NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504741 | 2emy | 10227 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -2.298 3.597 -23.606 2 HA2 GLY 1 1HA GLY 1 -1.499 1.931 -25.813 3 HA3 GLY 1 2HA GLY 1 -0.447 2.603 -24.577 4 H SER 2 H SER 2 0.501 0.380 -24.885 5 HA SER 2 HA SER 2 -0.777 -1.462 -22.977 6 HB2 SER 2 1HB SER 2 0.046 -3.362 -24.352 7 HB3 SER 2 2HB SER 2 -1.135 -2.371 -25.207 8 HG SER 2 HG SER 2 1.009 -1.254 -25.900 9 H SER 3 H SER 3 1.139 0.414 -22.267 10 HA SER 3 HA SER 3 3.513 -1.272 -21.808 11 HB2 SER 3 1HB SER 3 3.370 1.742 -22.060 12 HB3 SER 3 2HB SER 3 4.819 0.833 -21.629 13 HG SER 3 HG SER 3 5.126 0.574 -23.679 14 H GLY 4 H GLY 4 2.634 -2.133 -19.890 15 HA2 GLY 4 1HA GLY 4 1.762 -0.401 -17.762 16 HA3 GLY 4 2HA GLY 4 1.979 -2.143 -17.670 17 H SER 5 H SER 5 3.531 0.971 -17.350 18 HA SER 5 HA SER 5 6.027 -0.237 -16.466 19 HB2 SER 5 1HB SER 5 5.179 2.644 -16.821 20 HB3 SER 5 2HB SER 5 6.766 2.157 -16.227 21 HG SER 5 HG SER 5 5.647 1.858 -18.783 22 H SER 6 H SER 6 5.593 -1.208 -14.520 23 HA SER 6 HA SER 6 4.100 0.035 -12.440 24 HB2 SER 6 1HB SER 6 4.935 -1.823 -11.035 25 HB3 SER 6 2HB SER 6 4.296 -2.399 -12.574 26 HG SER 6 HG SER 6 6.492 -2.444 -13.327 27 H GLY 7 H GLY 7 5.041 0.446 -10.243 28 HA2 GLY 7 1HA GLY 7 7.720 1.672 -10.464 29 HA3 GLY 7 2HA GLY 7 6.384 2.505 -9.684 30 H THR 8 H THR 8 7.468 -0.874 -9.476 31 HA THR 8 HA THR 8 7.840 -0.469 -6.579 32 HB THR 8 HB THR 8 5.861 -1.832 -6.960 33 HG1 THR 8 HG1 THR 8 7.664 -2.398 -5.337 34 HG21 THR 8 3HG2 THR 8 5.721 -3.596 -8.387 35 HG22 THR 8 1HG2 THR 8 7.398 -4.076 -8.133 36 HG23 THR 8 2HG2 THR 8 7.019 -2.727 -9.205 37 H GLY 9 H GLY 9 9.961 -0.485 -6.181 38 HA2 GLY 9 1HA GLY 9 11.547 -2.695 -7.315 39 HA3 GLY 9 2HA GLY 9 12.155 -1.048 -7.391 40 H GLU 10 H GLU 10 12.170 0.091 -5.182 41 HA GLU 10 HA GLU 10 13.195 -1.816 -3.183 42 HB2 GLU 10 1HB GLU 10 14.036 1.055 -3.620 43 HB3 GLU 10 2HB GLU 10 14.695 -0.041 -2.414 44 HG2 GLU 10 1HG GLU 10 14.812 -0.686 -5.335 45 HG3 GLU 10 2HG GLU 10 16.022 0.338 -4.565 46 H ASN 11 H ASN 11 11.003 -1.977 -2.366 47 HA ASN 11 HA ASN 11 10.287 0.326 -0.674 48 HB2 ASN 11 1HB ASN 11 8.483 -1.543 -2.210 49 HB3 ASN 11 2HB ASN 11 7.897 -0.533 -0.891 50 HD21 ASN 11 1HD2 ASN 11 7.905 -0.701 -4.067 51 HD22 ASN 11 2HD2 ASN 11 7.970 0.971 -4.495 52 HA PRO 12 HA PRO 12 11.157 -3.210 2.122 53 HB2 PRO 12 1HB PRO 12 12.152 -1.657 4.114 54 HB3 PRO 12 2HB PRO 12 13.131 -2.216 2.752 55 HG2 PRO 12 1HG PRO 12 11.811 0.438 3.173 56 HG3 PRO 12 2HG PRO 12 13.434 0.081 2.553 57 HD2 PRO 12 1HD PRO 12 11.358 0.706 0.930 58 HD3 PRO 12 2HD PRO 12 12.656 -0.402 0.438 59 H TYR 13 H TYR 13 9.041 -0.606 2.084 60 HA TYR 13 HA TYR 13 7.739 -1.517 4.567 61 HB2 TYR 13 1HB TYR 13 7.504 1.220 3.304 62 HB3 TYR 13 2HB TYR 13 6.830 0.709 4.848 63 HD1 TYR 13 HD1 TYR 13 8.265 0.432 6.802 64 HD2 TYR 13 HD2 TYR 13 9.857 1.744 3.081 65 HE1 TYR 13 HE1 TYR 13 10.315 1.167 7.945 66 HE2 TYR 13 HE2 TYR 13 11.911 2.482 4.213 67 HH TYR 13 HH TYR 13 12.167 2.596 7.665 68 H GLU 14 H GLU 14 6.250 -2.944 3.868 69 HA GLU 14 HA GLU 14 4.438 -2.080 1.711 70 HB2 GLU 14 1HB GLU 14 5.571 -4.732 2.445 71 HB3 GLU 14 2HB GLU 14 3.932 -4.698 1.811 72 HG2 GLU 14 1HG GLU 14 4.594 -4.047 -0.266 73 HG3 GLU 14 2HG GLU 14 6.021 -3.202 0.331 74 H CYS 15 H CYS 15 2.233 -2.234 2.001 75 HA CYS 15 HA CYS 15 1.290 -2.015 4.677 76 HB2 CYS 15 1HB CYS 15 0.289 -0.804 2.749 77 HB3 CYS 15 2HB CYS 15 -0.315 -2.339 2.134 78 H HIS 16 H HIS 16 0.458 -3.505 6.003 79 HA HIS 16 HA HIS 16 0.388 -6.269 5.094 80 HB2 HIS 16 1HB HIS 16 0.104 -6.800 7.501 81 HB3 HIS 16 2HB HIS 16 1.538 -5.828 7.185 82 HD1 HIS 16 HD1 HIS 16 1.842 -4.077 8.886 83 HD2 HIS 16 HD2 HIS 16 -2.180 -4.870 8.209 84 HE1 HIS 16 HE1 HIS 16 0.584 -2.548 10.437 85 H GLU 17 H GLU 17 -1.674 -4.255 4.322 86 HA GLU 17 HA GLU 17 -4.028 -5.684 5.371 87 HB2 GLU 17 1HB GLU 17 -3.898 -2.795 4.490 88 HB3 GLU 17 2HB GLU 17 -5.324 -3.630 5.091 89 HG2 GLU 17 1HG GLU 17 -3.921 -4.044 7.208 90 HG3 GLU 17 2HG GLU 17 -2.883 -2.764 6.583 91 H CYS 18 H CYS 18 -2.917 -3.708 2.619 92 HA CYS 18 HA CYS 18 -4.662 -5.298 0.866 93 HB2 CYS 18 1HB CYS 18 -4.452 -3.450 -0.743 94 HB3 CYS 18 2HB CYS 18 -5.081 -2.889 0.802 95 H GLY 19 H GLY 19 -1.389 -3.937 1.096 96 HA2 GLY 19 1HA GLY 19 0.390 -5.627 0.564 97 HA3 GLY 19 2HA GLY 19 -0.528 -5.938 -0.902 98 H LYS 20 H LYS 20 -0.306 -2.692 0.267 99 HA LYS 20 HA LYS 20 0.926 -1.811 -2.151 100 HB2 LYS 20 1HB LYS 20 -0.748 -0.526 -0.724 101 HB3 LYS 20 2HB LYS 20 0.589 -0.187 0.367 102 HG2 LYS 20 1HG LYS 20 1.680 1.154 -1.183 103 HG3 LYS 20 2HG LYS 20 0.784 0.476 -2.544 104 HD2 LYS 20 1HD LYS 20 -0.748 1.888 -0.423 105 HD3 LYS 20 2HD LYS 20 0.210 2.860 -1.542 106 HE2 LYS 20 1HE LYS 20 -0.947 1.447 -3.376 107 HE3 LYS 20 2HE LYS 20 -2.110 1.053 -2.111 108 HZ1 LYS 20 3HZ LYS 20 -1.493 3.703 -3.269 109 HZ2 LYS 20 1HZ LYS 20 -2.291 3.546 -1.785 110 HZ3 LYS 20 2HZ LYS 20 -2.986 2.911 -3.190 111 H ALA 21 H ALA 21 2.828 -0.214 -1.994 112 HA ALA 21 HA ALA 21 4.840 -1.104 -0.058 113 HB1 ALA 21 3HB ALA 21 5.775 -2.389 -1.635 114 HB2 ALA 21 1HB ALA 21 4.873 -1.612 -2.937 115 HB3 ALA 21 2HB ALA 21 6.350 -0.869 -2.321 116 H PHE 22 H PHE 22 6.349 0.433 0.498 117 HA PHE 22 HA PHE 22 6.278 3.007 -0.896 118 HB2 PHE 22 1HB PHE 22 6.127 2.827 2.114 119 HB3 PHE 22 2HB PHE 22 5.977 4.268 1.113 120 HD1 PHE 22 HD2 PHE 22 4.339 0.985 1.738 121 HD2 PHE 22 HD1 PHE 22 3.880 5.045 0.545 122 HE1 PHE 22 HE2 PHE 22 1.896 0.692 1.693 123 HE2 PHE 22 HE1 PHE 22 1.437 4.759 0.499 124 HZ PHE 22 HZ PHE 22 0.442 2.580 1.073 125 H SER 23 H SER 23 8.103 4.402 -0.363 126 HA SER 23 HA SER 23 10.536 2.906 -0.228 127 HB2 SER 23 1HB SER 23 9.955 5.175 -1.468 128 HB3 SER 23 2HB SER 23 10.521 5.882 0.045 129 HG SER 23 HG SER 23 12.485 5.422 -0.519 130 H ARG 24 H ARG 24 9.067 5.385 1.866 131 HA ARG 24 HA ARG 24 10.905 4.579 4.011 132 HB2 ARG 24 1HB ARG 24 9.114 6.978 4.162 133 HB3 ARG 24 2HB ARG 24 10.659 6.695 4.953 134 HG2 ARG 24 1HG ARG 24 11.513 6.684 2.444 135 HG3 ARG 24 2HG ARG 24 10.074 7.681 2.223 136 HD2 ARG 24 1HD ARG 24 11.927 9.129 2.667 137 HD3 ARG 24 2HD ARG 24 10.874 9.131 4.081 138 HE ARG 24 HE ARG 24 12.706 7.215 4.654 139 HH11 ARG 24 1HH1 ARG 24 12.924 10.549 3.675 140 HH12 ARG 24 2HH1 ARG 24 14.414 10.833 4.513 141 HH21 ARG 24 1HH2 ARG 24 14.667 7.577 5.761 142 HH22 ARG 24 2HH2 ARG 24 15.405 9.142 5.698 143 H LYS 25 H LYS 25 9.889 4.806 6.267 144 HA LYS 25 HA LYS 25 7.782 2.920 6.468 145 HB2 LYS 25 1HB LYS 25 9.477 3.097 8.201 146 HB3 LYS 25 2HB LYS 25 8.994 4.753 8.545 147 HG2 LYS 25 1HG LYS 25 8.033 3.479 10.249 148 HG3 LYS 25 2HG LYS 25 6.709 3.798 9.126 149 HD2 LYS 25 1HD LYS 25 6.745 1.610 8.286 150 HD3 LYS 25 2HD LYS 25 8.353 1.292 8.941 151 HE2 LYS 25 1HE LYS 25 7.497 1.250 11.180 152 HE3 LYS 25 2HE LYS 25 5.909 1.788 10.634 153 HZ1 LYS 25 3HZ LYS 25 5.804 -0.310 9.311 154 HZ2 LYS 25 1HZ LYS 25 5.787 -0.534 10.988 155 HZ3 LYS 25 2HZ LYS 25 7.203 -0.827 10.111 156 H TYR 26 H TYR 26 7.927 6.415 7.118 157 HA TYR 26 HA TYR 26 5.278 6.765 7.911 158 HB2 TYR 26 1HB TYR 26 5.710 9.014 7.843 159 HB3 TYR 26 2HB TYR 26 7.363 8.411 7.800 160 HD1 TYR 26 HD1 TYR 26 8.616 8.390 5.662 161 HD2 TYR 26 HD2 TYR 26 4.763 10.167 5.978 162 HE1 TYR 26 HE1 TYR 26 9.005 9.595 3.553 163 HE2 TYR 26 HE2 TYR 26 5.141 11.376 3.870 164 HH TYR 26 HH TYR 26 8.200 11.056 2.092 165 H GLN 27 H GLN 27 6.722 6.834 4.682 166 HA GLN 27 HA GLN 27 4.598 7.729 3.179 167 HB2 GLN 27 1HB GLN 27 6.645 5.608 2.524 168 HB3 GLN 27 2HB GLN 27 5.530 6.279 1.341 169 HG2 GLN 27 1HG GLN 27 6.488 8.556 2.020 170 HG3 GLN 27 2HG GLN 27 7.789 7.629 2.765 171 HE21 GLN 27 1HE2 GLN 27 9.025 8.922 1.163 172 HE22 GLN 27 2HE2 GLN 27 9.226 8.259 -0.420 173 H LEU 28 H LEU 28 4.978 4.681 4.794 174 HA LEU 28 HA LEU 28 2.761 3.450 3.382 175 HB2 LEU 28 1HB LEU 28 4.415 1.903 3.890 176 HB3 LEU 28 2HB LEU 28 4.678 2.568 5.501 177 HG LEU 28 HG LEU 28 2.650 1.552 6.307 178 HD11 LEU 28 1HD1 LEU 28 1.578 1.821 3.929 179 HD12 LEU 28 2HD1 LEU 28 1.040 0.549 5.024 180 HD13 LEU 28 3HD1 LEU 28 2.160 0.170 3.715 181 HD21 LEU 28 3HD2 LEU 28 3.867 -0.266 6.670 182 HD22 LEU 28 1HD2 LEU 28 4.870 0.098 5.265 183 HD23 LEU 28 2HD2 LEU 28 3.412 -0.877 5.078 184 H ILE 29 H ILE 29 3.494 4.552 6.679 185 HA ILE 29 HA ILE 29 1.149 3.886 7.955 186 HB ILE 29 HB ILE 29 3.006 6.216 8.318 187 HG12 ILE 29 1HG1 ILE 29 3.289 4.981 10.554 188 HG13 ILE 29 2HG1 ILE 29 2.396 3.665 9.801 189 HG21 ILE 29 1HG2 ILE 29 1.599 6.324 10.591 190 HG22 ILE 29 2HG2 ILE 29 1.227 7.317 9.183 191 HG23 ILE 29 3HG2 ILE 29 0.316 5.838 9.483 192 HD11 ILE 29 3HD1 ILE 29 4.086 3.420 8.115 193 HD12 ILE 29 1HD1 ILE 29 4.947 4.835 8.721 194 HD13 ILE 29 2HD1 ILE 29 4.840 3.377 9.708 195 H SER 30 H SER 30 1.830 6.846 6.106 196 HA SER 30 HA SER 30 -0.566 8.174 6.503 197 HB2 SER 30 1HB SER 30 1.429 9.123 5.348 198 HB3 SER 30 2HB SER 30 1.039 8.140 3.936 199 HG SER 30 HG SER 30 -0.974 9.764 4.978 200 H HIS 31 H HIS 31 0.173 5.491 4.388 201 HA HIS 31 HA HIS 31 -2.261 5.645 2.886 202 HB2 HIS 31 1HB HIS 31 -0.437 4.587 1.798 203 HB3 HIS 31 2HB HIS 31 -0.132 3.529 3.173 204 HD1 HIS 31 HD1 HIS 31 -2.622 4.041 0.377 205 HD2 HIS 31 HD2 HIS 31 -1.476 1.138 3.120 206 HE1 HIS 31 HE1 HIS 31 -3.860 1.957 -0.293 207 H GLN 32 H GLN 32 -1.084 3.535 5.498 208 HA GLN 32 HA GLN 32 -3.230 1.850 5.779 209 HB2 GLN 32 1HB GLN 32 -1.635 3.070 8.039 210 HB3 GLN 32 2HB GLN 32 -2.576 1.586 8.119 211 HG2 GLN 32 1HG GLN 32 -1.054 0.768 6.217 212 HG3 GLN 32 2HG GLN 32 -0.006 2.108 6.681 213 HE21 GLN 32 1HE2 GLN 32 -0.426 -1.073 7.055 214 HE22 GLN 32 2HE2 GLN 32 0.273 -1.303 8.618 215 H ARG 33 H ARG 33 -3.032 5.219 6.566 216 HA ARG 33 HA ARG 33 -5.056 5.512 8.432 217 HB2 ARG 33 1HB ARG 33 -4.500 7.402 6.141 218 HB3 ARG 33 2HB ARG 33 -5.252 7.802 7.679 219 HG2 ARG 33 1HG ARG 33 -2.422 6.826 7.366 220 HG3 ARG 33 2HG ARG 33 -2.895 8.520 7.511 221 HD2 ARG 33 1HD ARG 33 -3.803 6.566 9.574 222 HD3 ARG 33 2HD ARG 33 -2.141 7.153 9.617 223 HE ARG 33 HE ARG 33 -3.819 9.365 9.380 224 HH11 ARG 33 1HH1 ARG 33 -3.107 6.844 11.672 225 HH12 ARG 33 2HH1 ARG 33 -3.512 7.807 13.054 226 HH21 ARG 33 1HH2 ARG 33 -4.355 10.643 11.192 227 HH22 ARG 33 2HH2 ARG 33 -4.222 9.967 12.780 228 H THR 34 H THR 34 -5.262 4.961 4.985 229 HA THR 34 HA THR 34 -7.995 5.621 4.659 230 HB THR 34 HB THR 34 -7.879 4.597 2.523 231 HG1 THR 34 HG1 THR 34 -7.024 2.638 2.655 232 HG21 THR 34 3HG2 THR 34 -5.316 5.218 1.928 233 HG22 THR 34 1HG2 THR 34 -5.500 6.068 3.461 234 HG23 THR 34 2HG2 THR 34 -6.595 6.417 2.123 235 H HIS 35 H HIS 35 -6.327 2.704 5.655 236 HA HIS 35 HA HIS 35 -8.642 1.018 5.476 237 HB2 HIS 35 1HB HIS 35 -5.923 0.674 6.734 238 HB3 HIS 35 2HB HIS 35 -7.178 -0.555 6.858 239 HD1 HIS 35 HD1 HIS 35 -8.122 -1.352 4.380 240 HD2 HIS 35 HD2 HIS 35 -4.349 0.379 4.556 241 HE1 HIS 35 HE1 HIS 35 -6.970 -2.033 2.251 242 H ALA 36 H ALA 36 -7.227 3.086 7.884 243 HA ALA 36 HA ALA 36 -8.321 2.048 10.219 244 HB1 ALA 36 3HB ALA 36 -7.205 3.774 11.050 245 HB2 ALA 36 1HB ALA 36 -7.006 4.438 9.428 246 HB3 ALA 36 2HB ALA 36 -8.416 4.876 10.393 247 H GLY 37 H GLY 37 -10.351 1.741 10.844 248 HA2 GLY 37 1HA GLY 37 -12.417 3.460 11.000 249 HA3 GLY 37 2HA GLY 37 -12.528 2.913 9.334 250 H GLU 38 H GLU 38 -11.842 0.255 9.575 251 HA GLU 38 HA GLU 38 -13.499 -0.947 11.625 252 HB2 GLU 38 1HB GLU 38 -15.049 -2.017 10.162 253 HB3 GLU 38 2HB GLU 38 -15.065 -0.305 9.766 254 HG2 GLU 38 1HG GLU 38 -13.348 -2.226 8.246 255 HG3 GLU 38 2HG GLU 38 -15.052 -2.007 7.852 256 H LYS 39 H LYS 39 -13.224 -3.221 11.799 257 HA LYS 39 HA LYS 39 -10.648 -4.114 10.788 258 HB2 LYS 39 1HB LYS 39 -12.556 -5.446 12.719 259 HB3 LYS 39 2HB LYS 39 -10.921 -5.983 12.357 260 HG2 LYS 39 1HG LYS 39 -10.113 -3.763 13.210 261 HG3 LYS 39 2HG LYS 39 -11.760 -3.467 13.771 262 HD2 LYS 39 1HD LYS 39 -11.530 -5.739 14.964 263 HD3 LYS 39 2HD LYS 39 -9.797 -5.542 14.691 264 HE2 LYS 39 1HE LYS 39 -10.087 -3.235 15.767 265 HE3 LYS 39 2HE LYS 39 -11.651 -3.831 16.321 266 HZ1 LYS 39 3HZ LYS 39 -9.745 -5.773 16.923 267 HZ2 LYS 39 1HZ LYS 39 -10.620 -4.806 18.001 268 HZ3 LYS 39 2HZ LYS 39 -9.113 -4.289 17.433 269 HA PRO 40 HA PRO 40 -12.353 -6.541 7.523 270 HB2 PRO 40 1HB PRO 40 -10.236 -8.191 7.117 271 HB3 PRO 40 2HB PRO 40 -10.246 -6.500 6.606 272 HG2 PRO 40 1HG PRO 40 -9.019 -7.734 9.041 273 HG3 PRO 40 2HG PRO 40 -8.351 -6.504 7.953 274 HD2 PRO 40 1HD PRO 40 -9.456 -5.887 10.347 275 HD3 PRO 40 2HD PRO 40 -9.541 -4.798 8.948 276 H SER 41 H SER 41 -12.153 -9.082 6.943 277 HA SER 41 HA SER 41 -13.184 -10.467 9.322 278 HB2 SER 41 1HB SER 41 -14.379 -11.933 7.770 279 HB3 SER 41 2HB SER 41 -14.758 -10.245 7.428 280 HG SER 41 HG SER 41 -14.089 -11.842 5.644 281 H GLY 42 H GLY 42 -11.290 -11.263 10.196 282 HA2 GLY 42 1HA GLY 42 -9.668 -13.019 8.473 283 HA3 GLY 42 2HA GLY 42 -9.120 -12.287 9.973 284 HA PRO 43 HA PRO 43 -9.980 -16.081 12.008 285 HB2 PRO 43 1HB PRO 43 -10.274 -15.176 14.551 286 HB3 PRO 43 2HB PRO 43 -8.706 -15.275 13.742 287 HG2 PRO 43 1HG PRO 43 -10.493 -12.904 14.127 288 HG3 PRO 43 2HG PRO 43 -8.732 -13.018 14.302 289 HD2 PRO 43 1HD PRO 43 -9.913 -11.984 12.096 290 HD3 PRO 43 2HD PRO 43 -8.370 -12.860 12.031 291 H SER 44 H SER 44 -11.625 -17.213 13.221 292 HA SER 44 HA SER 44 -13.790 -17.846 13.538 293 HB2 SER 44 1HB SER 44 -14.226 -14.937 14.249 294 HB3 SER 44 2HB SER 44 -15.193 -16.315 14.775 295 HG SER 44 HG SER 44 -12.558 -15.620 15.518 296 H SER 45 H SER 45 -13.142 -17.258 10.888 297 HA SER 45 HA SER 45 -15.706 -17.018 9.734 298 HB2 SER 45 1HB SER 45 -15.111 -14.586 10.356 299 HB3 SER 45 2HB SER 45 -13.942 -14.676 9.039 300 HG SER 45 HG SER 45 -15.768 -13.931 8.106 301 H GLY 46 H GLY 46 -15.469 -16.710 7.237 302 HA2 GLY 46 1HA GLY 46 -13.574 -18.693 6.376 303 HA3 GLY 46 2HA GLY 46 -14.745 -17.859 5.365 Start of MODEL 2 1 H1 GLY 1 H GLY 1 0.353 -21.770 -16.889 2 HA2 GLY 1 1HA GLY 1 -0.875 -19.379 -16.077 3 HA3 GLY 1 2HA GLY 1 -0.319 -20.225 -14.640 4 H SER 2 H SER 2 0.638 -17.708 -15.430 5 HA SER 2 HA SER 2 3.408 -18.363 -16.198 6 HB2 SER 2 1HB SER 2 2.108 -16.946 -17.846 7 HB3 SER 2 2HB SER 2 2.061 -15.688 -16.611 8 HG SER 2 HG SER 2 3.930 -15.144 -17.396 9 H SER 3 H SER 3 4.787 -18.174 -14.576 10 HA SER 3 HA SER 3 4.670 -15.892 -12.796 11 HB2 SER 3 1HB SER 3 3.215 -17.392 -11.591 12 HB3 SER 3 2HB SER 3 4.358 -18.723 -11.773 13 HG SER 3 HG SER 3 5.827 -17.509 -10.483 14 H GLY 4 H GLY 4 6.673 -15.185 -12.470 15 HA2 GLY 4 1HA GLY 4 8.872 -16.895 -11.890 16 HA3 GLY 4 2HA GLY 4 8.944 -16.339 -13.556 17 H SER 5 H SER 5 7.923 -13.754 -13.229 18 HA SER 5 HA SER 5 10.073 -12.189 -12.840 19 HB2 SER 5 1HB SER 5 7.667 -11.516 -13.483 20 HB3 SER 5 2HB SER 5 7.414 -11.279 -11.754 21 HG SER 5 HG SER 5 8.102 -9.373 -12.921 22 H SER 6 H SER 6 11.515 -12.472 -11.242 23 HA SER 6 HA SER 6 10.550 -12.564 -8.470 24 HB2 SER 6 1HB SER 6 13.281 -13.250 -9.585 25 HB3 SER 6 2HB SER 6 12.777 -13.435 -7.905 26 HG SER 6 HG SER 6 12.612 -15.267 -9.638 27 H GLY 7 H GLY 7 10.435 -10.088 -9.719 28 HA2 GLY 7 1HA GLY 7 12.810 -8.589 -8.959 29 HA3 GLY 7 2HA GLY 7 11.376 -7.946 -9.746 30 H THR 8 H THR 8 13.090 -7.511 -7.121 31 HA THR 8 HA THR 8 10.755 -7.168 -5.354 32 HB THR 8 HB THR 8 12.432 -7.147 -3.472 33 HG1 THR 8 HG1 THR 8 14.192 -6.936 -5.278 34 HG21 THR 8 3HG2 THR 8 12.372 -9.697 -5.087 35 HG22 THR 8 1HG2 THR 8 11.056 -9.132 -4.060 36 HG23 THR 8 2HG2 THR 8 12.613 -9.552 -3.347 37 H GLY 9 H GLY 9 10.211 -5.102 -6.078 38 HA2 GLY 9 1HA GLY 9 11.841 -2.957 -6.604 39 HA3 GLY 9 2HA GLY 9 10.234 -2.807 -5.908 40 H GLU 10 H GLU 10 12.403 -1.063 -5.375 41 HA GLU 10 HA GLU 10 13.573 -1.744 -2.847 42 HB2 GLU 10 1HB GLU 10 14.654 -0.231 -4.510 43 HB3 GLU 10 2HB GLU 10 13.405 0.962 -4.182 44 HG2 GLU 10 1HG GLU 10 15.028 1.732 -2.802 45 HG3 GLU 10 2HG GLU 10 14.219 0.621 -1.698 46 H ASN 11 H ASN 11 11.195 -2.254 -2.146 47 HA ASN 11 HA ASN 11 10.228 0.106 -0.678 48 HB2 ASN 11 1HB ASN 11 8.520 -2.036 -1.964 49 HB3 ASN 11 2HB ASN 11 7.918 -0.731 -0.947 50 HD21 ASN 11 1HD2 ASN 11 7.651 1.272 -1.792 51 HD22 ASN 11 2HD2 ASN 11 7.906 1.656 -3.457 52 HA PRO 12 HA PRO 12 11.252 -3.213 2.338 53 HB2 PRO 12 1HB PRO 12 12.154 -1.496 4.237 54 HB3 PRO 12 2HB PRO 12 13.172 -2.094 2.922 55 HG2 PRO 12 1HG PRO 12 11.732 0.519 3.164 56 HG3 PRO 12 2HG PRO 12 13.375 0.197 2.582 57 HD2 PRO 12 1HD PRO 12 11.294 0.627 0.905 58 HD3 PRO 12 2HD PRO 12 12.644 -0.450 0.494 59 H TYR 13 H TYR 13 9.025 -0.709 2.121 60 HA TYR 13 HA TYR 13 7.691 -1.593 4.595 61 HB2 TYR 13 1HB TYR 13 7.484 1.162 3.371 62 HB3 TYR 13 2HB TYR 13 6.799 0.629 4.902 63 HD1 TYR 13 HD1 TYR 13 8.319 0.116 6.814 64 HD2 TYR 13 HD2 TYR 13 9.737 1.898 3.221 65 HE1 TYR 13 HE1 TYR 13 10.360 0.834 7.983 66 HE2 TYR 13 HE2 TYR 13 11.783 2.620 4.379 67 HH TYR 13 HH TYR 13 12.372 3.134 6.924 68 H GLU 14 H GLU 14 6.151 -2.951 3.910 69 HA GLU 14 HA GLU 14 4.423 -2.065 1.692 70 HB2 GLU 14 1HB GLU 14 5.531 -4.725 2.414 71 HB3 GLU 14 2HB GLU 14 3.888 -4.690 1.787 72 HG2 GLU 14 1HG GLU 14 4.541 -4.040 -0.291 73 HG3 GLU 14 2HG GLU 14 5.963 -3.183 0.301 74 H CYS 15 H CYS 15 2.212 -2.185 1.931 75 HA CYS 15 HA CYS 15 1.216 -2.005 4.597 76 HB2 CYS 15 1HB CYS 15 0.309 -0.715 2.656 77 HB3 CYS 15 2HB CYS 15 -0.362 -2.216 2.026 78 H HIS 16 H HIS 16 0.538 -3.584 5.878 79 HA HIS 16 HA HIS 16 0.308 -6.282 4.844 80 HB2 HIS 16 1HB HIS 16 0.037 -6.908 7.230 81 HB3 HIS 16 2HB HIS 16 1.497 -5.970 6.935 82 HD1 HIS 16 HD1 HIS 16 1.874 -4.442 8.828 83 HD2 HIS 16 HD2 HIS 16 -2.166 -4.800 7.929 84 HE1 HIS 16 HE1 HIS 16 0.690 -2.906 10.430 85 H GLU 17 H GLU 17 -1.704 -4.166 4.202 86 HA GLU 17 HA GLU 17 -4.088 -5.544 5.255 87 HB2 GLU 17 1HB GLU 17 -3.854 -2.662 4.371 88 HB3 GLU 17 2HB GLU 17 -5.317 -3.440 4.958 89 HG2 GLU 17 1HG GLU 17 -3.960 -3.915 7.087 90 HG3 GLU 17 2HG GLU 17 -2.850 -2.691 6.473 91 H CYS 18 H CYS 18 -2.857 -3.705 2.467 92 HA CYS 18 HA CYS 18 -4.691 -5.241 0.749 93 HB2 CYS 18 1HB CYS 18 -4.506 -3.402 -0.866 94 HB3 CYS 18 2HB CYS 18 -5.091 -2.823 0.691 95 H GLY 19 H GLY 19 -1.411 -3.879 0.913 96 HA2 GLY 19 1HA GLY 19 0.348 -5.597 0.367 97 HA3 GLY 19 2HA GLY 19 -0.587 -5.887 -1.093 98 H LYS 20 H LYS 20 -0.211 -2.673 0.189 99 HA LYS 20 HA LYS 20 1.001 -1.791 -2.264 100 HB2 LYS 20 1HB LYS 20 -0.676 -0.565 -0.620 101 HB3 LYS 20 2HB LYS 20 0.817 -0.024 0.134 102 HG2 LYS 20 1HG LYS 20 1.527 1.065 -1.852 103 HG3 LYS 20 2HG LYS 20 0.230 0.325 -2.794 104 HD2 LYS 20 1HD LYS 20 -1.295 1.540 -1.022 105 HD3 LYS 20 2HD LYS 20 0.123 2.576 -0.843 106 HE2 LYS 20 1HE LYS 20 -0.035 3.390 -2.986 107 HE3 LYS 20 2HE LYS 20 -0.871 1.957 -3.583 108 HZ1 LYS 20 3HZ LYS 20 -1.951 4.340 -2.309 109 HZ2 LYS 20 1HZ LYS 20 -2.680 2.873 -1.886 110 HZ3 LYS 20 2HZ LYS 20 -2.623 3.352 -3.507 111 H ALA 21 H ALA 21 2.906 -0.207 -2.087 112 HA ALA 21 HA ALA 21 4.885 -1.111 -0.120 113 HB1 ALA 21 3HB ALA 21 5.925 -2.324 -1.672 114 HB2 ALA 21 1HB ALA 21 4.935 -1.652 -2.969 115 HB3 ALA 21 2HB ALA 21 6.378 -0.795 -2.425 116 H PHE 22 H PHE 22 6.374 0.419 0.494 117 HA PHE 22 HA PHE 22 6.313 3.020 -0.854 118 HB2 PHE 22 1HB PHE 22 6.158 2.787 2.151 119 HB3 PHE 22 2HB PHE 22 5.983 4.239 1.170 120 HD1 PHE 22 HD2 PHE 22 4.399 0.916 1.729 121 HD2 PHE 22 HD1 PHE 22 3.872 4.997 0.642 122 HE1 PHE 22 HE2 PHE 22 1.962 0.585 1.687 123 HE2 PHE 22 HE1 PHE 22 1.433 4.673 0.598 124 HZ PHE 22 HZ PHE 22 0.475 2.465 1.120 125 H SER 23 H SER 23 8.165 4.332 -0.483 126 HA SER 23 HA SER 23 10.580 2.849 -0.272 127 HB2 SER 23 1HB SER 23 9.941 5.777 -0.540 128 HB3 SER 23 2HB SER 23 11.599 5.231 -0.288 129 HG SER 23 HG SER 23 11.662 4.703 -2.310 130 H ARG 24 H ARG 24 9.105 5.340 1.800 131 HA ARG 24 HA ARG 24 10.966 4.588 3.942 132 HB2 ARG 24 1HB ARG 24 9.104 6.931 4.099 133 HB3 ARG 24 2HB ARG 24 10.666 6.701 4.873 134 HG2 ARG 24 1HG ARG 24 11.575 6.750 2.435 135 HG3 ARG 24 2HG ARG 24 10.041 7.547 2.083 136 HD2 ARG 24 1HD ARG 24 10.523 9.337 3.541 137 HD3 ARG 24 2HD ARG 24 11.858 8.465 4.293 138 HE ARG 24 HE ARG 24 11.912 9.928 1.796 139 HH11 ARG 24 1HH1 ARG 24 13.480 7.589 3.842 140 HH12 ARG 24 2HH1 ARG 24 15.038 7.804 3.115 141 HH21 ARG 24 1HH2 ARG 24 13.958 10.220 0.830 142 HH22 ARG 24 2HH2 ARG 24 15.309 9.302 1.403 143 H LYS 25 H LYS 25 9.855 4.983 6.210 144 HA LYS 25 HA LYS 25 7.823 2.978 6.425 145 HB2 LYS 25 1HB LYS 25 9.524 3.166 8.146 146 HB3 LYS 25 2HB LYS 25 9.041 4.823 8.487 147 HG2 LYS 25 1HG LYS 25 8.066 3.615 10.204 148 HG3 LYS 25 2HG LYS 25 6.743 3.812 9.051 149 HD2 LYS 25 1HD LYS 25 8.460 1.401 8.794 150 HD3 LYS 25 2HD LYS 25 7.325 1.463 10.145 151 HE2 LYS 25 1HE LYS 25 5.658 2.216 8.235 152 HE3 LYS 25 2HE LYS 25 6.804 1.344 7.218 153 HZ1 LYS 25 3HZ LYS 25 6.147 -0.149 9.547 154 HZ2 LYS 25 1HZ LYS 25 6.002 -0.585 7.919 155 HZ3 LYS 25 2HZ LYS 25 4.751 0.259 8.683 156 H TYR 26 H TYR 26 7.929 6.471 7.104 157 HA TYR 26 HA TYR 26 5.286 6.789 7.914 158 HB2 TYR 26 1HB TYR 26 5.719 9.026 7.891 159 HB3 TYR 26 2HB TYR 26 7.376 8.459 7.725 160 HD1 TYR 26 HD1 TYR 26 8.338 8.283 5.360 161 HD2 TYR 26 HD2 TYR 26 4.771 10.418 6.266 162 HE1 TYR 26 HE1 TYR 26 8.561 9.535 3.255 163 HE2 TYR 26 HE2 TYR 26 4.983 11.676 4.163 164 HH TYR 26 HH TYR 26 6.375 10.965 1.725 165 H GLN 27 H GLN 27 6.691 6.821 4.673 166 HA GLN 27 HA GLN 27 4.540 7.707 3.190 167 HB2 GLN 27 1HB GLN 27 6.587 5.595 2.506 168 HB3 GLN 27 2HB GLN 27 5.468 6.288 1.340 169 HG2 GLN 27 1HG GLN 27 6.431 8.542 1.953 170 HG3 GLN 27 2HG GLN 27 7.692 7.661 2.815 171 HE21 GLN 27 1HE2 GLN 27 8.344 9.350 0.780 172 HE22 GLN 27 2HE2 GLN 27 8.906 8.445 -0.580 173 H LEU 28 H LEU 28 4.982 4.663 4.799 174 HA LEU 28 HA LEU 28 2.766 3.400 3.418 175 HB2 LEU 28 1HB LEU 28 4.408 1.854 3.915 176 HB3 LEU 28 2HB LEU 28 4.737 2.561 5.496 177 HG LEU 28 HG LEU 28 2.788 1.545 6.434 178 HD11 LEU 28 1HD1 LEU 28 1.870 1.544 3.747 179 HD12 LEU 28 2HD1 LEU 28 0.979 1.157 5.218 180 HD13 LEU 28 3HD1 LEU 28 1.836 -0.114 4.346 181 HD21 LEU 28 3HD2 LEU 28 4.940 0.176 5.856 182 HD22 LEU 28 1HD2 LEU 28 3.858 -0.671 4.749 183 HD23 LEU 28 2HD2 LEU 28 3.503 -0.639 6.477 184 H ILE 29 H ILE 29 3.498 4.626 6.662 185 HA ILE 29 HA ILE 29 1.173 3.908 7.976 186 HB ILE 29 HB ILE 29 3.009 6.259 8.304 187 HG12 ILE 29 1HG1 ILE 29 3.307 5.054 10.556 188 HG13 ILE 29 2HG1 ILE 29 2.424 3.721 9.819 189 HG21 ILE 29 1HG2 ILE 29 0.310 5.923 9.416 190 HG22 ILE 29 2HG2 ILE 29 1.564 6.313 10.592 191 HG23 ILE 29 3HG2 ILE 29 1.284 7.379 9.216 192 HD11 ILE 29 3HD1 ILE 29 4.966 4.902 8.729 193 HD12 ILE 29 1HD1 ILE 29 4.868 3.450 9.724 194 HD13 ILE 29 2HD1 ILE 29 4.116 3.478 8.129 195 H SER 30 H SER 30 1.810 6.855 6.091 196 HA SER 30 HA SER 30 -0.602 8.158 6.489 197 HB2 SER 30 1HB SER 30 1.506 8.955 5.233 198 HB3 SER 30 2HB SER 30 0.795 8.176 3.820 199 HG SER 30 