE 22 HE2 PHE 22 -8.095 37.431 13.249 176 HZ PHE 22 HZ PHE 22 -5.764 36.614 13.001 177 H ILE 23 H ILE 23 -9.130 36.971 6.718 178 HA ILE 23 HA ILE 23 -7.999 39.416 7.741 179 HB ILE 23 HB ILE 23 -6.836 37.896 6.056 180 HG12 ILE 23 HG12 ILE 23 -5.786 39.715 4.698 181 HG13 ILE 23 HG13 ILE 23 -7.030 40.865 5.241 182 HG21 ILE 23 HG21 ILE 23 -8.649 39.274 3.985 183 HG22 ILE 23 HG22 ILE 23 -7.350 38.098 3.662 184 HG23 ILE 23 HG23 ILE 23 -8.828 37.572 4.491 185 HD11 ILE 23 HD11 ILE 23 -5.083 39.374 7.127 186 HD12 ILE 23 HD12 ILE 23 -4.795 41.006 6.464 187 HD13 ILE 23 HD13 ILE 23 -6.149 40.743 7.579 188 H GLU 24 H GLU 24 -10.792 38.817 5.450 189 HA GLU 24 HA GLU 24 -10.946 41.642 4.807 190 HB2 GLU 24 HB2 GLU 24 -13.073 39.435 4.578 191 HB3 GLU 24 HB3 GLU 24 -13.340 41.138 4.124 192 HG2 GLU 24 HG2 GLU 24 -11.530 41.013 2.434 193 HG3 GLU 24 HG3 GLU 24 -11.121 39.360 2.949 194 H TRP 25 H TRP 25 -13.056 39.548 6.926 195 HA TRP 25 HA TRP 25 -14.345 41.338 8.488 196 HB2 TRP 25 HB2 TRP 25 -14.350 38.877 8.856 197 HB3 TRP 25 HB3 TRP 25 -12.662 38.910 9.423 198 HD1 TRP 25 HD1 TRP 25 -15.983 40.589 10.451 199 HE1 TRP 25 HE1 TRP 25 -16.180 40.425 12.985 200 HE3 TRP 25 HE3 TRP 25 -11.348 38.641 11.521 201 HZ2 TRP 25 HZ2 TRP 25 -14.768 39.437 15.116 202 HZ3 TRP 25 HZ3 TRP 25 -10.753 38.313 13.935 203 HH2 TRP 25 HH2 TRP 25 -12.483 38.568 15.695 204 H LEU 26 H LEU 26 -10.752 40.574 8.941 205 HA LEU 26 HA LEU 26 -10.587 42.337 11.204 206 HB2 LEU 26 HB2 LEU 26 -8.345 41.517 9.289 207 HB3 LEU 26 HB3 LEU 26 -8.146 42.643 10.650 208 HG LEU 26 HG LEU 26 -8.822 39.654 10.869 209 HD11 LEU 26 HD11 LEU 26 -6.441 40.294 10.340 210 HD12 LEU 26 HD12 LEU 26 -6.405 41.260 11.843 211 HD13 LEU 26 HD13 LEU 26 -6.626 39.487 11.923 212 HD21 LEU 26 HD21 LEU 26 -10.075 40.697 12.688 213 HD22 LEU 26 HD22 LEU 26 -8.588 40.007 13.354 214 HD23 LEU 26 HD23 LEU 26 -8.696 41.773 13.072 215 H AIB 27 H ALA 27 -9.769 42.742 7.659 216 HB11 AIB 27 H21 ALA 27 -8.567 46.557 7.381 217 HB12 AIB 27 H22 ALA 27 -8.817 45.879 9.010 218 HB13 AIB 27 H23 ALA 27 -7.821 44.990 7.827 219 HB21 AIB 27 H31 ALA 27 -8.929 44.008 5.690 220 HB22 AIB 27 H32 ALA 27 -10.701 44.094 5.503 221 HB23 AIB 27 H33 ALA 27 -9.726 45.574 5.372 222 H ALA 28 H ALA 28 -12.475 44.027 7.524 223 HA ALA 28 HA ALA 28 -13.796 46.501 7.067 224 HB1 ALA 28 H21 ALA 28 -14.828 44.022 8.641 225 HB2 ALA 28 H22 ALA 28 -15.816 45.382 8.049 226 HB3 ALA 28 H23 ALA 28 -14.989 44.296 6.890 227 H GLY 29 H GLY 29 -13.093 44.682 10.108 228 HA2 GLY 29 HA2 GLY 29 -12.043 46.418 11.778 229 HA3 GLY 29 HA3 GLY 29 -13.673 47.130 11.725 230 H GLY 30 H GLY 30 -12.185 43.811 11.930 231 HA2 GLY 30 HA2 GLY 30 -13.254 41.944 12.941 232 HA3 GLY 30 HA3 GLY 30 -12.248 42.770 14.115 233 HA PRO 31 HA PRO 31 -16.367 41.971 16.054 234 HB2 PRO 31 HB2 PRO 31 -14.922 43.134 18.481 235 HB3 PRO 31 HB3 PRO 31 -16.005 41.731 18.389 236 HG2 PRO 31 HG2 PRO 31 -13.293 41.327 18.464 237 HG3 PRO 31 HG3 PRO 31 -14.316 40.377 17.358 238 HD2 PRO 31 HD2 PRO 31 -12.576 42.800 16.595 239 HD3 PRO 31 HD3 PRO 31 -12.775 41.229 15.774 240 HA PRO 32 HA PRO 32 -16.834 46.723 17.367 241 HB2 PRO 32 HB2 PRO 32 -14.967 47.517 15.043 242 HB3 PRO 32 HB3 PRO 32 -15.446 48.534 16.439 243 HG2 PRO 32 HG2 PRO 32 -13.060 47.277 16.603 244 HG3 PRO 32 HG3 PRO 32 -14.197 47.047 17.972 245 HD2 PRO 32 HD3 PRO 32 -13.685 45.130 15.636 246 HD3 PRO 32 HD2 PRO 32 -13.749 44.772 17.400 247 H SER 33 H SER 33 -16.333 45.404 13.980 248 HA SER 33 HA SER 33 -18.466 46.961 12.848 249 HB2 SER 33 HB2 SER 33 -17.364 44.249 11.923 250 HB3 SER 33 HB3 SER 33 -18.312 45.410 10.936 251 HG SER 33 HG SER 33 -15.970 45.697 10.649 252 H AIB 34 H AIB 34 -18.722 44.337 15.145 253 HB11 AIB 34 H31 AIB 34 -21.803 45.175 15.747 254 HB12 AIB 34 H32 AIB 34 -22.274 44.857 14.059 255 HB13 AIB 34 H33 AIB 34 -22.793 43.747 15.337 256 HB21 AIB 34 H21 AIB 34 -19.498 42.172 16.143 257 HB22 AIB 34 H22 AIB 34 -20.321 43.492 17.008 258 HB23 AIB 34 H23 AIB 34 -21.258 42.103 16.391 259 H LYS 35 H LYS 35 -18.745 42.083 13.826 260 HA LYS 35 HA LYS 35 -20.636 40.416 12.224 261 HB2 LYS 35 H42 LYS 35 -17.955 41.676 11.411 262 HB3 LYS 35 H43 LYS 35 -18.759 40.389 10.473 263 HG2 LYS 35 H23 LYS 35 -20.754 41.870 10.146 264 HG3 LYS 35 H22 LYS 35 -19.973 43.149 11.117 265 HD2 LYS 35 H33 LYS 35 -18.096 43.295 9.449 266 HD3 LYS 35 H32 LYS 35 -18.868 42.015 8.472 267 HE2 LYS 35 H53 LYS 35 -20.885 43.468 8.138 268 HE3 LYS 35 H52 LYS 35 -20.154 44.743 9.150 269 HZ1 LYS 35 H71 LYS 35 -18.314 44.953 7.545 270 HZ2 LYS 35 H72 LYS 35 -19.015 43.680 6.553 271 HZ3 LYS 35 H73 LYS 35 -19.868 45.203 6.764 272 HA PRO 36 HA PRO 36 -18.739 37.559 14.832 273 HB2 PRO 36 HB2 PRO 36 -18.918 35.099 13.477 274 HB3 PRO 36 HB3 PRO 36 -20.361 36.041 13.969 275 HG2 PRO 36 HG2 PRO 36 -18.926 36.199 11.268 276 HG3 PRO 36 HG3 PRO 36 -20.639 35.740 11.526 277 HD2 PRO 36 HD2 PRO 36 -20.041 38.344 10.950 278 HD3 PRO 36 HD3 PRO 36 -21.168 38.036 12.328 279 HA PRO 37 HA PRO 37 -14.439 36.810 13.652 280 HB2 PRO 37 HB2 PRO 37 -13.664 34.862 15.527 281 HB3 PRO 37 HB3 PRO 37 -14.175 36.497 16.024 282 HG2 PRO 37 HG2 PRO 37 -15.923 33.991 15.827 283 HG3 PRO 37 HG3 PRO 37 -15.662 34.982 17.290 284 HD2 PRO 37 HD2 PRO 37 -17.842 35.431 15.668 285 HD3 PRO 37 HD3 PRO 37 -16.943 36.840 16.350 286 HA PRO 38 HA PRO 38 -14.192 33.631 10.616 287 HB2 PRO 38 HB2 PRO 38 -12.179 32.170 12.448 288 HB3 PRO 38 HB3 PRO 38 -12.103 32.298 10.666 289 HG2 PRO 38 HG2 PRO 38 -10.647 34.091 11.973 290 HG3 PRO 38 HG3 PRO 38 -11.872 34.736 10.827 291 HD2 PRO 38 HD2 PRO 38 -12.176 34.450 13.843 292 HD3 PRO 38 HD3 PRO 38 -12.440 35.934 12.849 293 H LYS 39 H LYS 39 -14.294 32.031 13.946 294 HA LYS 39 HA LYS 39 -15.606 29.691 13.017 295 HB2 LYS 39 H42 LYS 39 -15.811 31.145 15.718 296 HB3 LYS 39 H43 LYS 39 -16.680 29.630 15.365 297 HG2 LYS 39 H23 LYS 39 -14.584 28.426 14.886 298 HG3 LYS 39 H22 LYS 39 -13.621 29.900 15.179 299 HD2 LYS 39 H33 LYS 39 -14.329 29.955 17.550 300 HD3 LYS 39 H32 LYS 39 -15.458 28.593 17.296 301 HE2 LYS 39 H53 LYS 39 -13.550 27.075 16.747 302 HE3 LYS 39 H52 LYS 39 -12.397 28.424 16.948 303 HZ1 LYS 39 H71 LYS 39 -12.533 26.961 18.934 304 HZ2 LYS 39 H73 LYS 39 -14.229 27.370 19.119 305 HZ3 LYS 39 H72 LYS 39 -13.001 28.613 19.292 306 HN1 NH2 40 H11 LYS 39 -18.579 32.576 13.325 307 HN2 NH2 40 H12 LYS 39 -17.029 32.932 13.976 308 H93 EVT 101 H93 XXX 40 -12.965 18.280 9.584 309 H92 EVT 101 H92 XXX 40 -12.625 18.274 11.328 310 H103 EVT 101 H103 XXX 40 -14.354 16.229 9.822 311 H102 EVT 101 H102 XXX 40 -12.695 15.964 10.399 312 H11 EVT 101 H11 XXX 40 -15.072 16.640 12.222 313 H122 EVT 101 H122 XXX 40 -11.783 16.673 15.224 314 H123 EVT 101 H123 XXX 40 -13.099 16.392 16.382 315 H133 EVT 101 H133 XXX 40 -11.539 14.224 14.829 316 H132 EVT 101 H132 XXX 40 -12.960 13.899 15.864 317 H143 EVT 101 H143 XXX 40 -11.761 14.763 17.865 318 H142 EVT 101 H142 XXX 40 -10.327 15.149 16.874 319 H153 EVT 101 H153 XXX 40 -9.995 12.753 16.329 320 H152 EVT 101 H152 XXX 40 -11.523 12.322 17.135 321 H6 EVT 101 H6 XXX 40 -15.630 18.114 9.180 322 H163 EVT 101 H163 XXX 40 -10.593 13.006 19.348 323 H162 EVT 101 H162 XXX 40 -9.059 13.488 18.570 324 H173 EVT 101 H173 XXX 40 -8.665 11.143 17.820 325 H172 EVT 101 H172 XXX 40 -10.269 10.650 18.414 