HG SER 30 -0.648 9.715 3.692 200 H HIS 31 H HIS 31 0.186 5.518 4.317 201 HA HIS 31 HA HIS 31 -2.254 5.615 2.842 202 HB2 HIS 31 1HB HIS 31 -0.377 4.568 1.799 203 HB3 HIS 31 2HB HIS 31 -0.143 3.481 3.166 204 HD1 HIS 31 HD1 HIS 31 -2.504 4.085 0.281 205 HD2 HIS 31 HD2 HIS 31 -1.553 1.128 3.040 206 HE1 HIS 31 HE1 HIS 31 -3.766 2.041 -0.463 207 H GLN 32 H GLN 32 -1.073 3.557 5.491 208 HA GLN 32 HA GLN 32 -3.182 1.836 5.784 209 HB2 GLN 32 1HB GLN 32 -1.660 3.157 8.038 210 HB3 GLN 32 2HB GLN 32 -2.570 1.656 8.146 211 HG2 GLN 32 1HG GLN 32 -0.988 0.838 6.275 212 HG3 GLN 32 2HG GLN 32 0.025 2.194 6.768 213 HE21 GLN 32 1HE2 GLN 32 -0.405 -0.995 7.159 214 HE22 GLN 32 2HE2 GLN 32 0.259 -1.207 8.740 215 H ARG 33 H ARG 33 -2.988 5.199 6.778 216 HA ARG 33 HA ARG 33 -5.074 5.490 8.499 217 HB2 ARG 33 1HB ARG 33 -4.586 7.356 6.175 218 HB3 ARG 33 2HB ARG 33 -5.308 7.758 7.727 219 HG2 ARG 33 1HG ARG 33 -2.447 6.973 7.216 220 HG3 ARG 33 2HG ARG 33 -3.051 8.571 7.660 221 HD2 ARG 33 1HD ARG 33 -4.044 7.205 9.707 222 HD3 ARG 33 2HD ARG 33 -2.694 6.137 9.323 223 HE ARG 33 HE ARG 33 -1.228 7.757 10.058 224 HH11 ARG 33 1HH1 ARG 33 -4.447 9.067 9.846 225 HH12 ARG 33 2HH1 ARG 33 -4.050 10.525 10.694 226 HH21 ARG 33 1HH2 ARG 33 -0.694 9.672 11.176 227 HH22 ARG 33 2HH2 ARG 33 -1.915 10.868 11.450 228 H THR 34 H THR 34 -5.272 5.147 4.988 229 HA THR 34 HA THR 34 -7.991 5.651 4.645 230 HB THR 34 HB THR 34 -7.851 4.460 2.558 231 HG1 THR 34 HG1 THR 34 -5.415 3.377 3.573 232 HG21 THR 34 3HG2 THR 34 -5.584 6.174 3.394 233 HG22 THR 34 1HG2 THR 34 -6.769 6.410 2.110 234 HG23 THR 34 2HG2 THR 34 -5.409 5.314 1.865 235 H HIS 35 H HIS 35 -6.318 2.687 5.576 236 HA HIS 35 HA HIS 35 -8.620 1.017 5.466 237 HB2 HIS 35 1HB HIS 35 -5.924 0.728 6.786 238 HB3 HIS 35 2HB HIS 35 -7.173 -0.506 6.925 239 HD1 HIS 35 HD1 HIS 35 -8.048 -1.429 4.485 240 HD2 HIS 35 HD2 HIS 35 -4.332 0.424 4.618 241 HE1 HIS 35 HE1 HIS 35 -6.860 -2.154 2.391 242 H ALA 36 H ALA 36 -7.016 2.824 8.046 243 HA ALA 36 HA ALA 36 -8.232 1.935 10.300 244 HB1 ALA 36 3HB ALA 36 -6.936 4.336 9.500 245 HB2 ALA 36 1HB ALA 36 -8.353 4.759 10.461 246 HB3 ALA 36 2HB ALA 36 -7.131 3.674 11.123 247 H GLY 37 H GLY 37 -10.274 1.558 10.840 248 HA2 GLY 37 1HA GLY 37 -12.332 3.509 10.150 249 HA3 GLY 37 2HA GLY 37 -12.550 1.881 9.524 250 H GLU 38 H GLU 38 -13.880 0.689 10.698 251 HA GLU 38 HA GLU 38 -14.153 1.291 13.561 252 HB2 GLU 38 1HB GLU 38 -16.011 0.170 11.501 253 HB3 GLU 38 2HB GLU 38 -16.261 -0.237 13.193 254 HG2 GLU 38 1HG GLU 38 -16.089 2.356 13.520 255 HG3 GLU 38 2HG GLU 38 -16.527 2.383 11.813 256 H LYS 39 H LYS 39 -12.358 0.093 14.263 257 HA LYS 39 HA LYS 39 -11.759 -2.543 13.584 258 HB2 LYS 39 1HB LYS 39 -11.283 -1.104 16.201 259 HB3 LYS 39 2HB LYS 39 -10.520 -2.618 15.731 260 HG2 LYS 39 1HG LYS 39 -9.745 -1.242 13.650 261 HG3 LYS 39 2HG LYS 39 -10.056 0.140 14.704 262 HD2 LYS 39 1HD LYS 39 -8.365 -0.412 16.153 263 HD3 LYS 39 2HD LYS 39 -8.459 -2.134 15.776 264 HE2 LYS 39 1HE LYS 39 -6.405 -1.232 14.893 265 HE3 LYS 39 2HE LYS 39 -7.474 -1.663 13.559 266 HZ1 LYS 39 3HZ LYS 39 -7.636 0.456 12.903 267 HZ2 LYS 39 1HZ LYS 39 -6.227 0.698 13.807 268 HZ3 LYS 39 2HZ LYS 39 -7.735 1.063 14.479 269 HA PRO 40 HA PRO 40 -14.953 -4.925 15.458 270 HB2 PRO 40 1HB PRO 40 -13.639 -7.289 15.692 271 HB3 PRO 40 2HB PRO 40 -14.219 -6.662 14.145 272 HG2 PRO 40 1HG PRO 40 -11.467 -6.560 15.318 273 HG3 PRO 40 2HG PRO 40 -11.961 -6.925 13.655 274 HD2 PRO 40 1HD PRO 40 -11.018 -4.497 14.394 275 HD3 PRO 40 2HD PRO 40 -12.229 -4.701 13.112 276 H SER 41 H SER 41 -15.056 -6.696 17.309 277 HA SER 41 HA SER 41 -14.848 -5.529 19.732 278 HB2 SER 41 1HB SER 41 -14.926 -7.727 20.747 279 HB3 SER 41 2HB SER 41 -15.901 -7.749 19.277 280 HG SER 41 HG SER 41 -14.415 -8.968 18.286 281 H GLY 42 H GLY 42 -13.369 -5.401 21.422 282 HA2 GLY 42 1HA GLY 42 -10.582 -6.080 20.716 283 HA3 GLY 42 2HA GLY 42 -11.004 -4.544 21.458 284 HA PRO 43 HA PRO 43 -10.371 -8.167 24.579 285 HB2 PRO 43 1HB PRO 43 -7.685 -8.095 24.965 286 HB3 PRO 43 2HB PRO 43 -8.457 -9.150 23.776 287 HG2 PRO 43 1HG PRO 43 -7.112 -6.507 23.372 288 HG3 PRO 43 2HG PRO 43 -6.997 -7.981 22.393 289 HD2 PRO 43 1HD PRO 43 -8.564 -5.886 21.693 290 HD3 PRO 43 2HD PRO 43 -8.988 -7.567 21.309 291 H SER 44 H SER 44 -10.250 -7.739 26.755 292 HA SER 44 HA SER 44 -10.544 -6.319 28.547 293 HB2 SER 44 1HB SER 44 -8.034 -7.011 28.350 294 HB3 SER 44 2HB SER 44 -7.783 -5.319 27.919 295 HG SER 44 HG SER 44 -8.871 -4.793 29.910 296 H SER 45 H SER 45 -11.692 -5.161 26.309 297 HA SER 45 HA SER 45 -10.814 -2.560 25.720 298 HB2 SER 45 1HB SER 45 -13.161 -2.189 24.936 299 HB3 SER 45 2HB SER 45 -12.427 -3.656 24.290 300 HG SER 45 HG SER 45 -14.659 -3.405 25.737 301 H GLY 46 H GLY 46 -10.579 -0.935 27.100 302 HA2 GLY 46 1HA GLY 46 -11.834 -0.862 29.654 303 HA3 GLY 46 2HA GLY 46 -10.880 0.424 28.932 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -1.523 -13.634 -14.327 2 HA2 GLY 1 1HA GLY 1 0.020 -15.666 -13.163 3 HA3 GLY 1 2HA GLY 1 0.326 -14.931 -14.730 4 H SER 2 H SER 2 2.395 -15.791 -13.110 5 HA SER 2 HA SER 2 3.569 -13.247 -12.193 6 HB2 SER 2 1HB SER 2 3.195 -14.922 -10.378 7 HB3 SER 2 2HB SER 2 4.280 -16.026 -11.224 8 HG SER 2 HG SER 2 4.849 -13.742 -9.760 9 H SER 3 H SER 3 4.716 -12.583 -13.925 10 HA SER 3 HA SER 3 6.800 -14.408 -14.917 11 HB2 SER 3 1HB SER 3 5.008 -12.598 -16.542 12 HB3 SER 3 2HB SER 3 6.505 -13.284 -17.173 13 HG SER 3 HG SER 3 4.645 -15.002 -15.983 14 H GLY 4 H GLY 4 8.201 -13.347 -13.406 15 HA2 GLY 4 1HA GLY 4 10.138 -11.831 -13.926 16 HA3 GLY 4 2HA GLY 4 8.921 -10.595 -14.208 17 H SER 5 H SER 5 10.774 -12.299 -11.860 18 HA SER 5 HA SER 5 9.353 -11.013 -9.647 19 HB2 SER 5 1HB SER 5 9.940 -13.455 -9.529 20 HB3 SER 5 2HB SER 5 11.640 -12.988 -9.497 21 HG SER 5 HG SER 5 10.834 -13.279 -7.392 22 H SER 6 H SER 6 12.597 -11.260 -11.056 23 HA SER 6 HA SER 6 13.861 -9.501 -9.246 24 HB2 SER 6 1HB SER 6 14.984 -11.135 -10.841 25 HB3 SER 6 2HB SER 6 14.694 -9.950 -12.115 26 HG SER 6 HG SER 6 15.847 -8.440 -10.690 27 H GLY 7 H GLY 7 14.589 -7.334 -9.595 28 HA2 GLY 7 1HA GLY 7 14.552 -5.259 -10.769 29 HA3 GLY 7 2HA GLY 7 13.140 -5.819 -11.653 30 H THR 8 H THR 8 11.537 -6.677 -9.551 31 HA THR 8 HA THR 8 10.891 -4.099 -8.296 32 HB THR 8 HB THR 8 9.146 -5.109 -9.747 33 HG1 THR 8 HG1 THR 8 7.511 -4.667 -8.294 34 HG21 THR 8 3HG2 THR 8 8.364 -7.115 -7.763 35 HG22 THR 8 1HG2 THR 8 9.873 -7.486 -8.596 36 HG23 THR 8 2HG2 THR 8 8.397 -7.216 -9.523 37 H GLY 9 H GLY 9 11.253 -3.862 -6.192 38 HA2 GLY 9 1HA GLY 9 10.481 -5.329 -4.087 39 HA3 GLY 9 2HA GLY 9 11.939 -6.177 -4.578 40 H GLU 10 H GLU 10 11.458 -2.701 -4.809 41 HA GLU 10 HA GLU 10 13.658 -2.356 -2.889 42 HB2 GLU 10 1HB GLU 10 13.940 -1.507 -5.249 43 HB3 GLU 10 2HB GLU 10 12.666 -0.345 -4.910 44 HG2 GLU 10 1HG GLU 10 14.459 0.950 -4.442 45 HG3 GLU 10 2HG GLU 10 14.230 0.220 -2.854 46 H ASN 11 H ASN 11 11.000 -2.798 -1.983 47 HA ASN 11 HA ASN 11 10.501 -0.218 -0.663 48 HB2 ASN 11 1HB ASN 11 8.518 -2.057 -1.975 49 HB3 ASN 11 2HB ASN 11 8.024 -1.006 -0.651 50 HD21 ASN 11 1HD2 ASN 11 9.304 1.284 -1.078 51 HD22 ASN 11 2HD2 ASN 11 8.865 1.974 -2.600 52 HA PRO 12 HA PRO 12 11.223 -3.289 2.626 53 HB2 PRO 12 1HB PRO 12 12.096 -1.453 4.426 54 HB3 PRO 12 2HB PRO 12 13.141 -2.155 3.184 55 HG2 PRO 12 1HG PRO 12 11.731 0.486 3.203 56 HG3 PRO 12 2HG PRO 12 13.386 0.105 2.692 57 HD2 PRO 12 1HD PRO 12 11.357 0.440 0.930 58 HD3 PRO 12 2HD PRO 12 12.703 -0.679 0.634 59 H TYR 13 H TYR 13 9.034 -0.788 2.167 60 HA TYR 13 HA TYR 13 7.617 -1.486 4.654 61 HB2 TYR 13 1HB TYR 13 7.481 1.192 3.262 62 HB3 TYR 13 2HB TYR 13 6.767 0.762 4.812 63 HD1 TYR 13 HD1 TYR 13 8.256 0.344 6.774 64 HD2 TYR 13 HD2 TYR 13 9.744 1.892 3.101 65 HE1 TYR 13 HE1 TYR 13 10.291 1.107 7.926 66 HE2 TYR 13 HE2 TYR 13 11.784 2.657 4.243 67 HH TYR 13 HH TYR 13 12.120 3.184 7.247 68 H GLU 14 H GLU 14 6.110 -2.891 3.964 69 HA GLU 14 HA GLU 14 4.417 -2.067 1.696 70 HB2 GLU 14 1HB GLU 14 5.540 -4.709 2.471 71 HB3 GLU 14 2HB GLU 14 3.917 -4.691 1.796 72 HG2 GLU 14 1HG GLU 14 4.624 -4.047 -0.267 73 HG3 GLU 14 2HG GLU 14 6.026 -3.182 0.360 74 H CYS 15 H CYS 15 2.210 -2.187 1.913 75 HA CYS 15 HA CYS 15 1.196 -2.096 4.595 76 HB2 CYS 15 1HB CYS 15 0.402 -0.678 2.631 77 HB3 CYS 15 2HB CYS 15 -0.443 -2.115 2.062 78 H HIS 16 H HIS 16 0.986 -3.949 5.683 79 HA HIS 16 HA HIS 16 0.520 -6.471 4.484 80 HB2 HIS 16 1HB HIS 16 0.332 -7.323 6.735 81 HB3 HIS 16 2HB HIS 16 1.632 -6.136 6.691 82 HD1 HIS 16 HD1 HIS 16 -0.340 -7.076 9.147 83 HD2 HIS 16 HD2 HIS 16 -0.273 -3.452 7.117 84 HE1 HIS 16 HE1 HIS 16 -1.377 -5.407 10.716 85 H GLU 17 H GLU 17 -1.530 -3.916 4.837 86 HA GLU 17 HA GLU 17 -3.922 -5.384 5.525 87 HB2 GLU 17 1HB GLU 17 -3.636 -2.570 4.458 88 HB3 GLU 17 2HB GLU 17 -5.083 -3.269 5.170 89 HG2 GLU 17 1HG GLU 17 -3.518 -3.659 7.228 90 HG3 GLU 17 2HG GLU 17 -2.566 -2.376 6.481 91 H CYS 18 H CYS 18 -2.688 -3.725 2.626 92 HA CYS 18 HA CYS 18 -4.560 -5.334 1.017 93 HB2 CYS 18 1HB CYS 18 -4.361 -3.546 -0.698 94 HB3 CYS 18 2HB CYS 18 -5.049 -2.970 0.817 95 H GLY 19 H GLY 19 -1.287 -3.966 1.108 96 HA2 GLY 19 1HA GLY 19 0.463 -5.695 0.570 97 HA3 GLY 19 2HA GLY 19 -0.484 -6.000 -0.879 98 H LYS 20 H LYS 20 -0.261 -2.745 0.217 99 HA LYS 20 HA LYS 20 0.983 -1.910 -2.208 100 HB2 LYS 20 1HB LYS 20 -0.665 -0.665 -0.537 101 HB3 LYS 20 2HB LYS 20 0.848 -0.097 0.156 102 HG2 LYS 20 1HG LYS 20 1.367 1.177 -1.658 103 HG3 LYS 20 2HG LYS 20 0.497 0.130 -2.782 104 HD2 LYS 20 1HD LYS 20 -1.552 1.091 -2.294 105 HD3 LYS 20 2HD LYS 20 -1.011 1.692 -0.725 106 HE2 LYS 20 1HE LYS 20 0.356 3.371 -1.799 107 HE3 LYS 20 2HE LYS 20 -0.045 2.724 -3.389 108 HZ1 LYS 20 3HZ LYS 20 -2.258 3.542 -1.665 109 HZ2 LYS 20 1HZ LYS 20 -2.105 3.639 -3.348 110 HZ3 LYS 20 2HZ LYS 20 -1.320 4.767 -2.361 111 H ALA 21 H ALA 21 2.846 -0.190 -1.946 112 HA ALA 21 HA ALA 21 4.870 -1.102 -0.046 113 HB1 ALA 21 3HB ALA 21 6.414 -0.871 -2.262 114 HB2 ALA 21 1HB ALA 21 5.783 -2.396 -1.638 115 HB3 ALA 21 2HB ALA 21 4.941 -1.561 -2.944 116 H PHE 22 H PHE 22 6.409 0.435 0.476 117 HA PHE 22 HA PHE 22 6.306 3.013 -0.900 118 HB2 PHE 22 1HB PHE 22 6.120 2.816 2.109 119 HB3 PHE 22 2HB PHE 22 6.004 4.270 1.122 120 HD1 PHE 22 HD2 PHE 22 4.315 1.015 1.735 121 HD2 PHE 22 HD1 PHE 22 3.930 5.061 0.472 122 HE1 PHE 22 HE2 PHE 22 1.870 0.750 1.645 123 HE2 PHE 22 HE1 PHE 22 1.485 4.803 0.380 124 HZ PHE 22 HZ PHE 22 0.452 2.646 0.966 125 H SER 23 H SER 23 8.143 4.364 -0.503 126 HA SER 23 HA SER 23 10.570 2.893 -0.283 127 HB2 SER 23 1HB SER 23 10.002 5.117 -1.591 128 HB3 SER 23 2HB SER 23 10.532 5.878 -0.092 129 HG SER 23 HG SER 23 12.500 5.482 -0.676 130 H ARG 24 H ARG 24 9.059 5.386 1.758 131 HA ARG 24 HA ARG 24 10.921 4.673 3.915 132 HB2 ARG 24 1HB ARG 24 9.060 7.017 4.044 133 HB3 ARG 24 2HB ARG 24 10.628 6.799 4.808 134 HG2 ARG 24 1HG ARG 24 11.465 6.787 2.311 135 HG3 ARG 24 2HG ARG 24 9.964 7.678 2.051 136 HD2 ARG 24 1HD ARG 24 11.633 9.304 2.446 137 HD3 ARG 24 2HD ARG 24 10.688 9.200 3.930 138 HE ARG 24 HE ARG 24 13.054 7.542 3.866 139 HH11 ARG 24 1HH1 ARG 24 11.685 10.624 4.727 140 HH12 ARG 24 2HH1 ARG 24 12.912 10.991 5.894 141 HH21 ARG 24 1HH2 ARG 24 14.676 8.012 5.399 142 HH22 ARG 24 2HH2 ARG 24 14.613 9.505 6.275 143 H LYS 25 H LYS 25 9.893 4.929 6.169 144 HA LYS 25 HA LYS 25 7.829 2.988 6.396 145 HB2 LYS 25 1HB LYS 25 9.518 3.170 8.118 146 HB3 LYS 25 2HB LYS 25 9.065 4.838 8.441 147 HG2 LYS 25 1HG LYS 25 7.986 3.807 10.154 148 HG3 LYS 25 2HG LYS 25 6.716 3.743 8.930 149 HD2 LYS 25 1HD LYS 25 7.603 1.460 8.310 150 HD3 LYS 25 2HD LYS 25 8.601 1.546 9.764 151 HE2 LYS 25 1HE LYS 25 5.596 1.800 9.718 152 HE3 LYS 25 2HE LYS 25 6.471 0.317 10.093 153 HZ1 LYS 25 3HZ LYS 25 7.593 1.685 11.894 154 HZ2 LYS 25 1HZ LYS 25 5.975 1.261 12.150 155 HZ3 LYS 25 2HZ LYS 25 6.370 2.828 11.649 156 H TYR 26 H TYR 26 7.925 6.479 7.093 157 HA TYR 26 HA TYR 26 5.281 6.790 7.891 158 HB2 TYR 26 1HB TYR 26 5.689 9.040 7.840 159 HB3 TYR 26 2HB TYR 26 7.350 8.467 7.743 160 HD1 TYR 26 HD1 TYR 26 8.489 8.396 5.509 161 HD2 TYR 26 HD2 TYR 26 4.717 10.281 6.073 162 HE1 TYR 26 HE1 TYR 26 8.795 9.624 3.400 163 HE2 TYR 26 HE2 TYR 26 5.012 11.514 3.965 164 HH TYR 26 HH TYR 26 7.287 10.713 1.669 165 H GLN 27 H GLN 27 6.690 6.819 4.653 166 HA GLN 27 HA GLN 27 4.535 7.704 3.170 167 HB2 GLN 27 1HB GLN 27 6.639 5.646 2.509 168 HB3 GLN 27 2HB GLN 27 5.474 6.235 1.331 169 HG2 GLN 27 1HG GLN 27 6.340 8.572 1.953 170 HG3 GLN 27 2HG GLN 27 7.701 7.713 2.674 171 HE21 GLN 27 1HE2 GLN 27 8.638 9.206 0.911 172 HE22 GLN 27 2HE2 GLN 27 8.900 8.461 -0.625 173 H LEU 28 H LEU 28 4.973 4.680 4.803 174 HA LEU 28 HA LEU 28 2.779 3.393 3.404 175 HB2 LEU 28 1HB LEU 28 4.405 1.844 3.911 176 HB3 LEU 28 2HB LEU 28 4.761 2.576 5.474 177 HG LEU 28 HG LEU 28 2.822 1.580 6.459 178 HD11 LEU 28 1HD1 LEU 28 2.024 1.219 3.654 179 HD12 LEU 28 2HD1 LEU 28 1.041 1.487 5.092 180 HD13 LEU 28 3HD1 LEU 28 1.647 -0.128 4.727 181 HD21 LEU 28 3HD2 LEU 28 3.455 -0.874 5.174 182 HD22 LEU 28 1HD2 LEU 28 3.995 -0.279 6.744 183 HD23 LEU 28 2HD2 LEU 28 4.931 0.085 5.294 184 H ILE 29 H ILE 29 3.497 4.522 6.697 185 HA ILE 29 HA ILE 29 1.146 3.830 7.959 186 HB ILE 29 HB ILE 29 3.019 6.137 8.357 187 HG12 ILE 29 1HG1 ILE 29 3.165 4.868 10.627 188 HG13 ILE 29 2HG1 ILE 29 2.376 3.558 9.756 189 HG21 ILE 29 1HG2 ILE 29 0.300 5.824 9.455 190 HG22 ILE 29 2HG2 ILE 29 1.562 6.243 10.612 191 HG23 ILE 29 3HG2 ILE 29 1.268 7.278 9.214 192 HD11 ILE 29 3HD1 ILE 29 4.803 4.806 8.578 193 HD12 ILE 29 1HD1 ILE 29 4.979 3.688 9.930 194 HD13 ILE 29 2HD1 ILE 29 4.200 3.155 8.441 195 H SER 30 H SER 30 1.843 6.839 6.192 196 HA SER 30 HA SER 30 -0.556 8.152 6.577 197 HB2 SER 30 1HB SER 30 1.485 9.073 5.431 198 HB3 SER 30 2HB SER 30 1.015 8.169 3.991 199 HG SER 30 HG SER 30 -0.548 10.151 5.293 200 H HIS 31 H HIS 31 0.211 5.532 4.381 201 HA HIS 31 HA HIS 31 -2.213 5.702 2.877 202 HB2 HIS 31 1HB HIS 31 -0.349 4.660 1.815 203 HB3 HIS 31 2HB HIS 31 -0.119 3.547 3.160 204 HD1 HIS 31 HD1 HIS 31 -2.446 4.203 0.265 205 HD2 HIS 31 HD2 HIS 31 -1.571 1.213 3.013 206 HE1 HIS 31 HE1 HIS 31 -3.725 2.182 -0.511 207 H GLN 32 H GLN 32 -1.068 3.529 5.452 208 HA GLN 32 HA GLN 32 -3.207 1.844 5.693 209 HB2 GLN 32 1HB GLN 32 -1.688 3.059 8.006 210 HB3 GLN 32 2HB GLN 32 -2.592 1.550 8.031 211 HG2 GLN 32 1HG GLN 32 -1.001 0.794 6.170 212 HG3 GLN 32 2HG GLN 32 -0.005 2.165 6.657 213 HE21 GLN 32 1HE2 GLN 32 -0.568 -1.054 7.120 214 HE22 GLN 32 2HE2 GLN 32 0.202 -1.258 8.652 215 H ARG 33 H ARG 33 -2.983 5.185 6.708 216 HA ARG 33 HA ARG 33 -5.038 5.473 8.475 217 HB2 ARG 33 1HB ARG 33 -4.524 7.343 6.156 218 HB3 ARG 33 2HB ARG 33 -5.292 7.750 7.685 219 HG2 ARG 33 1HG ARG 33 -2.428 6.891 7.329 220 HG3 ARG 33 2HG ARG 33 -2.992 8.542 7.597 221 HD2 ARG 33 1HD ARG 33 -4.062 7.635 9.733 222 HD3 ARG 33 2HD ARG 33 -3.060 6.206 9.484 223 HE ARG 33 HE ARG 33 -1.281 8.238 9.348 224 HH11 ARG 33 1HH1 ARG 33 -3.719 7.346 11.668 225 HH12 ARG 33 2HH1 ARG 33 -2.859 8.006 13.019 226 HH21 ARG 33 1HH2 ARG 33 -0.139 9.110 11.119 227 HH22 ARG 33 2HH2 ARG 33 -0.824 9.009 12.706 228 H THR 34 H THR 34 -5.283 5.111 4.974 229 HA THR 34 HA THR 34 -8.013 5.646 4.683 230 HB THR 34 HB THR 34 -7.907 4.517 2.568 231 HG1 THR 34 HG1 THR 34 -6.869 2.662 2.659 232 HG21 THR 34 3HG2 THR 34 -6.797 6.451 2.138 233 HG22 THR 34 1HG2 THR 34 -5.451 5.344 1.870 234 HG23 THR 34 2HG2 THR 34 -5.610 6.182 3.414 235 H HIS 35 H HIS 35 -6.315 2.684 5.557 236 HA HIS 35 HA HIS 35 -8.591 0.986 5.431 237 HB2 HIS 35 1HB HIS 35 -5.887 0.740 6.733 238 HB3 HIS 35 2HB HIS 35 -7.119 -0.504 6.929 239 HD1 HIS 35 HD1 HIS 35 -8.007 -1.548 4.565 240 HD2 HIS 35 HD2 HIS 35 -4.366 0.453 4.505 241 HE1 HIS 35 HE1 HIS 35 -6.862 -2.298 2.455 242 H ALA 36 H ALA 36 -6.988 2.722 8.073 243 HA ALA 36 HA ALA 36 -8.132 1.872 10.321 244 HB1 ALA 36 3HB ALA 36 -8.553 4.666 10.422 245 HB2 ALA 36 1HB ALA 36 -7.199 3.738 11.070 246 HB3 ALA 36 2HB ALA 36 -7.124 4.381 9.429 247 H GLY 37 H GLY 37 -10.093 1.626 11.219 248 HA2 GLY 37 1HA GLY 37 -12.372 3.090 10.090 249 HA3 GLY 37 2HA GLY 37 -12.434 1.333 10.099 250 H GLU 38 H GLU 38 -12.082 0.302 12.276 251 HA GLU 38 HA GLU 38 -12.859 1.957 14.539 252 HB2 GLU 38 1HB GLU 38 -14.618 -0.069 13.250 253 HB3 GLU 38 2HB GLU 38 -14.610 0.001 15.007 254 HG2 GLU 38 1HG GLU 38 -15.119 2.438 14.834 255 HG3 GLU 38 2HG GLU 38 -15.316 2.213 13.097 256 H LYS 39 H LYS 39 -12.383 1.044 16.547 257 HA LYS 39 HA LYS 39 -10.870 -1.483 16.455 258 HB2 LYS 39 1HB LYS 39 -10.174 1.155 17.638 259 HB3 LYS 39 2HB LYS 39 -9.705 -0.279 18.540 260 HG2 LYS 39 1HG LYS 39 -8.402 -1.087 16.701 261 HG3 LYS 39 2HG LYS 39 -8.993 0.207 15.657 262 HD2 LYS 39 1HD LYS 39 -7.984 1.777 17.462 263 HD3 LYS 39 2HD LYS 39 -7.068 0.349 17.946 264 HE2 LYS 39 1HE LYS 39 -5.885 0.275 15.971 265 HE3 LYS 39 2HE LYS 39 -7.132 1.135 15.069 266 HZ1 LYS 39 3HZ LYS 39 -5.991 2.717 17.167 267 HZ2 LYS 39 1HZ LYS 39 -6.195 3.084 15.528 268 HZ3 LYS 39 2HZ LYS 39 -4.835 2.218 16.037 269 HA PRO 40 HA PRO 40 -13.305 -3.011 19.768 270 HB2 PRO 40 1HB PRO 40 -11.482 -4.318 21.297 271 HB3 PRO 40 2HB PRO 40 -12.017 -4.913 19.722 272 HG2 PRO 40 1HG PRO 40 -9.531 -3.406 20.432 273 HG3 PRO 40 2HG PRO 40 -9.724 -4.801 19.354 274 HD2 PRO 40 1HD PRO 40 -9.504 -2.266 18.429 275 HD3 PRO 40 2HD PRO 40 -10.471 -3.504 17.602 276 H SER 41 H SER 41 -11.199 -0.513 20.222 277 HA SER 41 HA SER 41 -11.639 -0.348 23.119 278 HB2 SER 41 1HB SER 41 -9.331 -0.041 22.497 279 HB3 SER 41 2HB SER 41 -9.767 1.166 21.287 280 HG SER 41 HG SER 41 -9.130 2.304 23.050 281 H GLY 42 H GLY 42 -13.695 0.412 23.349 282 HA2 GLY 42 1HA GLY 42 -14.365 2.918 21.941 283 HA3 GLY 42 2HA GLY 42 -15.544 1.765 22.548 284 HA PRO 43 HA PRO 43 -15.017 5.272 25.595 285 HB2 PRO 43 1HB PRO 43 -17.647 5.939 25.693 286 HB3 PRO 43 2HB PRO 43 -16.525 6.627 24.514 287 HG2 PRO 43 1HG PRO 43 -18.491 4.395 24.180 288 HG3 PRO 43 2HG PRO 43 -18.125 5.737 23.080 289 HD2 PRO 43 1HD PRO 43 -17.125 3.246 22.722 290 HD3 PRO 43 2HD PRO 43 -16.235 4.709 22.253 291 H SER 44 H SER 44 -14.517 3.480 27.023 292 HA SER 44 HA SER 44 -16.774 2.847 28.769 293 HB2 SER 44 1HB SER 44 -14.925 0.797 27.537 294 HB3 SER 44 2HB SER 44 -15.926 0.468 28.952 295 HG SER 44 HG SER 44 -16.703 0.073 26.600 296 H SER 45 H SER 45 -16.273 3.115 30.847 297 HA SER 45 HA SER 45 -13.995 4.274 31.784 298 HB2 SER 45 1HB SER 45 -16.255 3.707 32.982 299 HB3 SER 45 2HB SER 45 -15.387 2.276 33.536 300 HG SER 45 HG SER 45 -13.706 3.983 34.126 301 H GLY 46 H GLY 46 -11.943 3.683 32.010 302 HA2 GLY 46 1HA GLY 46 -10.897 1.252 31.198 303 HA3 GLY 46 2HA GLY 46 -10.067 2.381 32.258 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -5.314 -14.483 -13.359 2 HA2 GLY 1 1HA GLY 1 -4.501 -17.076 -13.779 3 HA3 GLY 1 2HA GLY 1 -4.577 -16.364 -15.384 4 H SER 2 H SER 2 -2.218 -17.340 -14.184 5 HA SER 2 HA SER 2 -0.729 -14.874 -13.585 6 HB2 SER 2 1HB SER 2 -0.171 -17.771 -12.948 7 HB3 SER 2 2HB SER 2 1.060 -16.518 -12.792 8 HG SER 2 HG SER 2 -0.160 -16.972 -10.842 9 H SER 3 H SER 3 0.665 -14.098 -15.026 10 HA SER 3 HA SER 3 1.711 -15.895 -17.104 11 HB2 SER 3 1HB SER 3 1.437 -14.024 -18.753 12 HB3 SER 3 2HB SER 3 -0.087 -14.691 -18.169 13 HG SER 3 HG SER 3 0.398 -12.811 -16.499 14 H GLY 4 H GLY 4 3.082 -15.185 -14.796 15 HA2 GLY 4 1HA GLY 4 5.576 -14.629 -15.416 16 HA3 GLY 4 2HA GLY 4 4.894 -13.015 -15.557 17 H SER 5 H SER 5 6.513 -12.542 -13.875 18 HA SER 5 HA SER 5 5.507 -13.253 -11.197 19 HB2 SER 5 1HB SER 5 7.802 -12.965 -10.364 20 HB3 SER 5 2HB SER 5 7.739 -14.195 -11.626 21 HG SER 5 HG SER 5 8.892 -12.959 -12.905 22 H SER 6 H SER 6 6.018 -11.591 -9.512 23 HA SER 6 HA SER 6 4.905 -9.112 -10.226 24 HB2 SER 6 1HB SER 6 6.463 -9.933 -7.765 25 HB3 SER 6 2HB SER 6 5.610 -8.398 -7.926 26 HG SER 6 HG SER 6 3.823 -10.105 -8.571 27 H GLY 7 H GLY 7 8.249 -9.864 -9.219 28 HA2 GLY 7 1HA GLY 7 9.962 -8.909 -10.818 29 HA3 GLY 7 2HA GLY 7 9.097 -7.395 -10.599 30 H THR 8 H THR 8 10.829 -6.280 -9.742 31 HA THR 8 HA THR 8 11.491 -6.994 -6.976 32 HB THR 8 HB THR 8 13.863 -6.347 -7.355 33 HG1 THR 8 HG1 THR 8 12.933 -6.196 -10.025 34 HG21 THR 8 3HG2 THR 8 12.619 -8.720 -8.665 35 HG22 THR 8 1HG2 THR 8 13.686 -8.639 -7.263 36 HG23 THR 8 2HG2 THR 8 14.345 -8.435 -8.887 37 H GLY 9 H GLY 9 12.692 -5.125 -5.889 38 HA2 GLY 9 1HA GLY 9 12.725 -2.521 -6.786 39 HA3 GLY 9 2HA GLY 9 11.093 -2.775 -6.184 40 H GLU 10 H GLU 10 12.649 -0.865 -5.027 41 HA GLU 10 HA GLU 10 13.691 -2.062 -2.561 42 HB2 GLU 10 1HB GLU 10 14.156 0.511 -3.991 43 HB3 GLU 10 2HB GLU 10 14.334 0.498 -2.242 44 HG2 GLU 10 1HG GLU 10 15.953 -1.354 -2.456 45 HG3 GLU 10 2HG GLU 10 15.824 -1.223 -4.209 46 H ASN 11 H ASN 11 11.371 -2.520 -2.027 47 HA ASN 11 HA ASN 11 10.165 -0.174 -0.715 48 HB2 ASN 11 1HB ASN 11 7.992 -1.650 -1.013 49 HB3 ASN 11 2HB ASN 11 8.559 -0.602 -2.310 50 HD21 ASN 11 1HD2 ASN 11 8.857 -1.479 -4.232 51 HD22 ASN 11 2HD2 ASN 11 8.966 -3.171 -4.564 52 HA PRO 12 HA PRO 12 11.222 -3.315 2.512 53 HB2 PRO 12 1HB PRO 12 12.105 -1.488 4.315 54 HB3 PRO 12 2HB PRO 12 13.140 -2.173 3.057 55 HG2 PRO 12 1HG PRO 12 11.714 0.458 3.112 56 HG3 PRO 12 2HG PRO 12 13.365 0.091 2.578 57 HD2 PRO 12 1HD PRO 12 11.313 0.427 0.843 58 HD3 PRO 12 2HD PRO 12 12.663 -0.681 0.523 59 H TYR 13 H TYR 13 9.029 -0.796 2.115 60 HA TYR 13 HA TYR 13 7.642 -1.528 4.610 61 HB2 TYR 13 1HB TYR 13 7.498 1.156 3.225 62 HB3 TYR 13 2HB TYR 13 6.762 0.720 4.763 63 HD1 TYR 13 HD1 TYR 13 8.208 0.318 6.751 64 HD2 TYR 13 HD2 TYR 13 9.777 1.829 3.096 65 HE1 TYR 13 HE1 TYR 13 10.226 1.074 7.937 66 HE2 TYR 13 HE2 TYR 13 11.800 2.588 4.271 67 HH TYR 13 HH TYR 13 13.032 2.175 6.272 68 H GLU 14 H GLU 14 6.074 -2.885 4.002 69 HA GLU 14 HA GLU 14 4.376 -2.093 1.727 70 HB2 GLU 14 1HB GLU 14 5.506 -4.726 2.511 71 HB3 GLU 14 2HB GLU 14 3.865 -4.720 1.881 72 HG2 GLU 14 1HG GLU 14 4.515 -4.111 -0.210 73 HG3 GLU 14 2HG GLU 14 5.928 -3.228 0.365 74 H CYS 15 H CYS 15 2.163 -2.242 1.958 75 HA CYS 15 HA CYS 15 1.165 -2.030 4.629 76 HB2 CYS 15 1HB CYS 15 0.251 -0.718 2.731 77 HB3 CYS 15 2HB CYS 15 -0.369 -2.207 2.027 78 H HIS 16 H HIS 16 0.533 -3.625 5.910 79 HA HIS 16 HA HIS 16 0.272 -6.313 4.871 80 HB2 HIS 16 1HB HIS 16 0.013 -6.947 7.254 81 HB3 HIS 16 2HB HIS 16 1.470 -6.002 6.960 82 HD1 HIS 16 HD1 HIS 16 1.851 -4.323 8.718 83 HD2 HIS 16 HD2 HIS 16 -2.202 -5.007 8.109 84 HE1 HIS 16 HE1 HIS 16 0.663 -2.839 10.364 85 H GLU 17 H GLU 17 -1.723 -4.386 4.045 86 HA GLU 17 HA GLU 17 -4.110 -5.706 5.154 87 HB2 GLU 17 1HB GLU 17 -3.943 -2.816 4.284 88 HB3 GLU 17 2HB GLU 17 -5.354 -3.628 4.948 89 HG2 GLU 17 1HG GLU 17 -3.923 -4.045 7.018 90 HG3 GLU 17 2HG GLU 17 -2.819 -2.850 6.341 91 H CYS 18 H CYS 18 -2.920 -3.768 2.411 92 HA CYS 18 HA CYS 18 -4.721 -5.297 0.654 93 HB2 CYS 18 1HB CYS 18 -4.540 -3.427 -0.923 94 HB3 CYS 18 2HB CYS 18 -5.125 -2.877 0.644 95 H GLY 19 H GLY 19 -1.439 -3.965 0.898 96 HA2 GLY 19 1HA GLY 19 0.327 -5.648 0.316 97 HA3 GLY 19 2HA GLY 19 -0.602 -5.923 -1.151 98 H LYS 20 H LYS 20 -0.252 -2.723 0.169 99 HA LYS 20 HA LYS 20 0.962 -1.802 -2.267 100 HB2 LYS 20 1HB LYS 20 -0.717 -0.607 -0.597 101 HB3 LYS 20 2HB LYS 20 0.779 -0.067 0.154 102 HG2 LYS 20 1HG LYS 20 1.331 1.283 -1.588 103 HG3 LYS 20 2HG LYS 20 0.525 0.262 -2.781 104 HD2 LYS 20 1HD LYS 20 -1.624 1.058 -1.429 105 HD3 LYS 20 2HD LYS 20 -0.571 2.430 -1.073 106 HE2 LYS 20 1HE LYS 20 -1.928 2.841 -3.062 107 HE3 LYS 20 2HE LYS 20 -0.211 2.784 -3.458 108 HZ1 LYS 20 3HZ LYS 20 -2.330 1.155 -4.425 109 HZ2 LYS 20 1HZ LYS 20 -1.110 0.203 -3.741 110 HZ3 LYS 20 2HZ LYS 20 -0.740 1.286 -4.986 111 H ALA 21 H ALA 21 2.843 -0.158 -2.006 112 HA ALA 21 HA ALA 21 4.824 -1.072 -0.057 113 HB1 ALA 21 3HB ALA 21 6.420 -0.879 -2.224 114 HB2 ALA 21 1HB ALA 21 5.721 -2.391 -1.645 115 HB3 ALA 21 2HB ALA 21 4.950 -1.510 -2.964 116 H PHE 22 H PHE 22 6.384 0.448 0.472 117 HA PHE 22 HA PHE 22 6.313 3.027 -0.905 118 HB2 PHE 22 1HB PHE 22 6.111 2.836 2.103 119 HB3 PHE 22 2HB PHE 22 6.004 4.287 1.111 120 HD1 PHE 22 HD2 PHE 22 4.300 1.035 1.708 121 HD2 PHE 22 HD1 PHE 22 3.935 5.092 0.472 122 HE1 PHE 22 HE2 PHE 22 1.855 0.782 1.610 123 HE2 PHE 22 HE1 PHE 22 1.489 4.845 0.374 124 HZ PHE 22 HZ PHE 22 0.446 2.688 0.942 125 H SER 23 H SER 23 8.145 4.397 -0.410 126 HA SER 23 HA SER 23 10.564 2.891 -0.200 127 HB2 SER 23 1HB SER 23 10.245 5.900 -0.186 128 HB3 SER 23 2HB SER 23 11.699 4.989 -0.593 129 HG SER 23 HG SER 23 9.356 5.373 -2.073 130 H ARG 24 H ARG 24 9.059 5.410 1.816 131 HA ARG 24 HA ARG 24 10.879 4.667 4.000 132 HB2 ARG 24 1HB ARG 24 9.082 7.069 4.052 133 HB3 ARG 24 2HB ARG 24 10.602 6.806 4.896 134 HG2 ARG 24 1HG ARG 24 11.610 6.768 2.495 135 HG3 ARG 24 2HG ARG 24 10.122 7.615 2.068 136 HD2 ARG 24 1HD ARG 24 10.688 9.486 3.241 137 HD3 ARG 24 2HD ARG 24 11.626 8.587 4.433 138 HE ARG 24 HE ARG 24 12.569 9.660 1.915 139 HH11 ARG 24 1HH1 ARG 24 13.160 7.476 4.562 140 HH12 ARG 24 2HH1 ARG 24 14.871 7.407 4.294 141 HH21 ARG 24 1HH2 ARG 24 14.819 9.577 1.552 142 HH22 ARG 24 2HH2 ARG 24 15.813 8.603 2.582 143 H LYS 25 H LYS 25 9.902 4.799 6.224 144 HA LYS 25 HA LYS 25 7.773 2.968 6.441 145 HB2 LYS 25 1HB LYS 25 9.388 3.098 8.206 146 HB3 LYS 25 2HB LYS 25 9.058 4.806 8.462 147 HG2 LYS 25 1HG LYS 25 8.031 3.597 10.229 148 HG3 LYS 25 2HG LYS 25 6.747 4.177 9.165 149 HD2 LYS 25 1HD LYS 25 6.282 2.067 8.356 150 HD3 LYS 25 2HD LYS 25 7.896 1.456 8.726 151 HE2 LYS 25 1HE LYS 25 7.406 1.195 10.992 152 HE3 LYS 25 2HE LYS 25 6.016 2.277 10.912 153 HZ1 LYS 25 3HZ LYS 25 6.211 -0.548 10.235 154 HZ2 LYS 25 1HZ LYS 25 5.227 0.396 9.233 155 HZ3 LYS 25 2HZ LYS 25 4.918 0.322 10.894 156 H TYR 26 H TYR 26 7.895 6.456 7.163 157 HA TYR 26 HA TYR 26 5.250 6.815 7.897 158 HB2 TYR 26 1HB TYR 26 5.701 9.050 7.844 159 HB3 TYR 26 2HB TYR 26 7.356 8.464 7.714 160 HD1 TYR 26 HD1 TYR 26 8.430 8.347 5.440 161 HD2 TYR 26 HD2 TYR 26 4.719 10.318 6.110 162 HE1 TYR 26 HE1 TYR 26 8.700 9.564 3.319 163 HE2 TYR 26 HE2 TYR 26 4.979 11.539 3.991 164 HH TYR 26 HH TYR 26 6.145 11.612 2.038 165 H GLN 27 H GLN 27 6.693 6.837 4.667 166 HA GLN 27 HA GLN 27 4.556 7.702 3.158 167 HB2 GLN 27 1HB GLN 27 6.653 5.624 2.535 168 HB3 GLN 27 2HB GLN 27 5.505 6.215 1.341 169 HG2 GLN 27 1HG GLN 27 6.416 8.557 2.083 170 HG3 GLN 27 2HG GLN 27 7.802 7.607 2.617 171 HE21 GLN 27 1HE2 GLN 27 8.745 9.096 0.927 172 HE22 GLN 27 2HE2 GLN 27 8.801 8.493 -0.691 173 H LEU 28 H LEU 28 4.979 4.673 4.798 174 HA LEU 28 HA LEU 28 2.772 3.405 3.402 175 HB2 LEU 28 1HB LEU 28 4.413 1.859 3.899 176 HB3 LEU 28 2HB LEU 28 4.741 2.563 5.481 177 HG LEU 28 HG LEU 28 2.820 1.532 6.430 178 HD11 LEU 28 1HD1 LEU 28 1.955 1.379 3.647 179 HD12 LEU 28 2HD1 LEU 28 1.005 1.451 5.131 180 HD13 LEU 28 3HD1 LEU 28 1.646 -0.093 4.569 181 HD21 LEU 28 3HD2 LEU 28 3.901 -0.396 6.618 182 HD22 LEU 28 1HD2 LEU 28 4.911 0.071 5.250 183 HD23 LEU 28 2HD2 LEU 28 3.437 -0.860 4.981 184 H ILE 29 H ILE 29 3.507 4.572 6.673 185 HA ILE 29 HA ILE 29 1.162 3.871 7.957 186 HB ILE 29 HB ILE 29 3.019 6.199 8.339 187 HG12 ILE 29 1HG1 ILE 29 3.305 4.930 10.564 188 HG13 ILE 29 2HG1 ILE 29 2.436 3.617 9.776 189 HG21 ILE 29 1HG2 ILE 29 1.559 6.168 10.634 190 HG22 ILE 29 2HG2 ILE 29 1.328 7.307 9.308 191 HG23 ILE 29 3HG2 ILE 29 0.317 5.866 9.419 192 HD11 ILE 29 3HD1 ILE 29 4.138 3.306 8.191 193 HD12 ILE 29 1HD1 ILE 29 4.905 4.842 8.596 194 HD13 ILE 29 2HD1 ILE 29 4.957 3.500 9.740 195 H SER 30 H SER 30 1.856 6.845 6.136 196 HA SER 30 HA SER 30 -0.541 8.173 6.542 197 HB2 SER 30 1HB SER 30 1.615 8.925 5.294 198 HB3 SER 30 2HB SER 30 0.828 8.250 3.867 199 HG SER 30 HG SER 30 -0.686 9.954 5.463 200 H HIS 31 H HIS 31 0.203 5.507 4.413 201 HA HIS 31 HA HIS 31 -2.222 5.688 2.893 202 HB2 HIS 31 1HB HIS 31 -0.373 4.647 1.813 203 HB3 HIS 31 2HB HIS 31 -0.110 3.550 3.165 204 HD1 HIS 31 HD1 HIS 31 -2.485 4.150 0.297 205 HD2 HIS 31 HD2 HIS 31 -1.539 1.199 3.065 206 HE1 HIS 31 HE1 HIS 31 -3.752 2.107 -0.440 207 H GLN 32 H GLN 32 -1.064 3.592 5.519 208 HA GLN 32 HA GLN 32 -3.197 1.877 5.761 209 HB2 GLN 32 1HB GLN 32 -1.638 3.107 8.040 210 HB3 GLN 32 2HB GLN 32 -2.573 1.620 8.112 211 HG2 GLN 32 1HG GLN 32 -1.022 0.819 6.216 212 HG3 GLN 32 2HG GLN 32 0.017 2.150 6.721 213 HE21 GLN 32 1HE2 GLN 32 -0.383 -1.030 7.030 214 HE22 GLN 32 2HE2 GLN 32 0.269 -1.284 8.609 215 H ARG 33 H ARG 33 -3.010 5.239 6.639 216 HA ARG 33 HA ARG 33 -5.060 5.517 8.453 217 HB2 ARG 33 1HB ARG 33 -4.513 7.404 6.157 218 HB3 ARG 33 2HB ARG 33 -5.286 7.802 7.685 219 HG2 ARG 33 1HG ARG 33 -2.439 6.865 7.401 220 HG3 ARG 33 2HG ARG 33 -2.939 8.552 7.542 221 HD2 ARG 33 1HD ARG 33 -3.865 6.609 9.599 222 HD3 ARG 33 2HD ARG 33 -2.190 7.157 9.651 223 HE ARG 33 HE ARG 33 -3.517 9.474 9.474 224 HH11 ARG 33 1HH1 ARG 33 -3.983 6.691 11.514 225 HH12 ARG 33 2HH1 ARG 33 -4.636 7.605 12.833 226 HH21 ARG 33 1HH2 ARG 33 -4.374 10.688 11.204 227 HH22 ARG 33 2HH2 ARG 33 -4.858 9.878 12.656 228 H THR 34 H THR 34 -5.248 4.969 5.001 229 HA THR 34 HA THR 34 -7.985 5.591 4.661 230 HB THR 34 HB THR 34 -7.851 4.523 2.536 231 HG1 THR 34 HG1 THR 34 -6.918 2.552 3.105 232 HG21 THR 34 3HG2 THR 34 -5.365 5.245 1.875 233 HG22 THR 34 1HG2 THR 34 -5.471 6.042 3.444 234 HG23 THR 34 2HG2 THR 34 -6.643 6.421 2.181 235 H HIS 35 H HIS 35 -6.288 2.638 5.561 236 HA HIS 35 HA HIS 35 -8.593 0.958 5.425 237 HB2 HIS 35 1HB HIS 35 -5.866 0.636 6.668 238 HB3 HIS 35 2HB HIS 35 -7.112 -0.599 6.819 239 HD1 HIS 35 HD1 HIS 35 -8.068 -1.452 4.375 240 HD2 HIS 35 HD2 HIS 35 -4.327 0.352 4.462 241 HE1 HIS 35 HE1 HIS 35 -6.940 -2.141 2.236 242 H ALA 36 H ALA 36 -6.947 2.722 8.004 243 HA ALA 36 HA ALA 36 -8.122 1.761 10.261 244 HB1 ALA 36 3HB ALA 36 -6.798 4.159 9.515 245 HB2 ALA 36 1HB ALA 36 -8.199 4.585 10.497 246 HB3 ALA 36 2HB ALA 36 -6.991 3.462 11.123 247 H GLY 37 H GLY 37 -10.194 1.203 10.517 248 HA2 GLY 37 1HA GLY 37 -12.228 3.226 10.495 249 HA3 GLY 37 2HA GLY 37 -12.407 2.088 9.168 250 H GLU 38 H GLU 38 -12.456 -0.246 9.788 251 HA GLU 38 HA GLU 38 -14.516 -0.752 11.586 252 HB2 GLU 38 1HB GLU 38 -13.829 -3.146 11.396 253 HB3 GLU 38 2HB GLU 38 -14.024 -2.332 9.850 254 HG2 GLU 38 1HG GLU 38 -11.445 -1.916 10.111 255 HG3 GLU 38 2HG GLU 38 -11.556 -3.313 11.180 256 H LYS 39 H LYS 39 -14.271 -0.011 13.638 257 HA LYS 39 HA LYS 39 -12.080 -1.199 15.213 258 HB2 LYS 39 1HB LYS 39 -13.356 1.517 15.592 259 HB3 LYS 39 2HB LYS 39 -12.133 0.812 16.642 260 HG2 LYS 39 1HG LYS 39 -11.603 1.194 13.723 261 HG3 LYS 39 2HG LYS 39 -11.415 2.527 14.863 262 HD2 LYS 39 1HD LYS 39 -9.675 1.480 15.994 263 HD3 LYS 39 2HD LYS 39 -10.122 -0.120 15.398 264 HE2 LYS 39 1HE LYS 39 -8.222 0.389 14.163 265 HE3 LYS 39 2HE LYS 39 -9.536 0.830 13.073 266 HZ1 LYS 39 3HZ LYS 39 -7.489 2.466 14.155 267 HZ2 LYS 39 1HZ LYS 39 -9.009 3.083 14.572 268 HZ3 LYS 39 2HZ LYS 39 -8.617 2.827 12.947 269 HA PRO 40 HA PRO 40 -15.159 -2.961 17.807 270 HB2 PRO 40 1HB PRO 40 -13.786 -3.112 20.145 271 HB3 PRO 40 2HB PRO 40 -13.461 -4.173 18.769 272 HG2 PRO 40 1HG PRO 40 -12.013 -1.701 19.639 273 HG3 PRO 40 2HG PRO 40 -11.350 -3.246 19.075 274 HD2 PRO 40 1HD PRO 40 -11.538 -1.070 17.475 275 HD3 PRO 40 2HD PRO 40 -11.693 -2.727 16.856 276 H SER 41 H SER 41 -16.141 -2.641 20.070 277 HA SER 41 HA SER 41 -17.288 -0.102 20.222 278 HB2 SER 41 1HB SER 41 -18.157 -0.831 22.427 279 HB3 SER 41 2HB SER 41 -18.368 -2.066 21.186 280 HG SER 41 HG SER 41 -16.079 -2.638 22.170 281 H GLY 42 H GLY 42 -17.016 1.632 21.649 282 HA2 GLY 42 1HA GLY 42 -15.887 2.629 23.553 283 HA3 GLY 42 2HA GLY 42 -14.483 1.646 23.163 284 HA PRO 43 HA PRO 43 -14.817 5.375 20.040 285 HB2 PRO 43 1HB PRO 43 -16.044 7.554 21.098 286 HB3 PRO 43 2HB PRO 43 -16.904 6.328 20.159 287 HG2 PRO 43 1HG PRO 43 -16.727 6.661 23.129 288 HG3 PRO 43 2HG PRO 43 -18.139 6.270 22.129 289 HD2 PRO 43 1HD PRO 43 -16.766 4.388 23.508 290 HD3 PRO 43 2HD PRO 43 -17.560 4.046 21.958 291 H SER 44 H SER 44 -12.610 5.404 20.537 292 HA SER 44 HA SER 44 -11.811 7.554 22.374 293 HB2 SER 44 1HB SER 44 -9.781 6.129 22.938 294 HB3 SER 44 2HB SER 44 -11.315 5.582 23.614 295 HG SER 44 HG SER 44 -10.501 4.592 21.123 296 H SER 45 H SER 45 -12.160 7.774 19.597 297 HA SER 45 HA SER 45 -9.667 7.459 18.232 298 HB2 SER 45 1HB SER 45 -12.022 9.191 17.448 299 HB3 SER 45 2HB SER 45 -10.738 8.611 16.388 300 HG SER 45 HG SER 45 -12.572 7.307 16.181 301 H GLY 46 H GLY 46 -7.957 8.761 18.249 302 HA2 GLY 46 1HA GLY 46 -7.938 11.129 19.853 303 HA3 GLY 46 2HA GLY 46 -6.604 10.515 18.888 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -11.005 -15.260 -10.338 2 HA2 GLY 1 1HA GLY 1 -9.230 -16.293 -11.557 3 HA3 GLY 1 2HA GLY 1 -9.572 -15.217 -12.903 4 H SER 2 H SER 2 -7.264 -15.882 -10.806 5 HA SER 2 HA SER 2 -6.189 -13.180 -10.906 6 HB2 SER 2 1HB SER 2 -5.723 -13.002 -8.574 7 HB3 SER 2 2HB SER 2 -7.421 -13.459 -8.701 8 HG SER 2 HG SER 2 -5.833 -14.650 -7.202 9 H SER 3 H SER 3 -3.890 -13.097 -10.485 10 HA SER 3 HA SER 3 -2.353 -15.456 -10.090 11 HB2 SER 3 1HB SER 3 -3.245 -15.636 -12.514 12 HB3 SER 3 2HB SER 3 -2.097 -14.347 -12.876 13 HG SER 3 HG SER 3 -0.793 -15.997 -13.114 14 H GLY 4 H GLY 4 -0.158 -15.021 -9.809 15 HA2 GLY 4 1HA GLY 4 1.746 -13.539 -10.136 16 HA3 GLY 4 2HA GLY 4 0.623 -12.188 -10.090 17 H SER 5 H SER 5 0.921 -11.028 -8.317 18 HA SER 5 HA SER 5 1.143 -10.450 -6.126 19 HB2 SER 5 1HB SER 5 0.510 -13.339 -5.488 20 HB3 SER 5 2HB SER 5 0.345 -11.950 -4.413 21 HG SER 5 HG SER 5 -1.119 -12.413 -6.802 22 H SER 6 H SER 6 3.440 -11.037 -7.538 23 HA SER 6 HA SER 6 5.291 -11.496 -5.430 24 HB2 SER 6 1HB SER 6 6.318 -13.538 -6.172 25 HB3 SER 6 2HB SER 6 4.591 -13.850 -5.993 26 HG SER 6 HG SER 6 4.374 -13.641 -8.235 27 H GLY 7 H GLY 7 7.369 -10.835 -5.959 28 HA2 GLY 7 1HA GLY 7 8.559 -10.585 -8.411 29 HA3 GLY 7 2HA GLY 7 7.561 -9.146 -8.270 30 H THR 8 H THR 8 9.717 -8.106 -8.456 31 HA THR 8 HA THR 8 11.060 -7.987 -5.834 32 HB THR 8 HB THR 8 13.085 -7.230 -7.023 33 HG1 THR 8 HG1 THR 8 11.537 -7.790 -9.353 34 HG21 THR 8 3HG2 THR 8 12.938 -9.590 -8.544 35 HG22 THR 8 1HG2 THR 8 11.923 -9.856 -7.127 36 HG23 THR 8 2HG2 THR 8 13.613 -9.393 -6.926 37 H GLY 9 H GLY 9 10.523 -6.202 -4.764 38 HA2 GLY 9 1HA GLY 9 10.320 -3.683 -6.292 39 HA3 GLY 9 2HA GLY 9 9.156 -4.091 -5.041 40 H GLU 10 H GLU 10 11.527 -2.060 -5.561 41 HA GLU 10 HA GLU 10 13.181 -2.444 -3.246 42 HB2 GLU 10 1HB GLU 10 13.791 -1.238 -5.440 43 HB3 GLU 10 2HB GLU 10 12.911 0.132 -4.777 44 HG2 GLU 10 1HG GLU 10 15.239 0.419 -4.329 45 HG3 GLU 10 2HG GLU 10 14.406 0.092 -2.810 46 H ASN 11 H ASN 11 10.809 -2.607 -2.163 47 HA ASN 11 HA ASN 11 10.488 -0.057 -0.742 48 HB2 ASN 11 1HB ASN 11 8.173 -1.812 -1.583 49 HB3 ASN 11 2HB ASN 11 8.079 -0.257 -0.762 50 HD21 ASN 11 1HD2 ASN 11 9.086 -1.826 -3.748 51 HD22 ASN 11 2HD2 ASN 11 8.843 -0.451 -4.766 52 HA PRO 12 HA PRO 12 11.203 -3.254 2.405 53 HB2 PRO 12 1HB PRO 12 12.126 -1.504 4.265 54 HB3 PRO 12 2HB PRO 12 13.140 -2.157 2.973 55 HG2 PRO 12 1HG PRO 12 11.749 0.489 3.136 56 HG3 PRO 12 2HG PRO 12 13.390 0.121 2.574 57 HD2 PRO 12 1HD PRO 12 11.328 0.545 0.872 58 HD3 PRO 12 2HD PRO 12 12.660 -0.568 0.499 59 H TYR 13 H TYR 13 9.020 -0.726 2.100 60 HA TYR 13 HA TYR 13 7.669 -1.495 4.604 61 HB2 TYR 13 1HB TYR 13 7.478 1.198 3.244 62 HB3 TYR 13 2HB TYR 13 6.784 0.744 4.796 63 HD1 TYR 13 HD1 TYR 13 8.263 0.379 6.753 64 HD2 TYR 13 HD2 TYR 13 9.766 1.854 3.056 65 HE1 TYR 13 HE1 TYR 13 10.302 1.144 7.895 66 HE2 TYR 13 HE2 TYR 13 11.810 2.623 4.187 67 HH TYR 13 HH TYR 13 12.238 3.293 6.957 68 H GLU 14 H GLU 14 6.167 -2.917 3.935 69 HA GLU 14 HA GLU 14 4.411 -2.100 1.713 70 HB2 GLU 14 1HB GLU 14 5.564 -4.730 2.476 71 HB3 GLU 14 2HB GLU 14 3.921 -4.729 1.851 72 HG2 GLU 14 1HG GLU 14 4.562 -4.099 -0.238 73 HG3 GLU 14 2HG GLU 14 5.976 -3.219 0.339 74 H CYS 15 H CYS 15 2.194 -2.321 1.950 75 HA CYS 15 HA CYS 15 1.223 -2.125 4.641 76 HB2 CYS 15 1HB CYS 15 0.290 -0.788 2.767 77 HB3 CYS 15 2HB CYS 15 -0.339 -2.271 2.054 78 H HIS 16 H HIS 16 0.527 -3.716 5.899 79 HA HIS 16 HA HIS 16 0.325 -6.404 4.843 80 HB2 HIS 16 1HB HIS 16 -0.018 -7.037 7.227 81 HB3 HIS 16 2HB HIS 16 1.460 -6.119 6.959 82 HD1 HIS 16 HD1 HIS 16 1.832 -4.479 8.755 83 HD2 HIS 16 HD2 HIS 16 -2.216 -5.013 7.985 84 HE1 HIS 16 HE1 HIS 16 0.636 -2.955 10.358 85 H GLU 17 H GLU 17 -1.686 -4.300 4.163 86 HA GLU 17 HA GLU 17 -4.083 -5.715 5.133 87 HB2 GLU 17 1HB GLU 17 -3.881 -2.810 4.319 88 HB3 GLU 17 2HB GLU 17 -5.326 -3.626 4.899 89 HG2 GLU 17 1HG GLU 17 -3.973 -4.106 7.017 90 HG3 GLU 17 2HG GLU 17 -2.858 -2.879 6.419 91 H CYS 18 H CYS 18 -2.923 -3.677 2.445 92 HA CYS 18 HA CYS 18 -4.685 -5.181 0.636 93 HB2 CYS 18 1HB CYS 18 -4.438 -3.310 -0.916 94 HB3 CYS 18 2HB CYS 18 -4.995 -2.738 0.653 95 H GLY 19 H GLY 19 -1.364 -3.979 0.972 96 HA2 GLY 19 1HA GLY 19 0.374 -5.671 0.410 97 HA3 GLY 19 2HA GLY 19 -0.551 -5.973 -1.053 98 H LYS 20 H LYS 20 -0.247 -2.727 0.108 99 HA LYS 20 HA LYS 20 1.055 -1.923 -2.321 100 HB2 LYS 20 1HB LYS 20 -0.694 -0.652 -0.806 101 HB3 LYS 20 2HB LYS 20 0.753 -0.086 0.018 102 HG2 LYS 20 1HG LYS 20 1.508 1.081 -1.838 103 HG3 LYS 20 2HG LYS 20 0.504 0.152 -2.953 104 HD2 LYS 20 1HD LYS 20 -0.664 1.959 -0.850 105 HD3 LYS 20 2HD LYS 20 -0.233 2.536 -2.462 106 HE2 LYS 20 1HE LYS 20 -1.948 0.111 -2.198 107 HE3 LYS 20 2HE LYS 20 -2.666 1.699 -1.929 108 HZ1 LYS 20 3HZ LYS 20 -1.792 2.352 -4.136 109 HZ2 LYS 20 1HZ LYS 20 -2.942 1.114 -4.209 110 HZ3 LYS 20 2HZ LYS 20 -1.300 0.754 -4.388 111 H ALA 21 H ALA 21 2.918 -0.259 -2.083 112 HA ALA 21 HA ALA 21 4.841 -1.094 -0.036 113 HB1 ALA 21 3HB ALA 21 4.994 -1.758 -2.843 114 HB2 ALA 21 1HB ALA 21 6.389 -0.807 -2.329 115 HB3 ALA 21 2HB ALA 21 5.992 -2.311 -1.498 116 H PHE 22 H PHE 22 6.391 0.449 0.494 117 HA PHE 22 HA PHE 22 6.278 3.024 -0.893 118 HB2 PHE 22 1HB PHE 22 6.075 2.815 2.115 119 HB3 PHE 22 2HB PHE 22 5.975 4.276 1.138 120 HD1 PHE 22 HD2 PHE 22 4.266 1.022 1.703 121 HD2 PHE 22 HD1 PHE 22 3.911 5.083 0.479 122 HE1 PHE 22 HE2 PHE 22 1.822 0.769 1.586 123 HE2 PHE 22 HE1 PHE 22 1.466 4.837 0.361 124 HZ PHE 22 HZ PHE 22 0.418 2.678 0.913 125 H SER 23 H SER 23 8.098 4.402 -0.467 126 HA SER 23 HA SER 23 10.541 2.955 -0.265 127 HB2 SER 23 1HB SER 23 10.102 5.951 -0.240 128 HB3 SER 23 2HB SER 23 11.626 5.125 -0.564 129 HG SER 23 HG SER 23 9.760 5.773 -2.296 130 H ARG 24 H ARG 24 9.041 5.440 1.800 131 HA ARG 24 HA ARG 24 10.873 4.663 3.961 132 HB2 ARG 24 1HB ARG 24 9.082 7.061 4.091 133 HB3 ARG 24 2HB ARG 24 10.635 6.790 4.871 134 HG2 ARG 24 1HG ARG 24 11.491 6.766 2.376 135 HG3 ARG 24 2HG ARG 24 10.028 7.718 2.119 136 HD2 ARG 24 1HD ARG 24 11.784 9.257 2.541 137 HD3 ARG 24 2HD ARG 24 10.791 9.203 3.997 138 HE ARG 24 HE ARG 24 13.032 7.403 4.053 139 HH11 ARG 24 1HH1 ARG 24 11.944 10.648 4.688 140 HH12 ARG 24 2HH1 ARG 24 13.189 10.978 5.847 141 HH21 ARG 24 1HH2 ARG 24 14.676 7.825 5.577 142 HH22 ARG 24 2HH2 ARG 24 14.743 9.372 6.352 143 H LYS 25 H LYS 25 9.883 4.834 6.202 144 HA LYS 25 HA LYS 25 7.760 2.981 6.410 145 HB2 LYS 25 1HB LYS 25 9.437 3.141 8.149 146 HB3 LYS 25 2HB LYS 25 8.996 4.813 8.472 147 HG2 LYS 25 1HG LYS 25 8.060 3.454 10.187 148 HG3 LYS 25 2HG LYS 25 6.740 4.016 9.159 149 HD2 LYS 25 1HD LYS 25 6.401 1.926 8.229 150 HD3 LYS 25 2HD LYS 25 8.038 1.382 8.601 151 HE2 LYS 25 1HE LYS 25 7.297 1.613 11.068 152 HE3 LYS 25 2HE LYS 25 5.661 1.606 10.411 153 HZ1 LYS 25 3HZ LYS 25 7.301 -0.495 9.352 154 HZ2 LYS 25 1HZ LYS 25 5.757 -0.573 10.041 155 HZ3 LYS 25 2HZ LYS 25 7.127 -0.592 11.032 156 H TYR 26 H TYR 26 7.905 6.468 7.119 157 HA TYR 26 HA TYR 26 5.264 6.830 7.889 158 HB2 TYR 26 1HB TYR 26 5.703 9.075 7.815 159 HB3 TYR 26 2HB TYR 26 7.356 8.473 7.744 160 HD1 TYR 26 HD1 TYR 26 8.567 8.442 5.580 161 HD2 TYR 26 HD2 TYR 26 4.725 10.230 5.969 162 HE1 TYR 26 HE1 TYR 26 8.917 9.643 3.462 163 HE2 TYR 26 HE2 TYR 26 5.065 11.434 3.851 164 HH TYR 26 HH TYR 26 6.945 10.722 1.611 165 H GLN 27 H GLN 27 6.684 6.781 4.660 166 HA GLN 27 HA GLN 27 4.539 7.693 3.165 167 HB2 GLN 27 1HB GLN 27 6.617 5.605 2.506 168 HB3 GLN 27 2HB GLN 27 5.477 6.240 1.327 169 HG2 GLN 27 1HG GLN 27 6.403 8.547 2.022 170 HG3 GLN 27 2HG GLN 27 7.747 7.623 2.690 171 HE21 GLN 27 1HE2 GLN 27 8.920 8.935 1.074 172 HE22 GLN 27 2HE2 GLN 27 9.050 8.315 -0.533 173 H LEU 28 H LEU 28 4.972 4.659 4.789 174 HA LEU 28 HA LEU 28 2.758 3.395 3.399 175 HB2 LEU 28 1HB LEU 28 4.379 1.832 3.874 176 HB3 LEU 28 2HB LEU 28 4.758 2.547 5.440 177 HG LEU 28 HG LEU 28 2.787 1.572 6.419 178 HD11 LEU 28 1HD1 LEU 28 1.036 1.436 5.016 179 HD12 LEU 28 2HD1 LEU 28 1.667 -0.179 4.696 180 HD13 LEU 28 3HD1 LEU 28 2.053 1.150 3.603 181 HD21 LEU 28 3HD2 LEU 28 3.416 -0.913 5.295 182 HD22 LEU 28 1HD2 LEU 28 4.087 -0.195 6.759 183 HD23 LEU 28 2HD2 LEU 28 4.897 0.041 5.210 184 H ILE 29 H ILE 29 3.508 4.588 6.653 185 HA ILE 29 HA ILE 29 1.183 3.866 7.966 186 HB ILE 29 HB ILE 29 3.029 6.205 8.316 187 HG12 ILE 29 1HG1 ILE 29 3.364 4.979 10.536 188 HG13 ILE 29 2HG1 ILE 29 2.432 3.664 9.828 189 HG21 ILE 29 1HG2 ILE 29 1.280 7.307 9.220 190 HG22 ILE 29 2HG2 ILE 29 0.343 5.835 9.471 191 HG23 ILE 29 3HG2 ILE 29 1.620 6.272 10.606 192 HD11 ILE 29 3HD1 ILE 29 4.871 3.345 9.674 193 HD12 ILE 29 1HD1 ILE 29 4.072 3.368 8.102 194 HD13 ILE 29 2HD1 ILE 29 4.966 4.783 8.657 195 H SER 30 H SER 30 1.830 6.847 6.136 196 HA SER 30 HA SER 30 -0.581 8.144 6.552 197 HB2 SER 30 1HB SER 30 1.381 9.154 5.420 198 HB3 SER 30 2HB SER 30 1.055 8.156 4.003 199 HG SER 30 HG SER 30 -1.037 9.711 4.987 200 H HIS 31 H HIS 31 0.182 5.479 4.430 201 HA HIS 31 HA HIS 31 -2.246 5.628 2.914 202 HB2 HIS 31 1HB HIS 31 -0.395 4.593 1.836 203 HB3 HIS 31 2HB HIS 31 -0.115 3.512 3.198 204 HD1 HIS 31 HD1 HIS 31 -2.606 4.090 0.410 205 HD2 HIS 31 HD2 HIS 31 -1.420 1.113 3.054 206 HE1 HIS 31 HE1 HIS 31 -3.829 2.017 -0.320 207 H GLN 32 H GLN 32 -1.067 3.537 5.537 208 HA GLN 32 HA GLN 32 -3.205 1.828 5.793 209 HB2 GLN 32 1HB GLN 32 -1.629 3.036 8.071 210 HB3 GLN 32 2HB GLN 32 -2.548 1.538 8.124 211 HG2 GLN 32 1HG GLN 32 -1.000 0.786 6.205 212 HG3 GLN 32 2HG GLN 32 0.029 2.119 6.728 213 HE21 GLN 32 1HE2 GLN 32 -0.377 -1.076 6.998 214 HE22 GLN 32 2HE2 GLN 32 0.301 -1.349 8.563 215 H ARG 33 H ARG 33 -3.014 5.191 6.622 216 HA ARG 33 HA ARG 33 -5.048 5.456 8.480 217 HB2 ARG 33 1HB ARG 33 -4.493 7.381 6.218 218 HB3 ARG 33 2HB ARG 33 -5.237 7.755 7.767 219 HG2 ARG 33 1HG ARG 33 -2.406 6.794 7.411 220 HG3 ARG 33 2HG ARG 33 -2.887 8.480 7.611 221 HD2 ARG 33 1HD ARG 33 -3.768 6.461 9.622 222 HD3 ARG 33 2HD ARG 33 -2.107 7.051 9.668 223 HE ARG 33 HE ARG 33 -3.920 9.217 9.514 224 HH11 ARG 33 1HH1 ARG 33 -2.715 6.805 11.717 225 HH12 ARG 33 2HH1 ARG 33 -3.000 7.766 13.130 226 HH21 ARG 33 1HH2 ARG 33 -4.300 10.491 11.368 227 HH22 ARG 33 2HH2 ARG 33 -3.902 9.862 12.930 228 H THR 34 H THR 34 -5.242 5.067 4.994 229 HA THR 34 HA THR 34 -7.970 5.692 4.678 230 HB THR 34 HB THR 34 -7.846 4.674 2.526 231 HG1 THR 34 HG1 THR 34 -5.335 3.515 2.998 232 HG21 THR 34 3HG2 THR 34 -5.340 5.398 1.901 233 HG22 THR 34 1HG2 THR 34 -5.480 6.179 3.476 234 HG23 THR 34 2HG2 THR 34 -6.629 6.564 2.195 235 H HIS 35 H HIS 35 -6.309 2.740 5.595 236 HA HIS 35 HA HIS 35 -8.619 1.063 5.374 237 HB2 HIS 35 1HB HIS 35 -5.908 0.705 6.641 238 HB3 HIS 35 2HB HIS 35 -7.163 -0.525 6.762 239 HD1 HIS 35 HD1 HIS 35 -8.124 -1.282 4.267 240 HD2 HIS 35 HD2 HIS 35 -4.327 0.390 4.474 241 HE1 HIS 35 HE1 HIS 35 -6.973 -1.961 2.137 242 H ALA 36 H ALA 36 -7.040 2.845 7.969 243 HA ALA 36 HA ALA 36 -8.462 1.774 10.135 244 HB1 ALA 36 3HB ALA 36 -7.946 4.471 10.727 245 HB2 ALA 36 1HB ALA 36 -6.987 3.061 11.178 246 HB3 ALA 36 2HB ALA 36 -6.630 3.929 9.685 247 H GLY 37 H GLY 37 -10.518 1.953 10.743 248 HA2 GLY 37 1HA GLY 37 -12.134 4.098 10.941 249 HA3 GLY 37 2HA GLY 37 -12.302 3.675 9.243 250 H GLU 38 H GLU 38 -14.546 3.286 9.667 251 HA GLU 38 HA GLU 38 -15.327 1.207 11.485 252 HB2 GLU 38 1HB GLU 38 -16.759 2.877 9.445 253 HB3 GLU 38 2HB GLU 38 -17.555 1.486 10.167 254 HG2 GLU 38 1HG GLU 38 -17.423 2.423 12.338 255 HG3 GLU 38 2HG GLU 38 -16.340 3.701 11.790 256 H LYS 39 H LYS 39 -13.972 -0.511 10.697 257 HA LYS 39 HA LYS 39 -15.283 -2.022 8.577 258 HB2 LYS 39 1HB LYS 39 -12.363 -1.262 8.554 259 HB3 LYS 39 2HB LYS 39 -13.003 -2.610 7.623 260 HG2 LYS 39 1HG LYS 39 -14.418 -1.128 6.359 261 HG3 LYS 39 2HG LYS 39 -13.929 0.243 7.359 262 HD2 LYS 39 1HD LYS 39 -12.590 0.488 5.484 263 HD3 LYS 39 2HD LYS 39 -11.529 -0.379 6.597 264 HE2 LYS 39 1HE LYS 39 -11.817 -2.409 5.465 265 HE3 LYS 39 2HE LYS 39 -13.255 -1.836 4.621 266 HZ1 LYS 39 3HZ LYS 39 -10.475 -1.537 3.925 267 HZ2 LYS 39 1HZ LYS 39 -11.365 -0.103 3.796 268 HZ3 LYS 39 2HZ LYS 39 -11.850 -1.479 2.941 269 HA PRO 40 HA PRO 40 -14.586 -5.393 11.309 270 HB2 PRO 40 1HB PRO 40 -14.600 -7.455 9.544 271 HB3 PRO 40 2HB PRO 40 -16.062 -6.578 10.007 272 HG2 PRO 40 1HG PRO 40 -14.360 -6.267 7.564 273 HG3 PRO 40 2HG PRO 40 -16.128 -6.288 7.701 274 HD2 PRO 40 1HD PRO 40 -14.712 -3.992 7.459 275 HD3 PRO 40 2HD PRO 40 -16.226 -4.087 8.380 276 H SER 41 H SER 41 -12.396 -4.708 11.848 277 HA SER 41 HA SER 41 -10.336 -6.333 10.504 278 HB2 SER 41 1HB SER 41 -10.040 -3.675 11.924 279 HB3 SER 41 2HB SER 41 -8.699 -4.630 11.290 280 HG SER 41 HG SER 41 -9.378 -4.247 9.247 281 H GLY 42 H GLY 42 -8.348 -6.554 12.108 282 HA2 GLY 42 1HA GLY 42 -9.356 -7.224 14.793 283 HA3 GLY 42 2HA GLY 42 -8.502 -8.439 13.854 284 HA PRO 43 HA PRO 43 -5.499 -6.008 16.505 285 HB2 PRO 43 1HB PRO 43 -4.496 -8.155 17.831 286 HB3 PRO 43 2HB PRO 43 -5.908 -7.252 18.393 287 HG2 PRO 43 1HG PRO 43 -5.788 -9.832 16.879 288 HG3 PRO 43 2HG