326 H183 EVT 101 H183 XXX 40 -8.529 9.869 19.916 327 H182 EVT 101 H182 XXX 40 -9.592 11.014 20.762 328 H193 EVT 101 H193 XXX 40 -7.914 12.758 20.753 329 H192 EVT 101 H192 XXX 40 -6.904 11.908 19.553 330 H203 EVT 101 H203 XXX 40 -6.400 10.101 21.156 331 H202 EVT 101 H202 XXX 40 -7.505 10.798 22.368 332 H213 EVT 101 H213 XXX 40 -6.059 12.799 22.596 333 H212 EVT 101 H212 XXX 40 -4.970 12.201 21.315 334 H223 EVT 101 H223 XXX 40 -4.451 10.176 22.698 335 H222 EVT 101 H222 XXX 40 -5.531 10.765 23.989 336 H25 EVT 101 H25 XXX 40 -12.251 16.215 12.848 337 H293 EVT 101 H293 XXX 40 -4.088 12.843 24.198 338 H292 EVT 101 H292 XXX 40 -2.953 12.153 23.012 339 H303 EVT 101 H303 XXX 40 -3.690 10.909 25.745 340 H302 EVT 101 H302 XXX 40 -2.220 11.858 25.403 341 H313 EVT 101 H313 XXX 40 -1.499 10.125 23.711 342 H312 EVT 101 H312 XXX 40 -2.924 9.137 24.150 343 H321 EVT 101 H321 XXX 40 -0.911 8.331 25.371 344 H323 EVT 101 H323 XXX 40 -2.117 8.974 26.520 345 H322 EVT 101 H322 XXX 40 -0.680 9.947 26.095 346 H353 EVT 101 H353 XXX 40 -16.939 19.410 7.480 347 H352 EVT 101 H352 XXX 40 -18.566 18.756 7.197 348 H363 EVT 101 H363 XXX 40 -18.101 17.852 9.349 349 H362 EVT 101 H362 XXX 40 -19.059 19.298 9.705 350 H37 EVT 101 H37 XXX 40 -16.781 20.523 10.040 Start of MODEL 8 1 H1 HIS 1 H1 HIS 1 -11.051 3.637 0.641 2 H2 HIS 1 H2 HIS 1 -10.720 5.339 0.453 3 H3 HIS 1 H3 HIS 1 -11.221 4.695 1.996 4 HA HIS 1 HA HIS 1 -12.910 4.716 -0.511 5 HB2 HIS 1 HB2 HIS 1 -13.375 2.839 1.162 6 HB3 HIS 1 HB3 HIS 1 -13.674 4.079 2.407 7 HD1 HIS 1 HD1 HIS 1 -14.934 3.194 -1.075 8 HD2 HIS 1 HD2 HIS 1 -16.236 4.782 2.591 9 HE1 HIS 1 HE1 HIS 1 -17.425 3.552 -1.332 10 H AIB 2 H AIB 2 -14.890 6.281 -0.222 11 HB11 AIB 2 H31 AIB 2 -16.469 9.489 0.562 12 HB12 AIB 2 H32 AIB 2 -16.472 8.199 -0.673 13 HB13 AIB 2 H33 AIB 2 -16.789 7.795 1.030 14 HB21 AIB 2 H21 AIB 2 -14.164 10.103 -0.432 15 HB22 AIB 2 H22 AIB 2 -12.798 8.955 -0.295 16 HB23 AIB 2 H23 AIB 2 -14.099 8.660 -1.480 17 H GLN 3 H GLN 3 -15.413 7.194 2.911 18 HA GLN 3 HA GLN 3 -15.247 7.944 5.126 19 HB2 GLN 3 H42 GLN 3 -12.411 8.507 4.083 20 HB3 GLN 3 H43 GLN 3 -12.859 8.500 5.806 21 HG2 GLN 3 H32 GLN 3 -13.547 6.127 5.701 22 HG3 GLN 3 H33 GLN 3 -13.165 6.053 3.965 23 HE21 GLN 3 H61 GLN 3 -9.560 6.205 4.478 24 HE22 GLN 3 H62 GLN 3 -10.760 6.777 3.382 25 H GLY 4 H GLY 4 -16.574 9.851 3.455 26 HA2 GLY 4 HA2 GLY 4 -17.202 12.097 3.615 27 HA3 GLY 4 HA3 GLY 4 -16.438 12.034 5.225 28 H THR 5 H THR 5 -14.828 11.624 1.949 29 HA THR 5 HA THR 5 -12.872 13.647 2.683 30 HB THR 5 HB THR 5 -13.478 12.452 -0.075 31 HG1 THR 5 HG1 THR 5 -12.461 10.968 1.507 32 HG21 THR 5 HG21 THR 5 -11.162 14.254 0.878 33 HG22 THR 5 HG22 THR 5 -11.200 13.368 -0.671 34 HG23 THR 5 HG23 THR 5 -12.380 14.668 -0.366 35 H PHE 6 H PHE 6 -15.975 13.595 0.712 36 HA PHE 6 HA PHE 6 -15.515 16.241 -0.302 37 HB2 PHE 6 HB2 PHE 6 -17.121 14.776 -1.452 38 HB3 PHE 6 HB3 PHE 6 -18.173 14.735 -0.013 39 HD1 PHE 6 HD1 PHE 6 -19.463 16.733 0.650 40 HD2 PHE 6 HD2 PHE 6 -16.841 16.909 -2.758 41 HE1 PHE 6 HE1 PHE 6 -20.483 18.888 -0.021 42 HE2 PHE 6 HE2 PHE 6 -17.830 19.088 -3.402 43 HZ PHE 6 HZ PHE 6 -19.642 20.091 -2.027 44 H THR 7 H THR 7 -17.557 15.036 2.540 45 HA THR 7 HA THR 7 -18.325 17.696 3.178 46 HB THR 7 HB THR 7 -19.410 15.633 4.167 47 HG1 THR 7 HG1 THR 7 -18.629 17.701 5.981 48 HG21 THR 7 HG21 THR 7 -17.324 14.431 4.919 49 HG22 THR 7 HG22 THR 7 -17.014 15.729 6.110 50 HG23 THR 7 HG23 THR 7 -18.463 14.701 6.267 51 H SER 8 H SER 8 -15.315 15.772 3.952 52 HA SER 8 HA SER 8 -14.309 17.752 5.799 53 HB2 SER 8 HB2 SER 8 -13.329 15.479 5.645 54 HB3 SER 8 HB3 SER 8 -12.750 15.814 3.995 55 HG SER 8 HG SER 8 -11.447 17.546 5.009 56 H ASP 9 H ASP 9 -14.280 17.450 2.135 57 HA ASP 9 HA ASP 9 -12.504 19.658 1.811 58 HB2 ASP 9 HB2 ASP 9 -14.757 18.828 -0.121 59 HB3 ASP 9 HB3 ASP 9 -13.392 19.908 -0.480 60 H LEU 10 H LEU 10 -16.158 19.432 2.353 61 HA LEU 10 HA LEU 10 -16.563 22.209 2.023 62 HB2 LEU 10 HB2 LEU 10 -17.900 20.454 4.162 63 HB3 LEU 10 HB3 LEU 10 -18.358 22.120 3.809 64 HG LEU 10 HG LEU 10 -18.546 19.835 1.753 65 HD11 LEU 10 HD11 LEU 10 -20.682 21.043 3.599 66 HD12 LEU 10 HD12 LEU 10 -21.016 19.858 2.302 67 HD13 LEU 10 HD13 LEU 10 -20.045 19.381 3.716 68 HD21 LEU 10 HD21 LEU 10 -19.751 22.689 1.819 69 HD22 LEU 10 HD22 LEU 10 -18.487 22.129 0.687 70 HD23 LEU 10 HD23 LEU 10 -20.127 21.456 0.589 71 H SER 11 H SER 11 -15.654 20.356 5.108 72 HA SER 11 HA SER 11 -15.406 22.571 6.707 73 HB2 SER 11 HB2 SER 11 -13.367 20.244 6.680 74 HB3 SER 11 HB3 SER 11 -13.758 21.294 8.057 75 HG SER 11 HG SER 11 -15.929 20.352 7.926 76 H LYS 12 H LYS 12 -13.006 21.365 4.283 77 HA LYS 12 HA LYS 12 -10.950 23.268 5.156 78 HB2 LYS 12 HB2 LYS 12 -11.240 21.698 2.533 79 HB3 LYS 12 HB3 LYS 12 -9.836 22.699 2.967 80 HG2 LYS 12 HG2 LYS 12 -9.350 21.306 4.951 81 HG3 LYS 12 HG3 LYS 12 -10.786 20.298 4.655 82 HD2 LYS 12 HD2 LYS 12 -9.841 19.504 2.508 83 HD3 LYS 12 HD3 LYS 12 -8.425 20.574 2.692 84 HE2 LYS 12 HE2 LYS 12 -7.737 19.337 4.764 85 HE3 LYS 12 HE3 LYS 12 -9.165 18.287 4.620 86 HZ1 LYS 12 HZ1 LYS 12 -6.923 18.498 2.590 87 HZ2 LYS 12 HZ2 LYS 12 -7.186 17.175 3.694 88 HZ3 LYS 12 HZ3 LYS 12 -8.330 17.483 2.428 89 H GLN 13 H GLN 13 -13.459 23.183 2.549 90 HA GLN 13 HA GLN 13 -12.607 25.744 1.470 91 HB2 GLN 13 HB2 GLN 13 -15.169 24.087 1.108 92 HB3 GLN 13 HB3 GLN 13 -14.826 25.603 0.239 93 HG2 GLN 13 HG2 GLN 13 -12.754 24.643 -0.743 94 HG3 GLN 13 HG3 GLN 13 -13.005 23.117 0.108 95 HE21 GLN 13 HE21 GLN 13 -15.783 22.046 -1.978 96 HE22 GLN 13 HE22 GLN 13 -15.200 21.940 -0.358 97 H LYS 14 H LYS 14 -14.861 24.799 4.154 98 HA LYS 14 HA LYS 14 -16.077 27.410 4.276 99 HB2 LYS 14 HB2 LYS 14 -15.589 25.447 6.617 100 HB3 LYS 14 HB3 LYS 14 -16.524 26.964 6.647 101 HG2 LYS 14 HG2 LYS 14 -18.043 25.910 4.808 102 HG3 LYS 14 HG3 LYS 14 -17.215 24.370 5.149 103 HD2 LYS 14 HD2 LYS 14 -17.807 24.789 7.663 104 HD3 LYS 14 HD3 LYS 14 -18.801 26.139 7.069 105 HE2 LYS 14 HE2 LYS 14 -20.361 24.377 7.283 106 HE3 LYS 14 HE3 LYS 14 -19.984 24.301 5.539 107 HZ1 LYS 14 HZ1 LYS 14 -18.178 22.548 6.567 108 H ASP 15 H ASP 15 -13.225 25.694 5.844 109 HA ASP 15 HA ASP 15 -12.395 27.787 7.419 110 HB2 ASP 15 H32 ASP 15 -11.280 25.490 7.285 111 HB3 ASP 15 H33 ASP 15 -10.362 26.071 5.881 112 H GLU 16 H GLU 16 -11.786 27.282 3.859 113 HA GLU 16 HA GLU 16 -10.122 29.590 3.531 114 HB2 GLU 16 HB2 GLU 16 -12.025 28.338 1.473 115 HB3 GLU 16 HB3 GLU 16 -10.837 29.618 1.128 116 HG2 GLU 16 HG2 GLU 16 -8.970 28.098 1.855 117 HG3 GLU 16 HG3 GLU 16 -10.150 26.794 2.138 118 H GLN 17 H GLN 17 -13.775 29.237 3.141 119 HA GLN 17 HA GLN 17 -14.227 31.973 2.563 120 HB2 GLN 17 H42 GLN 17 -16.040 30.281 2.449 121 HB3 GLN 17 H43 GLN 17 -15.956 30.022 4.210 122 HG2 GLN 17 H32 GLN 17 -16.685 32.388 4.621 123 HG3 GLN 17 H33 GLN 17 -16.784 32.657 2.856 124 HE21 GLN 17 H61 GLN 17 -20.227 31.912 4.040 125 HE22 GLN 17 H62 GLN 17 -19.085 33.191 4.236 126 H ARG 18 H ARG 18 -13.746 30.282 5.712 127 HA ARG 18 HA ARG 18 -14.413 32.669 7.247 128 HB2 ARG 18 H42 ARG 18 -13.287 29.932 8.002 129 HB3 ARG 18 H43 ARG 18 -13.684 31.178 9.182 130 HG2 ARG 18 H33 ARG 18 -16.043 31.148 8.663 131 HG3 ARG 18 H32 ARG 18 -15.803 30.292 7.122 132 HD2 ARG 18 H52 ARG 18 -15.152 28.247 8.262 133 HD3 ARG 18 H53 ARG 18 -15.301 29.047 9.871 134 HE ARG 18 H10 ARG 18 -17.784 29.392 8.535 135 HH11 ARG 18 H71 ARG 18 -19.533 28.069 9.024 136 HH12 ARG 18 H72 ARG 18 -19.297 26.492 9.687 137 HH21 ARG 18 H81 ARG 18 -15.810 26.686 9.768 138 HH22 ARG 18 H82 ARG 18 -17.217 25.699 10.115 139 H ALA 19 H ALA 19 -11.486 31.485 5.756 140 HA ALA 19 HA ALA 19 -9.721 33.138 7.423 141 HB1 ALA 19 H21 ALA 19 -7.968 32.560 5.769 142 HB2 ALA 19 H22 ALA 19 -8.793 31.088 6.360 143 HB3 ALA 19 H23 ALA 19 -9.168 31.733 4.736 144 H LYS 20 H LYS 20 -11.231 33.150 4.051 145 HA LYS 20 HA LYS 20 -10.360 35.724 3.328 146 HB2 LYS 20 H42 LYS 20 -11.637 34.283 1.750 147 HB3 LYS 20 H43 LYS 20 -13.083 34.413 2.785 148 HG2 LYS 20 H23 LYS 20 -13.209 36.872 2.374 149 HG3 LYS 20 H22 LYS 20 -11.684 36.813 1.454 150 HD2 LYS 20 H33 LYS 20 -13.575 36.960 -0.099 151 HD3 LYS 20 H32 LYS 20 -12.796 35.367 -0.298 152 HE2 LYS 20 H53 LYS 20 -14.610 34.271 1.008 153 HE3 LYS 20 H52 LYS 20 -15.337 35.860 1.384 154 HZ1 LYS 20 H71 LYS 20 -16.507 34.737 -0.434 155 HZ2 LYS 20 H72 LYS 20 -15.768 36.233 -0.981 156 HZ3 LYS 20 H73 LYS 20 -15.029 34.689 -1.386 157 H LEU 21 H LEU 21 -13.114 34.620 5.514 158 HA LEU 21 HA LEU 21 -13.982 37.283 6.094 159 HB2 LEU 21 HB2 LEU 21 -13.921 34.899 8.026 160 HB3 LEU 21 HB3 LEU 21 -14.529 36.496 8.442 161 HG LEU 21 HG LEU 21 -15.735 34.683 6.285 162 HD11 LEU 21 HD11 LEU 21 -17.548 34.316 7.987 163 HD12 LEU 21 HD12 LEU 21 -15.988 33.799 8.668 164 HD13 LEU 21 HD13 LEU 21 -16.686 35.360 9.154 165 HD21 LEU 21 HD21 LEU 21 -17.706 36.296 6.469 166 HD22 LEU 21 HD22 LEU 21 -16.697 37.370 7.475 167 HD23 LEU 21 HD23 LEU 21 -16.268 37.059 5.767 168 H PHE 22 H PHE 22 -11.612 35.084 7.942 169 HA PHE 22 HA PHE 22 -10.981 36.750 9.849 170 HB2 PHE 22 HB2 PHE 22 -9.735 34.585 9.543 171 HB3 PHE 22 HB3 PHE 22 -8.776 35.289 8.257 172 HD1 PHE 22 HD1 PHE 22 -6.644 36.176 8.885 173 HD2 PHE 22 HD2 PHE 22 -9.793 36.183 11.825 174 HE1 PHE 22 HE1 PHE 22 -5.013 36.757 10.648 175 HE2 PHE 22 HE2 PHE 22 -8.167 36.795 13.568 176 HZ PHE 22 HZ PHE 22 -5.753 36.995 13.008 177 H ILE 23 H ILE 23 -9.121 37.047 6.705 178 HA ILE 23 HA ILE 23 -7.989 39.473 7.739 179 HB ILE 23 HB ILE 23 -6.833 38.009 6.022 180 HG12 ILE 23 HG12 ILE 23 -5.801 39.831 4.687 181 HG13 ILE 23 HG13 ILE 23 -7.091 40.964 5.154 182 HG21 ILE 23 HG21 ILE 23 -8.697 39.370 3.976 183 HG22 ILE 23 HG22 ILE 23 -7.384 38.221 3.625 184 HG23 ILE 23 HG23 ILE 23 -8.841 37.663 4.474 185 HD11 ILE 23 HD11 ILE 23 -5.201 39.594 7.178 186 HD12 ILE 23 HD12 ILE 23 -4.873 41.183 6.432 187 HD13 ILE 23 HD13 ILE 23 -6.280 40.990 7.494 188 H GLU 24 H GLU 24 -10.803 38.893 5.466 189 HA GLU 24 HA GLU 24 -10.978 41.724 4.863 190 HB2 GLU 24 HB2 GLU 24 -13.107 39.524 4.579 191 HB3 GLU 24 HB3 GLU 24 -13.358 41.231 4.145 192 HG2 GLU 24 HG2 GLU 24 -11.508 41.123 2.475 193 HG3 GLU 24 HG3 GLU 24 -11.163 39.439 2.945 194 H TRP 25 H TRP 25 -13.057 39.550 6.932 195 HA TRP 25 HA TRP 25 -14.395 41.274 8.508 196 HB2 TRP 25 HB2 TRP 25 -14.377 38.834 8.877 197 HB3 TRP 25 HB3 TRP 25 -12.679 38.861 9.435 198 HD1 TRP 25 HD1 TRP 25 -15.965 40.505 10.493 199 HE1 TRP 25 HE1 TRP 25 -16.088 40.429 13.055 200 HE3 TRP 25 HE3 TRP 25 -11.293 38.578 11.513 201 HZ2 TRP 25 HZ2 TRP 25 -14.627 39.485 15.157 202 HZ3 TRP 25 HZ3 TRP 25 -10.682 38.194 13.905 203 HH2 TRP 25 HH2 TRP 25 -12.338 38.600 15.707 204 H LEU 26 H LEU 26 -10.796 40.553 8.977 205 HA LEU 26 HA LEU 26 -10.669 42.279 11.296 206 HB2 LEU 26 HB2 LEU 26 -8.440 41.455 9.334 207 HB3 LEU 26 HB3 LEU 26 -8.189 42.560 10.698 208 HG LEU 26 HG LEU 26 -8.980 39.598 10.999 209 HD11 LEU 26 HD11 LEU 26 -6.653 39.925 10.194 210 HD12 LEU 26 HD12 LEU 26 -6.347 41.098 11.514 211 HD13 LEU 26 HD13 LEU 26 -6.665 39.388 11.895 212 HD21 LEU 26 HD21 LEU 26 -9.958 40.802 12.871 213 HD22 LEU 26 HD22 LEU 26 -8.498 39.953 13.407 214 HD23 LEU 26 HD23 LEU 26 -8.435 41.722 13.117 215 H AIB 27 H ALA 27 -9.866 42.726 7.740 216 HB11 AIB 27 H21 ALA 27 -8.525 46.532 7.614 217 HB12 AIB 27 H22 ALA 27 -8.922 45.911 9.229 218 HB13 AIB 27 H23 ALA 27 -7.870 44.953 8.157 219 HB21 AIB 27 H31 ALA 27 -8.833 44.052 5.881 220 HB22 AIB 27 H32 ALA 27 -10.594 44.125 5.608 221 HB23 AIB 27 H33 ALA 27 -9.627 45.611 5.531 222 H ALA 28 H ALA 28 -12.469 44.058 7.597 223 HA ALA 28 HA ALA 28 -13.793 46.540 7.188 224 HB1 ALA 28 H21 ALA 28 -14.772 44.060 8.767 225 HB2 ALA 28 H22 ALA 28 -15.807 45.367 8.126 226 HB3 ALA 28 H23 ALA 28 -14.936 44.286 7.003 227 H GLY 29 H GLY 29 -12.240 45.119 10.088 228 HA2 GLY 29 HA2 GLY 29 -11.977 47.143 11.734 229 HA3 GLY 29 HA3 GLY 29 -13.737 46.904 11.924 230 H GLY 30 H GLY 30 -13.602 43.887 11.458 231 HA2 GLY 30 HA2 GLY 30 -13.148 41.989 12.744 232 HA3 GLY 30 HA3 GLY 30 -12.092 42.948 13.783 233 HA PRO 31 HA PRO 31 -16.060 41.933 16.014 234 HB2 PRO 31 HB2 PRO 31 -14.517 43.321 18.273 235 HB3 PRO 31 HB3 PRO 31 -15.552 41.871 18.363 236 HG2 PRO 31 HG2 PRO 31 -12.835 41.570 18.230 237 HG3 PRO 31 HG3 PRO 31 -13.896 40.524 17.239 238 HD2 PRO 31 HD2 PRO 31 -12.301 42.981 16.292 239 HD3 PRO 31 HD3 PRO 31 -12.497 41.384 15.505 240 HA PRO 32 HA PRO 32 -16.917 46.636 17.235 241 HB2 PRO 32 HB2 PRO 32 -15.267 47.637 14.820 242 HB3 PRO 32 HB3 PRO 32 -15.731 48.566 16.284 243 HG2 PRO 32 HG2 PRO 32 -13.240 47.526 16.202 244 HG3 PRO 32 HG3 PRO 32 -14.223 47.157 17.661 245 HD2 PRO 32 HD3 PRO 32 -13.839 45.380 15.192 246 HD3 PRO 32 HD2 PRO 32 -13.585 44.959 16.932 247 H SER 33 H SER 33 -16.346 45.385 13.842 248 HA SER 33 HA SER 33 -18.552 46.755 12.681 249 HB2 SER 33 HB2 SER 33 -17.368 44.043 11.848 250 HB3 SER 33 HB3 SER 33 -18.251 45.198 10.794 251 HG SER 33 HG SER 33 -15.869 45.463 10.676 252 H AIB 34 H AIB 34 -18.706 44.149 15.041 253 HB11 AIB 34 H31 AIB 34 -21.767 44.931 15.672 254 HB12 AIB 34 H32 AIB 34 -22.257 44.619 13.986 255 HB13 AIB 34 H33 AIB 34 -22.758 43.497 15.269 256 HB21 AIB 34 H21 AIB 34 -19.432 41.949 16.018 257 HB22 AIB 34 H22 AIB 34 -20.263 43.248 16.908 258 HB23 AIB 34 H23 AIB 34 -21.188 41.851 16.290 259 H LYS 35 H LYS 35 -18.717 41.894 13.686 260 HA LYS 35 HA LYS 35 -20.601 40.243 12.029 261 HB2 LYS 35 H42 LYS 35 -17.917 41.561 11.328 262 HB3 LYS 35 H43 LYS 35 -18.612 40.230 10.358 263 HG2 LYS 35 H23 LYS 35 -20.662 41.631 9.930 264 HG3 LYS 35 H22 LYS 35 -19.968 42.946 10.918 265 HD2 LYS 35 H33 LYS 35 -18.020 43.125 9.312 266 HD3 LYS 35 H32 LYS 35 -18.725 41.813 8.326 267 HE2 LYS 35 H53 LYS 35 -20.777 43.210 7.926 268 HE3 LYS 35 H52 LYS 35 -20.083 44.524 8.913 269 HZ1 LYS 35 H71 LYS 35 -18.211 44.705 7.335 270 HZ2 LYS 35 H72 LYS 35 -18.889 43.405 6.364 271 HZ3 LYS 35 H73 LYS 35 -19.754 44.928 6.525 272 HA PRO 36 HA PRO 36 -18.729 37.295 14.536 273 HB2 PRO 36 HB2 PRO 36 -18.776 34.899 13.061 274 HB3 PRO 36 HB3 PRO 36 -20.265 35.763 13.566 275 HG2 PRO 36 HG2 PRO 36 -18.791 36.075 10.897 276 HG3 PRO 36 HG3 PRO 36 -20.504 35.597 11.107 277 HD2 PRO 36 HD2 PRO 36 -19.898 38.226 10.654 278 HD3 PRO 36 HD3 PRO 36 -21.075 37.849 11.972 279 HA PRO 37 HA PRO 37 -14.349 36.772 13.279 280 HB2 PRO 37 HB2 PRO 37 -13.410 35.215 15.335 281 HB3 PRO 37 HB3 PRO 37 -14.219 36.752 15.717 282 HG2 PRO 37 HG2 PRO 37 -15.558 34.012 15.639 283 HG3 PRO 37 HG3 PRO 37 -15.456 35.103 17.057 284 HD2 PRO 37 HD2 PRO 37 -17.640 35.179 15.364 285 HD3 PRO 37 HD3 PRO 37 -16.956 36.710 