PRO 43 -6.821 -9.386 18.250 289 HD2 PRO 43 1HD PRO 43 -7.706 -9.364 15.691 290 HD3 PRO 43 2HD PRO 43 -8.304 -8.229 16.918 291 H SER 44 H SER 44 -3.566 -5.590 15.643 292 HA SER 44 HA SER 44 -2.518 -7.187 13.524 293 HB2 SER 44 1HB SER 44 -2.283 -4.723 13.583 294 HB3 SER 44 2HB SER 44 -1.228 -4.870 14.988 295 HG SER 44 HG SER 44 0.178 -6.136 13.644 296 H SER 45 H SER 45 -1.399 -8.991 13.774 297 HA SER 45 HA SER 45 0.201 -9.342 16.219 298 HB2 SER 45 1HB SER 45 -1.713 -10.978 15.566 299 HB3 SER 45 2HB SER 45 -0.565 -11.591 14.376 300 HG SER 45 HG SER 45 0.851 -11.538 16.477 301 H GLY 46 H GLY 46 2.247 -8.758 15.840 302 HA2 GLY 46 1HA GLY 46 3.481 -8.866 13.279 303 HA3 GLY 46 2HA GLY 46 4.291 -8.547 14.806 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -1.415 -13.730 -20.272 2 HA2 GLY 1 1HA GLY 1 -2.366 -11.729 -21.291 3 HA3 GLY 1 2HA GLY 1 -3.594 -11.751 -20.034 4 H SER 2 H SER 2 -0.090 -11.430 -20.513 5 HA SER 2 HA SER 2 0.243 -10.139 -17.952 6 HB2 SER 2 1HB SER 2 1.961 -11.649 -19.106 7 HB3 SER 2 2HB SER 2 2.302 -10.272 -20.153 8 HG SER 2 HG SER 2 3.088 -9.157 -18.458 9 H SER 3 H SER 3 -0.452 -8.120 -17.709 10 HA SER 3 HA SER 3 -0.593 -6.284 -19.928 11 HB2 SER 3 1HB SER 3 -1.226 -5.953 -16.988 12 HB3 SER 3 2HB SER 3 -1.478 -4.697 -18.199 13 HG SER 3 HG SER 3 -2.787 -6.368 -19.310 14 H GLY 4 H GLY 4 1.103 -6.304 -16.787 15 HA2 GLY 4 1HA GLY 4 3.605 -5.637 -17.509 16 HA3 GLY 4 2HA GLY 4 2.780 -4.089 -17.617 17 H SER 5 H SER 5 4.643 -3.828 -15.944 18 HA SER 5 HA SER 5 4.111 -4.821 -13.305 19 HB2 SER 5 1HB SER 5 5.950 -3.226 -12.650 20 HB3 SER 5 2HB SER 5 6.403 -4.398 -13.888 21 HG SER 5 HG SER 5 6.479 -2.842 -15.365 22 H SER 6 H SER 6 3.805 -3.372 -11.434 23 HA SER 6 HA SER 6 2.074 -1.085 -12.115 24 HB2 SER 6 1HB SER 6 1.738 -3.220 -10.018 25 HB3 SER 6 2HB SER 6 0.939 -1.656 -9.866 26 HG SER 6 HG SER 6 0.658 -3.526 -11.982 27 H GLY 7 H GLY 7 4.815 -0.776 -11.751 28 HA2 GLY 7 1HA GLY 7 5.435 1.337 -10.470 29 HA3 GLY 7 2HA GLY 7 5.014 0.393 -9.049 30 H THR 8 H THR 8 7.073 0.545 -8.159 31 HA THR 8 HA THR 8 9.103 -1.101 -9.518 32 HB THR 8 HB THR 8 10.854 0.358 -8.481 33 HG1 THR 8 HG1 THR 8 8.548 1.694 -7.633 34 HG21 THR 8 3HG2 THR 8 9.930 0.573 -10.867 35 HG22 THR 8 1HG2 THR 8 10.846 1.932 -10.220 36 HG23 THR 8 2HG2 THR 8 9.085 2.001 -10.271 37 H GLY 9 H GLY 9 10.877 -1.758 -7.896 38 HA2 GLY 9 1HA GLY 9 9.501 -2.870 -5.563 39 HA3 GLY 9 2HA GLY 9 11.033 -3.424 -6.223 40 H GLU 10 H GLU 10 12.432 -3.254 -4.581 41 HA GLU 10 HA GLU 10 13.587 -2.393 -2.805 42 HB2 GLU 10 1HB GLU 10 13.351 0.129 -4.456 43 HB3 GLU 10 2HB GLU 10 14.546 -0.178 -3.204 44 HG2 GLU 10 1HG GLU 10 14.306 -1.933 -5.621 45 HG3 GLU 10 2HG GLU 10 15.269 -0.456 -5.629 46 H ASN 11 H ASN 11 10.891 -2.539 -2.235 47 HA ASN 11 HA ASN 11 10.417 -0.068 -0.700 48 HB2 ASN 11 1HB ASN 11 8.526 -1.930 -2.101 49 HB3 ASN 11 2HB ASN 11 7.970 -0.988 -0.721 50 HD21 ASN 11 1HD2 ASN 11 8.727 -0.976 -4.036 51 HD22 ASN 11 2HD2 ASN 11 8.418 0.696 -4.341 52 HA PRO 12 HA PRO 12 11.237 -3.231 2.491 53 HB2 PRO 12 1HB PRO 12 12.148 -1.442 4.319 54 HB3 PRO 12 2HB PRO 12 13.168 -2.115 3.042 55 HG2 PRO 12 1HG PRO 12 11.765 0.527 3.150 56 HG3 PRO 12 2HG PRO 12 13.409 0.155 2.599 57 HD2 PRO 12 1HD PRO 12 11.349 0.537 0.884 58 HD3 PRO 12 2HD PRO 12 12.687 -0.577 0.536 59 H TYR 13 H TYR 13 9.048 -0.713 2.136 60 HA TYR 13 HA TYR 13 7.681 -1.459 4.638 61 HB2 TYR 13 1HB TYR 13 7.515 1.237 3.281 62 HB3 TYR 13 2HB TYR 13 6.820 0.785 4.834 63 HD1 TYR 13 HD1 TYR 13 8.329 0.350 6.775 64 HD2 TYR 13 HD2 TYR 13 9.778 1.936 3.102 65 HE1 TYR 13 HE1 TYR 13 10.375 1.100 7.914 66 HE2 TYR 13 HE2 TYR 13 11.830 2.690 4.231 67 HH TYR 13 HH TYR 13 12.264 2.272 7.725 68 H GLU 14 H GLU 14 6.176 -2.871 3.949 69 HA GLU 14 HA GLU 14 4.438 -2.029 1.723 70 HB2 GLU 14 1HB GLU 14 5.570 -4.673 2.474 71 HB3 GLU 14 2HB GLU 14 3.933 -4.655 1.834 72 HG2 GLU 14 1HG GLU 14 4.597 -4.014 -0.244 73 HG3 GLU 14 2HG GLU 14 6.009 -3.145 0.353 74 H CYS 15 H CYS 15 2.206 -2.327 1.927 75 HA CYS 15 HA CYS 15 1.240 -2.182 4.645 76 HB2 CYS 15 1HB CYS 15 0.420 -0.757 2.688 77 HB3 CYS 15 2HB CYS 15 -0.446 -2.191 2.145 78 H HIS 16 H HIS 16 0.898 -3.984 5.758 79 HA HIS 16 HA HIS 16 0.482 -6.525 4.540 80 HB2 HIS 16 1HB HIS 16 0.251 -7.369 6.807 81 HB3 HIS 16 2HB HIS 16 1.599 -6.239 6.733 82 HD1 HIS 16 HD1 HIS 16 0.124 -6.916 9.387 83 HD2 HIS 16 HD2 HIS 16 -0.690 -3.623 6.988 84 HE1 HIS 16 HE1 HIS 16 -0.948 -5.225 10.908 85 H GLU 17 H GLU 17 -1.565 -3.963 4.914 86 HA GLU 17 HA GLU 17 -3.958 -5.439 5.582 87 HB2 GLU 17 1HB GLU 17 -3.608 -2.600 4.604 88 HB3 GLU 17 2HB GLU 17 -5.113 -3.295 5.189 89 HG2 GLU 17 1HG GLU 17 -3.704 -3.796 7.331 90 HG3 GLU 17 2HG GLU 17 -2.673 -2.512 6.702 91 H CYS 18 H CYS 18 -2.715 -3.742 2.710 92 HA CYS 18 HA CYS 18 -4.591 -5.321 1.075 93 HB2 CYS 18 1HB CYS 18 -4.396 -3.510 -0.609 94 HB3 CYS 18 2HB CYS 18 -5.071 -2.949 0.917 95 H GLY 19 H GLY 19 -1.317 -3.954 1.183 96 HA2 GLY 19 1HA GLY 19 0.439 -5.664 0.624 97 HA3 GLY 19 2HA GLY 19 -0.514 -5.974 -0.820 98 H LYS 20 H LYS 20 -0.285 -2.721 0.298 99 HA LYS 20 HA LYS 20 0.938 -1.876 -2.140 100 HB2 LYS 20 1HB LYS 20 -0.746 -0.569 -0.762 101 HB3 LYS 20 2HB LYS 20 0.566 -0.220 0.356 102 HG2 LYS 20 1HG LYS 20 1.671 1.135 -1.155 103 HG3 LYS 20 2HG LYS 20 0.864 0.412 -2.548 104 HD2 LYS 20 1HD LYS 20 -0.784 1.850 -0.524 105 HD3 LYS 20 2HD LYS 20 0.179 2.797 -1.661 106 HE2 LYS 20 1HE LYS 20 -2.046 2.483 -2.546 107 HE3 LYS 20 2HE LYS 20 -0.888 1.584 -3.525 108 HZ1 LYS 20 3HZ LYS 20 -2.955 0.348 -2.992 109 HZ2 LYS 20 1HZ LYS 20 -2.510 0.367 -1.359 110 HZ3 LYS 20 2HZ LYS 20 -1.545 -0.440 -2.490 111 H ALA 21 H ALA 21 2.822 -0.245 -1.996 112 HA ALA 21 HA ALA 21 4.845 -1.101 -0.057 113 HB1 ALA 21 3HB ALA 21 5.710 -2.419 -1.669 114 HB2 ALA 21 1HB ALA 21 4.918 -1.530 -2.971 115 HB3 ALA 21 2HB ALA 21 6.399 -0.902 -2.247 116 H PHE 22 H PHE 22 6.376 0.444 0.457 117 HA PHE 22 HA PHE 22 6.265 3.014 -0.935 118 HB2 PHE 22 1HB PHE 22 6.084 2.829 2.075 119 HB3 PHE 22 2HB PHE 22 5.970 4.280 1.085 120 HD1 PHE 22 HD2 PHE 22 4.278 1.014 1.653 121 HD2 PHE 22 HD1 PHE 22 3.894 5.089 0.487 122 HE1 PHE 22 HE2 PHE 22 1.833 0.754 1.564 123 HE2 PHE 22 HE1 PHE 22 1.448 4.836 0.397 124 HZ PHE 22 HZ PHE 22 0.415 2.666 0.934 125 H SER 23 H SER 23 8.072 4.434 -0.393 126 HA SER 23 HA SER 23 10.518 2.949 -0.218 127 HB2 SER 23 1HB SER 23 9.929 5.173 -1.537 128 HB3 SER 23 2HB SER 23 10.486 5.932 -0.046 129 HG SER 23 HG SER 23 12.062 5.376 -1.849 130 H ARG 24 H ARG 24 9.003 5.472 1.786 131 HA ARG 24 HA ARG 24 10.848 4.775 3.962 132 HB2 ARG 24 1HB ARG 24 8.989 7.133 3.999 133 HB3 ARG 24 2HB ARG 24 10.506 6.909 4.860 134 HG2 ARG 24 1HG ARG 24 11.454 6.834 2.380 135 HG3 ARG 24 2HG ARG 24 10.011 7.806 2.085 136 HD2 ARG 24 1HD ARG 24 10.767 9.558 3.336 137 HD3 ARG 24 2HD ARG 24 11.712 8.525 4.408 138 HE ARG 24 HE ARG 24 12.935 8.389 1.939 139 HH11 ARG 24 1HH1 ARG 24 12.182 10.859 4.274 140 HH12 ARG 24 2HH1 ARG 24 13.542 11.848 3.860 141 HH21 ARG 24 1HH2 ARG 24 14.729 9.683 1.384 142 HH22 ARG 24 2HH2 ARG 24 14.990 11.179 2.215 143 H LYS 25 H LYS 25 9.935 4.780 6.176 144 HA LYS 25 HA LYS 25 7.821 2.945 6.406 145 HB2 LYS 25 1HB LYS 25 9.542 3.139 8.115 146 HB3 LYS 25 2HB LYS 25 9.032 4.782 8.480 147 HG2 LYS 25 1HG LYS 25 8.073 3.554 10.183 148 HG3 LYS 25 2HG LYS 25 6.749 3.708 9.025 149 HD2 LYS 25 1HD LYS 25 7.174 1.482 8.184 150 HD3 LYS 25 2HD LYS 25 8.597 1.329 9.218 151 HE2 LYS 25 1HE LYS 25 5.770 1.699 10.203 152 HE3 LYS 25 2HE LYS 25 6.611 0.153 10.110 153 HZ1 LYS 25 3HZ LYS 25 8.174 2.066 11.504 154 HZ2 LYS 25 1HZ LYS 25 7.610 0.561 12.030 155 HZ3 LYS 25 2HZ LYS 25 6.643 1.936 12.210 156 H TYR 26 H TYR 26 7.929 6.438 7.073 157 HA TYR 26 HA TYR 26 5.285 6.745 7.905 158 HB2 TYR 26 1HB TYR 26 5.703 8.991 7.882 159 HB3 TYR 26 2HB TYR 26 7.363 8.418 7.758 160 HD1 TYR 26 HD1 TYR 26 8.499 8.413 5.538 161 HD2 TYR 26 HD2 TYR 26 4.688 10.214 6.115 162 HE1 TYR 26 HE1 TYR 26 8.781 9.667 3.441 163 HE2 TYR 26 HE2 TYR 26 4.959 11.472 4.019 164 HH TYR 26 HH TYR 26 6.657 10.851 1.706 165 H GLN 27 H GLN 27 6.691 6.812 4.664 166 HA GLN 27 HA GLN 27 4.536 7.710 3.192 167 HB2 GLN 27 1HB GLN 27 6.675 5.692 2.536 168 HB3 GLN 27 2HB GLN 27 5.473 6.196 1.355 169 HG2 GLN 27 1HG GLN 27 6.259 8.591 1.947 170 HG3 GLN 27 2HG GLN 27 7.681 7.775 2.596 171 HE21 GLN 27 1HE2 GLN 27 8.519 9.266 0.806 172 HE22 GLN 27 2HE2 GLN 27 8.708 8.538 -0.749 173 H LEU 28 H LEU 28 4.973 4.666 4.791 174 HA LEU 28 HA LEU 28 2.764 3.407 3.387 175 HB2 LEU 28 1HB LEU 28 4.395 1.848 3.852 176 HB3 LEU 28 2HB LEU 28 4.760 2.547 5.428 177 HG LEU 28 HG LEU 28 2.816 1.539 6.398 178 HD11 LEU 28 1HD1 LEU 28 1.723 -0.156 4.526 179 HD12 LEU 28 2HD1 LEU 28 1.975 1.336 3.622 180 HD13 LEU 28 3HD1 LEU 28 1.014 1.353 5.101 181 HD21 LEU 28 3HD2 LEU 28 4.544 -0.252 4.731 182 HD22 LEU 28 1HD2 LEU 28 3.267 -0.918 5.749 183 HD23 LEU 28 2HD2 LEU 28 4.572 0.021 6.474 184 H ILE 29 H ILE 29 3.503 4.621 6.631 185 HA ILE 29 HA ILE 29 1.188 3.868 7.952 186 HB ILE 29 HB ILE 29 3.023 6.216 8.298 187 HG12 ILE 29 1HG1 ILE 29 3.310 4.993 10.545 188 HG13 ILE 29 2HG1 ILE 29 2.431 3.667 9.791 189 HG21 ILE 29 1HG2 ILE 29 1.283 7.330 9.197 190 HG22 ILE 29 2HG2 ILE 29 0.327 5.866 9.426 191 HG23 ILE 29 3HG2 ILE 29 1.591 6.284 10.583 192 HD11 ILE 29 3HD1 ILE 29 4.895 3.431 9.720 193 HD12 ILE 29 1HD1 ILE 29 4.129 3.405 8.132 194 HD13 ILE 29 2HD1 ILE 29 4.960 4.859 8.687 195 H SER 30 H SER 30 1.807 6.863 6.134 196 HA SER 30 HA SER 30 -0.610 8.141 6.546 197 HB2 SER 30 1HB SER 30 1.543 8.874 5.231 198 HB3 SER 30 2HB SER 30 0.667 8.244 3.835 199 HG SER 30 HG SER 30 -1.101 9.648 4.567 200 H HIS 31 H HIS 31 0.169 5.504 4.378 201 HA HIS 31 HA HIS 31 -2.281 5.620 2.905 202 HB2 HIS 31 1HB HIS 31 -0.421 4.609 1.813 203 HB3 HIS 31 2HB HIS 31 -0.133 3.517 3.164 204 HD1 HIS 31 HD1 HIS 31 -2.648 4.116 0.400 205 HD2 HIS 31 HD2 HIS 31 -1.418 1.111 2.991 206 HE1 HIS 31 HE1 HIS 31 -3.864 2.045 -0.348 207 H GLN 32 H GLN 32 -1.060 3.580 5.543 208 HA GLN 32 HA GLN 32 -3.149 1.816 5.817 209 HB2 GLN 32 1HB GLN 32 -1.596 3.109 8.065 210 HB3 GLN 32 2HB GLN 32 -2.508 1.609 8.173 211 HG2 GLN 32 1HG GLN 32 -0.966 0.788 6.285 212 HG3 GLN 32 2HG GLN 32 0.056 2.153 6.733 213 HE21 GLN 32 1HE2 GLN 32 -0.536 -1.048 7.258 214 HE22 GLN 32 2HE2 GLN 32 0.247 -1.235 8.786 215 H ARG 33 H ARG 33 -3.021 5.187 6.696 216 HA ARG 33 HA ARG 33 -5.118 5.385 8.490 217 HB2 ARG 33 1HB ARG 33 -4.501 7.370 6.296 218 HB3 ARG 33 2HB ARG 33 -5.313 7.700 7.821 219 HG2 ARG 33 1HG ARG 33 -2.462 6.768 7.572 220 HG3 ARG 33 2HG ARG 33 -2.960 8.449 7.767 221 HD2 ARG 33 1HD ARG 33 -3.975 6.456 9.721 222 HD3 ARG 33 2HD ARG 33 -2.281 6.931 9.832 223 HE ARG 33 HE ARG 33 -4.593 8.558 10.432 224 HH11 ARG 33 1HH1 ARG 33 -1.189 8.500 9.704 225 HH12 ARG 33 2HH1 ARG 33 -0.877 10.047 10.418 226 HH21 ARG 33 1HH2 ARG 33 -4.195 10.596 11.375 227 HH22 ARG 33 2HH2 ARG 33 -2.587 11.238 11.369 228 H THR 34 H THR 34 -5.190 5.033 5.001 229 HA THR 34 HA THR 34 -7.910 5.659 4.598 230 HB THR 34 HB THR 34 -7.706 4.679 2.436 231 HG1 THR 34 HG1 THR 34 -5.960 3.011 3.723 232 HG21 THR 34 3HG2 THR 34 -6.489 6.585 2.194 233 HG22 THR 34 1HG2 THR 34 -5.193 5.427 1.898 234 HG23 THR 34 2HG2 THR 34 -5.369 6.165 3.490 235 H HIS 35 H HIS 35 -6.330 2.856 5.850 236 HA HIS 35 HA HIS 35 -8.563 1.081 5.397 237 HB2 HIS 35 1HB HIS 35 -5.913 0.829 6.789 238 HB3 HIS 35 2HB HIS 35 -7.156 -0.399 7.007 239 HD1 HIS 35 HD1 HIS 35 -8.056 -1.447 4.623 240 HD2 HIS 35 HD2 HIS 35 -4.334 0.399 4.633 241 HE1 HIS 35 HE1 HIS 35 -6.884 -2.285 2.562 242 H ALA 36 H ALA 36 -7.170 2.871 8.107 243 HA ALA 36 HA ALA 36 -8.546 1.898 10.248 244 HB1 ALA 36 3HB ALA 36 -8.637 4.713 10.506 245 HB2 ALA 36 1HB ALA 36 -7.475 3.585 11.206 246 HB3 ALA 36 2HB ALA 36 -7.163 4.306 9.626 247 H GLY 37 H GLY 37 -10.585 1.947 11.035 248 HA2 GLY 37 1HA GLY 37 -12.578 3.797 10.510 249 HA3 GLY 37 2HA GLY 37 -12.726 2.564 9.266 250 H GLU 38 H GLU 38 -12.464 0.233 10.343 251 HA GLU 38 HA GLU 38 -13.617 -0.051 12.943 252 HB2 GLU 38 1HB GLU 38 -15.752 -0.944 12.356 253 HB3 GLU 38 2HB GLU 38 -15.595 0.606 11.541 254 HG2 GLU 38 1HG GLU 38 -14.909 -0.634 9.486 255 HG3 GLU 38 2HG GLU 38 -15.307 -2.130 10.329 256 H LYS 39 H LYS 39 -14.328 -2.457 13.241 257 HA LYS 39 HA LYS 39 -12.093 -4.070 12.796 258 HB2 LYS 39 1HB LYS 39 -13.359 -5.862 13.734 259 HB3 LYS 39 2HB LYS 39 -13.852 -4.393 14.565 260 HG2 LYS 39 1HG LYS 39 -15.820 -4.282 13.030 261 HG3 LYS 39 2HG LYS 39 -15.356 -5.872 12.420 262 HD2 LYS 39 1HD LYS 39 -15.876 -6.930 14.406 263 HD3 LYS 39 2HD LYS 39 -15.680 -5.459 15.361 264 HE2 LYS 39 1HE LYS 39 -18.018 -6.014 15.249 265 HE3 LYS 39 2HE LYS 39 -17.730 -4.555 14.302 266 HZ1 LYS 39 3HZ LYS 39 -17.980 -7.296 13.185 267 HZ2 LYS 39 1HZ LYS 39 -17.762 -5.874 12.294 268 HZ3 LYS 39 2HZ LYS 39 -19.194 -6.118 13.161 269 HA PRO 40 HA PRO 40 -12.557 -5.579 8.693 270 HB2 PRO 40 1HB PRO 40 -11.293 -7.971 8.928 271 HB3 PRO 40 2HB PRO 40 -10.432 -6.427 8.914 272 HG2 PRO 40 1HG PRO 40 -11.216 -8.138 11.242 273 HG3 PRO 40 2HG PRO 40 -9.689 -7.288 10.943 274 HD2 PRO 40 1HD PRO 40 -11.593 -6.321 12.607 275 HD3 PRO 40 2HD PRO 40 -10.532 -5.264 11.655 276 H SER 41 H SER 41 -13.343 -7.507 7.459 277 HA SER 41 HA SER 41 -15.852 -8.373 8.542 278 HB2 SER 41 1HB SER 41 -16.206 -9.424 6.375 279 HB3 SER 41 2HB SER 41 -15.546 -7.806 6.141 280 HG SER 41 HG SER 41 -13.670 -8.641 5.489 281 H GLY 42 H GLY 42 -15.877 -9.915 10.053 282 HA2 GLY 42 1HA GLY 42 -14.210 -12.313 9.589 283 HA3 GLY 42 2HA GLY 42 -14.536 -11.670 11.192 284 HA PRO 43 HA PRO 43 -17.580 -15.062 10.325 285 HB2 PRO 43 1HB PRO 43 -17.249 -16.294 12.721 286 HB3 PRO 43 2HB PRO 43 -16.231 -16.635 11.317 287 HG2 PRO 43 1HG PRO 43 -15.682 -14.869 13.671 288 HG3 PRO 43 2HG PRO 43 -14.603 -16.017 12.859 289 HD2 PRO 43 1HD PRO 43 -14.495 -13.349 12.410 290 HD3 PRO 43 2HD PRO 43 -14.114 -14.545 11.154 291 H SER 44 H SER 44 -19.570 -15.546 11.484 292 HA SER 44 HA SER 44 -20.516 -13.211 12.966 293 HB2 SER 44 1HB SER 44 -22.044 -15.512 11.726 294 HB3 SER 44 2HB SER 44 -22.776 -14.118 12.520 295 HG SER 44 HG SER 44 -22.552 -14.045 10.144 296 H SER 45 H SER 45 -21.018 -13.251 15.068 297 HA SER 45 HA SER 45 -20.521 -15.700 16.552 298 HB2 SER 45 1HB SER 45 -20.827 -12.808 17.281 299 HB3 SER 45 2HB SER 45 -21.014 -14.043 18.525 300 HG SER 45 HG SER 45 -18.816 -14.447 16.962 301 H GLY 46 H GLY 46 -22.076 -17.044 17.165 302 HA2 GLY 46 1HA GLY 46 -24.503 -16.319 18.330 303 HA3 GLY 46 2HA GLY 46 -24.810 -16.568 16.617 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -4.583 -21.917 -8.271 2 HA2 GLY 1 1HA GLY 1 -2.667 -23.798 -7.396 3 HA3 GLY 1 2HA GLY 1 -3.458 -24.410 -8.841 4 H SER 2 H SER 2 -0.820 -22.800 -7.796 5 HA SER 2 HA SER 2 0.019 -22.052 -10.383 6 HB2 SER 2 1HB SER 2 -1.515 -20.180 -10.111 7 HB3 SER 2 2HB SER 2 -0.784 -19.773 -8.558 8 HG SER 2 HG SER 2 0.582 -19.768 -11.047 9 H SER 3 H SER 3 2.200 -21.410 -10.446 10 HA SER 3 HA SER 3 3.600 -21.533 -7.856 11 HB2 SER 3 1HB SER 3 5.466 -22.677 -9.068 12 HB3 SER 3 2HB SER 3 3.980 -23.624 -9.010 13 HG SER 3 HG SER 3 5.299 -23.131 -11.130 14 H GLY 4 H GLY 4 5.216 -20.081 -7.504 15 HA2 GLY 4 1HA GLY 4 6.736 -18.702 -9.348 16 HA3 GLY 4 2HA GLY 4 5.275 -17.745 -9.144 17 H SER 5 H SER 5 7.790 -16.757 -8.501 18 HA SER 5 HA SER 5 7.373 -16.080 -5.729 19 HB2 SER 5 1HB SER 5 9.776 -17.673 -6.611 20 HB3 SER 5 2HB SER 5 9.818 -16.645 -5.178 21 HG SER 5 HG SER 5 7.665 -18.383 -5.387 22 H SER 6 H SER 6 8.204 -14.102 -5.211 23 HA SER 6 HA SER 6 10.120 -12.827 -6.995 24 HB2 SER 6 1HB SER 6 7.263 -11.970 -6.685 25 HB3 SER 6 2HB SER 6 8.511 -10.756 -6.963 26 HG SER 6 HG SER 6 7.321 -12.085 -8.794 27 H GLY 7 H GLY 7 10.484 -10.457 -6.144 28 HA2 GLY 7 1HA GLY 7 10.023 -9.968 -3.376 29 HA3 GLY 7 2HA GLY 7 11.641 -10.603 -3.638 30 H THR 8 H THR 8 10.463 -7.897 -2.832 31 HA THR 8 HA THR 8 12.031 -6.305 -4.754 32 HB THR 8 HB THR 8 10.507 -4.386 -4.220 33 HG1 THR 8 HG1 THR 8 9.170 -4.723 -2.621 34 HG21 THR 8 3HG2 THR 8 8.959 -4.941 -5.867 35 HG22 THR 8 1HG2 THR 8 8.882 -6.629 -5.366 36 HG23 THR 8 2HG2 THR 8 10.304 -6.026 -6.217 37 H GLY 9 H GLY 9 12.885 -4.263 -3.838 38 HA2 GLY 9 1HA GLY 9 13.375 -4.469 -0.935 39 HA3 GLY 9 2HA GLY 9 14.700 -4.202 -2.058 40 H GLU 10 H GLU 10 13.629 -2.351 -3.780 41 HA GLU 10 HA GLU 10 14.173 0.060 -2.706 42 HB2 GLU 10 1HB GLU 10 12.783 1.090 -4.446 43 HB3 GLU 10 2HB GLU 10 13.720 -0.254 -5.083 44 HG2 GLU 10 1HG GLU 10 11.587 -1.643 -4.630 45 HG3 GLU 10 2HG GLU 10 10.783 -0.075 -4.577 46 H ASN 11 H ASN 11 11.240 -1.761 -2.252 47 HA ASN 11 HA ASN 11 10.182 0.415 -0.569 48 HB2 ASN 11 1HB ASN 11 7.941 -0.773 -0.948 49 HB3 ASN 11 2HB ASN 11 8.615 0.121 -2.307 50 HD21 ASN 11 1HD2 ASN 11 8.691 -0.892 -4.175 51 HD22 ASN 11 2HD2 ASN 11 8.628 -2.603 -4.407 52 HA PRO 12 HA PRO 12 11.268 -3.054 2.274 53 HB2 PRO 12 1HB PRO 12 12.143 -1.432 4.267 54 HB3 PRO 12 2HB PRO 12 13.175 -1.954 2.930 55 HG2 PRO 12 1HG PRO 12 11.713 0.633 3.296 56 HG3 PRO 12 2HG PRO 12 13.364 0.353 2.711 57 HD2 PRO 12 1HD PRO 12 11.292 0.854 1.041 58 HD3 PRO 12 2HD PRO 12 12.654 -0.190 0.587 59 H TYR 13 H TYR 13 9.023 -0.563 2.166 60 HA TYR 13 HA TYR 13 7.699 -1.548 4.609 61 HB2 TYR 13 1HB TYR 13 7.384 1.211 3.419 62 HB3 TYR 13 2HB TYR 13 6.747 0.636 4.955 63 HD1 TYR 13 HD1 TYR 13 8.266 0.260 6.864 64 HD2 TYR 13 HD2 TYR 13 9.657 1.938 3.210 65 HE1 TYR 13 HE1 TYR 13 10.298 1.045 8.005 66 HE2 TYR 13 HE2 TYR 13 11.694 2.727 4.341 67 HH TYR 13 HH TYR 13 12.015 2.991 7.574 68 H GLU 14 H GLU 14 6.165 -2.915 3.950 69 HA GLU 14 HA GLU 14 4.450 -2.093 1.698 70 HB2 GLU 14 1HB GLU 14 5.562 -4.730 2.503 71 HB3 GLU 14 2HB GLU 14 3.935 -4.714 1.838 72 HG2 GLU 14 1HG GLU 14 4.632 -4.106 -0.238 73 HG3 GLU 14 2HG GLU 14 6.039 -3.234 0.367 74 H CYS 15 H CYS 15 2.230 -2.273 1.903 75 HA CYS 15 HA CYS 15 1.227 -2.119 4.596 76 HB2 CYS 15 1HB CYS 15 0.432 -0.707 2.638 77 HB3 CYS 15 2HB CYS 15 -0.403 -2.144 2.056 78 H HIS 16 H HIS 16 0.958 -3.939 5.715 79 HA HIS 16 HA HIS 16 0.493 -6.478 4.533 80 HB2 HIS 16 1HB HIS 16 0.194 -7.269 6.843 81 HB3 HIS 16 2HB HIS 16 1.626 -6.254 6.690 82 HD1 HIS 16 HD1 HIS 16 1.802 -5.159 8.914 83 HD2 HIS 16 HD2 HIS 16 -2.066 -5.020 7.404 84 HE1 HIS 16 HE1 HIS 16 0.502 -3.731 10.525 85 H GLU 17 H GLU 17 -1.533 -3.915 4.808 86 HA GLU 17 HA GLU 17 -3.936 -5.349 5.544 87 HB2 GLU 17 1HB GLU 17 -3.720 -2.575 4.372 88 HB3 GLU 17 2HB GLU 17 -5.078 -3.255 5.257 89 HG2 GLU 17 1HG GLU 17 -3.411 -3.493 7.203 90 HG3 GLU 17 2HG GLU 17 -2.421 -2.357 6.290 91 H CYS 18 H CYS 18 -2.666 -3.779 2.613 92 HA CYS 18 HA CYS 18 -4.550 -5.407 1.035 93 HB2 CYS 18 1HB CYS 18 -4.374 -3.643 -0.706 94 HB3 CYS 18 2HB CYS 18 -5.061 -3.051 0.803 95 H GLY 19 H GLY 19 -1.296 -3.984 1.066 96 HA2 GLY 19 1HA GLY 19 0.462 -5.730 0.554 97 HA3 GLY 19 2HA GLY 19 -0.480 -6.034 -0.897 98 H LYS 20 H LYS 20 -0.289 -2.778 0.182 99 HA LYS 20 HA LYS 20 0.962 -1.936 -2.231 100 HB2 LYS 20 1HB LYS 20 -0.679 -0.696 -0.551 101 HB3 LYS 20 2HB LYS 20 0.836 -0.133 0.142 102 HG2 LYS 20 1HG LYS 20 1.349 1.153 -1.664 103 HG3 LYS 20 2HG LYS 20 0.484 0.108 -2.794 104 HD2 LYS 20 1HD LYS 20 -1.602 0.966 -1.390 105 HD3 LYS 20 2HD LYS 20 -0.522 2.332 -1.100 106 HE2 LYS 20 1HE LYS 20 -2.006 2.625 -3.072 107 HE3 LYS 20 2HE LYS 20 -0.288 2.723 -3.454 108 HZ1 LYS 20 3HZ LYS 20 -1.968 1.254 -4.851 109 HZ2 LYS 20 1HZ LYS 20 -1.546 0.103 -3.685 110 HZ3 LYS 20 2HZ LYS 20 -0.348 0.816 -4.642 111 H ALA 21 H ALA 21 2.820 -0.198 -1.944 112 HA ALA 21 HA ALA 21 4.852 -1.126 -0.062 113 HB1 ALA 21 3HB ALA 21 5.752 -2.416 -1.668 114 HB2 ALA 21 1HB ALA 21 4.920 -1.561 -2.967 115 HB3 ALA 21 2HB ALA 21 6.396 -0.890 -2.273 116 H PHE 22 H PHE 22 6.375 0.414 0.480 117 HA PHE 22 HA PHE 22 6.271 2.998 -0.888 118 HB2 PHE 22 1HB PHE 22 6.095 2.782 2.120 119 HB3 PHE 22 2HB PHE 22 5.976 4.242 1.144 120 HD1 PHE 22 HD2 PHE 22 4.289 0.979 1.723 121 HD2 PHE 22 HD1 PHE 22 3.900 5.043 0.519 122 HE1 PHE 22 HE2 PHE 22 1.844 0.716 1.637 123 HE2 PHE 22 HE1 PHE 22 1.455 4.787 0.432 124 HZ PHE 22 HZ PHE 22 0.423 2.621 0.990 125 H SER 23 H SER 23 8.101 4.365 -0.453 126 HA SER 23 HA SER 23 10.533 2.882 -0.242 127 HB2 SER 23 1HB SER 23 9.951 5.099 -1.573 128 HB3 SER 23 2HB SER 23 10.519 5.866 -0.090 129 HG SER 23 HG SER 23 12.344 4.172 -0.496 130 H ARG 24 H ARG 24 8.982 5.367 1.773 131 HA ARG 24 HA ARG 24 10.844 4.681 3.944 132 HB2 ARG 24 1HB ARG 24 9.035 7.074 3.982 133 HB3 ARG 24 2HB ARG 24 10.562 6.828 4.818 134 HG2 ARG 24 1HG ARG 24 11.486 6.732 2.342 135 HG3 ARG 24 2HG ARG 24 10.039 7.692 2.032 136 HD2 ARG 24 1HD ARG 24 11.765 9.243 2.465 137 HD3 ARG 24 2HD ARG 24 10.785 9.187 3.930 138 HE ARG 24 HE ARG 24 12.708 7.388 4.460 139 HH11 ARG 24 1HH1 ARG 24 12.823 10.659 3.272 140 HH12 ARG 24 2HH1 ARG 24 14.365 11.001 3.985 141 HH21 ARG 24 1HH2 ARG 24 14.738 7.827 5.404 142 HH22 ARG 24 2HH2 ARG 24 15.453 9.390 5.197 143 H LYS 25 H LYS 25 9.904 4.781 6.166 144 HA LYS 25 HA LYS 25 7.772 2.964 6.414 145 HB2 LYS 25 1HB LYS 25 9.446 3.134 8.145 146 HB3 LYS 25 2HB LYS 25 9.034 4.818 8.439 147 HG2 LYS 25 1HG LYS 25 8.003 3.710 10.186 148 HG3 LYS 25 2HG LYS 25 6.693 3.918 9.022 149 HD2 LYS 25 1HD LYS 25 6.672 1.682 8.447 150 HD3 LYS 25 2HD LYS 25 8.346 1.431 8.947 151 HE2 LYS 25 1HE LYS 25 7.441 1.959 11.323 152 HE3 LYS 25 2HE LYS 25 5.869 1.581 10.620 153 HZ1 LYS 25 3HZ LYS 25 6.534 -0.454 11.398 154 HZ2 LYS 25 1HZ LYS 25 8.172 -0.185 11.073 155 HZ3 LYS 25 2HZ LYS 25 7.106 -0.536 9.808 156 H TYR 26 H TYR 26 7.906 6.452 7.135 157 HA TYR 26 HA TYR 26 5.269 6.812 7.899 158 HB2 TYR 26 1HB TYR 26 5.698 9.060 7.805 159 HB3 TYR 26 2HB TYR 26 7.352 8.462 7.739 160 HD1 TYR 26 HD1 TYR 26 8.543 8.379 5.551 161 HD2 TYR 26 HD2 TYR 26 4.738 10.236 5.974 162 HE1 TYR 26 HE1 TYR 26 8.891 9.564 3.424 163 HE2 TYR 26 HE2 TYR 26 5.075 11.425 3.848 164 HH TYR 26 HH TYR 26 7.959 11.808 2.394 165 H GLN 27 H GLN 27 6.676 6.817 4.656 166 HA GLN 27 HA GLN 27 4.518 7.692 3.173 167 HB2 GLN 27 1HB GLN 27 6.633 5.641 2.526 168 HB3 GLN 27 2HB GLN 27 5.455 6.197 1.344 169 HG2 GLN 27 1HG GLN 27 6.318 8.562 2.016 170 HG3 GLN 27 2HG GLN 27 7.722 7.669 2.597 171 HE21 GLN 27 1HE2 GLN 27 8.632 9.145 0.867 172 HE22 GLN 27 2HE2 GLN 27 8.733 8.488 -0.728 173 H LEU 28 H LEU 28 4.970 4.665 4.805 174 HA LEU 28 HA LEU 28 2.764 3.381 3.422 175 HB2 LEU 28 1HB LEU 28 4.396 1.833 3.915 176 HB3 LEU 28 2HB LEU 28 4.761 2.560 5.478 177 HG LEU 28 HG LEU 28 2.813 1.568 6.464 178 HD11 LEU 28 1HD1 LEU 28 1.713 -0.172 4.665 179 HD12 LEU 28 2HD1 LEU 28 2.005 1.258 3.676 180 HD13 LEU 28 3HD1 LEU 28 1.026 1.383 5.136 181 HD21 LEU 28 3HD2 LEU 28 4.693 0.119 6.472 182 HD22 LEU 28 1HD2 LEU 28 4.429 -0.341 4.790 183 HD23 LEU 28 2HD2 LEU 28 3.294 -0.863 6.034 184 H ILE 29 H ILE 29 3.503 4.562 6.687 185 HA ILE 29 HA ILE 29 1.164 3.851 7.979 186 HB ILE 29 HB ILE 29 3.031 6.168 8.356 187 HG12 ILE 29 1HG1 ILE 29 3.328 4.935 10.576 188 HG13 ILE 29 2HG1 ILE 29 2.382 3.635 9.859 189 HG21 ILE 29 1HG2 ILE 29 1.579 6.221 10.635 190 HG22 ILE 29 2HG2 ILE 29 1.315 7.302 9.268 191 HG23 ILE 29 3HG2 ILE 29 0.322 5.856 9.453 192 HD11 ILE 29 3HD1 ILE 29 4.025 3.229 8.212 193 HD12 ILE 29 1HD1 ILE 29 4.891 4.712 8.613 194 HD13 ILE 29 2HD1 ILE 29 4.871 3.366 9.754 195 H SER 30 H SER 30 1.843 6.820 6.146 196 HA SER 30 HA SER 30 -0.550 8.150 6.561 197 HB2 SER 30 1HB SER 30 1.226 9.308 5.465 198 HB3 SER 30 2HB SER 30 1.293 8.116 4.167 199 HG SER 30 HG SER 30 0.117 10.235 3.841 200 H HIS 31 H HIS 31 0.206 5.544 4.333 201 HA HIS 31 HA HIS 31 -2.229 5.692 2.861 202 HB2 HIS 31 1HB HIS 31 -0.377 4.625 1.805 203 HB3 HIS 31 2HB HIS 31 -0.147 3.529 3.164 204 HD1 HIS 31 HD1 HIS 31 -2.574 4.192 0.338 205 HD2 HIS 31 HD2 HIS 31 -1.520 1.169 2.986 206 HE1 HIS 31 HE1 HIS 31 -3.843 2.158 -0.423 207 H GLN 32 H GLN 32 -1.086 3.511 5.434 208 HA GLN 32 HA GLN 32 -3.232 1.852 5.710 209 HB2 GLN 32 1HB GLN 32 -1.689 3.092 7.995 210 HB3 GLN 32 2HB GLN 32 -2.621 1.602 8.063 211 HG2 GLN 32 1HG GLN 32 -1.055 0.787 6.195 212 HG3 GLN 32 2HG GLN 32 -0.027 2.136 6.674 213 HE21 GLN 32 1HE2 GLN 32 -0.588 -1.061 7.122 214 HE22 GLN 32 2HE2 GLN 32 0.141 -1.273 8.673 215 H ARG 33 H ARG 33 -2.975 5.193 6.751 216 HA ARG 33 HA ARG 33 -5.035 5.509 8.493 217 HB2 ARG 33 1HB ARG 33 -4.472 7.349 6.160 218 HB3 ARG 33 2HB ARG 33 -5.299 7.782 7.650 219 HG2 ARG 33 1HG ARG 33 -2.532 6.688 7.793 220 HG3 ARG 33 2HG ARG 33 -2.780 8.366 7.304 221 HD2 ARG 33 1HD ARG 33 -2.617 8.670 9.554 222 HD3 ARG 33 2HD ARG 33 -4.349 8.359 9.441 223 HE ARG 33 HE ARG 33 -3.209 5.896 9.807 224 HH11 ARG 33 1HH1 ARG 33 -3.208 8.920 11.532 225 HH12 ARG 33 2HH1 ARG 33 -3.020 8.182 13.088 226 HH21 ARG 33 1HH2 ARG 33 -2.961 4.913 11.850 227 HH22 ARG 33 2HH2 ARG 33 -2.879 5.903 13.268 228 H THR 34 H THR 34 -5.287 5.156 4.988 229 HA THR 34 HA THR 34 -8.040 5.667 4.748 230 HB THR 34 HB THR 34 -7.932 4.683 2.580 231 HG1 THR 34 HG1 THR 34 -5.408 3.639 2.680 232 HG21 THR 34 3HG2 THR 34 -5.443 5.495 1.934 233 HG22 THR 34 1HG2 THR 34 -5.624 6.278 3.503 234 HG23 THR 34 2HG2 THR 34 -6.785 6.603 2.216 235 H HIS 35 H HIS 35 -6.255 2.760 5.578 236 HA HIS 35 HA HIS 35 -8.477 0.983 5.365 237 HB2 HIS 35 1HB HIS 35 -5.738 0.796 6.580 238 HB3 HIS 35 2HB HIS 35 -6.926 -0.472 6.869 239 HD1 HIS 35 HD1 HIS 35 -7.942 -1.544 4.551 240 HD2 HIS 35 HD2 HIS 35 -4.307 0.453 4.306 241 HE1 HIS 35 HE1 HIS 35 -6.890 -2.324 2.404 242 H ALA 36 H ALA 36 -6.945 2.721 8.041 243 HA ALA 36 HA ALA 36 -8.176 1.683 10.230 244 HB1 ALA 36 3HB ALA 36 -6.887 4.136 9.585 245 HB2 ALA 36 1HB ALA 36 -8.315 4.490 10.558 246 HB3 ALA 36 2HB ALA 36 -7.089 3.375 11.163 247 H GLY 37 H GLY 37 -10.077 2.191 11.436 248 HA2 GLY 37 1HA GLY 37 -12.166 3.616 11.375 249 HA3 GLY 37 2HA GLY 37 -12.307 3.070 9.710 250 H GLU 38 H GLU 38 -13.388 1.236 9.303 251 HA GLU 38 HA GLU 38 -14.908 -0.000 11.319 252 HB2 GLU 38 1HB GLU 38 -14.253 -0.967 8.530 253 HB3 GLU 38 2HB GLU 38 -15.490 -1.662 9.568 254 HG2 GLU 38 1HG GLU 38 -16.765 0.359 9.513 255 HG3 GLU 38 2HG GLU 38 -15.476 1.205 8.660 256 H LYS 39 H LYS 39 -13.533 -0.724 12.951 257 HA LYS 39 HA LYS 39 -11.653 -2.867 12.261 258 HB2 LYS 39 1HB LYS 39 -10.753 -2.550 14.527 259 HB3 LYS 39 2HB LYS 39 -10.734 -1.052 13.606 260 HG2 LYS 39 1HG LYS 39 -13.030 -0.643 14.783 261 HG3 LYS 39 2HG LYS 39 -12.412 -1.820 15.944 262 HD2 LYS 39 1HD LYS 39 -11.768 0.280 16.789 263 HD3 LYS 39 2HD LYS 39 -10.312 -0.385 16.044 264 HE2 LYS 39 1HE LYS 39 -11.011 0.915 13.956 265 HE3 LYS 39 2HE LYS 39 -12.134 1.770 15.012 266 HZ1 LYS 39 3HZ LYS 39 -9.356 2.172 14.680 267 HZ2 LYS 39 1HZ LYS 39 -9.683 1.787 16.295 268 HZ3 LYS 39 2HZ LYS 39 -10.466 3.096 15.563 269 HA PRO 40 HA PRO 40 -14.233 -6.033 13.877 270 HB2 PRO 40 1HB PRO 40 -12.370 -7.771 14.814 271 HB3 PRO 40 2HB PRO 40 -12.675 -7.527 13.090 272 HG2 PRO 40 1HG PRO 40 -10.512 -6.380 14.812 273 HG3 PRO 40 2HG PRO 40 -10.402 -7.045 13.172 274 HD2 PRO 40 1HD PRO 40 -10.487 -4.383 13.662 275 HD3 PRO 40 2HD PRO 40 -11.184 -5.107 12.199 276 H SER 41 H SER 41 -14.386 -7.500 15.925 277 HA SER 41 HA SER 41 -14.050 -5.746 18.265 278 HB2 SER 41 1HB SER 41 -16.392 -6.411 17.566 279 HB3 SER 41 2HB SER 41 -15.972 -8.065 18.010 280 HG SER 41 HG SER 41 -16.333 -5.815 19.637 281 H GLY 42 H GLY 42 -14.302 -9.250 17.606 282 HA2 GLY 42 1HA GLY 42 -13.241 -10.325 19.835 283 HA3 GLY 42 2HA GLY 42 -12.872 -10.961 18.239 284 HA PRO 43 HA PRO 43 -9.173 -8.751 20.433 285 HB2 PRO 43 1HB PRO 43 -8.236 -10.686 22.091 286 HB3 PRO 43 2HB PRO 43 -9.390 -9.451 22.610 287 HG2 PRO 43 1HG PRO 43 -9.891 -12.285 21.787 288 HG3 PRO 43 2HG PRO 43 -10.587 -11.373 23.139 289 HD2 PRO 43 1HD PRO 43 -11.916 -11.773 20.813 290 HD3 PRO 43 2HD PRO 43 -12.124 -10.307 21.792 291 H SER 44 H SER 44 -7.575 -8.839 18.997 292 HA SER 44 HA SER 44 -6.867 -11.430 17.808 293 HB2 SER 44 1HB SER 44 -7.523 -9.676 16.218 294 HB3 SER 44 2HB SER 44 -6.256 -8.623 16.847 295 HG SER 44 HG SER 44 -4.936 -10.697 16.260 296 H SER 45 H SER 45 -5.366 -8.477 19.102 297 HA SER 45 HA SER 45 -2.753 -9.686 19.183 298 HB2 SER 45 1HB SER 45 -3.890 -7.030 19.989 299 HB3 SER 45 2HB SER 45 -2.291 -7.506 20.561 300 HG SER 45 HG SER 45 -1.529 -7.439 18.549 301 H GLY 46 H GLY 46 -2.717 -11.412 20.556 302 HA2 GLY 46 1HA GLY 46 -3.684 -11.015 23.303 303 HA3 GLY 46 2HA GLY 46 -3.335 -12.566 22.553 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -7.037 -17.815 -12.453 2 HA2 GLY 1 1HA GLY 1 -5.308 -17.406 -14.217 3 HA3 GLY 1 2HA GLY 1 -6.379 -16.138 -14.797 4 H SER 2 H SER 2 -5.230 -17.050 -11.551 5 HA SER 2 HA SER 2 -4.780 -14.261 -10.920 6 HB2 SER 2 1HB SER 2 -4.115 -15.184 -8.672 7 HB3 SER 2 2HB SER 2 -5.752 -15.601 -9.178 8 HG SER 2 HG SER 2 -3.955 -17.439 -10.030 9 H SER 3 H SER 3 -2.837 -13.268 -10.604 10 HA SER 3 HA SER 3 -0.419 -14.850 -11.180 11 HB2 SER 3 1HB SER 3 0.481 -12.766 -12.291 12 HB3 SER 3 2HB SER 3 -0.844 -13.551 -13.149 13 HG SER 3 HG SER 3 -1.424 -11.526 -11.299 14 H GLY 4 H GLY 4 1.609 -13.732 -10.436 15 HA2 GLY 4 1HA GLY 4 1.370 -11.772 -8.343 16 HA3 GLY 4 2HA GLY 4 1.692 -13.389 -7.733 17 H SER 5 H SER 5 3.412 -14.366 -9.655 18 HA SER 5 HA SER 5 5.885 -13.733 -8.838 19 HB2 SER 5 1HB SER 5 5.115 -15.424 -10.658 20 HB3 SER 5 2HB SER 5 5.465 -14.118 -11.790 21 HG SER 5 HG SER 5 7.589 -14.061 -10.642 22 H SER 6 H SER 6 7.036 -11.937 -8.693 23 HA SER 6 HA SER 6 7.100 -10.040 -10.886 24 HB2 SER 6 1HB SER 6 5.891 -9.425 -8.213 25 HB3 SER 6 2HB SER 6 6.748 -8.157 -9.090 26 HG SER 6 HG SER 6 4.391 -8.420 -9.477 27 H GLY 7 H GLY 7 8.762 -8.345 -10.541 28 HA2 GLY 7 1HA GLY 7 11.116 -9.543 -9.364 29 HA3 GLY 7 2HA GLY 7 11.053 -8.047 -10.286 30 H THR 8 H THR 8 11.928 -9.151 -7.420 31 HA THR 8 HA THR 8 10.716 -7.804 -5.393 32 HB THR 8 HB THR 8 12.872 -7.702 -4.235 33 HG1 THR 8 HG1 THR 8 14.082 -7.079 -6.174 34 HG21 THR 8 3HG2 THR 8 11.781 -9.847 -4.261 35 HG22 THR 8 1HG2 THR 8 13.513 -10.102 -4.470 36 HG23 THR 8 2HG2 THR 8 12.432 -10.209 -5.859 37 H GLY 9 H GLY 9 10.255 -5.749 -4.966 38 HA2 GLY 9 1HA GLY 9 11.509 -3.657 -6.576 39 HA3 GLY 9 2HA GLY 9 10.070 -3.482 -5.582 40 H GLU 10 H GLU 10 11.688 -1.473 -5.304 41 HA GLU 10 HA GLU 10 13.513 -2.010 -3.077 42 HB2 GLU 10 1HB GLU 10 13.120 0.540 -4.653 43 HB3 GLU 10 2HB GLU 10 14.380 0.234 -3.466 44 HG2 GLU 10 1HG GLU 10 15.140 -1.661 -4.956 45 HG3 GLU 10 2HG GLU 10 14.051 -1.007 -6.178 46 H ASN 11 H ASN 11 10.889 -2.311 -2.379 47 HA ASN 11 HA ASN 11 10.376 0.094 -0.756 48 HB2 ASN 11 1HB ASN 11 8.336 -1.804 -1.939 49 HB3 ASN 11 2HB ASN 11 7.967 -0.460 -0.863 50 HD21 ASN 11 1HD2 ASN 11 9.087 1.658 -1.680 51 HD22 ASN 11 2HD2 ASN 11 8.799 2.015 -3.345 52 HA PRO 12 HA PRO 12 11.216 -3.268 2.223 53 HB2 PRO 12 1HB PRO 12 12.160 -1.601 4.146 54 HB3 PRO 12 2HB PRO 12 13.161 -2.201 2.819 55 HG2 PRO 12 1HG PRO 12 11.779 0.439 3.106 56 HG3 PRO 12 2HG PRO 12 13.414 0.091 2.514 57 HD2 PRO 12 1HD PRO 12 11.338 0.592 0.850 58 HD3 PRO 12 2HD PRO 12 12.663 -0.508 0.418 59 H TYR 13 H TYR 13 9.044 -0.713 2.052 60 HA TYR 13 HA TYR 13 7.724 -1.568 4.545 61 HB2 TYR 13 1HB TYR 13 7.501 1.152 3.243 62 HB3 TYR 13 2HB TYR 13 6.812 0.660 4.787 63 HD1 TYR 13 HD1 TYR 13 8.256 0.347 6.749 64 HD2 TYR 13 HD2 TYR 13 9.826 1.740 3.048 65 HE1 TYR 13 HE1 TYR 13 10.293 1.101 7.903 66 HE2 TYR 13 HE2 TYR 13 11.868 2.496 4.192 67 HH TYR 13 HH TYR 13 12.621 3.112 6.397 68 H GLU 14 H GLU 14 6.085 -2.859 4.026 69 HA GLU 14 HA GLU 14 4.357 -2.074 1.772 70 HB2 GLU 14 1HB GLU 14 5.474 -4.718 2.546 71 HB3 GLU 14 2HB GLU 14 3.827 -4.691 1.931 72 HG2 GLU 14 1HG GLU 14 4.466 -4.089 -0.166 73 HG3 GLU 14 2HG GLU 14 5.897 -3.228 0.395 74 H CYS 15 H CYS 15 2.138 -2.266 2.037 75 HA CYS 15 HA CYS 15 1.202 -2.023 4.734 76 HB2 CYS 15 1HB CYS 15 0.268 -0.718 2.822 77 HB3 CYS 15 2HB CYS 15 -0.415 -2.210 2.185 78 H HIS 16 H HIS 16 0.561 -3.605 6.028 79 HA HIS 16 HA HIS 16 0.275 -6.295 4.997 80 HB2 HIS 16 1HB HIS 16 0.057 -6.928 7.382 81 HB3 HIS 16 2HB HIS 16 1.509 -5.981 7.068 82 HD1 HIS 16 HD1 HIS 16 1.914 -4.308 8.826 83 HD2 HIS 16 HD2 HIS 16 -2.147 -4.989 8.268 84 HE1 HIS 16 HE1 HIS 16 0.749 -2.826 10.490 85 H GLU 17 H GLU 17 -1.724 -4.320 4.236 86 HA GLU 17 HA GLU 17 -4.099 -5.650 5.359 87 HB2 GLU 17 1HB GLU 17 -3.918 -2.743 4.548 88 HB3 GLU 17 2HB GLU 17 -5.334 -3.556 5.201 89 HG2 GLU 17 1HG GLU 17 -3.886 -4.039 7.250 90 HG3 GLU 17 2HG GLU 17 -2.786 -2.827 6.595 91 H CYS 18 H CYS 18 -2.859 -3.752 2.620 92 HA CYS 18 HA CYS 18 -4.742 -5.193 0.872 93 HB2 CYS 18 1HB CYS 18 -4.550 -3.316 -0.684 94 HB3 CYS 18 2HB CYS 18 -5.070 -2.755 0.902 95 H GLY 19 H GLY 19 -1.434 -3.897 1.035 96 HA2 GLY 19 1HA GLY 19 0.288 -5.634 0.434 97 HA3 GLY 19 2HA GLY 19 -0.668 -5.878 -1.020 98 H LYS 20 H LYS 20 -0.389 -2.664 0.185 99 HA LYS 20 HA LYS 20 0.879 -1.781 -2.218 100 HB2 LYS 20 1HB LYS 20 -0.791 -0.561 -0.559 101 HB3 LYS 20 2HB LYS 20 0.707 -0.025 0.189 102 HG2 LYS 20 1HG LYS 20 1.277 1.301 -1.568 103 HG3 LYS 20 2HG LYS 20 0.448 0.283 -2.749 104 HD2 LYS 20 1HD LYS 20 -1.683 1.115 -1.402 105 HD3 LYS 20 2HD LYS 20 -0.612 2.469 -1.037 106 HE2 LYS 20 1HE LYS 20 -2.018 2.824 -3.052 107 HE3 LYS 20 2HE LYS 20 -0.287 2.916 -3.373 108 HZ1 LYS 20 3HZ LYS 20 -2.051 1.412 -4.759 109 HZ2 LYS 20 1HZ LYS 20 -1.384 0.276 -3.697 110 HZ3 LYS 20 2HZ LYS 20 -0.378 1.162 -4.727 111 H ALA 21 H ALA 21 2.762 -0.124 -1.949 112 HA ALA 21 HA ALA 21 4.744 -1.047 -0.007 113 HB1 ALA 21 3HB ALA 21 4.832 -1.568 -2.881 114 HB2 ALA 21 1HB ALA 21 6.295 -0.814 -2.247 115 HB3 ALA 21 2HB ALA 21 5.715 -2.332 -1.560 116 H PHE 22 H PHE 22 6.375 0.451 0.453 117 HA PHE 22 HA PHE 22 6.283 3.035 -0.902 118 HB2 PHE 22 1HB PHE 22 6.105 2.852 2.107 119 HB3 PHE 22 2HB PHE 22 5.994 4.301 1.113 120 HD1 PHE 22 HD2 PHE 22 4.287 1.044 1.691 121 HD2 PHE 22 HD1 PHE 22 3.919 5.123 0.532 122 HE1 PHE 22 HE2 PHE 22 1.840 0.798 1.615 123 HE2 PHE 22 HE1 PHE 22 1.471 4.884 0.455 124 HZ PHE 22 HZ PHE 22 0.429 2.719 0.996 125 H SER 23 H SER 23 8.128 4.390 -0.437 126 HA SER 23 HA SER 23 10.540 2.874 -0.241 127 HB2 SER 23 1HB SER 23 9.992 5.116 -1.542 128 HB3 SER 23 2HB SER 23 10.559 5.857 -0.046 129 HG SER 23 HG SER 23 12.400 5.606 -1.116 130 H ARG 24 H ARG 24 9.064 5.396 1.792 131 HA ARG 24 HA ARG 24 10.911 4.662 3.954 132 HB2 ARG 24 1HB ARG 24 9.069 7.028 4.045 133 HB3 ARG 24 2HB ARG 24 10.607 6.790 4.864 134 HG2 ARG 24 1HG ARG 24 11.519 6.754 2.388 135 HG3 ARG 24 2HG ARG 24 10.048 7.683 2.091 136 HD2 ARG 24 1HD ARG 24 11.667 9.305 2.545 137 HD3 ARG 24 2HD ARG 24 10.790 9.133 4.065 138 HE ARG 24 HE ARG 24 12.690 8.286 5.036 139 HH11 ARG 24 1HH1 ARG 24 13.087 8.372 1.578 140 HH12 ARG 24 2HH1 ARG 24 14.777 7.995 1.632 141 HH21 ARG 24 1HH2 ARG 24 14.915 7.788 5.120 142 HH22 ARG 24 2HH2 ARG 24 15.815 7.662 3.647 143 H LYS 25 H LYS 25 9.925 4.841 6.200 144 HA LYS 25 HA LYS 25 7.819 2.954 6.414 145 HB2 LYS 25 1HB LYS 25 9.530 3.091 8.125 146 HB3 LYS 25 2HB LYS 25 9.090 4.755 8.483 147 HG2 LYS 25 1HG LYS 25 8.076 3.604 10.196 148 HG3 LYS 25 2HG LYS 25 6.760 3.758 9.029 149 HD2 LYS 25 1HD LYS 25 7.365 1.483 8.176 150 HD3 LYS 25 2HD LYS 25 8.503 1.346 9.519 151 HE2 LYS 25 1HE LYS 25 5.514 1.707 9.709 152 HE3 LYS 25 2HE LYS 25 6.426 0.247 10.089 153 HZ1 LYS 25 3HZ LYS 25 6.776 0.994 12.130 154 HZ2 LYS 25 1HZ LYS 25 5.780 2.322 11.804 155 HZ3 LYS 25 2HZ LYS 25 7.449 2.435 11.554 156 H TYR 26 H TYR 26 7.985 6.450 7.033 157 HA TYR 26 HA TYR 26 5.352 6.799 7.902 158 HB2 TYR 26 1HB TYR 26 5.794 9.044 7.847 159 HB3 TYR 26 2HB TYR 26 7.444 8.440 7.749 160 HD1 TYR 26 HD1 TYR 26 8.632 8.436 5.574 161 HD2 TYR 26 HD2 TYR 26 4.793 10.215 6.022 162 HE1 TYR 26 HE1 TYR 26 8.959 9.659 3.465 163 HE2 TYR 26 HE2 TYR 26 5.109 11.443 3.914 164 HH TYR 26 HH TYR 26 6.544 11.972 2.289 165 H GLN 27 H GLN 27 6.732 6.803 4.653 166 HA GLN 27 HA GLN 27 4.575 7.732 3.194 167 HB2 GLN 27 1HB GLN 27 6.626 5.632 2.489 168 HB3 GLN 27 2HB GLN 27 5.479 6.293 1.331 169 HG2 GLN 27 1HG GLN 27 6.410 8.568 1.893 170 HG3 GLN 27 2HG GLN 27 7.691 7.729 2.765 171 HE21 GLN 27 1HE2 GLN 27 8.774 9.148 1.008 172 HE22 GLN 27 2HE2 GLN 27 9.164 8.323 -0.459 173 H LEU 28 H LEU 28 5.010 4.675 4.779 174 HA LEU 28 HA LEU 28 2.786 3.426 3.400 175 HB2 LEU 28 1HB LEU 28 4.403 1.862 3.895 176 HB3 LEU 28 2HB LEU 28 4.765 2.580 5.464 177 HG LEU 28 HG LEU 28 2.834 1.586 6.449 178 HD11 LEU 28 1HD1 LEU 28 1.019 1.499 5.145 179 HD12 LEU 28 2HD1 LEU 28 1.638 -0.075 4.648 180 HD13 LEU 28 3HD1 LEU 28 1.969 1.351 3.666 181 HD21 LEU 28 3HD2 LEU 28 3.223 -0.889 5.699 182 HD22 LEU 28 1HD2 LEU 28 4.496 -0.001 6.537 183 HD23 LEU 28 2HD2 LEU 28 4.560 -0.190 4.785 184 H ILE 29 H ILE 29 3.528 4.571 6.679 185 HA ILE 29 HA ILE 29 1.198 3.887 7.977 186 HB ILE 29 HB ILE 29 3.062 6.209 8.313 187 HG12 ILE 29 1HG1 ILE 29 3.215 4.993 10.613 188 HG13 ILE 29 2HG1 ILE 29 2.425 3.663 9.774 189 HG21 ILE 29 1HG2 ILE 29 1.667 6.452 10.552 190 HG22 ILE 29 2HG2 ILE 29 1.246 7.343 9.091 191 HG23 ILE 29 3HG2 ILE 29 0.368 5.873 9.511 192 HD11 ILE 29 3HD1 ILE 29 4.920 4.928 8.708 193 HD12 ILE 29 1HD1 ILE 29 4.967 3.644 9.916 194 HD13 ILE 29 2HD1 ILE 29 4.235 3.346 8.339 195 H SER 30 H SER 30 1.845 6.877 6.157 196 HA SER 30 HA SER 30 -0.559 8.174 6.543 197 HB2 SER 30 1HB SER 30 1.383 9.170 5.384 198 HB3 SER 30 2HB SER 30 1.074 8.132 3.992 199 HG SER 30 HG SER 30 -1.186 9.246 4.347 200 H HIS 31 H HIS 31 0.199 5.522 4.380 201 HA HIS 31 HA HIS 31 -2.250 5.641 2.914 202 HB2 HIS 31 1HB HIS 31 -0.402 4.592 1.838 203 HB3 HIS 31 2HB HIS 31 -0.127 3.516 3.204 204 HD1 HIS 31 HD1 HIS 31 -2.514 4.065 0.337 205 HD2 HIS 31 HD2 HIS 31 -1.558 1.163 3.153 206 HE1 HIS 31 HE1 HIS 31 -3.781 2.007 -0.360 207 H GLN 32 H GLN 32 -1.050 3.549 5.529 208 HA GLN 32 HA GLN 32 -3.153 1.832 5.837 209 HB2 GLN 32 1HB GLN 32 -1.617 3.156 8.079 210 HB3 GLN 32 2HB GLN 32 -2.535 1.661 8.202 211 HG2 GLN 32 1HG GLN 32 -0.978 0.807 6.340 212 HG3 GLN 32 2HG GLN 32 0.045 2.173 6.782 213 HE21 GLN 32 1HE2 GLN 32 -0.398 -1.008 7.263 214 HE22 GLN 32 2HE2 GLN 32 0.301 -1.183 8.833 215 H ARG 33 H ARG 33 -3.046 5.221 6.602 216 HA ARG 33 HA ARG 33 -5.118 5.492 8.407 217 HB2 ARG 33 1HB ARG 33 -4.577 7.358 6.092 218 HB3 ARG 33 2HB ARG 33 -5.360 7.762 7.614 219 HG2 ARG 33 1HG ARG 33 -2.487 6.923 7.278 220 HG3 ARG 33 2HG ARG 33 -3.066 8.568 7.549 221 HD2 ARG 33 1HD ARG 33 -4.218 7.415 9.640 222 HD3 ARG 33 2HD ARG 33 -2.889 6.275 9.429 223 HE ARG 33 HE ARG 33 -1.412 7.898 10.125 224 HH11 ARG 33 1HH1 ARG 33 -4.546 9.308 9.564 225 HH12 ARG 33 2HH1 ARG 33 -4.140 10.824 10.297 226 HH21 ARG 33 1HH2 ARG 33 -0.866 9.890 11.094 227 HH22 ARG 33 2HH2 ARG 33 -2.047 11.154 11.167 228 H THR 34 H THR 34 -5.257 5.017 4.925 229 HA THR 34 HA THR 34 -7.982 5.561 4.537 230 HB THR 34 HB THR 34 -7.811 4.347 2.457 231 HG1 THR 34 HG1 THR 34 -6.543 2.574 3.486 232 HG21 THR 34 3HG2 THR 34 -5.403 5.268 1.762 233 HG22 THR 34 1HG2 THR 34 -5.584 6.119 3.295 234 HG23 THR 34 2HG2 THR 34 -6.784 6.334 2.021 235 H HIS 35 H HIS 35 -6.306 2.670 5.616 236 HA HIS 35 HA HIS 35 -8.546 0.924 5.414 237 HB2 HIS 35 1HB HIS 35 -5.890 0.782 6.809 238 HB3 HIS 35 2HB HIS 35 -7.116 -0.448 7.098 239 HD1 HIS 35 HD1 HIS 35 -8.005 -1.641 4.780 240 HD2 HIS 35 HD2 HIS 35 -4.314 0.264 4.670 241 HE1 HIS 35 HE1 HIS 35 -6.827 -2.573 2.763 242 H ALA 36 H ALA 36 -7.237 2.971 7.960 243 HA ALA 36 HA ALA 36 -8.633 2.045 10.157 244 HB1 ALA 36 3HB ALA 36 -7.517 3.721 11.084 245 HB2 ALA 36 1HB ALA 36 -7.131 4.363 9.487 246 HB3 ALA 36 2HB ALA 36 -8.605 4.874 10.311 247 H GLY 37 H GLY 37 -10.529 2.971 11.243 248 HA2 GLY 37 1HA GLY 37 -12.457 4.610 10.573 249 HA3 GLY 37 2HA GLY 37 -12.672 3.424 9.295 250 H GLU 38 H GLU 38 -11.694 1.404 11.453 251 HA GLU 38 HA GLU 38 -14.382 0.952 12.544 252 HB2 GLU 38 1HB GLU 38 -12.053 -0.941 12.183 253 HB3 GLU 38 2HB GLU 38 -13.590 -1.380 12.914 254 HG2 GLU 38 1HG GLU 38 -13.281 -0.354 10.104 255 HG3 GLU 38 2HG GLU 38 -13.362 -2.059 10.543 256 H LYS 39 H LYS 39 -14.125 -0.513 14.674 257 HA LYS 39 HA LYS 39 -12.394 1.029 16.495 258 HB2 LYS 39 1HB LYS 39 -14.042 0.844 18.196 259 HB3 LYS 39 2HB LYS 39 -14.890 1.345 16.739 260 HG2 LYS 39 1HG LYS 39 -14.723 -1.561 17.312 261 HG3 LYS 39 2HG LYS 39 -15.801 -0.577 18.305 262 HD2 LYS 39 1HD LYS 39 -15.911 -0.219 15.356 263 HD3 LYS 39 2HD LYS 39 -16.605 -1.693 16.035 264 HE2 LYS 39 1HE LYS 39 -18.435 -0.338 16.140 265 HE3 LYS 39 2HE LYS 39 -17.713 0.036 17.705 266 HZ1 LYS 39 3HZ LYS 39 -17.246 2.118 17.078 267 HZ2 LYS 39 1HZ LYS 39 -18.405 1.867 15.871 268 HZ3 LYS 39 2HZ LYS 39 -16.762 1.669 15.520 269 HA PRO 40 HA PRO 40 -10.384 -2.705 17.650 270 HB2 PRO 40 1HB PRO 40 -9.643 -2.083 20.186 271 HB3 PRO 40 2HB PRO 40 -8.867 -1.384 18.760 272 HG2 PRO 40 1HG PRO 40 -10.981 -0.216 20.529 273 HG3 PRO 40 2HG PRO 40 -9.538 0.558 19.848 274 HD2 PRO 40 1HD PRO 40 -12.006 0.884 18.783 275 HD3 PRO 40 2HD PRO 40 -10.531 0.890 17.795 276 H SER 41 H SER 41 -10.257 -4.187 19.733 277 HA SER 41 HA SER 41 -12.925 -5.158 20.148 278 HB2 SER 41 1HB SER 41 -11.833 -6.960 21.425 279 HB3 SER 41 2HB SER 41 -11.047 -6.715 19.866 280 HG SER 41 HG SER 41 -9.849 -6.778 22.127 281 H GLY 42 H GLY 42 -13.050 -2.712 21.160 282 HA2 GLY 42 1HA GLY 42 -13.893 -3.092 23.812 283 HA3 GLY 42 2HA GLY 42 -12.299 -2.354 23.843 284 HA PRO 43 HA PRO 43 -15.894 0.708 22.895 285 HB2 PRO 43 1HB PRO 43 -16.620 1.457 25.402 286 HB3 PRO 43 2HB PRO 43 -17.409 0.140 24.526 287 HG2 PRO 43 1HG PRO 43 -15.289 0.009 26.635 288 HG3 PRO 43 2HG PRO 43 -16.740 -0.993 26.443 289 HD2 PRO 43 1HD PRO 43 -14.280 -1.830 25.679 290 HD3 PRO 43 2HD PRO 43 -15.762 -2.323 24.835 291 H SER 44 H SER 44 -14.366 2.141 22.160 292 HA SER 44 HA SER 44 -13.107 3.837 24.207 293 HB2 SER 44 1HB SER 44 -11.333 2.461 23.337 294 HB3 SER 44 2HB SER 44 -11.837 2.774 21.676 295 HG SER 44 HG SER 44 -10.011 4.046 22.488 296 H SER 45 H SER 45 -12.710 6.023 23.567 297 HA SER 45 HA SER 45 -13.818 6.970 21.067 298 HB2 SER 45 1HB SER 45 -15.475 8.441 22.066 299 HB3 SER 45 2HB SER 45 -15.807 6.778 22.551 300 HG SER 45 HG SER 45 -15.615 8.748 24.155 301 H GLY 46 H GLY 46 -12.454 8.462 20.358 302 HA2 GLY 46 1HA GLY 46 -11.572 10.625 22.027 303 HA3 GLY 46 2HA GLY 46 -10.283 9.487 21.667 Start of MODEL 9 1 H1 GLY 1 H GLY 1 12.077 -16.756 -11.798 2 HA2 GLY 1 1HA GLY 1 9.542 -16.063 -11.348 3 HA3 GLY 1 2HA GLY 1 10.200 -15.951 -9.722 4 H SER 2 H SER 2 10.414 -14.673 -12.994 5 HA SER 2 HA SER 2 12.299 -12.637 -12.412 6 HB2 SER 2 1HB SER 2 11.925 -13.360 -14.704 7 HB3 SER 2 2HB SER 2 10.242 -12.839 -14.624 8 HG SER 2 HG SER 2 11.810 -10.797 -13.928 9 H SER 3 H SER 3 11.877 -11.226 -10.823 10 HA SER 3 HA SER 3 9.243 -9.908 -10.803 11 HB2 SER 3 1HB SER 3 9.564 -11.021 -8.718 12 HB3 SER 3 2HB SER 3 11.219 -10.430 -8.579 13 HG SER 3 HG SER 3 8.798 -9.039 -8.227 14 H GLY 4 H GLY 4 9.197 -7.626 -10.257 15 HA2 GLY 4 1HA GLY 4 11.198 -6.166 -11.699 16 HA3 GLY 4 2HA GLY 4 9.811 -5.485 -10.862 17 H SER 5 H SER 5 13.076 -6.752 -10.395 18 HA SER 5 HA SER 5 13.388 -4.889 -8.148 19 HB2 SER 5 1HB SER 5 14.194 -7.806 -8.153 20 HB3 SER 5 2HB SER 5 14.724 -6.637 -6.943 21 HG SER 5 HG SER 5 12.234 -7.812 -7.318 22 H SER 6 H SER 6 14.963 -3.534 -8.653 23 HA SER 6 HA SER 6 17.357 -4.586 -9.999 24 HB2 SER 6 1HB SER 6 15.945 -1.984 -10.634 25 HB3 SER 6 2HB SER 6 17.501 -2.479 -11.301 26 HG SER 6 HG SER 6 16.069 -4.484 -11.850 27 H GLY 7 H GLY 7 18.302 -4.662 -7.889 28 HA2 GLY 7 1HA GLY 7 19.368 -3.798 -6.028 29 HA3 GLY 7 2HA GLY 7 20.039 -2.694 -7.219 30 H THR 8 H THR 8 19.424 -0.587 -7.220 31 HA THR 8 HA THR 8 18.084 0.385 -4.880 32 HB THR 8 HB THR 8 18.440 2.635 -5.884 33 HG1 THR 8 HG1 THR 8 19.363 2.820 -7.873 34 HG21 THR 8 3HG2 THR 8 21.109 1.679 -6.289 35 HG22 THR 8 1HG2 THR 8 20.370 0.801 -4.951 36 HG23 THR 8 2HG2 THR 8 20.445 2.563 -4.916 37 H GLY 9 H GLY 9 15.945 -0.254 -4.923 38 HA2 GLY 9 1HA GLY 9 14.016 1.352 -5.949 39 HA3 GLY 9 2HA GLY 9 14.299 0.204 -7.249 40 H GLU 10 H GLU 10 14.421 -0.427 -3.774 41 HA GLU 10 HA GLU 10 12.179 -2.305 -4.136 42 HB2 GLU 10 1HB GLU 10 14.267 -3.443 -3.605 43 HB3 GLU 10 2HB GLU 10 14.490 -2.423 -2.191 44 HG2 GLU 10 1HG GLU 10 12.546 -3.390 -1.138 45 HG3 GLU 10 2HG GLU 10 12.208 -4.346 -2.579 46 H ASN 11 H ASN 11 10.628 -2.490 -2.473 47 HA ASN 11 HA ASN 11 10.450 -0.098 -0.767 48 HB2 ASN 11 1HB ASN 11 8.187 -1.897 -1.657 49 HB3 ASN 11 2HB ASN 11 8.047 -0.350 -0.828 50 HD21 ASN 11 1HD2 ASN 11 8.221 1.526 -1.971 51 HD22 ASN 11 2HD2 ASN 11 8.315 1.584 -3.695 52 HA PRO 12 HA PRO 12 11.190 -3.347 2.334 53 HB2 PRO 12 1HB PRO 12 12.141 -1.626 4.206 54 HB3 PRO 12 2HB PRO 12 13.141 -2.275 2.900 55 HG2 PRO 12 1HG PRO 12 11.777 0.383 3.099 56 HG3 PRO 12 2HG PRO 12 13.411 0.004 2.523 57 HD2 PRO 12 1HD PRO 12 11.342 0.466 0.838 58 HD3 PRO 12 2HD PRO 12 12.661 -0.656 0.446 59 H TYR 13 H TYR 13 9.034 -0.789 2.073 60 HA TYR 13 HA TYR 13 7.690 -1.572 4.576 61 HB2 TYR 13 1HB TYR 13 7.525 1.137 3.244 62 HB3 TYR 13 2HB TYR 13 6.825 0.675 4.792 63 HD1 TYR 13 HD1 TYR 13 8.298 0.273 6.744 64 HD2 TYR 13 HD2 TYR 13 9.822 1.765 3.062 65 HE1 TYR 13 HE1 TYR 13 10.347 1.002 7.894 66 HE2 TYR 13 HE2 TYR 13 11.875 2.497 4.201 67 HH TYR 13 HH TYR 13 12.614 1.566 7.436 68 H GLU 14 H GLU 14 6.184 -2.985 3.885 69 HA GLU 14 HA GLU 14 4.409 -2.115 1.698 70 HB2 GLU 14 1HB GLU 14 5.558 -4.767 2.395 71 HB3 GLU 14 2HB GLU 14 3.913 -4.742 1.776 72 HG2 GLU 14 1HG GLU 14 4.550 -4.069 -0.300 73 HG3 GLU 14 2HG GLU 14 5.968 -3.207 0.292 74 H CYS 15 H CYS 15 2.222 -2.178 2.002 75 HA CYS 15 HA CYS 15 1.260 -2.040 4.666 76 HB2 CYS 15 1HB CYS 15 0.325 -0.847 2.615 77 HB3 CYS 15 2HB CYS 15 -0.447 -2.374 2.201 78 H HIS 16 H HIS 16 0.519 -3.581 5.970 79 HA HIS 16 HA HIS 16 0.375 -6.311 4.982 80 HB2 HIS 16 1HB HIS 16 0.240 -6.954 7.326 81 HB3 HIS 16 2HB HIS 16 1.564 -5.816 7.094 82 HD1 HIS 16 HD1 HIS 16 0.357 -6.195 9.876 83 HD2 HIS 16 HD2 HIS 16 -0.908 -3.293 7.184 84 HE1 HIS 16 HE1 HIS 16 -0.722 -4.405 11.274 85 H GLU 17 H GLU 17 -1.682 -4.232 4.332 86 HA GLU 17 HA GLU 17 -4.029 -5.683 5.367 87 HB2 GLU 17 1HB GLU 17 -3.913 -2.764 4.590 88 HB3 GLU 17 2HB GLU 17 -5.309 -3.617 5.233 89 HG2 GLU 17 1HG GLU 17 -3.812 -4.094 7.269 90 HG3 GLU 17 2HG GLU 17 -2.794 -2.804 6.631 91 H CYS 18 H CYS 18 -2.820 -3.719 2.660 92 HA CYS 18 HA CYS 18 -4.682 -5.151 0.885 93 HB2 CYS 18 1HB CYS 18 -4.406 -3.265 -0.672 94 HB3 CYS 18 2HB CYS 18 -5.007 -2.729 0.893 95 H GLY 19 H GLY 19 -1.360 -3.895 1.078 96 HA2 GLY 19 1HA GLY 19 0.366 -5.616 0.494 97 HA3 GLY 19 2HA GLY 19 -0.597 -5.909 -0.946 98 H LYS 20 H LYS 20 -0.239 -2.673 0.240 99 HA LYS 20 HA LYS 20 0.978 -1.845 -2.222 100 HB2 LYS 20 1HB LYS 20 -0.708 -0.512 -0.879 101 HB3 LYS 20 2HB LYS 20 0.586 -0.180 0.265 102 HG2 LYS 20 1HG LYS 20 1.711 1.193 -1.195 103 HG3 LYS 20 2HG LYS 20 0.996 0.439 -2.622 104 HD2 LYS 20 1HD LYS 20 -0.698 1.966 -0.676 105 HD3 LYS 20 2HD LYS 20 0.210 2.803 -1.937 106 HE2 LYS 20 1HE LYS 20 -1.536 0.478 -2.637 107 HE3 LYS 20 2HE LYS 20 -2.250 2.068 -2.375 108 HZ1 LYS 20 3HZ LYS 20 -0.568 2.896 -4.043 109 HZ2 LYS 20 1HZ LYS 20 -1.811 1.928 -4.660 110 HZ3 LYS 20 2HZ LYS 20 -0.268 1.276 -4.425 111 H ALA 21 H ALA 21 2.859 -0.176 -2.003 112 HA ALA 21 HA ALA 21 4.858 -1.085 -0.066 113 HB1 ALA 21 3HB ALA 21 6.371 -0.782 -2.337 114 HB2 ALA 21 1HB ALA 21 5.859 -2.317 -1.636 115 HB3 ALA 21 2HB ALA 21 4.919 -1.584 -2.936 116 H PHE 22 H PHE 22 6.370 0.449 0.512 117 HA PHE 22 HA PHE 22 6.281 3.047 -0.834 118 HB2 PHE 22 1HB PHE 22 6.103 2.813 2.172 119 HB3 PHE 22 2HB PHE 22 5.957 4.272 1.197 120 HD1 PHE 22 HD2 PHE 22 4.334 0.942 1.621 121 HD2 PHE 22 HD1 PHE 22 3.856 5.079 0.743 122 HE1 PHE 22 HE2 PHE 22 1.894 0.640 1.545 123 HE2 PHE 22 HE1 PHE 22 1.414 4.784 0.667 124 HZ PHE 22 HZ PHE 22 0.430 2.562 1.067 125 H SER 23 H SER 23 8.127 4.365 -0.475 126 HA SER 23 HA SER 23 10.549 2.903 -0.258 127 HB2 SER 23 1HB SER 23 9.966 5.164 -1.511 128 HB3 SER 23 2HB SER 23 10.530 5.881 -0.002 129 HG SER 23 HG SER 23 12.259 5.643 -1.427 130 H ARG 24 H ARG 24 9.064 5.380 1.826 131 HA ARG 24 HA ARG 24 10.905 4.590 3.975 132 HB2 ARG 24 1HB ARG 24 9.116 6.993 4.104 133 HB3 ARG 24 2HB ARG 24 10.654 6.712 4.910 134 HG2 ARG 24 1HG ARG 24 11.539 6.687 2.417 135 HG3 ARG 24 2HG ARG 24 10.095 7.670 2.162 136 HD2 ARG 24 1HD ARG 24 11.843 9.189 2.618 137 HD3 ARG 24 2HD ARG 24 10.884 9.095 4.095 138 HE ARG 24 HE ARG 24 12.670 8.115 5.168 139 HH11 ARG 24 1HH1 ARG 24 13.275 8.254 1.742 140 HH12 ARG 24 2HH1 ARG 24 14.943 7.807 1.886 141 HH21 ARG 24 1HH2 ARG 24 14.864 7.526 5.371 142 HH22 ARG 24 2HH2 ARG 24 15.845 7.392 3.950 143 H LYS 25 H LYS 25 9.917 4.766 6.223 144 HA LYS 25 HA LYS 25 7.784 2.914 6.419 145 HB2 LYS 25 1HB LYS 25 9.495 3.049 8.140 146 HB3 LYS 25 2HB LYS 25 9.035 4.706 8.508 147 HG2 LYS 25 1HG LYS 25 8.038 3.486 10.203 148 HG3 LYS 25 2HG LYS 25 6.722 3.719 9.050 149 HD2 LYS 25 1HD LYS 25 7.400 1.452 8.085 150 HD3 LYS 25 2HD LYS 25 8.356 1.246 9.555 151 HE2 LYS 25 1HE LYS 25 5.405 1.860 9.526 152 HE3 LYS 25 2HE LYS 25 6.073 0.233 9.648 153 HZ1 LYS 25 3HZ LYS 25 5.480 1.245 11.811 154 HZ2 LYS 25 1HZ LYS 25 6.672 2.420 11.563 155 HZ3 LYS 25 2HZ LYS 25 7.107 0.792 11.708 156 H TYR 26 H TYR 26 7.977 6.398 7.116 157 HA TYR 26 HA TYR 26 5.343 6.774 7.936 158 HB2 TYR 26 1HB TYR 26 5.803 9.017 7.884 159 HB3 TYR 26 2HB TYR 26 7.448 8.396 7.809 160 HD1 TYR 26 HD1 TYR 26 8.661 8.370 5.644 161 HD2 TYR 26 HD2 TYR 26 4.845 10.208 6.051 162 HE1 TYR 26 HE1 TYR 26 9.031 9.589 3.540 163 HE2 TYR 26 HE2 TYR 26 5.204 11.431 3.947 164 HH TYR 26 HH TYR 26 8.074 11.881 2.549 165 H GLN 27 H GLN 27 6.746 6.810 4.693 166 HA GLN 27 HA GLN 27 4.615 7.755 3.221 167 HB2 GLN 27 1HB GLN 27 6.646 5.630 2.539 168 HB3 GLN 27 2HB GLN 27 5.506 6.282 1.369 169 HG2 GLN 27 1HG GLN 27 6.478 8.577 2.085 170 HG3 GLN 27 2HG GLN 27 7.823 7.614 2.694 171 HE21 GLN 27 1HE2 GLN 27 8.973 8.931 1.066 172 HE22 GLN 27 2HE2 GLN 27 9.040 8.341 -0.556 173 H LEU 28 H LEU 28 5.008 4.665 4.770 174 HA LEU 28 HA LEU 28 2.764 3.467 3.388 175 HB2 LEU 28 1HB LEU 28 4.387 1.897 3.898 176 HB3 LEU 28 2HB LEU 28 4.686 2.578 5.496 177 HG LEU 28 HG LEU 28 2.604 1.626 6.315 178 HD11 LEU 28 1HD1 LEU 28 2.292 0.593 3.501 179 HD12 LEU 28 2HD1 LEU 28 1.246 1.741 4.336 180 HD13 LEU 28 3HD1 LEU 28 1.325 0.066 4.879 181 HD21 LEU 28 3HD2 LEU 28 3.824 -0.159 6.808 182 HD22 LEU 28 1HD2 LEU 28 4.875 0.155 5.426 183 HD23 LEU 28 2HD2 LEU 28 3.439 -0.851 5.231 184 H ILE 29 H ILE 29 3.502 4.579 6.680 185 HA ILE 29 HA ILE 29 1.167 3.933 7.972 186 HB ILE 29 HB ILE 29 3.040 6.249 8.290 187 HG12 ILE 29 1HG1 ILE 29 3.153 5.053 10.613 188 HG13 ILE 29 2HG1 ILE 29 2.389 3.716 9.760 189 HG21 ILE 29 1HG2 ILE 29 0.403 5.855 9.661 190 HG22 ILE 29 2HG2 ILE 29 1.731 6.706 10.448 191 HG23 ILE 29 3HG2 ILE 29 1.067 7.317 8.933 192 HD11 ILE 29 3HD1 ILE 29 4.943 3.754 9.962 193 HD12 ILE 29 1HD1 ILE 29 4.230 3.376 8.395 194 HD13 ILE 29 2HD1 ILE 29 4.879 4.987 8.703 195 H SER 30 H SER 30 1.825 6.922 6.152 196 HA SER 30 HA SER 30 -0.577 8.221 6.514 197 HB2 SER 30 1HB SER 30 1.483 9.067 5.287 198 HB3 SER 30 2HB SER 30 0.897 8.187 3.876 199 HG SER 30 HG SER 30 -1.161 9.478 4.495 200 H HIS 31 H HIS 31 0.193 5.594 4.308 201 HA HIS 31 HA HIS 31 -2.255 5.694 2.857 202 HB2 HIS 31 1HB HIS 31 -0.416 4.624 1.793 203 HB3 HIS 31 2HB HIS 31 -0.138 3.568 3.175 204 HD1 HIS 31 HD1 HIS 31 -2.583 4.091 0.343 205 HD2 HIS 31 HD2 HIS 31 -1.513 1.194 3.122 206 HE1 HIS 31 HE1 HIS 31 -3.836 2.017 -0.331 207 H GLN 32 H GLN 32 -1.073 3.498 5.405 208 HA GLN 32 HA GLN 32 -3.210 1.853 5.731 209 HB2 GLN 32 1HB GLN 32 -1.672 3.116 8.006 210 HB3 GLN 32 2HB GLN 32 -2.568 1.604 8.066 211 HG2 GLN 32 1HG GLN 32 -0.995 0.807 6.220 212 HG3 GLN 32 2HG GLN 32 -0.006 2.205 6.637 213 HE21 GLN 32 1HE2 GLN 32 -0.495 -1.000 7.213 214 HE22 GLN 32 2HE2 GLN 32 0.297 -1.141 8.741 215 H ARG 33 H ARG 33 -3.044 5.232 6.504 216 HA ARG 33 HA ARG 33 -5.048 5.573 8.349 217 HB2 ARG 33 1HB ARG 33 -4.567 7.331 5.936 218 HB3 ARG 33 2HB ARG 33 -5.366 7.807 7.428 219 HG2 ARG 33 1HG ARG 33 -2.521 6.848 7.352 220 HG3 ARG 33 2HG ARG 33 -2.968 8.542 7.144 221 HD2 ARG 33 1HD ARG 33 -4.202 8.358 9.338 222 HD3 ARG 33 2HD ARG 33 -3.429 6.787 9.545 223 HE ARG 33 HE ARG 33 -1.351 8.462 9.062 224 HH11 ARG 33 1HH1 ARG 33 -3.992 8.479 11.331 225 HH12 ARG 33 2HH1 ARG 33 -3.103 9.321 12.558 226 HH21 ARG 33 1HH2 ARG 33 -0.171 9.570 10.669 227 HH22 ARG 33 2HH2 ARG 33 -0.931 9.942 12.180 228 H THR 34 H THR 34 -5.357 5.042 4.875 229 HA THR 34 HA THR 34 -8.104 5.529 4.624 230 HB THR 34 HB THR 34 -8.024 4.351 2.546 231 HG1 THR 34 HG1 THR 34 -7.029 2.451 2.917 232 HG21 THR 34 3HG2 THR 34 -5.547 5.123 1.808 233 HG22 THR 34 1HG2 THR 34 -5.723 6.040 3.303 234 HG23 THR 34 2HG2 THR 34 -6.898 6.240 2.003 235 H HIS 35 H HIS 35 -6.335 2.663 5.634 236 HA HIS 35 HA HIS 35 -8.613 0.934 5.626 237 HB2 HIS 35 1HB HIS 35 -5.854 0.710 6.824 238 HB3 HIS 35 2HB HIS 35 -7.075 -0.542 7.032 239 HD1 HIS 35 HD1 HIS 35 -8.081 -1.425 4.591 240 HD2 HIS 35 HD2 HIS 35 -4.310 0.317 4.645 241 HE1 HIS 35 HE1 HIS 35 -6.961 -2.180 2.470 242 H ALA 36 H ALA 36 -7.026 2.974 8.004 243 HA ALA 36 HA ALA 36 -8.373 1.986 10.286 244 HB1 ALA 36 3HB ALA 36 -7.774 4.694 10.731 245 HB2 ALA 36 1HB ALA 36 -6.842 3.283 11.230 246 HB3 ALA 36 2HB ALA 36 -6.499 4.066 9.687 247 H GLY 37 H GLY 37 -10.570 1.790 9.608 248 HA2 GLY 37 1HA GLY 37 -12.472 3.313 10.520 249 HA3 GLY 37 2HA GLY 37 -12.002 4.313 9.153 250 H GLU 38 H GLU 38 -12.589 0.831 9.675 251 HA GLU 38 HA GLU 38 -14.673 0.916 7.630 252 HB2 GLU 38 1HB GLU 38 -13.747 -0.903 6.358 253 HB3 GLU 38 2HB GLU 38 -12.533 0.362 6.480 254 HG2 GLU 38 1HG GLU 38 -11.463 -0.894 8.317 255 HG3 GLU 38 2HG GLU 38 -12.635 -2.188 8.074 256 H LYS 39 H LYS 39 -15.581 -1.462 7.408 257 HA LYS 39 HA LYS 39 -16.597 -2.143 9.981 258 HB2 LYS 39 1HB LYS 39 -16.869 -3.456 7.276 259 HB3 LYS 39 2HB LYS 39 -17.687 -4.044 8.718 260 HG2 LYS 39 1HG LYS 39 -18.030 -1.187 7.988 261 HG3 LYS 39 2HG LYS 39 -18.861 -2.405 7.018 262 HD2 LYS 39 1HD LYS 39 -20.430 -1.941 8.649 263 HD3 LYS 39 2HD LYS 39 -19.606 -3.347 9.328 264 HE2 LYS 39 1HE LYS 39 -18.557 -2.118 10.951 265 HE3 LYS 39 2HE LYS 39 -18.558 -0.642 9.986 266 HZ1 LYS 39 3HZ LYS 39 -20.918 -1.841 11.333 267 HZ2 LYS 39 1HZ LYS 39 -20.942 -0.444 10.379 268 HZ3 LYS 39 2HZ LYS 39 -20.083 -0.459 11.836 269 HA PRO 40 HA PRO 40 -13.623 -5.103 11.306 270 HB2 PRO 40 1HB PRO 40 -15.179 -6.575 12.974 271 HB3 PRO 40 2HB PRO 40 -14.610 -4.950 13.375 272 HG2 PRO 40 1HG PRO 40 -17.272 -5.817 12.314 273 HG3 PRO 40 2HG PRO 40 -16.905 -4.640 13.589 274 HD2 PRO 40 1HD PRO 40 -17.534 -3.901 11.061 275 HD3 PRO 40 2HD PRO 40 -16.419 -2.968 12.080 276 H SER 41 H SER 41 -13.066 -6.386 9.590 277 HA SER 41 HA SER 41 -14.902 -8.398 8.595 278 HB2 SER 41 1HB SER 41 -12.023 -7.875 7.818 279 HB3 SER 41 2HB SER 41 -13.176 -8.881 6.942 280 HG SER 41 HG SER 41 -13.522 -7.068 5.912 281 H GLY 42 H GLY 42 -11.722 -8.325 10.192 282 HA2 GLY 42 1HA GLY 42 -12.179 -11.139 10.977 283 HA3 GLY 42 2HA GLY 42 -10.588 -10.489 10.611 284 HA PRO 43 HA PRO 43 -11.691 -10.174 15.220 285 HB2 PRO 43 1HB PRO 43 -10.035 -12.122 16.134 286 HB3 PRO 43 2HB PRO 43 -11.712 -12.427 15.668 287 HG2 PRO 43 1HG PRO 43 -9.198 -12.894 14.111 288 HG3 PRO 43 2HG PRO 43 -10.622 -13.937 14.275 289 HD2 PRO 43 1HD PRO 43 -10.201 -12.377 12.102 290 HD3 PRO 43 2HD PRO 43 -11.827 -12.751 12.708 291 H SER 44 H SER 44 -10.178 -9.557 16.937 292 HA SER 44 HA SER 44 -7.859 -8.186 15.814 293 HB2 SER 44 1HB SER 44 -9.343 -6.826 17.166 294 HB3 SER 44 2HB SER 44 -9.215 -7.959 18.511 295 HG SER 44 HG SER 44 -7.289 -6.168 17.505 296 H SER 45 H SER 45 -8.627 -10.308 18.567 297 HA SER 45 HA SER 45 -5.918 -10.679 19.335 298 HB2 SER 45 1HB SER 45 -6.776 -12.433 20.805 299 HB3 SER 45 2HB SER 45 -7.818 -11.013 20.885 300 HG SER 45 HG SER 45 -9.380 -12.075 19.873 301 H GLY 46 H GLY 46 -8.216 -12.722 17.541 302 HA2 GLY 46 1HA GLY 46 -6.751 -14.977 17.110 303 HA3 GLY 46 2HA GLY 46 -7.816 -14.287 15.894 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -8.200 -12.684 -11.383 2 HA2 GLY 1 1HA GLY 1 -6.648 -11.135 -12.376 3 HA3 GLY 1 2HA GLY 1 -7.241 -9.901 -11.274 4 H SER 2 H SER 2 -5.936 -13.202 -10.910 5 HA SER 2 HA SER 2 -4.667 -12.647 -8.451 6 HB2 SER 2 1HB SER 2 -3.548 -14.813 -8.760 7 HB3 SER 2 2HB SER 2 -5.263 -14.929 -9.155 8 HG SER 2 HG SER 2 -4.041 -14.271 -11.380 9 H SER 3 H SER 3 -2.952 -11.421 -8.096 10 HA SER 3 HA SER 3 -0.632 -11.592 -9.818 11 HB2 SER 3 1HB SER 3 -1.966 -9.841 -10.923 12 HB3 SER 3 2HB SER 3 -2.044 -8.944 -9.407 13 HG SER 3 HG SER 3 -0.142 -8.879 -11.258 14 H GLY 4 H GLY 4 1.238 -10.429 -8.911 15 HA2 GLY 4 1HA GLY 4 1.395 -9.108 -6.516 16 HA3 GLY 4 2HA GLY 4 1.355 -10.807 -6.071 17 H SER 5 H SER 5 3.168 -8.310 -7.724 18 HA SER 5 HA SER 5 5.308 -9.813 -8.678 19 HB2 SER 5 1HB SER 5 5.099 -6.959 -7.735 20 HB3 SER 5 2HB SER 5 6.620 -7.623 -8.331 21 HG SER 5 HG SER 5 4.583 -6.687 -9.741 22 H SER 6 H SER 6 6.777 -11.006 -7.680 23 HA SER 6 HA SER 6 6.947 -11.511 -5.004 24 HB2 SER 6 1HB SER 6 8.129 -12.692 -6.963 25 HB3 SER 6 2HB SER 6 9.423 -11.517 -6.723 26 HG SER 6 HG SER 6 10.047 -12.598 -5.039 27 H GLY 7 H GLY 7 8.786 -9.076 -6.817 28 HA2 GLY 7 1HA GLY 7 8.877 -7.205 -4.757 29 HA3 GLY 7 2HA GLY 7 10.334 -8.179 -4.621 30 H THR 8 H THR 8 8.552 -5.947 -6.655 31 HA THR 8 HA THR 8 10.980 -5.548 -8.276 32 HB THR 8 HB THR 8 9.486 -4.507 -9.967 33 HG1 THR 8 HG1 THR 8 7.724 -3.899 -8.738 34 HG21 THR 8 3HG2 THR 8 9.466 -6.531 -10.894 35 HG22 THR 8 1HG2 THR 8 8.094 -6.992 -9.887 36 HG23 THR 8 2HG2 THR 8 9.740 -7.256 -9.310 37 H GLY 9 H GLY 9 11.974 -4.101 -6.830 38 HA2 GLY 9 1HA GLY 9 12.276 -1.614 -7.009 39 HA3 GLY 9 2HA GLY 9 10.587 -1.509 -6.536 40 H GLU 10 H GLU 10 12.980 -0.401 -5.243 41 HA GLU 10 HA GLU 10 13.459 -1.927 -2.867 42 HB2 GLU 10 1HB GLU 10 15.120 -0.353 -3.832 43 HB3 GLU 10 2HB GLU 10 14.059 0.984 -3.413 44 HG2 GLU 10 1HG GLU 10 15.574 0.974 -1.678 45 HG3 GLU 10 2HG GLU 10 14.220 0.063 -1.011 46 H ASN 11 H ASN 11 11.335 -2.281 -2.070 47 HA ASN 11 HA ASN 11 10.207 0.068 -0.698 48 HB2 ASN 11 1HB ASN 11 7.970 -1.209 -0.942 49 HB3 ASN 11 2HB ASN 11 8.598 -0.352 -2.347 50 HD21 ASN 11 1HD2 ASN 11 7.766 -1.550 -3.951 51 HD22 ASN 11 2HD2 ASN 11 8.103 -3.227 -4.198 52 HA PRO 12 HA PRO 12 11.321 -3.120 2.444 53 HB2 PRO 12 1HB PRO 12 12.186 -1.316 4.280 54 HB3 PRO 12 2HB PRO 12 13.219 -1.948 2.993 55 HG2 PRO 12 1HG PRO 12 11.736 0.649 3.127 56 HG3 PRO 12 2HG PRO 12 13.387 0.332 2.565 57 HD2 PRO 12 1HD PRO 12 11.307 0.662 0.863 58 HD3 PRO 12 2HD PRO 12 12.677 -0.408 0.501 59 H TYR 13 H TYR 13 9.067 -0.643 2.133 60 HA TYR 13 HA TYR 13 7.726 -1.468 4.624 61 HB2 TYR 13 1HB TYR 13 7.482 1.247 3.321 62 HB3 TYR 13 2HB TYR 13 6.823 0.750 4.875 63 HD1 TYR 13 HD1 TYR 13 8.379 0.305 6.781 64 HD2 TYR 13 HD2 TYR 13 9.716 2.022 3.125 65 HE1 TYR 13 HE1 TYR 13 10.422 1.088 7.903 66 HE2 TYR 13 HE2 TYR 13 11.764 2.809 4.237 67 HH TYR 13 HH TYR 13 12.335 2.188 7.690 68 H GLU 14 H GLU 14 6.212 -2.868 3.958 69 HA GLU 14 HA GLU 14 4.479 -2.054 1.718 70 HB2 GLU 14 1HB GLU 14 5.616 -4.687 2.500 71 HB3 GLU 14 2HB GLU 14 3.983 -4.679 1.850 72 HG2 GLU 14 1HG GLU 14 4.658 -4.057 -0.230 73 HG3 GLU 14 2HG GLU 14 6.064 -3.177 0.368 74 H CYS 15 H CYS 15 2.253 -2.316 1.924 75 HA CYS 15 HA CYS 15 1.269 -2.142 4.626 76 HB2 CYS 15 1HB CYS 15 0.434 -0.774 2.646 77 HB3 CYS 15 2HB CYS 15 -0.390 -2.234 2.107 78 H HIS 16 H HIS 16 0.961 -3.922 5.785 79 HA HIS 16 HA HIS 16 0.583 -6.500 4.643 80 HB2 HIS 16 1HB HIS 16 0.130 -7.180 7.029 81 HB3 HIS 16 2HB HIS 16 1.673 -6.372 6.766 82 HD1 HIS 16 HD1 HIS 16 2.146 -4.931 8.707 83 HD2 HIS 16 HD2 HIS 16 -1.881 -4.859 7.686 84 HE1 HIS 16 HE1 HIS 16 1.078 -3.301 10.297 85 H GLU 17 H GLU 17 -1.506 -3.957 4.931 86 HA GLU 17 HA GLU 17 -3.883 -5.456 5.608 87 HB2 GLU 17 1HB GLU 17 -3.594 -2.637 4.555 88 HB3 GLU 17 2HB GLU 17 -5.070 -3.349 5.192 89 HG2 GLU 17 1HG GLU 17 -3.574 -3.752 7.312 90 HG3 GLU 17 2HG GLU 17 -2.632 -2.432 6.623 91 H CYS 18 H CYS 18 -2.694 -3.743 2.717 92 HA CYS 18 HA CYS 18 -4.522 -5.388 1.097 93 HB2 CYS 18 1HB CYS 18 -4.331 -3.619 -0.619 94 HB3 CYS 18 2HB CYS 18 -4.979 -3.005 0.898 95 H GLY 19 H GLY 19 -1.255 -3.989 1.161 96 HA2 GLY 19 1HA GLY 19 0.516 -5.709 0.675 97 HA3 GLY 19 2HA GLY 19 -0.432 -6.081 -0.757 98 H LYS 20 H LYS 20 -0.156 -2.793 0.301 99 HA LYS 20 HA LYS 20 1.047 -2.029 -2.186 100 HB2 LYS 20 1HB LYS 20 -0.660 -0.714 -0.757 101 HB3 LYS 20 2HB LYS 20 0.734 -0.220 0.195 102 HG2 LYS 20 1HG LYS 20 1.623 1.045 -1.511 103 HG3 LYS 20 2HG LYS 20 0.771 0.142 -2.766 104 HD2 LYS 20 1HD LYS 20 -0.664 1.856 -0.753 105 HD3 LYS 20 2HD LYS 20 -0.059 2.498 -2.282 106 HE2 LYS 20 1HE LYS 20 -1.887 0.113 -2.114 107 HE3 LYS 20 2HE LYS 20 -2.482 1.767 -2.251 108 HZ1 LYS 20 3HZ LYS 20 -2.376 0.791 -4.417 109 HZ2 LYS 20 1HZ LYS 20 -0.762 0.334 -4.200 110 HZ3 LYS 20 2HZ LYS 20 -1.169 1.972 -4.314 111 H ALA 21 H ALA 21 2.886 -0.287 -1.997 112 HA ALA 21 HA ALA 21 4.913 -1.116 -0.053 113 HB1 ALA 21 3HB ALA 21 5.001 -1.606 -2.943 114 HB2 ALA 21 1HB ALA 21 6.453 -0.859 -2.277 115 HB3 ALA 21 2HB ALA 21 5.874 -2.393 -1.628 116 H PHE 22 H PHE 22 6.399 0.463 0.480 117 HA PHE 22 HA PHE 22 6.232 3.033 -0.913 118 HB2 PHE 22 1HB PHE 22 6.073 2.812 2.097 119 HB3 PHE 22 2HB PHE 22 5.951 4.278 1.130 120 HD1 PHE 22 HD2 PHE 22 4.275 1.004 1.683 121 HD2 PHE 22 HD1 PHE 22 3.872 5.076 0.512 122 HE1 PHE 22 HE2 PHE 22 1.831 0.732 1.592 123 HE2 PHE 22 HE1 PHE 22 1.428 4.811 0.419 124 HZ PHE 22 HZ PHE 22 0.404 2.637 0.959 125 H SER 23 H SER 23 8.026 4.464 -0.455 126 HA SER 23 HA SER 23 10.501 3.055 -0.325 127 HB2 SER 23 1HB SER 23 9.839 5.306 -1.551 128 HB3 SER 23 2HB SER 23 10.390 6.029 -0.040 129 HG SER 23 HG SER 23 12.392 5.456 -0.476 130 H ARG 24 H ARG 24 8.981 5.480 1.797 131 HA ARG 24 HA ARG 24 10.847 4.686 3.926 132 HB2 ARG 24 1HB ARG 24 9.078 7.108 4.049 133 HB3 ARG 24 2HB ARG 24 10.598 6.806 4.881 134 HG2 ARG 24 1HG ARG 24 11.577 6.796 2.455 135 HG3 ARG 24 2HG ARG 24 10.111 7.708 2.087 136 HD2 ARG 24 1HD ARG 24 10.689 9.427 3.607 137 HD3 ARG 24 2HD ARG 24 11.967 8.453 4.332 138 HE ARG 24 HE ARG 24 12.374 8.974 1.539 139 HH11 ARG 24 1HH1 ARG 24 12.814 10.203 4.767 140 HH12 ARG 24 2HH1 ARG 24 14.150 11.220 4.337 141 HH21 ARG 24 1HH2 ARG 24 14.131 10.309 0.962 142 HH22 ARG 24 2HH2 ARG 24 14.897 11.281 2.173 143 H LYS 25 H LYS 25 9.926 4.736 6.162 144 HA LYS 25 HA LYS 25 7.790 2.930 6.387 145 HB2 LYS 25 1HB LYS 25 9.486 3.114 8.115 146 HB3 LYS 25 2HB LYS 25 9.007 4.772 8.452 147 HG2 LYS 25 1HG LYS 25 8.046 3.518 10.166 148 HG3 LYS 25 2HG LYS 25 6.719 3.815 9.039 149 HD2 LYS 25 1HD LYS 25 6.901 1.604 8.140 150 HD3 LYS 25 2HD LYS 25 8.388 1.303 9.043 151 HE2 LYS 25 1HE LYS 25 7.230 1.265 11.109 152 HE3 LYS 25 2HE LYS 25 5.766 1.924 10.382 153 HZ1 LYS 25 3HZ LYS 25 6.052 -0.638 10.862 154 HZ2 LYS 25 1HZ LYS 25 6.769 -0.609 9.330 155 HZ3 LYS 25 2HZ LYS 25 5.176 -0.076 9.528 156 H TYR 26 H TYR 26 7.916 6.415 7.120 157 HA TYR 26 HA TYR 26 5.281 6.765 7.900 158 HB2 TYR 26 1HB TYR 26 5.724 9.002 7.845 159 HB3 TYR 26 2HB TYR 26 7.378 8.418 7.697 160 HD1 TYR 26 HD1 TYR 26 8.476 8.388 5.462 161 HD2 TYR 26 HD2 TYR 26 4.673 10.195 6.075 162 HE1 TYR 26 HE1 TYR 26 8.723 9.611 3.342 163 HE2 TYR 26 HE2 TYR 26 4.909 11.422 3.956 164 HH TYR 26 HH TYR 26 7.698 11.893 2.405 165 H GLN 27 H GLN 27 6.675 6.831 4.647 166 HA GLN 27 HA GLN 27 4.512 7.689 3.177 167 HB2 GLN 27 1HB GLN 27 6.589 5.607 2.494 168 HB3 GLN 27 2HB GLN 27 5.439 6.247 1.327 169 HG2 GLN 27 1HG GLN 27 6.376 8.553 2.055 170 HG3 GLN 27 2HG GLN 27 7.736 7.607 2.659 171 HE21 GLN 27 1HE2 GLN 27 8.447 9.307 0.850 172 HE22 GLN 27 2HE2 GLN 27 8.684 8.587 -0.702 173 H LEU 28 H LEU 28 4.971 4.652 4.790 174 HA LEU 28 HA LEU 28 2.760 3.374 3.414 175 HB2 LEU 28 1HB LEU 28 4.402 1.831 3.907 176 HB3 LEU 28 2HB LEU 28 4.750 2.549 5.478 177 HG LEU 28 HG LEU 28 2.795 1.546 6.438 178 HD11 LEU 28 1HD1 LEU 28 1.033 1.408 5.059 179 HD12 LEU 28 2HD1 LEU 28 1.685 -0.182 4.666 180 HD13 LEU 28 3HD1 LEU 28 2.039 1.197 3.626 181 HD21 LEU 28 3HD2 LEU 28 3.473 -0.904 5.176 182 HD22 LEU 28 1HD2 LEU 28 3.993 -0.294 6.747 183 HD23 LEU 28 2HD2 LEU 28 4.938 0.071 5.303 184 H ILE 29 H ILE 29 3.503 4.540 6.684 185 HA ILE 29 HA ILE 29 1.171 3.833 7.982 186 HB ILE 29 HB ILE 29 3.059 6.127 8.343 187 HG12 ILE 29 1HG1 ILE 29 3.164 4.916 10.644 188 HG13 ILE 29 2HG1 ILE 29 2.345 3.602 9.806 189 HG21 ILE 29 1HG2 ILE 29 1.568 6.296 10.588 190 HG22 ILE 29 2HG2 ILE 29 1.357 7.337 9.181 191 HG23 ILE 29 3HG2 ILE 29 0.321 5.927 9.396 192 HD11 ILE 29 3HD1 ILE 29 4.168 3.082 8.556 193 HD12 ILE 29 1HD1 ILE 29 4.783 4.734 8.558 194 HD13 ILE 29 2HD1 ILE 29 4.969 3.722 9.991 195 H SER 30 H SER 30 1.824 6.793 6.126 196 HA SER 30 HA SER 30 -0.575 8.113 6.543 197 HB2 SER 30 1HB SER 30 1.499 8.953 5.313 198 HB3 SER 30 2HB SER 30 0.872 8.117 3.892 199 HG SER 30 HG SER 30 -0.995 9.683 5.129 200 H HIS 31 H HIS 31 0.191 5.513 4.304 201 HA HIS 31 HA HIS 31 -2.249 5.631 2.848 202 HB2 HIS 31 1HB HIS 31 -0.408 4.555 1.792 203 HB3 HIS 31 2HB HIS 31 -0.152 3.486 3.168 204 HD1 HIS 31 HD1 HIS 31 -2.621 4.072 0.361 205 HD2 HIS 31 HD2 HIS 31 -1.497 1.107 3.045 206 HE1 HIS 31 HE1 HIS 31 -3.874 2.011 -0.350 207 H GLN 32 H GLN 32 -1.105 3.527 5.479 208 HA GLN 32 HA GLN 32 -3.255 1.855 5.763 209 HB2 GLN 32 1HB GLN 32 -1.678 3.107 8.018 210 HB3 GLN 32 2HB GLN 32 -2.636 1.636 8.122 211 HG2 GLN 32 1HG GLN 32 -1.107 0.756 6.256 212 HG3 GLN 32 2HG GLN 32 -0.050 2.098 6.691 213 HE21 GLN 32 1HE2 GLN 32 -0.594 -1.076 7.186 214 HE22 GLN 32 2HE2 GLN 32 0.128 -1.268 8.743 215 H ARG 33 H ARG 33 -2.988 5.210 6.733 216 HA ARG 33 HA ARG 33 -5.057 5.525 8.491 217 HB2 ARG 33 1HB ARG 33 -4.455 7.397 6.194 218 HB3 ARG 33 2HB ARG 33 -5.259 7.813 7.702 219 HG2 ARG 33 1HG ARG 33 -2.420 6.834 7.499 220 HG3 ARG 33 2HG ARG 33 -2.896 8.531 7.599 221 HD2 ARG 33 1HD ARG 33 -3.935 6.665 9.664 222 HD3 ARG 33 2HD ARG 33 -2.234 7.120 9.746 223 HE ARG 33 HE ARG 33 -4.524 8.823 10.234 224 HH11 ARG 33 1HH1 ARG 33 -1.108 8.637 9.588 225 HH12 ARG 33 2HH1 ARG 33 -0.768 10.208 10.234 226 HH21 ARG 33 1HH2 ARG 33 -4.089 10.894 11.086 227 HH22 ARG 33 2HH2 ARG 33 -2.464 11.491 11.086 228 H THR 34 H THR 34 -5.247 5.061 5.015 229 HA THR 34 HA THR 34 -7.977 5.689 4.689 230 HB THR 34 HB THR 34 -7.852 4.643 2.550 231 HG1 THR 34 HG1 THR 34 -6.924 2.668 3.036 232 HG21 THR 34 3HG2 THR 34 -6.649 6.559 2.243 233 HG22 THR 34 1HG2 THR 34 -5.386 5.386 1.875 234 HG23 THR 34 2HG2 THR 34 -5.454 6.136 3.469 235 H HIS 35 H HIS 35 -6.308 2.745 5.626 236 HA HIS 35 HA HIS 35 -8.583 1.038 5.407 237 HB2 HIS 35 1HB HIS 35 -5.901 0.778 6.747 238 HB3 HIS 35 2HB HIS 35 -7.139 -0.461 6.931 239 HD1 HIS 35 HD1 HIS 35 -8.054 -1.407 4.495 240 HD2 HIS 35 HD2 HIS 35 -4.309 0.388 4.598 241 HE1 HIS 35 HE1 HIS 35 -6.878 -2.186 2.414 242 H ALA 36 H ALA 36 -7.053 2.791 8.075 243 HA ALA 36 HA ALA 36 -8.374 1.846 10.257 244 HB1 ALA 36 3HB ALA 36 -8.409 4.652 10.544 245 HB2 ALA 36 1HB ALA 36 -7.222 3.506 11.168 246 HB3 ALA 36 2HB ALA 36 -6.987 4.246 9.584 247 H GLY 37 H GLY 37 -10.325 2.233 11.309 248 HA2 GLY 37 1HA GLY 37 -12.303 4.038 10.666 249 HA3 GLY 37 2HA GLY 37 -12.570 2.668 9.598 250 H GLU 38 H GLU 38 -13.566 0.881 10.369 251 HA GLU 38 HA GLU 38 -15.163 0.970 12.602 252 HB2 GLU 38 1HB GLU 38 -15.150 -1.581 12.439 253 HB3 GLU 38 2HB GLU 38 -15.658 -0.689 11.012 254 HG2 GLU 38 1HG GLU 38 -13.640 -1.113 9.893 255 HG3 GLU 38 2HG GLU 38 -12.838 -1.640 11.371 256 H LYS 39 H LYS 39 -14.523 1.329 14.623 257 HA LYS 39 HA LYS 39 -12.029 0.172 15.599 258 HB2 LYS 39 1HB LYS 39 -12.649 2.591 15.991 259 HB3 LYS 39 2HB LYS 39 -13.914 2.016 17.069 260 HG2 LYS 39 1HG LYS 39 -12.143 2.557 18.482 261 HG3 LYS 39 2HG LYS 39 -12.054 0.801 18.324 262 HD2 LYS 39 1HD LYS 39 -10.419 1.322 16.372 263 HD3 LYS 39 2HD LYS 39 -10.283 2.906 17.140 264 HE2 LYS 39 1HE LYS 39 -9.957 0.414 18.762 265 HE3 LYS 39 2HE LYS 39 -8.620 1.007 17.778 266 HZ1 LYS 39 3HZ LYS 39 -9.325 3.240 19.021 267 HZ2 LYS 39 1HZ LYS 39 -8.177 2.163 19.642 268 HZ3 LYS 39 2HZ LYS 39 -9.772 2.117 20.204 269 HA PRO 40 HA PRO 40 -14.096 -3.173 17.609 270 HB2 PRO 40 1HB PRO 40 -12.089 -3.892 19.290 271 HB3 PRO 40 2HB PRO 40 -12.065 -4.247 17.558 272 HG2 PRO 40 1HG PRO 40 -10.712 -2.038 19.058 273 HG3 PRO 40 2HG PRO 