16.044 286 HA PRO 38 HA PRO 38 -14.118 33.245 10.664 287 HB2 PRO 38 HB2 PRO 38 -12.025 31.904 12.487 288 HB3 PRO 38 HB3 PRO 38 -11.996 31.993 10.699 289 HG2 PRO 38 HG2 PRO 38 -10.473 33.802 11.943 290 HG3 PRO 38 HG3 PRO 38 -11.711 34.447 10.803 291 HD2 PRO 38 HD2 PRO 38 -12.049 34.210 13.831 292 HD3 PRO 38 HD3 PRO 38 -12.273 35.699 12.818 293 H LYS 39 H LYS 39 -14.068 32.103 14.152 294 HA LYS 39 HA LYS 39 -15.193 29.571 13.678 295 HB2 LYS 39 H42 LYS 39 -15.574 31.492 16.062 296 HB3 LYS 39 H43 LYS 39 -16.365 29.900 15.998 297 HG2 LYS 39 H23 LYS 39 -14.222 28.732 15.814 298 HG3 LYS 39 H22 LYS 39 -13.319 30.277 15.781 299 HD2 LYS 39 H33 LYS 39 -14.052 30.809 18.083 300 HD3 LYS 39 H32 LYS 39 -15.120 29.383 18.117 301 HE2 LYS 39 H53 LYS 39 -13.131 27.851 17.915 302 HE3 LYS 39 H52 LYS 39 -12.046 29.263 17.853 303 HZ1 LYS 39 H71 LYS 39 -13.885 28.544 20.149 304 HZ2 LYS 39 H73 LYS 39 -12.759 29.894 20.107 305 HZ3 LYS 39 H72 LYS 39 -12.156 28.244 20.089 306 HN1 NH2 40 H11 LYS 39 -18.380 32.183 13.314 307 HN2 NH2 40 H12 LYS 39 -16.925 32.800 14.007 308 H93 EVT 101 H93 XXX 40 -20.899 15.760 8.064 309 H92 EVT 101 H92 XXX 40 -19.740 14.478 8.471 310 H103 EVT 101 H103 XXX 40 -21.188 16.305 10.509 311 H102 EVT 101 H102 XXX 40 -21.576 14.601 10.170 312 H11 EVT 101 H11 XXX 40 -18.978 15.703 11.391 313 H122 EVT 101 H122 XXX 40 -17.661 11.872 9.436 314 H123 EVT 101 H123 XXX 40 -16.087 12.259 10.170 315 H133 EVT 101 H133 XXX 40 -17.032 10.121 11.028 316 H132 EVT 101 H132 XXX 40 -18.477 10.971 11.639 317 H143 EVT 101 H143 XXX 40 -17.014 12.346 13.170 318 H142 EVT 101 H142 XXX 40 -15.580 11.473 12.571 319 H153 EVT 101 H153 XXX 40 -16.601 9.295 13.388 320 H152 EVT 101 H152 XXX 40 -17.994 10.208 14.022 321 H6 EVT 101 H6 XXX 40 -20.310 18.065 8.947 322 H163 EVT 101 H163 XXX 40 -16.431 11.475 15.561 323 H162 EVT 101 H162 XXX 40 -15.061 10.555 14.884 324 H173 EVT 101 H173 XXX 40 -16.139 8.400 15.684 325 H172 EVT 101 H172 XXX 40 -17.499 9.340 16.343 326 H183 EVT 101 H183 XXX 40 -15.974 8.661 18.133 327 H182 EVT 101 H182 XXX 40 -15.981 10.440 18.004 328 H193 EVT 101 H193 XXX 40 -13.800 10.434 16.873 329 H192 EVT 101 H192 XXX 40 -13.856 8.660 16.665 330 H203 EVT 101 H203 XXX 40 -13.702 8.399 19.172 331 H202 EVT 101 H202 XXX 40 -13.649 10.171 19.352 332 H213 EVT 101 H213 XXX 40 -11.536 10.210 17.922 333 H212 EVT 101 H212 XXX 40 -11.608 8.432 17.810 334 H223 EVT 101 H223 XXX 40 -11.414 8.305 20.327 335 H222 EVT 101 H222 XXX 40 -11.250 10.082 20.383 336 H25 EVT 101 H25 XXX 40 -19.681 12.884 10.583 337 H293 EVT 101 H293 XXX 40 -9.256 9.894 18.814 338 H292 EVT 101 H292 XXX 40 -9.348 8.119 18.939 339 H303 EVT 101 H303 XXX 40 -8.840 10.031 21.309 340 H302 EVT 101 H302 XXX 40 -7.602 9.058 20.466 341 H313 EVT 101 H313 XXX 40 -8.777 6.955 21.183 342 H312 EVT 101 H312 XXX 40 -9.936 7.937 22.119 343 H321 EVT 101 H321 XXX 40 -6.874 7.883 22.568 344 H323 EVT 101 H323 XXX 40 -8.100 7.112 23.605 345 H322 EVT 101 H322 XXX 40 -8.032 8.891 23.481 346 H353 EVT 101 H353 XXX 40 -18.834 20.165 6.437 347 H352 EVT 101 H352 XXX 40 -20.406 19.701 7.124 348 H363 EVT 101 H363 XXX 40 -19.639 20.442 9.410 349 H362 EVT 101 H362 XXX 40 -18.096 20.990 8.723 350 H37 EVT 101 H37 XXX 40 -17.633 18.602 7.974 Start of MODEL 9 1 H1 HIS 1 H1 HIS 1 -16.109 4.128 -4.344 2 H2 HIS 1 H2 HIS 1 -15.895 5.735 -4.940 3 H3 HIS 1 H3 HIS 1 -14.960 5.201 -3.572 4 HA HIS 1 HA HIS 1 -17.975 5.521 -3.611 5 HB2 HIS 1 HB2 HIS 1 -16.049 5.026 -1.240 6 HB3 HIS 1 HB3 HIS 1 -17.802 5.294 -1.117 7 HD1 HIS 1 HD1 HIS 1 -15.320 2.739 -2.276 8 HD2 HIS 1 HD2 HIS 1 -19.460 3.253 -1.745 9 HE1 HIS 1 HE1 HIS 1 -16.325 0.436 -2.519 10 H AIB 2 H AIB 2 -18.643 7.384 -2.018 11 HB11 AIB 2 H31 AIB 2 -18.552 10.770 -0.667 12 HB12 AIB 2 H32 AIB 2 -19.699 9.599 -1.379 13 HB13 AIB 2 H33 AIB 2 -18.675 9.121 0.002 14 HB21 AIB 2 H21 AIB 2 -17.700 11.138 -3.061 15 HB22 AIB 2 H22 AIB 2 -16.914 9.819 -3.965 16 HB23 AIB 2 H23 AIB 2 -18.684 9.817 -3.749 17 H GLN 3 H GLN 3 -16.456 7.823 -0.037 18 HA GLN 3 HA GLN 3 -14.546 8.102 1.268 19 HB2 GLN 3 H42 GLN 3 -13.436 9.177 -1.391 20 HB3 GLN 3 H43 GLN 3 -12.455 8.781 0.042 21 HG2 GLN 3 H32 GLN 3 -13.101 6.398 -0.074 22 HG3 GLN 3 H33 GLN 3 -14.271 6.740 -1.367 23 HE21 GLN 3 H61 GLN 3 -10.198 6.789 -2.253 24 HE22 GLN 3 H62 GLN 3 -10.682 7.081 -0.622 25 H GLY 4 H GLY 4 -16.467 9.920 1.873 26 HA2 GLY 4 HA2 GLY 4 -16.746 12.033 2.818 27 HA3 GLY 4 HA3 GLY 4 -15.026 11.833 3.257 28 H THR 5 H THR 5 -16.193 12.111 -0.183 29 HA THR 5 HA THR 5 -14.459 14.405 -0.561 30 HB THR 5 HB THR 5 -16.720 13.292 -2.330 31 HG1 THR 5 HG1 THR 5 -14.698 12.000 -2.176 32 HG21 THR 5 HG21 THR 5 -14.665 15.507 -2.921 33 HG22 THR 5 HG22 THR 5 -15.701 14.712 -4.144 34 HG23 THR 5 HG23 THR 5 -16.448 15.700 -2.860 35 H PHE 6 H PHE 6 -18.035 13.899 0.057 36 HA PHE 6 HA PHE 6 -18.720 16.623 -0.416 37 HB2 PHE 6 HB2 PHE 6 -20.549 15.039 -0.309 38 HB3 PHE 6 HB3 PHE 6 -20.062 14.439 1.281 39 HD1 PHE 6 HD1 PHE 6 -20.996 15.415 3.260 40 HD2 PHE 6 HD2 PHE 6 -21.127 17.643 -0.418 41 HE1 PHE 6 HE1 PHE 6 -22.563 17.016 4.286 42 HE2 PHE 6 HE2 PHE 6 -22.600 19.314 0.657 43 HZ PHE 6 HZ PHE 6 -23.373 18.972 2.992 44 H THR 7 H THR 7 -18.039 14.907 2.781 45 HA THR 7 HA THR 7 -18.298 17.357 4.199 46 HB THR 7 HB THR 7 -18.342 15.090 5.297 47 HG1 THR 7 HG1 THR 7 -16.628 17.080 6.421 48 HG21 THR 7 HG21 THR 7 -16.222 14.124 4.248 49 HG22 THR 7 HG22 THR 7 -15.250 15.310 5.167 50 HG23 THR 7 HG23 THR 7 -16.196 14.070 6.031 51 H SER 8 H SER 8 -15.448 15.845 2.483 52 HA SER 8 HA SER 8 -13.537 17.652 3.605 53 HB2 SER 8 HB2 SER 8 -12.858 15.647 2.272 54 HB3 SER 8 HB3 SER 8 -13.510 16.399 0.784 55 HG SER 8 HG SER 8 -11.890 18.119 1.183 56 H ASP 9 H ASP 9 -15.834 17.884 0.753 57 HA ASP 9 HA ASP 9 -14.779 20.363 -0.154 58 HB2 ASP 9 HB2 ASP 9 -17.712 19.416 -0.354 59 HB3 ASP 9 HB3 ASP 9 -16.950 20.711 -1.313 60 H LEU 10 H LEU 10 -17.394 19.532 2.318 61 HA LEU 10 HA LEU 10 -18.045 22.214 2.861 62 HB2 LEU 10 HB2 LEU 10 -17.831 19.937 4.895 63 HB3 LEU 10 HB3 LEU 10 -18.527 21.539 5.238 64 HG LEU 10 HG LEU 10 -19.664 19.472 3.241 65 HD11 LEU 10 HD11 LEU 10 -20.564 20.324 6.065 66 HD12 LEU 10 HD12 LEU 10 -21.452 19.206 5.001 67 HD13 LEU 10 HD13 LEU 10 -19.856 18.741 5.641 68 HD21 LEU 10 HD21 LEU 10 -20.793 22.173 4.210 69 HD22 LEU 10 HD22 LEU 10 -20.314 21.796 2.527 70 HD23 LEU 10 HD23 LEU 10 -21.697 20.966 3.258 71 H SER 11 H SER 11 -15.411 20.151 4.458 72 HA SER 11 HA SER 11 -14.457 22.210 6.083 73 HB2 SER 11 HB2 SER 11 -12.813 20.043 4.621 74 HB3 SER 11 HB3 SER 11 -12.209 21.042 5.964 75 HG SER 11 HG SER 11 -13.919 20.070 7.267 76 H LYS 12 H LYS 12 -13.804 21.671 2.544 77 HA LYS 12 HA LYS 12 -11.714 23.712 2.498 78 HB2 LYS 12 HB2 LYS 12 -13.486 22.647 0.206 79 HB3 LYS 12 HB3 LYS 12 -12.154 23.811 0.008 80 HG2 LYS 12 HG2 LYS 12 -10.516 22.165 0.873 81 HG3 LYS 12 HG3 LYS 12 -11.805 20.969 1.152 82 HD2 LYS 12 HD2 LYS 12 -12.321 20.906 -1.293 83 HD3 LYS 12 HD3 LYS 12 -11.099 22.171 -1.604 84 HE2 LYS 12 HE2 LYS 12 -9.284 20.652 -0.785 85 HE3 LYS 12 HE3 LYS 12 -10.487 19.385 -0.434 86 HZ1 LYS 12 HZ1 LYS 12 -9.897 20.546 -3.176 87 HZ2 LYS 12 HZ2 LYS 12 -9.378 18.994 -2.588 88 HZ3 LYS 12 HZ3 LYS 12 -11.076 19.299 -2.829 89 H GLN 13 H GLN 13 -15.257 23.615 1.797 90 HA GLN 13 