40 -10.076 -3.060 17.756 274 HD2 PRO 40 1HD PRO 40 -10.969 -0.540 17.326 275 HD3 PRO 40 2HD PRO 40 -11.112 -1.825 16.109 276 H SER 41 H SER 41 -13.545 -0.208 18.919 277 HA SER 41 HA SER 41 -14.444 -0.993 21.608 278 HB2 SER 41 1HB SER 41 -12.952 1.405 20.575 279 HB3 SER 41 2HB SER 41 -13.815 1.477 22.111 280 HG SER 41 HG SER 41 -11.429 0.374 21.567 281 H GLY 42 H GLY 42 -14.940 1.662 19.269 282 HA2 GLY 42 1HA GLY 42 -17.439 1.715 18.603 283 HA3 GLY 42 2HA GLY 42 -17.666 1.975 20.326 284 HA PRO 43 HA PRO 43 -16.735 5.977 17.868 285 HB2 PRO 43 1HB PRO 43 -19.269 6.884 17.506 286 HB3 PRO 43 2HB PRO 43 -18.432 5.873 16.322 287 HG2 PRO 43 1HG PRO 43 -20.448 5.092 18.393 288 HG3 PRO 43 2HG PRO 43 -20.323 4.573 16.702 289 HD2 PRO 43 1HD PRO 43 -19.456 3.045 18.762 290 HD3 PRO 43 2HD PRO 43 -18.678 3.027 17.166 291 H SER 44 H SER 44 -15.933 6.919 19.705 292 HA SER 44 HA SER 44 -17.922 8.055 21.558 293 HB2 SER 44 1HB SER 44 -16.226 7.822 23.367 294 HB3 SER 44 2HB SER 44 -16.751 6.270 22.717 295 HG SER 44 HG SER 44 -14.612 7.269 21.372 296 H SER 45 H SER 45 -17.579 10.144 22.262 297 HA SER 45 HA SER 45 -15.975 11.786 20.539 298 HB2 SER 45 1HB SER 45 -16.921 13.666 21.799 299 HB3 SER 45 2HB SER 45 -18.188 12.530 21.335 300 HG SER 45 HG SER 45 -17.867 11.615 23.507 301 H GLY 46 H GLY 46 -14.415 13.373 21.319 302 HA2 GLY 46 1HA GLY 46 -13.096 14.028 23.367 303 HA3 GLY 46 2HA GLY 46 -12.855 12.301 23.586 Start of MODEL 11 1 H1 GLY 1 H GLY 1 13.042 -22.156 -18.975 2 HA2 GLY 1 1HA GLY 1 14.015 -20.866 -16.864 3 HA3 GLY 1 2HA GLY 1 15.337 -20.645 -18.001 4 H SER 2 H SER 2 12.292 -19.537 -16.967 5 HA SER 2 HA SER 2 12.015 -17.818 -19.337 6 HB2 SER 2 1HB SER 2 10.054 -19.236 -18.671 7 HB3 SER 2 2HB SER 2 9.967 -18.321 -17.166 8 HG SER 2 HG SER 2 9.375 -16.536 -18.269 9 H SER 3 H SER 3 13.287 -16.081 -18.966 10 HA SER 3 HA SER 3 13.052 -14.708 -16.380 11 HB2 SER 3 1HB SER 3 15.115 -14.314 -18.561 12 HB3 SER 3 2HB SER 3 15.130 -13.565 -16.964 13 HG SER 3 HG SER 3 15.739 -16.173 -17.720 14 H GLY 4 H GLY 4 11.497 -13.216 -16.384 15 HA2 GLY 4 1HA GLY 4 11.571 -11.132 -18.415 16 HA3 GLY 4 2HA GLY 4 10.082 -12.063 -18.329 17 H SER 5 H SER 5 9.962 -12.421 -15.538 18 HA SER 5 HA SER 5 8.441 -10.417 -14.628 19 HB2 SER 5 1HB SER 5 9.316 -12.602 -13.440 20 HB3 SER 5 2HB SER 5 10.450 -11.484 -12.681 21 HG SER 5 HG SER 5 8.881 -10.996 -11.389 22 H SER 6 H SER 6 8.720 -8.293 -14.690 23 HA SER 6 HA SER 6 11.291 -7.058 -14.698 24 HB2 SER 6 1HB SER 6 9.494 -6.020 -15.932 25 HB3 SER 6 2HB SER 6 8.504 -5.899 -14.478 26 HG SER 6 HG SER 6 9.530 -3.920 -14.961 27 H GLY 7 H GLY 7 12.006 -5.414 -13.167 28 HA2 GLY 7 1HA GLY 7 11.422 -6.258 -10.418 29 HA3 GLY 7 2HA GLY 7 12.842 -5.366 -10.942 30 H THR 8 H THR 8 10.248 -5.062 -9.086 31 HA THR 8 HA THR 8 9.268 -2.488 -9.920 32 HB THR 8 HB THR 8 8.058 -2.515 -7.728 33 HG1 THR 8 HG1 THR 8 9.538 -3.820 -6.561 34 HG21 THR 8 3HG2 THR 8 6.450 -3.546 -8.872 35 HG22 THR 8 1HG2 THR 8 7.227 -5.105 -8.601 36 HG23 THR 8 2HG2 THR 8 7.660 -4.138 -10.011 37 H GLY 9 H GLY 9 11.573 -3.714 -7.559 38 HA2 GLY 9 1HA GLY 9 13.455 -2.042 -7.246 39 HA3 GLY 9 2HA GLY 9 12.175 -0.931 -6.779 40 H GLU 10 H GLU 10 13.332 -0.691 -4.768 41 HA GLU 10 HA GLU 10 13.111 -3.004 -2.968 42 HB2 GLU 10 1HB GLU 10 14.800 -0.511 -2.869 43 HB3 GLU 10 2HB GLU 10 14.596 -1.557 -1.470 44 HG2 GLU 10 1HG GLU 10 15.502 -2.707 -4.069 45 HG3 GLU 10 2HG GLU 10 16.644 -1.857 -3.030 46 H ASN 11 H ASN 11 11.315 -3.040 -1.799 47 HA ASN 11 HA ASN 11 10.321 -0.503 -0.681 48 HB2 ASN 11 1HB ASN 11 8.024 -1.771 -0.788 49 HB3 ASN 11 2HB ASN 11 8.645 -0.947 -2.215 50 HD21 ASN 11 1HD2 ASN 11 7.907 -2.137 -3.845 51 HD22 ASN 11 2HD2 ASN 11 8.176 -3.832 -4.043 52 HA PRO 12 HA PRO 12 11.261 -3.358 2.803 53 HB2 PRO 12 1HB PRO 12 12.112 -1.385 4.463 54 HB3 PRO 12 2HB PRO 12 13.165 -2.162 3.274 55 HG2 PRO 12 1HG PRO 12 11.722 0.455 3.103 56 HG3 PRO 12 2HG PRO 12 13.381 0.059 2.618 57 HD2 PRO 12 1HD PRO 12 11.347 0.239 0.840 58 HD3 PRO 12 2HD PRO 12 12.707 -0.881 0.624 59 H TYR 13 H TYR 13 9.052 -0.904 2.177 60 HA TYR 13 HA TYR 13 7.613 -1.489 4.679 61 HB2 TYR 13 1HB TYR 13 7.534 1.157 3.222 62 HB3 TYR 13 2HB TYR 13 6.801 0.775 4.776 63 HD1 TYR 13 HD1 TYR 13 8.239 0.437 6.770 64 HD2 TYR 13 HD2 TYR 13 9.836 1.762 3.055 65 HE1 TYR 13 HE1 TYR 13 10.276 1.196 7.922 66 HE2 TYR 13 HE2 TYR 13 11.877 2.523 4.197 67 HH TYR 13 HH TYR 13 12.966 2.663 6.122 68 H GLU 14 H GLU 14 6.110 -2.903 3.986 69 HA GLU 14 HA GLU 14 4.420 -2.073 1.718 70 HB2 GLU 14 1HB GLU 14 5.585 -4.709 2.438 71 HB3 GLU 14 2HB GLU 14 3.950 -4.711 1.792 72 HG2 GLU 14 1HG GLU 14 4.610 -4.033 -0.275 73 HG3 GLU 14 2HG GLU 14 6.002 -3.143 0.339 74 H CYS 15 H CYS 15 2.244 -2.069 1.993 75 HA CYS 15 HA CYS 15 1.207 -1.984 4.622 76 HB2 CYS 15 1HB CYS 15 0.314 -0.744 2.606 77 HB3 CYS 15 2HB CYS 15 -0.398 -2.266 2.079 78 H HIS 16 H HIS 16 0.605 -3.591 5.902 79 HA HIS 16 HA HIS 16 0.416 -6.287 4.868 80 HB2 HIS 16 1HB HIS 16 0.289 -6.976 7.186 81 HB3 HIS 16 2HB HIS 16 1.578 -5.789 7.008 82 HD1 HIS 16 HD1 HIS 16 0.176 -6.368 9.730 83 HD2 HIS 16 HD2 HIS 16 -0.817 -3.268 7.148 84 HE1 HIS 16 HE1 HIS 16 -0.945 -4.631 11.163 85 H GLU 17 H GLU 17 -1.641 -4.188 4.248 86 HA GLU 17 HA GLU 17 -3.998 -5.633 5.270 87 HB2 GLU 17 1HB GLU 17 -3.793 -2.730 4.449 88 HB3 GLU 17 2HB GLU 17 -5.267 -3.539 4.963 89 HG2 GLU 17 1HG GLU 17 -3.954 -4.063 7.121 90 HG3 GLU 17 2HG GLU 17 -2.872 -2.782 6.580 91 H CYS 18 H CYS 18 -2.810 -3.720 2.513 92 HA CYS 18 HA CYS 18 -4.620 -5.252 0.769 93 HB2 CYS 18 1HB CYS 18 -4.435 -3.403 -0.824 94 HB3 CYS 18 2HB CYS 18 -4.994 -2.822 0.742 95 H GLY 19 H GLY 19 -1.319 -3.992 1.054 96 HA2 GLY 19 1HA GLY 19 0.439 -5.659 0.481 97 HA3 GLY 19 2HA GLY 19 -0.497 -5.983 -0.971 98 H LYS 20 H LYS 20 -0.205 -2.731 0.193 99 HA LYS 20 HA LYS 20 1.025 -1.900 -2.262 100 HB2 LYS 20 1HB LYS 20 -0.686 -0.630 -0.765 101 HB3 LYS 20 2HB LYS 20 0.733 -0.135 0.148 102 HG2 LYS 20 1HG LYS 20 1.613 1.072 -1.647 103 HG3 LYS 20 2HG LYS 20 0.563 0.268 -2.817 104 HD2 LYS 20 1HD LYS 20 -0.642 1.893 -0.617 105 HD3 LYS 20 2HD LYS 20 0.033 2.703 -2.032 106 HE2 LYS 20 1HE LYS 20 -1.953 0.457 -2.255 107 HE3 LYS 20 2HE LYS 20 -2.450 2.140 -2.089 108 HZ1 LYS 20 3HZ LYS 20 -1.785 0.828 -4.419 109 HZ2 LYS 20 1HZ LYS 20 -0.484 1.866 -4.115 110 HZ3 LYS 20 2HZ LYS 20 -2.053 2.487 -4.228 111 H ALA 21 H ALA 21 2.905 -0.273 -2.105 112 HA ALA 21 HA ALA 21 4.895 -1.126 -0.125 113 HB1 ALA 21 3HB ALA 21 5.558 -2.485 -1.887 114 HB2 ALA 21 1HB ALA 21 5.162 -1.270 -3.104 115 HB3 ALA 21 2HB ALA 21 6.581 -1.061 -2.077 116 H PHE 22 H PHE 22 6.358 0.433 0.480 117 HA PHE 22 HA PHE 22 6.243 3.027 -0.881 118 HB2 PHE 22 1HB PHE 22 6.106 2.781 2.126 119 HB3 PHE 22 2HB PHE 22 5.933 4.242 1.159 120 HD1 PHE 22 HD2 PHE 22 4.348 0.905 1.644 121 HD2 PHE 22 HD1 PHE 22 3.821 5.017 0.677 122 HE1 PHE 22 HE2 PHE 22 1.910 0.578 1.596 123 HE2 PHE 22 HE1 PHE 22 1.382 4.696 0.628 124 HZ PHE 22 HZ PHE 22 0.424 2.475 1.086 125 H SER 23 H SER 23 8.065 4.399 -0.472 126 HA SER 23 HA SER 23 10.514 2.951 -0.299 127 HB2 SER 23 1HB SER 23 10.108 5.951 -0.267 128 HB3 SER 23 2HB SER 23 11.596 5.093 -0.668 129 HG SER 23 HG SER 23 9.170 4.781 -2.102 130 H ARG 24 H ARG 24 9.007 5.427 1.769 131 HA ARG 24 HA ARG 24 10.878 4.688 3.912 132 HB2 ARG 24 1HB ARG 24 9.060 7.073 4.020 133 HB3 ARG 24 2HB ARG 24 10.602 6.818 4.827 134 HG2 ARG 24 1HG ARG 24 11.471 6.766 2.321 135 HG3 ARG 24 2HG ARG 24 10.027 7.751 2.077 136 HD2 ARG 24 1HD ARG 24 10.831 9.485 3.328 137 HD3 ARG 24 2HD ARG 24 11.806 8.434 4.354 138 HE ARG 24 HE ARG 24 12.714 8.622 1.623 139 HH11 ARG 24 1HH1 ARG 24 12.906 9.956 4.832 140 HH12 ARG 24 2HH1 ARG 24 14.459 10.681 4.578 141 HH21 ARG 24 1HH2 ARG 24 14.758 9.572 1.276 142 HH22 ARG 24 2HH2 ARG 24 15.511 10.463 2.555 143 H LYS 25 H LYS 25 9.921 4.842 6.161 144 HA LYS 25 HA LYS 25 7.817 2.975 6.403 145 HB2 LYS 25 1HB LYS 25 9.561 3.219 8.105 146 HB3 LYS 25 2HB LYS 25 8.990 4.841 8.474 147 HG2 LYS 25 1HG LYS 25 8.158 3.413 10.163 148 HG3 LYS 25 2HG LYS 25 6.793 3.815 9.119 149 HD2 LYS 25 1HD LYS 25 6.748 1.694 8.156 150 HD3 LYS 25 2HD LYS 25 8.404 1.331 8.650 151 HE2 LYS 25 1HE LYS 25 7.473 1.522 11.055 152 HE3 LYS 25 2HE LYS 25 5.896 1.333 10.290 153 HZ1 LYS 25 3HZ LYS 25 7.700 -0.613 9.310 154 HZ2 LYS 25 1HZ LYS 25 6.230 -0.836 10.118 155 HZ3 LYS 25 2HZ LYS 25 7.663 -0.670 11.001 156 H TYR 26 H TYR 26 7.935 6.466 7.099 157 HA TYR 26 HA TYR 26 5.296 6.799 7.898 158 HB2 TYR 26 1HB TYR 26 5.714 9.048 7.827 159 HB3 TYR 26 2HB TYR 26 7.372 8.463 7.739 160 HD1 TYR 26 HD1 TYR 26 8.518 8.372 5.512 161 HD2 TYR 26 HD2 TYR 26 4.752 10.277 6.046 162 HE1 TYR 26 HE1 TYR 26 8.837 9.583 3.395 163 HE2 TYR 26 HE2 TYR 26 5.059 11.492 3.929 164 HH TYR 26 HH TYR 26 8.026 11.664 2.324 165 H GLN 27 H GLN 27 6.695 6.878 4.648 166 HA GLN 27 HA GLN 27 4.542 7.745 3.172 167 HB2 GLN 27 1HB GLN 27 6.604 5.646 2.498 168 HB3 GLN 27 2HB GLN 27 5.462 6.291 1.327 169 HG2 GLN 27 1HG GLN 27 6.381 8.575 1.876 170 HG3 GLN 27 2HG GLN 27 7.662 7.746 2.759 171 HE21 GLN 27 1HE2 GLN 27 8.187 9.417 0.624 172 HE22 GLN 27 2HE2 GLN 27 8.801 8.480 -0.692 173 H LEU 28 H LEU 28 4.983 4.696 4.776 174 HA LEU 28 HA LEU 28 2.763 3.436 3.400 175 HB2 LEU 28 1HB LEU 28 4.424 1.904 3.911 176 HB3 LEU 28 2HB LEU 28 4.711 2.598 5.506 177 HG LEU 28 HG LEU 28 2.669 1.598 6.344 178 HD11 LEU 28 1HD1 LEU 28 1.304 1.732 4.347 179 HD12 LEU 28 2HD1 LEU 28 1.350 0.073 4.941 180 HD13 LEU 28 3HD1 LEU 28 2.321 0.535 3.544 181 HD21 LEU 28 3HD2 LEU 28 3.305 -0.746 6.209 182 HD22 LEU 28 1HD2 LEU 28 4.731 0.275 6.397 183 HD23 LEU 28 2HD2 LEU 28 4.334 -0.403 4.817 184 H ILE 29 H ILE 29 3.504 4.523 6.705 185 HA ILE 29 HA ILE 29 1.172 3.861 7.988 186 HB ILE 29 HB ILE 29 3.080 6.134 8.335 187 HG12 ILE 29 1HG1 ILE 29 3.011 4.952 10.697 188 HG13 ILE 29 2HG1 ILE 29 2.312 3.626 9.773 189 HG21 ILE 29 1HG2 ILE 29 1.762 6.749 10.411 190 HG22 ILE 29 2HG2 ILE 29 1.079 7.258 8.868 191 HG23 ILE 29 3HG2 ILE 29 0.419 5.852 9.703 192 HD11 ILE 29 3HD1 ILE 29 4.610 3.191 9.877 193 HD12 ILE 29 1HD1 ILE 29 4.329 3.820 8.254 194 HD13 ILE 29 2HD1 ILE 29 5.029 4.861 9.494 195 H SER 30 H SER 30 1.818 6.871 6.197 196 HA SER 30 HA SER 30 -0.587 8.159 6.577 197 HB2 SER 30 1HB SER 30 1.283 9.229 5.442 198 HB3 SER 30 2HB SER 30 1.130 8.116 4.083 199 HG SER 30 HG SER 30 -1.119 9.017 3.977 200 H HIS 31 H HIS 31 0.189 5.564 4.333 201 HA HIS 31 HA HIS 31 -2.268 5.670 2.898 202 HB2 HIS 31 1HB HIS 31 -0.429 4.637 1.802 203 HB3 HIS 31 2HB HIS 31 -0.130 3.559 3.163 204 HD1 HIS 31 HD1 HIS 31 -2.561 4.095 0.328 205 HD2 HIS 31 HD2 HIS 31 -1.525 1.187 3.109 206 HE1 HIS 31 HE1 HIS 31 -3.810 2.025 -0.365 207 H GLN 32 H GLN 32 -1.056 3.541 5.479 208 HA GLN 32 HA GLN 32 -3.174 1.834 5.770 209 HB2 GLN 32 1HB GLN 32 -1.598 3.085 8.026 210 HB3 GLN 32 2HB GLN 32 -2.523 1.592 8.117 211 HG2 GLN 32 1HG GLN 32 -1.003 0.744 6.251 212 HG3 GLN 32 2HG GLN 32 0.022 2.127 6.630 213 HE21 GLN 32 1HE2 GLN 32 -0.482 -1.058 7.238 214 HE22 GLN 32 2HE2 GLN 32 0.326 -1.197 8.758 215 H ARG 33 H ARG 33 -3.006 5.200 6.639 216 HA ARG 33 HA ARG 33 -5.052 5.451 8.470 217 HB2 ARG 33 1HB ARG 33 -4.532 7.372 6.196 218 HB3 ARG 33 2HB ARG 33 -5.269 7.743 7.749 219 HG2 ARG 33 1HG ARG 33 -2.427 6.828 7.362 220 HG3 ARG 33 2HG ARG 33 -2.938 8.502 7.587 221 HD2 ARG 33 1HD ARG 33 -3.779 6.462 9.587 222 HD3 ARG 33 2HD ARG 33 -2.112 7.036 9.614 223 HE ARG 33 HE ARG 33 -4.030 9.163 9.534 224 HH11 ARG 33 1HH1 ARG 33 -2.349 6.930 11.610 225 HH12 ARG 33 2HH1 ARG 33 -2.492 7.929 13.018 226 HH21 ARG 33 1HH2 ARG 33 -4.224 10.488 11.381 227 HH22 ARG 33 2HH2 ARG 33 -3.560 9.952 12.887 228 H THR 34 H THR 34 -5.246 5.062 4.980 229 HA THR 34 HA THR 34 -7.966 5.655 4.639 230 HB THR 34 HB THR 34 -7.839 4.545 2.525 231 HG1 THR 34 HG1 THR 34 -6.672 2.800 2.272 232 HG21 THR 34 3HG2 THR 34 -6.655 6.454 2.151 233 HG22 THR 34 1HG2 THR 34 -5.362 5.293 1.857 234 HG23 THR 34 2HG2 THR 34 -5.480 6.105 3.418 235 H HIS 35 H HIS 35 -6.321 2.682 5.568 236 HA HIS 35 HA HIS 35 -8.642 1.029 5.416 237 HB2 HIS 35 1HB HIS 35 -5.944 0.687 6.719 238 HB3 HIS 35 2HB HIS 35 -7.206 -0.535 6.842 239 HD1 HIS 35 HD1 HIS 35 -8.113 -1.380 4.374 240 HD2 HIS 35 HD2 HIS 35 -4.353 0.379 4.554 241 HE1 HIS 35 HE1 HIS 35 -6.938 -2.087 2.266 242 H ALA 36 H ALA 36 -7.046 2.841 7.986 243 HA ALA 36 HA ALA 36 -8.354 1.872 10.213 244 HB1 ALA 36 3HB ALA 36 -7.050 3.415 11.126 245 HB2 ALA 36 1HB ALA 36 -6.803 4.179 9.555 246 HB3 ALA 36 2HB ALA 36 -8.166 4.661 10.566 247 H GLY 37 H GLY 37 -10.503 1.377 9.944 248 HA2 GLY 37 1HA GLY 37 -12.341 3.598 10.150 249 HA3 GLY 37 2HA GLY 37 -12.506 2.672 8.666 250 H GLU 38 H GLU 38 -13.094 0.435 8.812 251 HA GLU 38 HA GLU 38 -14.511 -0.197 11.318 252 HB2 GLU 38 1HB GLU 38 -16.019 -1.591 9.870 253 HB3 GLU 38 2HB GLU 38 -16.126 0.142 9.595 254 HG2 GLU 38 1HG GLU 38 -14.594 -0.139 7.655 255 HG3 GLU 38 2HG GLU 38 -14.698 -1.882 7.891 256 H LYS 39 H LYS 39 -13.606 -1.785 12.427 257 HA LYS 39 HA LYS 39 -11.949 -3.754 11.022 258 HB2 LYS 39 1HB LYS 39 -11.012 -2.461 12.966 259 HB3 LYS 39 2HB LYS 39 -12.170 -3.289 13.999 260 HG2 LYS 39 1HG LYS 39 -11.155 -5.454 13.203 261 HG3 LYS 39 2HG LYS 39 -9.878 -4.484 12.467 262 HD2 LYS 39 1HD LYS 39 -9.745 -3.425 14.871 263 HD3 LYS 39 2HD LYS 39 -10.497 -4.950 15.348 264 HE2 LYS 39 1HE LYS 39 -8.195 -5.339 15.542 265 HE3 LYS 39 2HE LYS 39 -8.643 -6.081 14.006 266 HZ1 LYS 39 3HZ LYS 39 -6.752 -4.057 14.489 267 HZ2 LYS 39 1HZ LYS 39 -7.962 -3.434 13.484 268 HZ3 LYS 39 2HZ LYS 39 -7.121 -4.829 13.030 269 HA PRO 40 HA PRO 40 -15.083 -6.833 11.468 270 HB2 PRO 40 1HB PRO 40 -13.529 -9.013 11.015 271 HB3 PRO 40 2HB PRO 40 -14.042 -7.915 9.729 272 HG2 PRO 40 1HG PRO 40 -11.432 -8.031 11.191 273 HG3 PRO 40 2HG PRO 40 -11.734 -7.806 9.458 274 HD2 PRO 40 1HD PRO 40 -11.147 -5.745 11.114 275 HD3 PRO 40 2HD PRO 40 -12.211 -5.565 9.703 276 H SER 41 H SER 41 -11.968 -7.325 13.111 277 HA SER 41 HA SER 41 -13.057 -9.156 15.026 278 HB2 SER 41 1HB SER 41 -10.881 -9.204 15.989 279 HB3 SER 41 2HB SER 41 -10.634 -9.062 14.249 280 HG SER 41 HG SER 41 -9.313 -7.582 15.282 281 H GLY 42 H GLY 42 -12.964 -8.756 17.384 282 HA2 GLY 42 1HA GLY 42 -13.854 -6.003 17.972 283 HA3 GLY 42 2HA GLY 42 -14.435 -7.435 18.809 284 HA PRO 43 HA PRO 43 -9.948 -6.271 20.329 285 HB2 PRO 43 1HB PRO 43 -9.479 -3.598 20.256 286 HB3 PRO 43 2HB PRO 43 -9.032 -4.689 18.938 287 HG2 PRO 43 1HG PRO 43 -11.419 -2.899 19.188 288 HG3 PRO 43 2HG PRO 43 -10.378 -3.186 17.781 289 HD2 PRO 43 1HD PRO 43 -12.794 -4.373 18.072 290 HD3 PRO 43 2HD PRO 43 -11.436 -5.161 17.243 291 H SER 44 H SER 44 -9.263 -4.889 22.277 292 HA SER 44 HA SER 44 -11.455 -4.875 24.137 293 HB2 SER 44 1HB SER 44 -8.494 -4.539 24.315 294 HB3 SER 44 2HB SER 44 -9.481 -3.928 25.643 295 HG SER 44 HG SER 44 -8.765 -6.164 25.836 296 H SER 45 H SER 45 -9.019 -2.394 23.327 297 HA SER 45 HA SER 45 -10.697 -0.302 24.378 298 HB2 SER 45 1HB SER 45 -8.082 -0.128 22.860 299 HB3 SER 45 2HB SER 45 -8.864 1.200 23.717 300 HG SER 45 HG SER 45 -7.671 -1.129 24.775 301 H GLY 46 H GLY 46 -12.262 0.678 23.292 302 HA2 GLY 46 1HA GLY 46 -12.188 0.584 20.344 303 HA3 GLY 46 2HA GLY 46 -13.656 0.678 21.306 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -0.194 -18.233 -10.980 2 HA2 GLY 1 1HA GLY 1 0.342 -18.433 -8.701 3 HA3 GLY 1 2HA GLY 1 1.392 -17.117 -9.203 4 H SER 2 H SER 2 0.175 -14.911 -9.232 5 HA SER 2 HA SER 2 -0.813 -13.243 -8.040 6 HB2 SER 2 1HB SER 2 -2.877 -14.563 -8.382 7 HB3 SER 2 2HB SER 2 -2.536 -15.458 -6.901 8 HG SER 2 HG SER 2 -3.094 -13.766 -5.726 9 H SER 3 H SER 3 1.550 -14.299 -7.046 10 HA SER 3 HA SER 3 1.454 -13.392 -4.345 11 HB2 SER 3 1HB SER 3 0.630 -15.621 -3.888 12 HB3 SER 3 2HB SER 3 1.931 -16.340 -4.836 13 HG SER 3 HG SER 3 3.360 -15.236 -3.258 14 H GLY 4 H GLY 4 3.319 -12.388 -3.979 15 HA2 GLY 4 1HA GLY 4 5.722 -12.433 -3.810 16 HA3 GLY 4 2HA GLY 4 5.760 -13.438 -5.251 17 H SER 5 H SER 5 7.187 -10.953 -4.704 18 HA SER 5 HA SER 5 5.942 -9.081 -6.579 19 HB2 SER 5 1HB SER 5 6.812 -8.266 -4.366 20 HB3 SER 5 2HB SER 5 8.437 -8.674 -4.915 21 HG SER 5 HG SER 5 7.844 -7.259 -6.792 22 H SER 6 H SER 6 9.173 -10.474 -5.988 23 HA SER 6 HA SER 6 10.916 -10.915 -7.388 24 HB2 SER 6 1HB SER 6 8.583 -11.551 -9.204 25 HB3 SER 6 2HB SER 6 10.260 -11.909 -9.616 26 HG SER 6 HG SER 6 10.168 -13.585 -8.363 27 H GLY 7 H GLY 7 10.312 -8.208 -7.181 28 HA2 GLY 7 1HA GLY 7 10.918 -7.265 -9.917 29 HA3 GLY 7 2HA GLY 7 9.920 -6.347 -8.799 30 H THR 8 H THR 8 12.329 -5.474 -10.120 31 HA THR 8 HA THR 8 14.422 -5.465 -8.130 32 HB THR 8 HB THR 8 14.980 -5.462 -10.534 33 HG1 THR 8 HG1 THR 8 16.352 -3.410 -10.317 34 HG21 THR 8 3HG2 THR 8 13.721 -4.173 -11.864 35 HG22 THR 8 1HG2 THR 8 14.721 -2.827 -11.319 36 HG23 THR 8 2HG2 THR 8 13.186 -3.167 -10.519 37 H GLY 9 H GLY 9 12.158 -4.459 -6.972 38 HA2 GLY 9 1HA GLY 9 12.590 -1.541 -6.926 39 HA3 GLY 9 2HA GLY 9 11.099 -2.342 -6.452 40 H GLU 10 H GLU 10 12.687 -0.433 -4.941 41 HA GLU 10 HA GLU 10 13.565 -2.125 -2.698 42 HB2 GLU 10 1HB GLU 10 14.268 0.749 -3.321 43 HB3 GLU 10 2HB GLU 10 14.834 -0.154 -1.923 44 HG2 GLU 10 1HG GLU 10 15.370 -1.027 -4.744 45 HG3 GLU 10 2HG GLU 10 16.439 0.055 -3.855 46 H ASN 11 H ASN 11 11.383 -2.409 -1.982 47 HA ASN 11 HA ASN 11 10.305 -0.028 -0.621 48 HB2 ASN 11 1HB ASN 11 8.065 -1.386 -0.857 49 HB3 ASN 11 2HB ASN 11 8.652 -0.403 -2.195 50 HD21 ASN 11 1HD2 ASN 11 9.139 -1.352 -4.084 51 HD22 ASN 11 2HD2 ASN 11 9.036 -3.051 -4.381 52 HA PRO 12 HA PRO 12 11.346 -3.147 2.603 53 HB2 PRO 12 1HB PRO 12 12.149 -1.303 4.427 54 HB3 PRO 12 2HB PRO 12 13.219 -1.947 3.176 55 HG2 PRO 12 1HG PRO 12 11.707 0.636 3.230 56 HG3 PRO 12 2HG PRO 12 13.375 0.327 2.713 57 HD2 PRO 12 1HD PRO 12 11.332 0.606 0.957 58 HD3 PRO 12 2HD PRO 12 12.721 -0.455 0.645 59 H TYR 13 H TYR 13 9.072 -0.707 2.192 60 HA TYR 13 HA TYR 13 7.674 -1.514 4.657 61 HB2 TYR 13 1HB TYR 13 7.458 1.196 3.338 62 HB3 TYR 13 2HB TYR 13 6.759 0.703 4.876 63 HD1 TYR 13 HD1 TYR 13 8.276 0.249 6.819 64 HD2 TYR 13 HD2 TYR 13 9.684 1.997 3.204 65 HE1 TYR 13 HE1 TYR 13 10.287 1.042 7.992 66 HE2 TYR 13 HE2 TYR 13 11.699 2.793 4.367 67 HH TYR 13 HH TYR 13 12.888 1.703 6.944 68 H GLU 14 H GLU 14 6.171 -2.911 3.969 69 HA GLU 14 HA GLU 14 4.493 -2.106 1.682 70 HB2 GLU 14 1HB GLU 14 5.626 -4.737 2.481 71 HB3 GLU 14 2HB GLU 14 4.013 -4.733 1.782 72 HG2 GLU 14 1HG GLU 14 4.748 -4.091 -0.272 73 HG3 GLU 14 2HG GLU 14 6.133 -3.213 0.374 74 H CYS 15 H CYS 15 2.277 -2.292 1.862 75 HA CYS 15 HA CYS 15 1.241 -2.214 4.548 76 HB2 CYS 15 1HB CYS 15 0.461 -0.723 2.666 77 HB3 CYS 15 2HB CYS 15 -0.323 -2.134 1.964 78 H HIS 16 H HIS 16 0.962 -4.073 5.601 79 HA HIS 16 HA HIS 16 0.506 -6.570 4.329 80 HB2 HIS 16 1HB HIS 16 0.280 -7.472 6.564 81 HB3 HIS 16 2HB HIS 16 1.610 -6.318 6.543 82 HD1 HIS 16 HD1 HIS 16 -0.434 -7.264 8.960 83 HD2 HIS 16 HD2 HIS 16 -0.177 -3.587 7.043 84 HE1 HIS 16 HE1 HIS 16 -1.415 -5.598 10.567 85 H GLU 17 H GLU 17 -1.532 -3.994 4.851 86 HA GLU 17 HA GLU 17 -3.934 -5.455 5.458 87 HB2 GLU 17 1HB GLU 17 -3.689 -2.639 4.395 88 HB3 GLU 17 2HB GLU 17 -5.073 -3.344 5.218 89 HG2 GLU 17 1HG GLU 17 -3.433 -3.684 7.183 90 HG3 GLU 17 2HG GLU 17 -2.443 -2.491 6.346 91 H CYS 18 H CYS 18 -2.537 -3.929 2.578 92 HA CYS 18 HA CYS 18 -4.455 -5.460 0.945 93 HB2 CYS 18 1HB CYS 18 -4.351 -3.656 -0.724 94 HB3 CYS 18 2HB CYS 18 -4.946 -3.066 0.824 95 H GLY 19 H GLY 19 -1.205 -4.045 1.078 96 HA2 GLY 19 1HA GLY 19 0.574 -5.732 0.513 97 HA3 GLY 19 2HA GLY 19 -0.362 -6.029 -0.944 98 H LYS 20 H LYS 20 -0.226 -2.786 0.181 99 HA LYS 20 HA LYS 20 1.014 -1.888 -2.216 100 HB2 LYS 20 1HB LYS 20 -0.646 -0.699 -0.520 101 HB3 LYS 20 2HB LYS 20 0.859 -0.126 0.187 102 HG2 LYS 20 1HG LYS 20 1.491 0.942 -1.855 103 HG3 LYS 20 2HG LYS 20 0.129 0.216 -2.713 104 HD2 LYS 20 1HD LYS 20 -1.263 1.444 -0.839 105 HD3 LYS 20 2HD LYS 20 0.172 2.470 -0.765 106 HE2 LYS 20 1HE LYS 20 -0.068 2.615 -3.325 107 HE3 LYS 20 2HE LYS 20 -1.702 2.008 -3.061 108 HZ1 LYS 20 3HZ LYS 20 -0.573 4.612 -2.454 109 HZ2 LYS 20 1HZ LYS 20 -1.615 3.979 -1.281 110 HZ3 LYS 20 2HZ LYS 20 -2.157 4.187 -2.869 111 H ALA 21 H ALA 21 2.899 -0.285 -2.084 112 HA ALA 21 HA ALA 21 4.929 -1.145 -0.150 113 HB1 ALA 21 3HB ALA 21 5.690 -2.482 -1.832 114 HB2 ALA 21 1HB ALA 21 5.044 -1.442 -3.102 115 HB3 ALA 21 2HB ALA 21 6.523 -0.987 -2.256 116 H PHE 22 H PHE 22 6.347 0.427 0.473 117 HA PHE 22 HA PHE 22 6.245 3.008 -0.919 118 HB2 PHE 22 1HB PHE 22 6.159 2.809 2.090 119 HB3 PHE 22 2HB PHE 22 5.921 4.240 1.093 120 HD1 PHE 22 HD2 PHE 22 4.442 0.874 1.699 121 HD2 PHE 22 HD1 PHE 22 3.776 4.944 0.646 122 HE1 PHE 22 HE2 PHE 22 2.014 0.479 1.721 123 HE2 PHE 22 HE1 PHE 22 1.347 4.556 0.668 124 HZ PHE 22 HZ PHE 22 0.463 2.321 1.204 125 H SER 23 H SER 23 8.049 4.433 -0.385 126 HA SER 23 HA SER 23 10.511 2.973 -0.283 127 HB2 SER 23 1HB SER 23 9.876 5.225 -1.531 128 HB3 SER 23 2HB SER 23 10.453 5.950 -0.030 129 HG SER 23 HG SER 23 11.852 4.498 -1.968 130 H ARG 24 H ARG 24 8.997 5.417 1.816 131 HA ARG 24 HA ARG 24 10.862 4.639 3.953 132 HB2 ARG 24 1HB ARG 24 9.105 7.066 4.073 133 HB3 ARG 24 2HB ARG 24 10.640 6.769 4.878 134 HG2 ARG 24 1HG ARG 24 11.606 6.760 2.469 135 HG3 ARG 24 2HG ARG 24 10.112 7.606 2.064 136 HD2 ARG 24 1HD ARG 24 10.685 9.472 3.248 137 HD3 ARG 24 2HD ARG 24 11.655 8.568 4.410 138 HE ARG 24 HE ARG 24 13.487 8.840 3.051 139 HH11 ARG 24 1HH1 ARG 24 10.603 9.718 1.310 140 HH12 ARG 24 2HH1 ARG 24 11.464 10.393 -0.034 141 HH21 ARG 24 1HH2 ARG 24 14.631 9.725 1.288 142 HH22 ARG 24 2HH2 ARG 24 13.755 10.396 -0.046 143 H LYS 25 H LYS 25 9.932 4.733 6.190 144 HA LYS 25 HA LYS 25 7.796 2.929 6.433 145 HB2 LYS 25 1HB LYS 25 9.483 3.139 8.167 146 HB3 LYS 25 2HB LYS 25 9.005 4.804 8.474 147 HG2 LYS 25 1HG LYS 25 7.909 3.780 10.177 148 HG3 LYS 25 2HG LYS 25 6.663 3.669 8.932 149 HD2 LYS 25 1HD LYS 25 7.548 1.397 8.367 150 HD3 LYS 25 2HD LYS 25 8.608 1.523 9.773 151 HE2 LYS 25 1HE LYS 25 6.862 0.452 10.756 152 HE3 LYS 25 2HE LYS 25 6.303 2.111 10.962 153 HZ1 LYS 25 3HZ LYS 25 4.599 0.574 10.072 154 HZ2 LYS 25 1HZ LYS 25 5.539 0.375 8.679 155 HZ3 LYS 25 2HZ LYS 25 4.903 1.895 9.060 156 H TYR 26 H TYR 26 7.912 6.416 7.165 157 HA TYR 26 HA TYR 26 5.276 6.777 7.909 158 HB2 TYR 26 1HB TYR 26 5.724 9.010 7.838 159 HB3 TYR 26 2HB TYR 26 7.378 8.429 7.681 160 HD1 TYR 26 HD1 TYR 26 8.463 8.391 5.443 161 HD2 TYR 26 HD2 TYR 26 4.651 10.177 6.061 162 HE1 TYR 26 HE1 TYR 26 8.689 9.597 3.311 163 HE2 TYR 26 HE2 TYR 26 4.866 11.387 3.930 164 HH TYR 26 HH TYR 26 7.356 12.080 2.453 165 H GLN 27 H GLN 27 6.682 6.877 4.655 166 HA GLN 27 HA GLN 27 4.529 7.692 3.168 167 HB2 GLN 27 1HB GLN 27 6.589 5.585 2.512 168 HB3 GLN 27 2HB GLN 27 