HA GLN 13 -15.473 26.285 0.863 91 HB2 GLN 13 HB2 GLN 13 -17.493 24.478 2.289 92 HB3 GLN 13 HB3 GLN 13 -17.944 26.039 1.582 93 HG2 GLN 13 HG2 GLN 13 -17.484 25.310 -0.666 94 HG3 GLN 13 HG3 GLN 13 -16.609 23.874 -0.159 95 HE21 GLN 13 HE21 GLN 13 -20.762 23.860 0.033 96 HE22 GLN 13 HE22 GLN 13 -19.947 25.380 0.020 97 H LYS 14 H LYS 14 -15.706 24.880 4.244 98 HA LYS 14 HA LYS 14 -16.377 27.454 5.378 99 HB2 LYS 14 HB2 LYS 14 -15.087 25.107 6.899 100 HB3 LYS 14 HB3 LYS 14 -15.881 26.549 7.566 101 HG2 LYS 14 HG2 LYS 14 -18.046 25.716 6.351 102 HG3 LYS 14 HG3 LYS 14 -17.162 24.202 6.053 103 HD2 LYS 14 HD2 LYS 14 -16.662 24.275 8.688 104 HD3 LYS 14 HD3 LYS 14 -17.999 25.448 8.700 105 HE2 LYS 14 HE2 LYS 14 -19.024 23.350 9.179 106 HE3 LYS 14 HE3 LYS 14 -19.385 23.554 7.440 107 HZ1 LYS 14 HZ1 LYS 14 -16.979 22.155 7.486 108 H ASP 15 H ASP 15 -13.332 25.409 5.328 109 HA ASP 15 HA ASP 15 -11.816 27.041 6.898 110 HB2 ASP 15 H32 ASP 15 -11.009 24.842 6.028 111 HB3 ASP 15 H33 ASP 15 -10.786 25.543 4.409 112 H GLU 16 H GLU 16 -11.912 27.346 3.230 113 HA GLU 16 HA GLU 16 -10.145 29.633 3.372 114 HB2 GLU 16 HB2 GLU 16 -11.998 28.814 1.068 115 HB3 GLU 16 HB3 GLU 16 -10.744 30.081 1.009 116 HG2 GLU 16 HG2 GLU 16 -9.005 28.298 1.645 117 HG3 GLU 16 HG3 GLU 16 -10.266 27.063 1.398 118 H GLN 17 H GLN 17 -13.746 29.292 3.569 119 HA GLN 17 HA GLN 17 -14.139 32.125 3.147 120 HB2 GLN 17 H42 GLN 17 -15.915 30.448 2.824 121 HB3 GLN 17 H43 GLN 17 -15.960 30.121 4.575 122 HG2 GLN 17 H32 GLN 17 -16.782 32.407 5.036 123 HG3 GLN 17 H33 GLN 17 -16.385 32.946 3.395 124 HE21 GLN 17 H61 GLN 17 -19.693 30.447 3.756 125 HE22 GLN 17 H62 GLN 17 -18.355 30.155 4.807 126 H ARG 18 H ARG 18 -13.576 30.027 6.054 127 HA ARG 18 HA ARG 18 -14.047 32.054 8.025 128 HB2 ARG 18 H42 ARG 18 -12.274 29.548 8.010 129 HB3 ARG 18 H43 ARG 18 -12.496 30.554 9.448 130 HG2 ARG 18 H33 ARG 18 -14.860 30.100 9.587 131 HG3 ARG 18 H32 ARG 18 -14.909 29.304 7.997 132 HD2 ARG 18 H52 ARG 18 -13.504 27.476 8.763 133 HD3 ARG 18 H53 ARG 18 -13.286 28.258 10.373 134 HE ARG 18 H10 ARG 18 -16.075 27.938 9.947 135 HH11 ARG 18 H71 ARG 18 -17.159 26.236 10.950 136 HH12 ARG 18 H72 ARG 18 -16.319 24.809 11.439 137 HH21 ARG 18 H81 ARG 18 -13.168 25.906 10.388 138 HH22 ARG 18 H82 ARG 18 -14.080 24.609 11.138 139 H ALA 19 H ALA 19 -11.217 31.349 5.932 140 HA ALA 19 HA ALA 19 -9.475 33.130 7.513 141 HB1 ALA 19 H21 ALA 19 -7.739 32.529 5.818 142 HB2 ALA 19 H22 ALA 19 -8.483 31.084 6.560 143 HB3 ALA 19 H23 ALA 19 -8.947 31.582 4.907 144 H LYS 20 H LYS 20 -10.943 32.974 4.148 145 HA LYS 20 HA LYS 20 -10.075 35.528 3.315 146 HB2 LYS 20 H42 LYS 20 -11.281 33.910 1.824 147 HB3 LYS 20 H43 LYS 20 -12.767 34.136 2.781 148 HG2 LYS 20 H23 LYS 20 -12.857 36.558 2.061 149 HG3 LYS 20 H22 LYS 20 -11.306 36.353 1.221 150 HD2 LYS 20 H33 LYS 20 -12.996 36.254 -0.483 151 HD3 LYS 20 H32 LYS 20 -12.400 34.594 -0.276 152 HE2 LYS 20 H53 LYS 20 -14.473 34.116 1.164 153 HE3 LYS 20 H52 LYS 20 -15.003 35.787 0.872 154 HZ1 LYS 20 H71 LYS 20 -16.103 34.220 -0.646 155 HZ2 LYS 20 H72 LYS 20 -15.058 35.311 -1.547 156 HZ3 LYS 20 H73 LYS 20 -14.542 33.657 -1.233 157 H LEU 21 H LEU 21 -12.838 34.467 5.466 158 HA LEU 21 HA LEU 21 -13.762 37.131 5.966 159 HB2 LEU 21 HB2 LEU 21 -13.787 34.643 7.758 160 HB3 LEU 21 HB3 LEU 21 -14.274 36.243 8.348 161 HG LEU 21 HG LEU 21 -15.680 34.771 6.060 162 HD11 LEU 21 HD11 LEU 21 -17.439 34.350 7.769 163 HD12 LEU 21 HD12 LEU 21 -15.907 33.642 8.330 164 HD13 LEU 21 HD13 LEU 21 -16.474 35.183 9.017 165 HD21 LEU 21 HD21 LEU 21 -17.507 36.491 6.562 166 HD22 LEU 21 HD22 LEU 21 -16.336 37.360 7.587 167 HD23 LEU 21 HD23 LEU 21 -16.072 37.238 5.832 168 H PHE 22 H PHE 22 -11.491 35.039 8.065 169 HA PHE 22 HA PHE 22 -10.841 36.753 9.910 170 HB2 PHE 22 HB2 PHE 22 -9.502 34.690 9.715 171 HB3 PHE 22 HB3 PHE 22 -8.721 35.267 8.261 172 HD1 PHE 22 HD1 PHE 22 -6.682 36.504 8.364 173 HD2 PHE 22 HD2 PHE 22 -9.204 36.400 11.840 174 HE1 PHE 22 HE1 PHE 22 -4.830 37.386 9.732 175 HE2 PHE 22 HE2 PHE 22 -7.330 37.253 13.216 176 HZ PHE 22 HZ PHE 22 -5.113 37.662 12.181 177 H ILE 23 H ILE 23 -9.067 37.064 6.750 178 HA ILE 23 HA ILE 23 -7.970 39.548 7.719 179 HB ILE 23 HB ILE 23 -6.826 37.931 6.091 180 HG12 ILE 23 HG12 ILE 23 -5.714 39.698 4.696 181 HG13 ILE 23 HG13 ILE 23 -6.909 40.885 5.268 182 HG21 ILE 23 HG21 ILE 23 -8.769 37.614 4.513 183 HG22 ILE 23 HG22 ILE 23 -8.610 39.310 3.985 184 HG23 ILE 23 HG23 ILE 23 -7.304 38.144 3.665 185 HD11 ILE 23 HD11 ILE 23 -5.043 39.286 7.145 186 HD12 ILE 23 HD12 ILE 23 -4.630 40.888 6.469 187 HD13 ILE 23 HD13 ILE 23 -6.006 40.730 7.580 188 H GLU 24 H GLU 24 -10.765 38.834 5.475 189 HA GLU 24 HA GLU 24 -11.056 41.657 4.797 190 HB2 GLU 24 HB2 GLU 24 -13.084 39.355 4.626 191 HB3 GLU 24 HB3 GLU 24 -13.395 41.040 4.134 192 HG2 GLU 24 HG2 GLU 24 -11.626 40.911 2.399 193 HG3 GLU 24 HG3 GLU 24 -11.167 39.280 2.949 194 H TRP 25 H TRP 25 -12.931 39.394 6.968 195 HA TRP 25 HA TRP 25 -14.413 41.112 8.483 196 HB2 TRP 25 HB2 TRP 25 -14.334 38.694 8.883 197 HB3 TRP 25 HB3 TRP 25 -12.629 38.764 9.401 198 HD1 TRP 25 HD1 TRP 25 -15.993 40.243 10.546 199 HE1 TRP 25 HE1 TRP 25 -16.024 40.265 13.099 200 HE3 TRP 25 HE3 TRP 25 -11.179 38.639 11.469 201 HZ2 TRP 25 HZ2 TRP 25 -14.436 39.514 15.184 202 HZ3 TRP 25 HZ3 TRP 25 -10.480 38.359 13.850 203 HH2 TRP 25 HH2 TRP 25 -12.105 38.733 15.686 204 H LEU 26 H LEU 26 -10.795 40.553 8.954 205 HA LEU 26 HA LEU 26 -10.746 42.404 11.173 206 HB2 LEU 26 HB2 LEU 26 -8.467 41.616 9.258 207 HB3 LEU 26 HB3 LEU 26 -8.295 42.787 10.589 208 HG LEU 26 HG LEU 26 -8.877 39.791 10.964 209 HD11 LEU 26 HD11 LEU 26 -6.545 40.274 10.277 210 HD12 LEU 26 HD12 LEU 26 -6.411 41.535 11.537 211 HD13 LEU 26 HD13 LEU 26 -6.598 39.833 12.004 212 HD21 LEU 26 HD21 LEU 26 -10.046 40.963 12.784 213 HD22 LEU 26 HD22 LEU 26 -8.538 40.260 13.384 214 HD23 LEU 26 HD23 LEU 26 -8.620 42.017 13.039 215 H AIB 27 H ALA 27 -10.045 42.709 7.571 216 HB11 AIB 27 H21 ALA 27 -8.092 44.947 7.634 217 HB12 AIB 27 H22 ALA 27 -8.868 46.513 7.230 218 HB13 AIB 27 H23 ALA 27 -9.007 45.832 8.868 219 HB21 AIB 27 H31 ALA 27 -9.322 43.932 5.573 220 HB22 AIB 27 H32 ALA 27 -11.087 44.115 5.408 221 HB23 AIB 27 H33 ALA 27 -10.035 45.532 5.254 222 H ALA 28 H ALA 28 -12.728 43.988 7.628 223 HA ALA 28 HA ALA 28 -14.090 46.475 7.287 224 HB1 ALA 28 H21 ALA 28 -14.938 43.945 8.810 225 HB2 ALA 28 H22 ALA 28 -16.047 45.267 8.351 226 HB3 ALA 28 H23 ALA 28 -15.262 44.272 7.093 227 H GLY 29 H GLY 29 -12.351 45.130 10.112 228 HA2 GLY 29 HA2 GLY 29 -11.977 47.089 11.725 229 HA3 GLY 29 HA3 GLY 29 -13.732 47.013 11.943 230 H GLY 30 H GLY 30 -13.458 43.814 11.542 231 HA2 GLY 30 HA2 GLY 30 -13.174 42.051 13.031 232 HA3 GLY 30 HA3 GLY 30 -12.159 43.084 14.026 233 HA PRO 31 HA PRO 31 -16.225 42.025 16.028 234 HB2 PRO 31 HB2 PRO 31 -14.824 43.247 18.449 235 HB3 PRO 31 HB3 PRO 31 -15.843 41.788 18.375 236 HG2 PRO 31 HG2 PRO 31 -13.107 41.561 18.421 237 HG3 PRO 31 HG3 PRO 31 -14.088 40.515 17.346 238 HD2 PRO 31 HD2 PRO 31 -12.462 42.989 16.525 239 HD3 PRO 31 HD3 PRO 31 -12.680 41.429 15.672 240 HA PRO 32 HA PRO 32 -17.099 46.645 17.505 241 HB2 PRO 32 HB2 PRO 32 -15.320 47.764 15.261 242 HB3 PRO 32 HB3 PRO 32 -15.842 48.610 16.752 243 HG2 PRO 32 HG2 PRO 32 -13.362 47.543 16.776 244 HG3 PRO 32 HG3 PRO 32 -14.442 47.054 18.110 245 HD2 PRO 32 HD3 PRO 32 -13.934 45.483 15.513 246 HD3 PRO 32 HD2 PRO 32 -13.776 44.915 17.221 247 H SER 33 H SER 33 -16.432 45.484 14.117 248 HA SER 33 HA SER 33 -18.532 46.917 12.850 249 HB2 SER 33 HB2 SER 33 -17.528 44.108 12.184 250 HB3 SER 33 HB3 SER 33 -18.227 45.295 11.049 251 HG SER 33 HG SER 33 -15.822 45.303 11.049 252 H AIB 34 H AIB 34 -18.736 44.174 15.115 253 HB11 AIB 34 H31 AIB 34 -21.854 45.041 15.722 254 HB12 AIB 34 H32 AIB 34 -22.373 44.656 14.065 255 HB13 AIB 34 H33 AIB 34 -22.832 43.588 15.391 256 HB21 AIB 34 H21 AIB 34 -19.508 42.064 16.142 257 HB22 AIB 34 H22 AIB 34 -20.401 43.334 17.011 258 HB23 AIB 34 H23 AIB 34 -21.271 41.927 16.339 259 H LYS 35 H LYS 35 -18.761 41.966 13.848 260 HA LYS 35 HA LYS 35 -20.628 40.307 12.223 261 HB2 LYS 35 H42 LYS 35 -17.930 41.517 11.414 262 HB3 LYS 35 H43 LYS 35 -18.825 40.307 10.464 263 HG2 LYS 35 H23 LYS 35 -20.741 41.932 10.230 264 HG3 LYS 35 H22 LYS 35 -19.826 43.146 11.157 265 HD2 LYS 35 H33 LYS 35 -18.063 43.233 9.395 266 HD3 LYS 35 H32 LYS 35 -18.824 41.859 8.557 267 HE2 LYS 35 H53 LYS 35 -19.429 43.752 7.272 268 HE3 LYS 35 H52 LYS 35 -20.903 43.298 8.163 269 HZ1 LYS 35 H71 LYS 35 -20.389 45.111 9.782 270 HZ2 LYS 35 H72 LYS 35 -18.983 45.545 8.815 271 HZ3 LYS 35 H73 LYS 35 -20.594 45.696 8.142 272 HA PRO 36 HA PRO 36 -18.628 37.518 14.902 273 HB2 PRO 36 HB2 PRO 36 -18.824 35.019 13.627 274 HB3 PRO 36 HB3 PRO 36 -20.239 35.944 14.211 275 HG2 PRO 36 HG2 PRO 36 -19.041 36.015 11.401 276 HG3 PRO 36 HG3 PRO 36 -20.735 35.605 11.824 277 HD2 PRO 36 HD2 PRO 36 -20.147 38.169 11.083 278 HD3 PRO 36 HD3 PRO 36 -21.178 37.919 12.546 279 HA PRO 37 HA PRO 37 -14.357 36.913 13.572 280 HB2 PRO 37 HB2 PRO 37 -13.355 35.308 15.604 281 HB3 PRO 37 HB3 PRO 37 -14.122 36.878 15.967 282 HG2 PRO 37 HG2 PRO 37 -15.517 34.143 15.944 283 HG3 PRO 37 HG3 PRO 37 -15.349 35.227 17.365 284 HD2 PRO 37 HD2 PRO 37 -17.597 35.340 15.756 285 HD3 PRO 37 HD3 PRO 37 -16.844 36.868 16.373 286 HA PRO 38 HA PRO 38 -13.998 33.285 10.977 287 HB2 PRO 38 HB2 PRO 38 -11.728 32.298 12.829 288 HB3 PRO 38 HB3 PRO 38 -11.791 32.221 11.040 289 HG2 PRO 38 HG2 PRO 38 -10.409 34.245 12.069 290 HG3 PRO 38 HG3 PRO 38 -11.708 34.676 10.901 291 HD2 PRO 38 HD2 PRO 38 -11.889 34.697 13.957 292 HD3 PRO 38 HD3 PRO 38 -12.285 36.060 12.840 293 H LYS 39 H LYS 39 -13.764 32.586 14.559 294 HA LYS 39 HA LYS 39 -15.397 30.091 14.156 295 HB2 LYS 39 H42 LYS 39 -13.985 31.232 16.634 296 HB3 LYS 39 H43 LYS 39 -14.857 29.680 16.549 297 HG2 LYS 39 H23 LYS 39 -13.237 28.859 14.806 298 HG3 LYS 39 H22 LYS 39 -12.346 30.402 14.915 299 HD2 LYS 39 H33 LYS 39 -11.911 29.950 17.373 300 HD3 LYS 39 H32 LYS 39 -12.746 28.378 17.209 301 HE2 LYS 39 H53 LYS 39 -11.041 27.687 15.458 302 HE3 LYS 39 H52 LYS 39 -10.193 29.237 15.703 303 HZ1 LYS 39 H71 LYS 39 -9.146 27.443 16.985 304 HZ2 LYS 39 H73 LYS 39 -10.670 27.075 17.780 305 HZ3 LYS 39 H72 LYS 39 -9.866 28.608 18.088 306 HN1 NH2 40 H11 LYS 39 -17.933 32.784 14.659 307 HN2 NH2 40 H12 LYS 39 -16.858 32.360 13.386 308 H93 EVT 101 H93 XXX 40 -17.836 14.751 8.953 309 H92 EVT 101 H92 XXX 40 -16.347 13.830 8.647 310 H103 EVT 101 H103 XXX 40 -17.284 15.010 11.334 311 H102 EVT 101 H102 XXX 40 -16.970 13.307 10.918 312 H11 EVT 101 H11 XXX 40 -14.942 15.582 11.290 313 H122 EVT 101 H122 XXX 40 -12.867 13.029 8.192 314 H123 EVT 101 H123 XXX 40 -11.612 14.287 8.317 315 H133 EVT 101 H133 XXX 40 -10.744 12.075 9.118 316 H132 EVT 101 H132 XXX 40 -12.049 11.985 10.330 317 H143 EVT 101 H143 XXX 40 -11.154 14.102 11.417 318 H142 EVT 101 H142 XXX 40 -9.830 14.133 10.216 319 H153 EVT 101 H153 XXX 40 -9.061 11.869 11.063 320 H152 EVT 101 H152 XXX 40 -10.384 11.887 12.265 321 H6 EVT 101 H6 XXX 40 -17.308 17.149 9.969 322 H163 EVT 101 H163 XXX 40 -9.420 14.020 13.255 323 H162 EVT 101 H162 XXX 40 -8.057 13.905 12.104 324 H173 EVT 101 H173 XXX 40 -7.460 11.643 13.086 325 H172 EVT 101 H172 XXX 40 -8.803 11.812 14.254 326 H183 EVT 101 H183 XXX 40 -7.712 13.923 15.155 327 H182 EVT 101 H182 XXX 40 -6.346 13.662 14.034 328 H193 EVT 101 H193 XXX 40 -5.918 11.412 15.138 329 H192 EVT 101 H192 XXX 40 -7.257 11.738 16.273 330 H203 EVT 101 H203 XXX 40 -6.019 13.804 17.087 331 H202 EVT 101 H202 XXX 40 -4.672 13.400 15.986 332 H213 EVT 101 H213 XXX 40 -4.400 11.178 17.180 333 H212 EVT 101 H212 XXX 40 -5.702 11.650 18.307 334 H223 EVT 101 H223 XXX 40 -4.329 13.656 19.006 335 H222 EVT 101 H222 XXX 40 -3.008 13.118 17.927 336 H25 EVT 101 H25 XXX 40 -14.415 12.819 10.202 337 H293 EVT 101 H293 XXX 40 -2.956 10.903 19.223 338 H292 EVT 101 H292 XXX 40 -4.108 11.610 20.386 339 H303 EVT 101 H303 XXX 40 -1.261 12.636 19.755 340 H302 EVT 101 H302 XXX 40 -1.756 11.716 21.197 341 H313 EVT 101 H313 XXX 40 -3.320 13.626 21.842 342 H312 EVT 101 H312 XXX 40 -2.675 14.574 20.470 343 H321 EVT 101 H321 XXX 40 -1.008 13.512 22.839 344 H323 EVT 101 H323 XXX 40 -1.515 15.205 22.570 345 H322 EVT 101 H322 XXX 40 -0.363 14.427 21.441 346 H353 EVT 101 H353 XXX 40 -17.150 19.682 7.133 347 H352 EVT 101 H352 XXX 40 -18.329 18.805 8.143 348 H363 EVT 101 H363 XXX 40 -17.122 19.641 10.219 349 H362 EVT 101 H362 XXX 40 -15.961 20.502 9.175 350 H37 EVT 101 H37 XXX 40 -15.304 18.319 8.130 Start of MODEL 10 1 H1 HIS 1 H1 HIS 1 -9.209 5.453 -3.364 2 H2 HIS 1 H2 HIS 1 -8.339 5.165 -1.887 3 H3 HIS 1 H3 HIS 1 -9.103 3.847 -2.723 4 HA HIS 1 HA HIS 1 -11.310 4.806 -2.295 5 HB2 HIS 1 HB2 HIS 1 -9.582 4.534 0.234 6 HB3 HIS 1 HB3 HIS 1 -11.352 4.705 0.258 7 HD1 HIS 1 HD1 HIS 1 -8.669 2.291 -0.726 8 HD2 HIS 1 HD2 HIS 1 -12.856 2.589 -0.536 9 HE1 HIS 1 HE1 HIS 1 -9.537 -0.062 -1.053 10 H AIB 2 H AIB 2 -12.659 6.565 -1.428 11 HB11 AIB 2 H31 AIB 2 -13.671 9.995 -0.728 12 HB12 AIB 2 H32 AIB 2 -14.138 8.628 -1.774 13 HB13 AIB 2 H33 AIB 2 -13.926 8.383 -0.025 14 HB21 AIB 2 H21 AIB 2 -12.150 8.822 -3.316 15 HB22 AIB 2 H22 AIB 2 -11.777 10.336 -2.463 16 HB23 AIB 2 H23 AIB 2 -10.518 9.108 -2.674 17 H GLN 3 H GLN 3 -12.024 7.666 1.294 18 HA GLN 3 HA GLN 3 -11.185 8.459 3.318 19 HB2 GLN 3 H42 GLN 3 -8.728 8.836 1.526 20 HB3 GLN 3 H43 GLN 3 -8.719 8.925 3.307 21 HG2 GLN 3 H32 GLN 3 -9.596 6.563 3.437 22 HG3 GLN 3 H33 GLN 3 -9.544 6.469 1.662 23 HE21 GLN 3 H61 GLN 3 -6.013 6.479 3.899 24 HE22 GLN 3 H62 GLN 3 -7.431 7.176 4.583 25 H GLY 4 H GLY 4 -12.936 10.266 2.399 26 HA2 GLY 4 HA2 GLY 4 -13.380 12.386 3.328 27 HA3 GLY 4 HA3 GLY 4 -11.668 12.755 3.432 28 H THR 5 H THR 5 -14.469 13.382 1.518 29 HA THR 5 HA THR 5 -12.710 14.804 -0.383 30 HB THR 5 HB THR 5 -14.809 12.843 -1.408 31 HG1 THR 5 HG1 THR 5 -11.957 12.650 -1.415 32 HG21 THR 5 HG21 THR 5 -12.715 14.553 -2.906 33 HG22 THR 5 HG22 THR 5 -13.879 13.427 -3.647 34 HG23 THR 5 HG23 THR 5 -14.461 14.918 -2.855 35 H PHE 6 H PHE 6 -16.311 14.029 0.043 36 HA PHE 6 HA PHE 6 -17.013 16.802 -0.437 37 HB2 PHE 6 HB2 PHE 6 -18.862 15.288 -0.663 38 HB3 PHE 6 HB3 PHE 6 -18.505 14.466 0.866 39 HD1 PHE 6 HD1 PHE 6 -19.656 17.758 -0.549 40 HD2 PHE 6 HD2 PHE 6 -19.373 15.289 2.964 41 HE1 PHE 6 HE1 PHE 6 -21.188 19.287 0.658 42 HE2 PHE 6 HE2 PHE 6 -20.946 16.777 4.138 43 HZ PHE 6 HZ PHE 6 -21.840 18.797 3.000 44 H THR 7 H THR 7 -16.688 14.828 2.652 45 HA THR 7 HA THR 7 -17.042 17.134 4.264 46 HB THR 7 HB THR 7 -17.197 14.778 5.137 47 HG1 THR 7 HG1 THR 7 -15.534 16.598 6.591 48 HG21 THR 7 HG21 THR 7 -15.002 13.925 4.138 49 HG22 THR 7 HG22 THR 7 -14.107 14.930 5.315 50 HG23 THR 7 HG23 THR 7 -15.158 13.605 5.882 51 H SER 8 H SER 8 -14.073 15.740 2.647 52 HA SER 8 HA SER 8 -12.238 17.403 4.079 53 HB2 SER 8 HB2 SER 8 -11.446 15.568 2.551 54 HB3 SER 8 HB3 SER 8 -12.067 16.495 1.147 55 HG SER 8 HG SER 8 -9.788 16.981 1.563 56 H ASP 9 H ASP 9 -14.238 17.915 1.024 57 HA ASP 9 HA ASP 9 -13.129 20.534 0.650 58 HB2 ASP 9 HB2 ASP 9 -15.822 19.397 -0.343 59 HB3 ASP 9 HB3 ASP 9 -15.108 20.940 -0.882 60 H LEU 10 H LEU 10 -15.857 19.338 2.788 61 HA LEU 10 HA LEU 10 -16.648 22.042 3.412 62 HB2 LEU 10 HB2 LEU 10 -16.542 19.632 5.321 63 HB3 LEU 10 HB3 LEU 10 -17.251 21.213 5.711 64 HG LEU 10 HG LEU 10 -18.291 19.319 3.515 65 HD11 LEU 10 HD11 LEU 10 -18.574 18.353 5.819 66 HD12 LEU 10 HD12 LEU 10 -19.306 19.878 6.385 67 HD13 LEU 10 HD13 LEU 10 -20.142 18.884 5.163 68 HD21 LEU 10 HD21 LEU 10 -19.489 21.897 4.712 69 HD22 LEU 10 HD22 LEU 10 -18.907 21.701 3.034 70 HD23 LEU 10 HD23 LEU 10 -20.329 20.795 3.589 71 H SER 11 H SER 11 -14.120 19.785 4.874 72 HA SER 11 HA SER 11 -13.259 21.614 6.788 73 HB2 SER 11 HB2 SER 11 -11.443 19.648 5.255 74 HB3 SER 11 HB3 SER 11 -11.030 20.528 6.740 75 HG SER 11 HG SER 11 -13.128 18.584 6.581 76 H LYS 12 H LYS 12 -12.420 21.490 3.259 77 HA LYS 12 HA LYS 12 -10.371 23.583 3.696 78 HB2 LYS 12 HB2 LYS 12 -11.365 22.515 1.006 79 HB3 LYS 12 HB3 LYS 12 -9.880 23.429 1.354 80 HG2 LYS 12 HG2 LYS 12 -10.489 20.481 1.931 81 HG3 LYS 12 HG3 LYS 12 -9.107 21.195 1.093 82 HD2 LYS 12 HD2 LYS 12 -8.341 22.153 3.350 83 HD3 LYS 12 HD3 LYS 12 -9.684 21.244 4.107 84 HE2 LYS 12 HE2 LYS 12 -8.730 19.097 3.192 85 HE3 LYS 12 HE3 LYS 12 -7.326 20.015 2.578 86 HZ1 LYS 12 HZ1 LYS 12 -6.867 20.748 4.930 87 HZ2 LYS 12 HZ2 LYS 12 -8.217 19.807 5.480 88 HZ3 LYS 12 HZ3 LYS 12 -6.847 19.008 4.777 89 H GLN 13 H GLN 13 -13.704 23.364 2.281 90 HA GLN 13 HA GLN 13 -13.633 26.097 1.350 91 HB2 GLN 13 HB2 GLN 13 -16.003 24.229 1.940 92 HB3 GLN 13 HB3 GLN 13 -16.169 25.866 1.275 93 HG2 GLN 13 HG2 GLN 13 -14.767 25.308 -0.695 94 HG3 GLN 13 HG3 GLN 13 -14.532 23.655 -0.116 95 HE21 GLN 13 HE21 GLN 13 -17.952 22.621 -0.825 96 HE22 GLN 13 HE22 GLN 13 -16.749 22.401 0.388 97 H LYS 14 H LYS 14 -14.828 24.516 4.433 98 HA LYS 14 HA LYS 14 -15.753 26.863 5.662 99 HB2 LYS 14 HB2 LYS 14 -14.122 24.651 7.076 100 HB3 LYS 14 HB3 LYS 14 -14.967 26.012 7.849 101 HG2 LYS 14 HG2 LYS 14 -17.162 25.048 6.772 102 HG3 LYS 14 HG3 LYS 14 -16.212 23.582 6.465 103 HD2 LYS 14 HD2 LYS 14 -15.516 23.822 9.055 104 HD3 LYS 14 HD3 LYS 14 -16.943 24.874 9.114 105 HE2 LYS 14 HE2 LYS 14 -17.723 22.696 9.753 106 HE3 LYS 14 HE3 LYS 14 -18.252 22.835 8.055 107 HZ1 LYS 14 HZ1 LYS 14 -15.683 21.607 8.086 108 H ASP 15 H ASP 15 -12.389 25.407 5.569 109 HA ASP 15 HA ASP 15 -11.173 27.396 7.080 110 HB2 ASP 15 H32 ASP 15 -10.085 25.254 6.277 111 HB3 ASP 15 H33 ASP 15 -9.790 26.031 4.707 112 H GLU 16 H GLU 16 -11.603 27.311 3.442 113 HA GLU 16 HA GLU 16 -10.254 29.768 2.971 114 HB2 GLU 16 HB2 GLU 16 -12.515 28.408 1.400 115 HB3 GLU 16 HB3 GLU 16 -11.757 29.925 0.866 116 HG2 GLU 16 HG2 GLU 16 -10.152 27.346 1.346 117 HG3 GLU 16 HG3 GLU 16 -10.766 27.874 -0.241 118 H GLN 17 H GLN 17 -13.797 29.136 3.667 119 HA GLN 17 HA GLN 17 -14.521 31.900 3.351 120 HB2 GLN 17 H42 GLN 17 -16.187 30.082 3.359 121 HB3 GLN 17 H43 GLN 17 -15.818 29.691 5.059 122 HG2 GLN 17 H32 GLN 17 -16.634 31.987 5.753 123 HG3 GLN 17 H33 GLN 17 -16.953 32.374 4.040 124 HE21 GLN 17 H61 GLN 17 -19.361 29.571 5.996 125 HE22 GLN 17 H62 GLN 17 -17.775 29.853 6.592 126 H ARG 18 H ARG 18 -13.675 29.943 6.283 127 HA ARG 18 HA ARG 18 -13.825 32.011 8.200 128 HB2 ARG 18 H42 ARG 18 -11.984 29.567 7.952 129 HB3 ARG 18 H43 ARG 18 -11.959 30.586 9.394 130 HG2 ARG 18 H33 ARG 18 -14.230 30.065 9.997 131 HG3 ARG 18 H32 ARG 18 -14.606 29.371 8.406 132 HD2 ARG 18 H52 ARG 18 -13.088 27.476 8.797 133 HD3 ARG 18 H53 ARG 18 -12.642 28.143 10.406 134 HE ARG 18 H10 ARG 18 -15.488 27.902 10.290 135 HH11 ARG 18 H71 ARG 18 -16.503 26.192 11.338 136 HH12 ARG 18 H72 ARG 18 -15.654 24.727 11.675 137 HH21 ARG 18 H81 ARG 18 -12.608 25.797 10.323 138 HH22 ARG 18 H82 ARG 18 -13.463 24.491 11.127 139 H ALA 19 H ALA 19 -11.282 31.401 5.722 140 HA ALA 19 HA ALA 19 -9.380 33.159 7.104 141 HB1 ALA 19 H21 ALA 19 -9.143 31.724 4.403 142 HB2 ALA 19 H22 ALA 19 -7.838 32.574 5.278 143 HB3 ALA 19 H23 ALA 19 -8.572 31.104 5.974 144 H LYS 20 H LYS 20 -11.209 33.141 3.885 145 HA LYS 20 HA LYS 20 -10.399 35.699 3.054 146 HB2 LYS 20 H42 LYS 20 -11.783 34.105 1.648 147 HB3 LYS 20 H43 LYS 20 -13.144 34.295 2.778 148 HG2 LYS 20 H23 LYS 20 -13.194 36.785 2.207 149 HG3 LYS 20 H22 LYS 20 -11.918 36.493 0.995 150 HD2 LYS 20 H33 LYS 20 -13.432 34.884 -0.209 151 HD3 LYS 20 H32 LYS 20 -14.688 35.112 1.036 152 HE2 LYS 20 H53 LYS 20 -14.786 37.563 0.478 153 HE3 LYS 20 H52 LYS 20 -13.586 37.290 -0.814 154 HZ1 LYS 20 H71 LYS 20 -15.890 37.321 -1.684 155 HZ2 LYS 20 H72 LYS 20 -15.154 35.741 -1.914 156 HZ3 LYS 20 H73 LYS 20 -16.324 35.989 -0.623 157 H LEU 21 H LEU 21 -13.097 34.600 5.272 158 HA LEU 21 HA LEU 21 -13.977 37.246 5.866 159 HB2 LEU 21 HB2 LEU 21 -13.948 34.747 7.670 160 HB3 LEU 21 HB3 LEU 21 -14.603 36.318 8.170 161 HG LEU 21 HG LEU 21 -15.697 34.616 5.854 162 HD11 LEU 21 HD11 LEU 21 -17.567 34.170 7.472 163 HD12 LEU 21 HD12 LEU 21 -16.006 33.588 8.100 164 HD13 LEU 21 HD13 LEU 21 -16.700 35.109 8.728 165 HD21 LEU 21 HD21 LEU 21 -17.685 36.209 6.042 166 HD22 LEU 21 HD22 LEU 21 -16.701 37.239 7.114 167 HD23 LEU 21 HD23 LEU 21 -16.227 36.984 5.414 168 H PHE 22 H PHE 22 -11.686 35.075 7.825 169 HA PHE 22 HA PHE 22 -11.180 36.758 9.778 170 HB2 PHE 22 HB2 PHE 22 -9.952 34.620 9.625 171 HB3 PHE 22 HB3 PHE 22 -8.995 35.224 8.268 172 HD1 PHE 22 HD1 PHE 22 -6.997 36.549 8.667 173 HD2 PHE 22 HD2 PHE 22 -9.804 36.016 11.881 174 HE1 PHE 22 HE1 PHE 22 -5.246 37.161 10.301 175 HE2 PHE 22 HE2 PHE 22 -8.076 36.724 13.503 176 HZ PHE 22 HZ PHE 22 -5.748 37.136 12.732 177 H ILE 23 H ILE 23 -9.258 37.033 6.679 178 HA ILE 23 HA ILE 23 -7.998 39.396 7.779 179 HB ILE 23 HB ILE 23 -6.968 37.715 6.094 180 HG12 ILE 23 HG12 ILE 23 -5.631 39.482 4.850 181 HG13 ILE 23 HG13 ILE 23 -6.664 40.723 5.593 182 HG21 ILE 23 HG21 ILE 23 -8.899 37.792 4.437 183 HG22 ILE 23 HG22 ILE 23 -8.447 39.473 4.041 184 HG23 ILE 23 HG23 ILE 23 -7.323 38.133 3.688 185 HD11 ILE 23 HD11 ILE 23 -4.922 38.677 7.143 186 HD12 ILE 23 HD12 ILE 23 -4.441 40.353 6.766 187 HD13 ILE 23 HD13 ILE 23 -5.795 40.051 7.873 188 H GLU 24 H GLU 24 -10.807 38.949 5.494 189 HA GLU 24 HA GLU 24 -10.858 41.812 4.906 190 HB2 GLU 24 HB2 GLU 24 -13.036 39.674 4.524 191 HB3 GLU 24 HB3 GLU 24 -13.188 41.389 4.065 192 HG2 GLU 24 HG2 GLU 24 -11.264 41.161 2.491 193 HG3 GLU 24 HG3 GLU 24 -11.011 39.485 3.025 194 H TRP 25 H TRP 25 -12.961 39.584 6.871 195 HA TRP 25 HA TRP 25 -14.394 41.256 8.462 196 HB2 TRP 25 HB2 TRP 25 -14.322 38.791 8.743 197 HB3 TRP 25 HB3 TRP 25 -12.649 38.861 9.344 198 HD1 TRP 25 HD1 TRP 25 -16.017 40.343 10.366 199 HE1 TRP 25 HE1 TRP 25 -16.254 40.098 12.917 200 HE3 TRP 25 HE3 TRP 25 -11.333 38.552 11.446 201 HZ2 TRP 25 HZ2 TRP 25 -14.801 39.103 15.019 202 HZ3 TRP 25 HZ3 TRP 25 -10.758 38.110 13.839 203 HH2 TRP 25 HH2 TRP 25 -12.505 38.297 15.598 204 H LEU 26 H LEU 26 -10.801 40.547 8.956 205 HA LEU 26 HA LEU 26 -10.721 42.242 11.281 206 HB2 LEU 26 HB2 LEU 26 -8.451 41.438 9.369 207 HB3 LEU 26 HB3 LEU 26 -8.237 42.542 10.748 208 HG LEU 26 HG LEU 26 -8.964 39.561 11.001 209 HD11 LEU 26 HD11 LEU 26 -6.405 41.179 11.554 210 HD12 LEU 26 HD12 LEU 26 -6.658 39.497 12.057 211 HD13 LEU 26 HD13 LEU 26 -6.646 39.908 10.321 212 HD21 LEU 26 HD21 LEU 26 -8.618 39.901 13.433 213 HD22 LEU 26 HD22 LEU 26 -8.580 41.672 13.173 214 HD23 LEU 26 HD23 LEU 26 -10.070 40.725 12.848 215 H AIB 27 H ALA 27 -9.893 42.735 7.734 216 HB11 AIB 27 H21 ALA 27 -7.862 44.948 8.134 217 HB12 AIB 27 H22 ALA 27 -8.539 46.534 7.649 218 HB13 AIB 27 H23 ALA 27 -8.886 45.869 9.258 219 HB21 AIB 27 H31 ALA 27 -8.887 44.068 5.878 220 HB22 AIB 27 H32 ALA 27 -10.649 44.186 5.630 221 HB23 AIB 27 H33 ALA 27 -9.648 45.654 5.581 222 H ALA 28 H ALA 28 -12.524 44.114 7.752 223 HA ALA 28 HA ALA 28 -13.780 46.641 7.421 224 HB1 ALA 28 H21 ALA 28 -14.773 44.201 9.046 225 HB2 ALA 28 H22 ALA 28 -15.786 45.565 8.500 226 HB3 ALA 28 H23 ALA 28 -15.043 44.470 7.305 227 H GLY 29 H GLY 29 -12.151 45.132 10.229 228 HA2 GLY 29 HA2 GLY 29 -11.692 46.929 11.974 229 HA3 GLY 29 HA3 GLY 29 -13.465 46.972 12.161 230 H GLY 30 H GLY 30 -13.611 43.896 11.421 231 HA2 GLY 30 HA2 GLY 30 -13.344 41.874 12.562 232 HA3 GLY 30 HA3 GLY 30 -12.244 42.665 13.682 233 HA PRO 31 HA PRO 31 -16.279 41.879 15.880 234 HB2 PRO 31 HB2 PRO 31 -14.582 43.194 18.067 235 HB3 PRO 31 HB3 PRO 31 -15.768 41.862 18.237 236 HG2 PRO 31 HG2 PRO 31 -13.109 41.244 18.065 237 HG3 PRO 31 HG3 PRO 31 -14.280 40.332 17.069 238 HD2 PRO 31 HD2 PRO 31 -12.477 42.650 16.160 239 HD3 PRO 31 HD3 PRO 31 -12.793 41.086 15.352 240 HA PRO 32 HA PRO 32 -17.225 46.459 17.003 241 HB2 PRO 32 HB2 PRO 32 -15.704 48.486 15.817 242 HB3 PRO 32 HB3 PRO 32 -15.303 47.760 17.400 243 HG2 PRO 32 HG2 PRO 32 -14.178 46.915 14.692 244 HG3 PRO 32 HG3 PRO 32 -13.243 47.404 16.141 245 HD2 PRO 32 HD3 PRO 32 -13.645 44.796 15.641 246 HD3 PRO 32 HD2 PRO 32 -13.914 45.359 17.327 247 H SER 33 H SER 33 -16.139 45.232 13.782 248 HA SER 33 HA SER 33 -17.970 46.870 12.278 249 HB2 SER 33 HB2 SER 33 -17.021 44.018 11.642 250 HB3 SER 33 HB3 SER 33 -17.622 45.231 10.486 251 HG SER 33 HG SER 33 -15.700 46.497 11.093 252 H AIB 34 H AIB 34 -18.737 44.495 14.715 253 HB11 AIB 34 H31 AIB 34 -21.762 45.602 14.817 254 HB12 AIB 34 H32 AIB 34 -22.034 45.182 13.111 255 HB13 AIB 34 H33 AIB 34 -22.814 44.231 14.393 256 HB21 AIB 34 H21 AIB 34 -19.769 42.479 15.698 257 HB22 AIB 34 H22 AIB 34 -20.604 43.897 16.377 258 HB23 AIB 34 H23 AIB 34 -21.549 42.517 15.746 259 H LYS 35 H LYS 35 -18.802 42.139 13.449 260 HA LYS 35 HA LYS 35 -20.654 40.570 11.692 261 HB2 LYS 35 H42 LYS 35 -17.817 41.628 11.197 262 HB3 LYS 35 H43 LYS 35 -18.500 40.259 10.275 263 HG2 LYS 35 H23 LYS 35 -20.362 41.704 9.464 264 HG3 LYS 35 H22 LYS 35 -19.724 43.067 10.432 265 HD2 LYS 35 H33 LYS 35 -17.676 43.175 9.063 266 HD3 LYS 35 H32 LYS 35 -18.094 41.666 8.227 267 HE2 LYS 35 H53 LYS 35 -18.535 43.603 6.776 268 HE3 LYS 35 H52 LYS 35 -20.040 42.716 7.123 269 HZ1 LYS 35 H71 LYS 35 -19.170 45.229 8.551 270 HZ2 LYS 35 H72 LYS 35 -20.281 45.176 7.193 271 HZ3 LYS 35 H73 LYS 35 -20.715 44.404 8.707 272 HA PRO 36 HA PRO 36 -19.430 37.659 14.573 273 HB2 PRO 36 HB2 PRO 36 -19.645 35.176 13.308 274 HB3 PRO 36 HB3 PRO 36 -21.049 36.275 13.505 275 HG2 PRO 36 HG2 PRO 36 -19.171 36.162 11.099 276 HG3 PRO 36 HG3 PRO 36 -20.938 35.885 11.065 277 HD2 PRO 36 HD2 PRO 36 -19.981 38.378 10.513 278 HD3 PRO 36 HD3 PRO 36 -21.366 38.244 11.658 279 HA PRO 37 HA PRO 37 -15.051 36.451 14.301 280 HB2 PRO 37 HB2 PRO 37 -16.046 33.715 15.296 281 HB3 PRO 37 HB3 PRO 37 -14.612 34.609 15.889 282 HG2 PRO 37 HG2 PRO 37 -16.850 34.732 17.386 283 HG3 PRO 37 HG3 PRO 37 -16.027 36.264 16.962 284 HD2 PRO 37 HD2 PRO 37 -18.520 35.089 15.580 285 HD3 PRO 37 HD3 PRO 37 -18.222 36.745 16.229 286 HA PRO 38 HA PRO 38 -14.458 34.136 10.449 287 HB2 PRO 38 HB2 PRO 38 -12.950 32.155 12.251 288 HB3 PRO 38 HB3 PRO 38 -12.544 32.605 10.568 289 HG2 PRO 38 HG2 PRO 38 -11.235 33.927 12.520 290 HG3 PRO 38 HG3 PRO 38 -12.062 34.912 11.277 291 HD2 PRO 38 HD2 PRO 38 -13.082 34.253 14.089 292 HD3 PRO 38 HD3 PRO 38 -13.073 35.839 13.229 293 H LYS 39 H LYS 39 -15.398 31.894 13.266 294 HA LYS 39 HA LYS 39 -16.521 30.003 11.374 295 HB2 LYS 39 H42 LYS 39 -17.161 30.258 14.366 296 HB3 LYS 39 H43 LYS 39 -17.705 28.958 13.275 297 HG2 LYS 39 H23 LYS 39 -15.287 28.404 12.764 298 HG3 LYS 39 H22 LYS 39 -14.784 29.598 13.988 299 HD2 LYS 39 H33 LYS 39 -16.154 28.296 15.715 300 HD3 LYS 39 H32 LYS 39 -16.422 27.043 14.477 301 HE2 LYS 39 H53 LYS 39 -13.681 27.952 15.585 302 HE3 LYS 39 H52 LYS 39 -14.561 26.471 16.036 303 HZ1 LYS 39 H71 LYS 39 -13.401 27.106 13.322 304 HZ2 LYS 39 H73 LYS 39 -14.419 25.716 13.680 305 HZ3 LYS 39 H72 LYS 39 -12.859 25.898 14.466 306 HN1 NH2 40 H11 LYS 39 -19.445 32.690 12.615 307 HN2 NH2 40 H12 LYS 39 -17.983 32.609 13.523 308 H93 EVT 101 H93 XXX 40 -16.900 14.079 8.417 309 H92 EVT 101 H92 XXX 40 -15.445 13.092 8.236 310 H103 EVT 101 H103 XXX 40 -16.765 13.950 10.878 311 H102 EVT 101 H102 XXX 40 -16.684 12.305 10.203 312 H11 EVT 101 H11 XXX 40 -14.312 13.981 11.197 313 H122 EVT 101 H122 XXX 40 -11.846 11.253 8.870 314 H123 EVT 101 H123 XXX 40 -10.640 11.409 10.163 315 H133 EVT 101 H133 XXX 40 -12.898 9.298 10.081 316 H132 EVT 101 H132 XXX 40 -11.727 9.515 11.409 317 H143 EVT 101 H143 XXX 40 -9.843 9.120 9.746 318 H142 EVT 101 H142 XXX 40 -11.054 8.739 8.499 319 H153 EVT 101 H153 XXX 40 -11.843 6.780 9.814 320 H152 EVT 101 H152 XXX 40 -10.804 7.244 11.191 321 H6 EVT 101 H6 XXX 40 -16.527 16.250 9.789 322 H163 EVT 101 H163 XXX 40 -8.762 6.926 9.833 323 H162 EVT 101 H162 XXX 40 -9.731 6.452 8.412 324 H173 EVT 101 H173 XXX 40 -10.546 4.431 9.568 325 H172 EVT 101 H172 XXX 40 -9.796 4.943 11.103 326 H183 EVT 101 H183 XXX 40 -7.540 4.811 10.086 327 H182 EVT 101 H182 XXX 40 -8.233 4.298 8.527 328 H193 EVT 101 H193 XXX 40 -9.190 2.253 9.597 329 H192 EVT 101 H192 XXX 40 -8.475 2.717 11.163 330 H203 EVT 101 H203 XXX 40 -6.872 2.121 8.587 331 H202 EVT 101 H202 XXX 40 -7.148 0.968 9.916 332 H213 EVT 101 H213 XXX 40 -5.960 2.526 11.514 333 H212 EVT 101 H212 XXX 40 -5.569 3.610 10.150 334 H223 EVT 101 H223 XXX 40 -4.324 1.798 9.011 335 H222 EVT 101 H222 XXX 40 -4.662 0.680 10.366 336 H25 EVT 101 H25 XXX 40 -14.250 11.556 9.586 337 H293 EVT 101 H293 XXX 40 -3.498 2.256 11.952 338 H292 EVT 101 H292 XXX 40 -3.079 3.326 10.592 339 H303 EVT 101 H303 XXX 40 -2.151 0.396 10.920 340 H302 EVT 101 H302 XXX 40 -1.199 1.842 11.336 341 H313 EVT 101 H313 XXX 40 -1.312 2.587 8.903 342 H312 EVT 101 H312 XXX 40 -2.122 1.046 8.499 343 H321 EVT 101 H321 XXX 40 0.318 0.889 8.034 344 H323 EVT 101 H323 XXX 40 -0.131 -0.233 9.353 345 H322 EVT 101 H322 XXX 40 0.695 1.309 9.729 346 H353 EVT 101 H353 XXX 40 -15.677 19.205 7.572 347 H352 EVT 101 H352 XXX 40 -17.050 18.235 8.154 348 H363 EVT 101 H363 XXX 40 -16.280 18.644 10.545 349 H362 EVT 101 H362 XXX 40 -14.897 19.563 9.906 350 H37 EVT 101 H37 XXX 40 -14.114 17.528 8.682
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