5.458 6.240 1.336 169 HG2 GLN 27 1HG GLN 27 6.417 8.531 2.031 170 HG3 GLN 27 2HG GLN 27 7.746 7.588 2.704 171 HE21 GLN 27 1HE2 GLN 27 8.396 9.318 0.812 172 HE22 GLN 27 2HE2 GLN 27 8.734 8.528 -0.687 173 H LEU 28 H LEU 28 4.965 4.676 4.825 174 HA LEU 28 HA LEU 28 2.762 3.384 3.450 175 HB2 LEU 28 1HB LEU 28 4.426 1.866 3.993 176 HB3 LEU 28 2HB LEU 28 4.701 2.584 5.579 177 HG LEU 28 HG LEU 28 2.744 1.550 6.470 178 HD11 LEU 28 1HD1 LEU 28 1.882 1.552 3.765 179 HD12 LEU 28 2HD1 LEU 28 0.963 1.153 5.216 180 HD13 LEU 28 3HD1 LEU 28 1.845 -0.109 4.356 181 HD21 LEU 28 3HD2 LEU 28 4.256 -0.099 6.722 182 HD22 LEU 28 1HD2 LEU 28 4.723 -0.077 5.021 183 HD23 LEU 28 2HD2 LEU 28 3.260 -0.924 5.522 184 H ILE 29 H ILE 29 3.474 4.603 6.708 185 HA ILE 29 HA ILE 29 1.133 3.927 7.998 186 HB ILE 29 HB ILE 29 2.977 6.270 8.318 187 HG12 ILE 29 1HG1 ILE 29 3.196 5.080 10.607 188 HG13 ILE 29 2HG1 ILE 29 2.368 3.738 9.825 189 HG21 ILE 29 1HG2 ILE 29 1.241 7.415 9.181 190 HG22 ILE 29 2HG2 ILE 29 0.264 5.966 9.410 191 HG23 ILE 29 3HG2 ILE 29 1.511 6.382 10.585 192 HD11 ILE 29 3HD1 ILE 29 4.871 3.611 9.869 193 HD12 ILE 29 1HD1 ILE 29 4.128 3.440 8.279 194 HD13 ILE 29 2HD1 ILE 29 4.884 4.965 8.740 195 H SER 30 H SER 30 1.797 6.913 6.175 196 HA SER 30 HA SER 30 -0.617 8.199 6.513 197 HB2 SER 30 1HB SER 30 1.229 9.299 5.405 198 HB3 SER 30 2HB SER 30 1.177 8.142 4.076 199 HG SER 30 HG SER 30 -0.883 8.957 3.540 200 H HIS 31 H HIS 31 0.188 5.553 4.353 201 HA HIS 31 HA HIS 31 -2.241 5.651 2.857 202 HB2 HIS 31 1HB HIS 31 -0.339 4.607 1.841 203 HB3 HIS 31 2HB HIS 31 -0.144 3.504 3.199 204 HD1 HIS 31 HD1 HIS 31 -2.529 4.191 0.340 205 HD2 HIS 31 HD2 HIS 31 -1.488 1.138 2.958 206 HE1 HIS 31 HE1 HIS 31 -3.775 2.161 -0.466 207 H GLN 32 H GLN 32 -1.077 3.588 5.511 208 HA GLN 32 HA GLN 32 -3.182 1.864 5.791 209 HB2 GLN 32 1HB GLN 32 -1.704 3.196 8.066 210 HB3 GLN 32 2HB GLN 32 -2.589 1.679 8.150 211 HG2 GLN 32 1HG GLN 32 -0.954 0.933 6.273 212 HG3 GLN 32 2HG GLN 32 0.030 2.274 6.856 213 HE21 GLN 32 1HE2 GLN 32 -0.318 -0.920 7.078 214 HE22 GLN 32 2HE2 GLN 32 0.262 -1.196 8.682 215 H ARG 33 H ARG 33 -3.002 5.223 6.819 216 HA ARG 33 HA ARG 33 -5.095 5.527 8.508 217 HB2 ARG 33 1HB ARG 33 -4.475 7.316 6.149 218 HB3 ARG 33 2HB ARG 33 -5.442 7.772 7.546 219 HG2 ARG 33 1HG ARG 33 -2.639 6.809 7.914 220 HG3 ARG 33 2HG ARG 33 -2.955 8.474 7.422 221 HD2 ARG 33 1HD ARG 33 -2.966 8.760 9.680 222 HD3 ARG 33 2HD ARG 33 -4.664 8.350 9.443 223 HE ARG 33 HE ARG 33 -4.296 6.301 10.461 224 HH11 ARG 33 1HH1 ARG 33 -1.295 8.008 10.006 225 HH12 ARG 33 2HH1 ARG 33 -0.390 6.957 11.044 226 HH21 ARG 33 1HH2 ARG 33 -3.114 4.911 11.830 227 HH22 ARG 33 2HH2 ARG 33 -1.424 5.195 12.080 228 H THR 34 H THR 34 -5.330 5.265 4.978 229 HA THR 34 HA THR 34 -8.074 5.654 4.709 230 HB THR 34 HB THR 34 -7.926 4.641 2.563 231 HG1 THR 34 HG1 THR 34 -5.383 3.545 3.119 232 HG21 THR 34 3HG2 THR 34 -5.315 5.416 2.084 233 HG22 THR 34 1HG2 THR 34 -5.774 6.364 3.498 234 HG23 THR 34 2HG2 THR 34 -6.735 6.459 2.022 235 H HIS 35 H HIS 35 -6.259 2.781 5.602 236 HA HIS 35 HA HIS 35 -8.444 0.967 5.402 237 HB2 HIS 35 1HB HIS 35 -5.736 0.859 6.699 238 HB3 HIS 35 2HB HIS 35 -6.909 -0.428 6.966 239 HD1 HIS 35 HD1 HIS 35 -7.805 -1.586 4.655 240 HD2 HIS 35 HD2 HIS 35 -4.244 0.546 4.456 241 HE1 HIS 35 HE1 HIS 35 -6.671 -2.366 2.551 242 H ALA 36 H ALA 36 -7.082 2.908 8.011 243 HA ALA 36 HA ALA 36 -8.394 1.842 10.196 244 HB1 ALA 36 3HB ALA 36 -6.987 4.258 9.587 245 HB2 ALA 36 1HB ALA 36 -8.409 4.631 10.563 246 HB3 ALA 36 2HB ALA 36 -7.219 3.466 11.146 247 H GLY 37 H GLY 37 -10.237 2.798 11.419 248 HA2 GLY 37 1HA GLY 37 -12.201 4.441 10.728 249 HA3 GLY 37 2HA GLY 37 -12.498 3.124 9.604 250 H GLU 38 H GLU 38 -14.549 2.789 10.579 251 HA GLU 38 HA GLU 38 -14.707 2.050 13.359 252 HB2 GLU 38 1HB GLU 38 -17.078 1.630 12.891 253 HB3 GLU 38 2HB GLU 38 -16.575 3.206 12.297 254 HG2 GLU 38 1HG GLU 38 -16.263 2.064 10.039 255 HG3 GLU 38 2HG GLU 38 -17.177 0.724 10.730 256 H LYS 39 H LYS 39 -13.763 0.184 13.915 257 HA LYS 39 HA LYS 39 -14.702 -2.256 12.611 258 HB2 LYS 39 1HB LYS 39 -11.887 -1.299 12.709 259 HB3 LYS 39 2HB LYS 39 -12.166 -3.015 12.979 260 HG2 LYS 39 1HG LYS 39 -13.216 -3.247 10.841 261 HG3 LYS 39 2HG LYS 39 -13.175 -1.501 10.581 262 HD2 LYS 39 1HD LYS 39 -10.712 -3.200 10.947 263 HD3 LYS 39 2HD LYS 39 -11.397 -2.793 9.372 264 HE2 LYS 39 1HE LYS 39 -10.321 -0.883 11.442 265 HE3 LYS 39 2HE LYS 39 -9.611 -1.260 9.873 266 HZ1 LYS 39 3HZ LYS 39 -10.775 0.829 9.774 267 HZ2 LYS 39 1HZ LYS 39 -12.200 0.116 10.341 268 HZ3 LYS 39 2HZ LYS 39 -11.590 -0.305 8.821 269 HA PRO 40 HA PRO 40 -14.911 -3.920 16.665 270 HB2 PRO 40 1HB PRO 40 -14.152 -6.500 16.292 271 HB3 PRO 40 2HB PRO 40 -15.703 -5.864 15.732 272 HG2 PRO 40 1HG PRO 40 -13.173 -6.312 14.196 273 HG3 PRO 40 2HG PRO 40 -14.845 -6.668 13.725 274 HD2 PRO 40 1HD PRO 40 -13.521 -4.475 12.849 275 HD3 PRO 40 2HD PRO 40 -15.275 -4.484 13.126 276 H SER 41 H SER 41 -12.008 -3.335 15.221 277 HA SER 41 HA SER 41 -10.341 -4.638 17.217 278 HB2 SER 41 1HB SER 41 -9.753 -2.995 14.760 279 HB3 SER 41 2HB SER 41 -8.489 -3.415 15.916 280 HG SER 41 HG SER 41 -9.380 -4.889 13.947 281 H GLY 42 H GLY 42 -9.614 -3.695 19.014 282 HA2 GLY 42 1HA GLY 42 -10.422 -0.980 19.603 283 HA3 GLY 42 2HA GLY 42 -9.632 -2.099 20.705 284 HA PRO 43 HA PRO 43 -6.652 1.216 19.167 285 HB2 PRO 43 1HB PRO 43 -6.198 2.377 21.579 286 HB3 PRO 43 2HB PRO 43 -7.492 2.894 20.492 287 HG2 PRO 43 1HG PRO 43 -7.633 1.109 22.891 288 HG3 PRO 43 2HG PRO 43 -8.733 2.410 22.399 289 HD2 PRO 43 1HD PRO 43 -9.286 -0.206 21.968 290 HD3 PRO 43 2HD PRO 43 -9.825 1.079 20.866 291 H SER 44 H SER 44 -4.386 1.418 19.783 292 HA SER 44 HA SER 44 -3.390 -1.076 20.938 293 HB2 SER 44 1HB SER 44 -2.611 -0.215 18.674 294 HB3 SER 44 2HB SER 44 -1.763 1.058 19.551 295 HG SER 44 HG SER 44 -0.780 -1.226 19.015 296 H SER 45 H SER 45 -3.476 -0.805 23.129 297 HA SER 45 HA SER 45 -3.038 1.408 24.657 298 HB2 SER 45 1HB SER 45 -2.534 -1.502 25.127 299 HB3 SER 45 2HB SER 45 -1.978 -0.340 26.331 300 HG SER 45 HG SER 45 -3.979 0.043 26.892 301 H GLY 46 H GLY 46 -1.193 2.123 25.933 302 HA2 GLY 46 1HA GLY 46 0.986 2.808 26.176 303 HA3 GLY 46 2HA GLY 46 1.460 1.328 25.355 Start of MODEL 13 1 H1 GLY 1 H GLY 1 5.307 -22.312 -17.836 2 HA2 GLY 1 1HA GLY 1 7.053 -22.305 -16.014 3 HA3 GLY 1 2HA GLY 1 7.255 -20.606 -16.414 4 H SER 2 H SER 2 6.722 -21.191 -13.855 5 HA SER 2 HA SER 2 3.838 -20.824 -13.474 6 HB2 SER 2 1HB SER 2 5.121 -22.602 -12.188 7 HB3 SER 2 2HB SER 2 5.908 -21.284 -11.321 8 HG SER 2 HG SER 2 3.339 -20.773 -11.246 9 H SER 3 H SER 3 3.189 -18.780 -13.467 10 HA SER 3 HA SER 3 4.868 -16.558 -13.038 11 HB2 SER 3 1HB SER 3 2.828 -15.225 -13.091 12 HB3 SER 3 2HB SER 3 2.754 -16.471 -14.337 13 HG SER 3 HG SER 3 1.003 -17.147 -13.418 14 H GLY 4 H GLY 4 4.275 -14.831 -11.348 15 HA2 GLY 4 1HA GLY 4 3.214 -14.750 -9.024 16 HA3 GLY 4 2HA GLY 4 4.196 -16.176 -8.725 17 H SER 5 H SER 5 6.607 -15.693 -9.599 18 HA SER 5 HA SER 5 7.831 -14.100 -7.738 19 HB2 SER 5 1HB SER 5 9.803 -14.069 -9.304 20 HB3 SER 5 2HB SER 5 9.128 -15.672 -9.015 21 HG SER 5 HG SER 5 8.083 -15.545 -11.007 22 H SER 6 H SER 6 7.702 -12.001 -7.353 23 HA SER 6 HA SER 6 8.165 -10.049 -9.378 24 HB2 SER 6 1HB SER 6 5.963 -8.873 -9.103 25 HB3 SER 6 2HB SER 6 5.853 -10.416 -9.948 26 HG SER 6 HG SER 6 5.495 -11.127 -7.546 27 H GLY 7 H GLY 7 7.949 -7.789 -8.469 28 HA2 GLY 7 1HA GLY 7 7.575 -6.670 -6.201 29 HA3 GLY 7 2HA GLY 7 8.731 -7.862 -5.626 30 H THR 8 H THR 8 8.455 -5.461 -8.249 31 HA THR 8 HA THR 8 11.322 -4.958 -8.069 32 HB THR 8 HB THR 8 10.307 -5.205 -10.304 33 HG1 THR 8 HG1 THR 8 11.232 -3.238 -11.151 34 HG21 THR 8 3HG2 THR 8 8.297 -3.564 -9.241 35 HG22 THR 8 1HG2 THR 8 8.415 -4.179 -10.889 36 HG23 THR 8 2HG2 THR 8 9.091 -2.601 -10.486 37 H GLY 9 H GLY 9 12.234 -3.012 -7.489 38 HA2 GLY 9 1HA GLY 9 12.057 -0.646 -7.031 39 HA3 GLY 9 2HA GLY 9 10.396 -0.917 -6.528 40 H GLU 10 H GLU 10 12.868 0.250 -5.195 41 HA GLU 10 HA GLU 10 13.392 -1.543 -3.002 42 HB2 GLU 10 1HB GLU 10 14.898 0.355 -4.078 43 HB3 GLU 10 2HB GLU 10 14.093 1.354 -2.877 44 HG2 GLU 10 1HG GLU 10 15.863 -1.025 -2.431 45 HG3 GLU 10 2HG GLU 10 16.101 0.637 -1.892 46 H ASN 11 H ASN 11 11.187 -1.829 -2.288 47 HA ASN 11 HA ASN 11 10.271 0.404 -0.598 48 HB2 ASN 11 1HB ASN 11 8.382 -1.605 -1.804 49 HB3 ASN 11 2HB ASN 11 8.015 -0.025 -1.119 50 HD21 ASN 11 1HD2 ASN 11 7.664 -1.415 -3.826 51 HD22 ASN 11 2HD2 ASN 11 8.195 -0.222 -4.958 52 HA PRO 12 HA PRO 12 11.134 -3.219 2.113 53 HB2 PRO 12 1HB PRO 12 12.096 -1.722 4.163 54 HB3 PRO 12 2HB PRO 12 13.098 -2.250 2.806 55 HG2 PRO 12 1HG PRO 12 11.781 0.398 3.271 56 HG3 PRO 12 2HG PRO 12 13.413 0.051 2.673 57 HD2 PRO 12 1HD PRO 12 11.372 0.726 1.027 58 HD3 PRO 12 2HD PRO 12 12.674 -0.374 0.531 59 H TYR 13 H TYR 13 9.034 -0.598 2.110 60 HA TYR 13 HA TYR 13 7.690 -1.555 4.553 61 HB2 TYR 13 1HB TYR 13 7.447 1.190 3.308 62 HB3 TYR 13 2HB TYR 13 6.764 0.661 4.842 63 HD1 TYR 13 HD2 TYR 13 9.818 1.692 3.104 64 HD2 TYR 13 HD1 TYR 13 8.161 0.428 6.814 65 HE1 TYR 13 HE2 TYR 13 11.854 2.440 4.262 66 HE2 TYR 13 HE1 TYR 13 10.193 1.173 7.982 67 HH TYR 13 HH TYR 13 12.787 1.505 7.134 68 H GLU 14 H GLU 14 6.157 -2.934 3.897 69 HA GLU 14 HA GLU 14 4.390 -2.083 1.697 70 HB2 GLU 14 1HB GLU 14 5.549 -4.726 2.405 71 HB3 GLU 14 2HB GLU 14 3.902 -4.714 1.790 72 HG2 GLU 14 1HG GLU 14 4.530 -4.043 -0.291 73 HG3 GLU 14 2HG GLU 14 5.949 -3.177 0.294 74 H CYS 15 H CYS 15 2.186 -2.237 1.967 75 HA CYS 15 HA CYS 15 1.232 -2.108 4.658 76 HB2 CYS 15 1HB CYS 15 0.311 -0.782 2.725 77 HB3 CYS 15 2HB CYS 15 -0.415 -2.272 2.130 78 H HIS 16 H HIS 16 0.532 -3.709 5.902 79 HA HIS 16 HA HIS 16 0.326 -6.386 4.817 80 HB2 HIS 16 1HB HIS 16 0.072 -7.081 7.163 81 HB3 HIS 16 2HB HIS 16 1.480 -6.047 6.948 82 HD1 HIS 16 HD1 HIS 16 1.583 -5.077 9.272 83 HD2 HIS 16 HD2 HIS 16 -2.148 -4.630 7.501 84 HE1 HIS 16 HE1 HIS 16 0.294 -3.549 10.798 85 H GLU 17 H GLU 17 -1.702 -4.158 4.330 86 HA GLU 17 HA GLU 17 -4.089 -5.603 5.276 87 HB2 GLU 17 1HB GLU 17 -3.890 -2.714 4.408 88 HB3 GLU 17 2HB GLU 17 -5.319 -3.513 5.049 89 HG2 GLU 17 1HG GLU 17 -4.011 -3.922 7.157 90 HG3 GLU 17 2HG GLU 17 -2.772 -2.856 6.498 91 H CYS 18 H CYS 18 -2.902 -3.659 2.535 92 HA CYS 18 HA CYS 18 -4.711 -5.172 0.776 93 HB2 CYS 18 1HB CYS 18 -4.455 -3.311 -0.816 94 HB3 CYS 18 2HB CYS 18 -5.077 -2.757 0.735 95 H GLY 19 H GLY 19 -1.408 -3.871 0.977 96 HA2 GLY 19 1HA GLY 19 0.327 -5.609 0.425 97 HA3 GLY 19 2HA GLY 19 -0.606 -5.876 -1.040 98 H LYS 20 H LYS 20 -0.353 -2.645 0.123 99 HA LYS 20 HA LYS 20 0.927 -1.779 -2.272 100 HB2 LYS 20 1HB LYS 20 -0.725 -0.545 -0.602 101 HB3 LYS 20 2HB LYS 20 0.784 -0.014 0.128 102 HG2 LYS 20 1HG LYS 20 1.347 1.296 -1.645 103 HG3 LYS 20 2HG LYS 20 0.491 0.282 -2.809 104 HD2 LYS 20 1HD LYS 20 -1.610 1.143 -1.428 105 HD3 LYS 20 2HD LYS 20 -0.519 2.490 -1.097 106 HE2 LYS 20 1HE LYS 20 -1.949 2.855 -3.085 107 HE3 LYS 20 2HE LYS 20 -0.225 2.895 -3.452 108 HZ1 LYS 20 3HZ LYS 20 -1.167 0.261 -3.733 109 HZ2 LYS 20 1HZ LYS 20 -0.518 1.281 -4.916 110 HZ3 LYS 20 2HZ LYS 20 -2.182 1.290 -4.612 111 H ALA 21 H ALA 21 2.826 -0.141 -2.019 112 HA ALA 21 HA ALA 21 4.813 -1.099 -0.094 113 HB1 ALA 21 3HB ALA 21 4.892 -1.522 -2.992 114 HB2 ALA 21 1HB ALA 21 6.366 -0.832 -2.312 115 HB3 ALA 21 2HB ALA 21 5.743 -2.363 -1.696 116 H PHE 22 H PHE 22 6.385 0.401 0.458 117 HA PHE 22 HA PHE 22 6.316 3.012 -0.857 118 HB2 PHE 22 1HB PHE 22 6.129 2.739 2.146 119 HB3 PHE 22 2HB PHE 22 6.046 4.223 1.201 120 HD1 PHE 22 HD2 PHE 22 4.285 0.989 1.720 121 HD2 PHE 22 HD1 PHE 22 3.991 5.077 0.570 122 HE1 PHE 22 HE2 PHE 22 1.835 0.781 1.619 123 HE2 PHE 22 HE1 PHE 22 1.541 4.876 0.468 124 HZ PHE 22 HZ PHE 22 0.460 2.726 0.992 125 H SER 23 H SER 23 8.163 4.352 -0.370 126 HA SER 23 HA SER 23 10.572 2.821 -0.187 127 HB2 SER 23 1HB SER 23 10.030 5.063 -1.495 128 HB3 SER 23 2HB SER 23 10.605 5.804 -0.002 129 HG SER 23 HG SER 23 12.000 4.049 -1.731 130 H ARG 24 H ARG 24 9.099 5.350 1.838 131 HA ARG 24 HA ARG 24 10.946 4.621 4.002 132 HB2 ARG 24 1HB ARG 24 9.105 6.991 4.074 133 HB3 ARG 24 2HB ARG 24 10.632 6.752 4.913 134 HG2 ARG 24 1HG ARG 24 11.662 6.756 2.541 135 HG3 ARG 24 2HG ARG 24 10.142 7.518 2.068 136 HD2 ARG 24 1HD ARG 24 10.590 9.439 3.211 137 HD3 ARG 24 2HD ARG 24 11.544 8.612 4.441 138 HE ARG 24 HE ARG 24 12.490 9.690 1.931 139 HH11 ARG 24 1HH1 ARG 24 13.125 7.552 4.604 140 HH12 ARG 24 2HH1 ARG 24 14.841 7.553 4.366 141 HH21 ARG 24 1HH2 ARG 24 14.748 9.700 1.608 142 HH22 ARG 24 2HH2 ARG 24 15.763 8.775 2.662 143 H LYS 25 H LYS 25 9.890 4.949 6.257 144 HA LYS 25 HA LYS 25 7.826 3.004 6.496 145 HB2 LYS 25 1HB LYS 25 9.456 3.160 8.245 146 HB3 LYS 25 2HB LYS 25 9.111 4.866 8.495 147 HG2 LYS 25 1HG LYS 25 7.968 3.973 10.247 148 HG3 LYS 25 2HG LYS 25 6.697 3.951 9.022 149 HD2 LYS 25 1HD LYS 25 8.474 1.579 9.210 150 HD3 LYS 25 2HD LYS 25 7.286 1.817 10.494 151 HE2 LYS 25 1HE LYS 25 5.487 1.823 8.910 152 HE3 LYS 25 2HE LYS 25 6.615 1.825 7.555 153 HZ1 LYS 25 3HZ LYS 25 5.862 -0.374 9.343 154 HZ2 LYS 25 1HZ LYS 25 7.419 -0.372 8.679 155 HZ3 LYS 25 2HZ LYS 25 6.066 -0.374 7.664 156 H TYR 26 H TYR 26 7.923 6.503 7.159 157 HA TYR 26 HA TYR 26 5.271 6.829 7.922 158 HB2 TYR 26 1HB TYR 26 5.703 9.066 7.883 159 HB3 TYR 26 2HB TYR 26 7.363 8.498 7.743 160 HD1 TYR 26 HD1 TYR 26 8.352 8.297 5.390 161 HD2 TYR 26 HD2 TYR 26 4.777 10.445 6.235 162 HE1 TYR 26 HE1 TYR 26 8.600 9.530 3.276 163 HE2 TYR 26 HE2 TYR 26 5.015 11.683 4.123 164 HH TYR 26 HH TYR 26 7.776 11.112 1.960 165 H GLN 27 H GLN 27 6.714 6.812 4.699 166 HA GLN 27 HA GLN 27 4.586 7.691 3.178 167 HB2 GLN 27 1HB GLN 27 6.672 5.597 2.575 168 HB3 GLN 27 2HB GLN 27 5.529 6.183 1.374 169 HG2 GLN 27 1HG GLN 27 6.457 8.527 2.119 170 HG3 GLN 27 2HG GLN 27 7.842 7.562 2.628 171 HE21 GLN 27 1HE2 GLN 27 9.011 8.773 1.019 172 HE22 GLN 27 2HE2 GLN 27 8.945 8.283 -0.636 173 H LEU 28 H LEU 28 5.014 4.644 4.801 174 HA LEU 28 HA LEU 28 2.801 3.384 3.420 175 HB2 LEU 28 1HB LEU 28 4.429 1.836 3.951 176 HB3 LEU 28 2HB LEU 28 4.747 2.559 5.527 177 HG LEU 28 HG LEU 28 2.706 1.598 6.413 178 HD11 LEU 28 1HD1 LEU 28 2.266 0.816 3.563 179 HD12 LEU 28 2HD1 LEU 28 1.149 1.560 4.707 180 HD13 LEU 28 3HD1 LEU 28 1.570 -0.145 4.868 181 HD21 LEU 28 3HD2 LEU 28 3.469 -0.902 5.405 182 HD22 LEU 28 1HD2 LEU 28 4.012 -0.131 6.895 183 HD23 LEU 28 2HD2 LEU 28 4.930 0.087 5.405 184 H ILE 29 H ILE 29 3.513 4.518 6.713 185 HA ILE 29 HA ILE 29 1.166 3.860 7.983 186 HB ILE 29 HB ILE 29 3.033 6.179 8.330 187 HG12 ILE 29 1HG1 ILE 29 3.209 4.989 10.617 188 HG13 ILE 29 2HG1 ILE 29 2.352 3.664 9.838 189 HG21 ILE 29 1HG2 ILE 29 1.572 6.365 10.571 190 HG22 ILE 29 2HG2 ILE 29 1.272 7.344 9.136 191 HG23 ILE 29 3HG2 ILE 29 0.309 5.897 9.433 192 HD11 ILE 29 3HD1 ILE 29 4.853 4.807 8.658 193 HD12 ILE 29 1HD1 ILE 29 4.902 3.576 9.919 194 HD13 ILE 29 2HD1 ILE 29 4.113 3.231 8.380 195 H SER 30 H SER 30 1.842 6.847 6.167 196 HA SER 30 HA SER 30 -0.559 8.153 6.519 197 HB2 SER 30 1HB SER 30 1.470 9.051 5.336 198 HB3 SER 30 2HB SER 30 0.997 8.106 3.925 199 HG SER 30 HG SER 30 -0.920 9.298 3.829 200 H HIS 31 H HIS 31 0.222 5.532 4.309 201 HA HIS 31 HA HIS 31 -2.207 5.639 2.835 202 HB2 HIS 31 1HB HIS 31 -0.352 4.554 1.806 203 HB3 HIS 31 2HB HIS 31 -0.119 3.490 3.189 204 HD1 HIS 31 HD1 HIS 31 -2.443 4.038 0.272 205 HD2 HIS 31 HD2 HIS 31 -1.580 1.156 3.137 206 HE1 HIS 31 HE1 HIS 31 -3.725 1.990 -0.427 207 H GLN 32 H GLN 32 -1.077 3.499 5.449 208 HA GLN 32 HA GLN 32 -3.236 1.854 5.739 209 HB2 GLN 32 1HB GLN 32 -1.683 3.101 8.013 210 HB3 GLN 32 2HB GLN 32 -2.621 1.616 8.089 211 HG2 GLN 32 1HG GLN 32 -1.065 0.765 6.243 212 HG3 GLN 32 2HG GLN 32 -0.034 2.129 6.674 213 HE21 GLN 32 1HE2 GLN 32 -0.635 -1.059 7.237 214 HE22 GLN 32 2HE2 GLN 32 0.136 -1.229 8.773 215 H ARG 33 H ARG 33 -3.007 5.227 6.570 216 HA ARG 33 HA ARG 33 -5.029 5.594 8.378 217 HB2 ARG 33 1HB ARG 33 -4.498 7.353 5.977 218 HB3 ARG 33 2HB ARG 33 -5.305 7.836 7.463 219 HG2 ARG 33 1HG ARG 33 -2.457 6.875 7.344 220 HG3 ARG 33 2HG ARG 33 -2.932 8.573 7.268 221 HD2 ARG 33 1HD ARG 33 -4.139 8.202 9.455 222 HD3 ARG 33 2HD ARG 33 -3.333 6.636 9.536 223 HE ARG 33 HE ARG 33 -1.284 8.355 9.168 224 HH11 ARG 33 1HH1 ARG 33 -3.937 8.263 11.420 225 HH12 ARG 33 2HH1 ARG 33 -3.060 9.057 12.686 226 HH21 ARG 33 1HH2 ARG 33 -0.119 9.401 10.827 227 HH22 ARG 33 2HH2 ARG 33 -0.889 9.704 12.347 228 H THR 34 H THR 34 -5.314 5.043 4.910 229 HA THR 34 HA THR 34 -8.051 5.589 4.630 230 HB THR 34 HB THR 34 -7.971 4.417 2.553 231 HG1 THR 34 HG1 THR 34 -5.606 3.190 3.569 232 HG21 THR 34 3HG2 THR 34 -6.787 6.255 1.988 233 HG22 THR 34 1HG2 THR 34 -5.440 5.123 1.872 234 HG23 THR 34 2HG2 THR 34 -5.669 6.075 3.340 235 H HIS 35 H HIS 35 -6.338 2.649 5.565 236 HA HIS 35 HA HIS 35 -8.657 0.987 5.576 237 HB2 HIS 35 1HB HIS 35 -5.910 0.672 6.786 238 HB3 HIS 35 2HB HIS 35 -7.161 -0.560 6.923 239 HD1 HIS 35 HD1 HIS 35 -8.079 -1.456 4.505 240 HD2 HIS 35 HD2 HIS 35 -4.391 0.457 4.549 241 HE1 HIS 35 HE1 HIS 35 -6.950 -2.122 2.359 242 H ALA 36 H ALA 36 -6.891 2.796 8.048 243 HA ALA 36 HA ALA 36 -8.114 1.892 10.342 244 HB1 ALA 36 3HB ALA 36 -7.855 4.686 10.637 245 HB2 ALA 36 1HB ALA 36 -6.749 3.424 11.180 246 HB3 ALA 36 2HB ALA 36 -6.545 4.150 9.585 247 H GLY 37 H GLY 37 -9.225 4.517 8.204 248 HA2 GLY 37 1HA GLY 37 -11.797 4.511 9.631 249 HA3 GLY 37 2HA GLY 37 -11.209 5.801 8.592 250 H GLU 38 H GLU 38 -12.852 5.930 7.148 251 HA GLU 38 HA GLU 38 -14.138 5.409 5.345 252 HB2 GLU 38 1HB GLU 38 -11.842 3.530 5.102 253 HB3 GLU 38 2HB GLU 38 -13.251 3.224 4.096 254 HG2 GLU 38 1HG GLU 38 -13.084 5.481 3.176 255 HG3 GLU 38 2HG GLU 38 -11.667 5.783 4.180 256 H LYS 39 H LYS 39 -15.187 4.625 7.715 257 HA LYS 39 HA LYS 39 -16.450 2.046 7.055 258 HB2 LYS 39 1HB LYS 39 -14.873 2.056 9.072 259 HB3 LYS 39 2HB LYS 39 -16.078 3.058 9.869 260 HG2 LYS 39 1HG LYS 39 -17.729 1.306 9.655 261 HG3 LYS 39 2HG LYS 39 -16.587 0.307 8.753 262 HD2 LYS 39 1HD LYS 39 -15.077 0.492 10.808 263 HD3 LYS 39 2HD LYS 39 -16.505 1.096 11.652 264 HE2 LYS 39 1HE LYS 39 -16.328 -1.544 10.203 265 HE3 LYS 39 2HE LYS 39 -16.169 -1.333 11.946 266 HZ1 LYS 39 3HZ LYS 39 -18.394 -0.719 12.147 267 HZ2 LYS 39 1HZ LYS 39 -18.433 -2.002 11.044 268 HZ3 LYS 39 2HZ LYS 39 -18.571 -0.409 10.493 269 HA PRO 40 HA PRO 40 -20.224 4.332 7.060 270 HB2 PRO 40 1HB PRO 40 -21.942 2.241 7.270 271 HB3 PRO 40 2HB PRO 40 -21.074 2.625 5.779 272 HG2 PRO 40 1HG PRO 40 -20.442 0.571 7.863 273 HG3 PRO 40 2HG PRO 40 -20.382 0.428 6.096 274 HD2 PRO 40 1HD PRO 40 -18.167 0.829 7.602 275 HD3 PRO 40 2HD PRO 40 -18.333 1.473 5.956 276 H SER 41 H SER 41 -18.846 2.992 9.704 277 HA SER 41 HA SER 41 -20.527 2.405 11.668 278 HB2 SER 41 1HB SER 41 -18.226 4.335 11.685 279 HB3 SER 41 2HB SER 41 -19.153 4.051 13.158 280 HG SER 41 HG SER 41 -18.538 1.943 13.147 281 H GLY 42 H GLY 42 -19.857 5.843 10.957 282 HA2 GLY 42 1HA GLY 42 -22.604 6.437 11.875 283 HA3 GLY 42 2HA GLY 42 -21.236 7.493 12.193 284 HA PRO 43 HA PRO 43 -22.606 7.781 7.518 285 HB2 PRO 43 1HB PRO 43 -25.289 7.492 7.216 286 HB3 PRO 43 2HB PRO 43 -24.154 6.146 7.058 287 HG2 PRO 43 1HG PRO 43 -25.860 6.921 9.393 288 HG3 PRO 43 2HG PRO 43 -25.546 5.310 8.723 289 HD2 PRO 43 1HD PRO 43 -24.281 6.243 10.928 290 HD3 PRO 43 2HD PRO 43 -23.507 5.129 9.782 291 H SER 44 H SER 44 -22.146 9.942 7.820 292 HA SER 44 HA SER 44 -24.369 11.650 8.726 293 HB2 SER 44 1HB SER 44 -22.594 13.364 9.176 294 HB3 SER 44 2HB SER 44 -22.449 11.913 10.166 295 HG SER 44 HG SER 44 -20.879 11.176 8.605 296 H SER 45 H SER 45 -21.507 11.910 6.607 297 HA SER 45 HA SER 45 -23.131 13.515 4.755 298 HB2 SER 45 1HB SER 45 -21.073 14.454 3.926 299 HB3 SER 45 2HB SER 45 -21.030 14.531 5.688 300 HG SER 45 HG SER 45 -19.347 13.282 5.663 301 H GLY 46 H GLY 46 -23.592 10.809 4.668 302 HA2 GLY 46 1HA GLY 46 -22.902 10.229 1.938 303 HA3 GLY 46 2HA GLY 46 -22.100 9.164 3.084 Start of MODEL 14 1 H1 GLY 1 H GLY 1 6.389 -21.975 4.712 2 HA2 GLY 1 1HA GLY 1 7.214 -24.526 5.112 3 HA3 GLY 1 2HA GLY 1 5.742 -24.736 4.174 4 H SER 2 H SER 2 5.704 -24.164 2.012 5 HA SER 2 HA SER 2 7.870 -24.583 0.448 6 HB2 SER 2 1HB SER 2 6.690 -23.574 -1.373 7 HB3 SER 2 2HB SER 2 5.472 -24.277 -0.309 8 HG SER 2 HG SER 2 5.585 -21.807 -1.136 9 H SER 3 H SER 3 9.309 -23.244 -0.768 10 HA SER 3 HA SER 3 9.913 -20.683 0.561 11 HB2 SER 3 1HB SER 3 11.895 -22.551 -0.759 12 HB3 SER 3 2HB SER 3 12.269 -21.078 0.136 13 HG SER 3 HG SER 3 10.895 -22.426 1.817 14 H GLY 4 H GLY 4 9.445 -19.020 -0.709 15 HA2 GLY 4 1HA GLY 4 10.263 -19.129 -3.525 16 HA3 GLY 4 2HA GLY 4 8.593 -18.726 -3.155 17 H SER 5 H SER 5 9.182 -16.751 -4.372 18 HA SER 5 HA SER 5 11.051 -14.885 -3.409 19 HB2 SER 5 1HB SER 5 10.024 -13.308 -4.884 20 HB3 SER 5 2HB SER 5 9.925 -14.879 -5.679 21 HG SER 5 HG SER 5 7.942 -13.714 -5.754 22 H SER 6 H SER 6 10.922 -13.223 -1.972 23 HA SER 6 HA SER 6 8.488 -13.124 -0.314 24 HB2 SER 6 1HB SER 6 11.395 -12.723 0.376 25 HB3 SER 6 2HB SER 6 10.105 -12.140 1.428 26 HG SER 6 HG SER 6 10.127 -14.097 2.185 27 H GLY 7 H GLY 7 11.035 -11.176 -1.810 28 HA2 GLY 7 1HA GLY 7 9.179 -8.987 -2.156 29 HA3 GLY 7 2HA GLY 7 10.485 -8.646 -1.030 30 H THR 8 H THR 8 9.534 -8.384 -4.178 31 HA THR 8 HA THR 8 12.297 -8.410 -5.194 32 HB THR 8 HB THR 8 10.899 -9.850 -6.509 33 HG1 THR 8 HG1 THR 8 12.297 -8.022 -7.522 34 HG21 THR 8 3HG2 THR 8 8.901 -7.873 -5.973 35 HG22 THR 8 1HG2 THR 8 8.707 -9.483 -6.665 36 HG23 THR 8 2HG2 THR 8 9.035 -8.105 -7.716 37 H GLY 9 H GLY 9 9.758 -6.371 -4.258 38 HA2 GLY 9 1HA GLY 9 10.481 -4.181 -6.023 39 HA3 GLY 9 2HA GLY 9 9.246 -4.152 -4.774 40 H GLU 10 H GLU 10 11.368 -2.211 -5.385 41 HA GLU 10 HA GLU 10 13.273 -2.413 -3.231 42 HB2 GLU 10 1HB GLU 10 12.693 -0.372 -5.353 43 HB3 GLU 10 2HB GLU 10 13.752 0.024 -4.007 44 HG2 GLU 10 1HG GLU 10 14.847 -0.793 -6.140 45 HG3 GLU 10 2HG GLU 10 15.342 -1.567 -4.636 46 H ASN 11 H ASN 11 10.733 -2.562 -2.188 47 HA ASN 11 HA ASN 11 10.553 -0.024 -0.711 48 HB2 ASN 11 1HB ASN 11 8.200 -1.729 -1.558 49 HB3 ASN 11 2HB ASN 11 8.122 -0.224 -0.645 50 HD21 ASN 11 1HD2 ASN 11 8.754 1.728 -1.703 51 HD22 ASN 11 2HD2 ASN 11 8.623 1.866 -3.420 52 HA PRO 12 HA PRO 12 11.272 -3.206 2.439 53 HB2 PRO 12 1HB PRO 12 12.190 -1.452 4.296 54 HB3 PRO 12 2HB PRO 12 13.204 -2.095 2.999 55 HG2 PRO 12 1HG PRO 12 11.794 0.540 3.171 56 HG3 PRO 12 2HG PRO 12 13.435 0.184 2.601 57 HD2 PRO 12 1HD PRO 12 11.362 0.595 0.908 58 HD3 PRO 12 2HD PRO 12 12.701 -0.508 0.529 59 H TYR 13 H TYR 13 9.071 -0.691 2.148 60 HA TYR 13 HA TYR 13 7.722 -1.495 4.641 61 HB2 TYR 13 1HB TYR 13 7.551 1.234 3.352 62 HB3 TYR 13 2HB TYR 13 6.858 0.744 4.895 63 HD1 TYR 13 HD1 TYR 13 8.368 0.262 6.822 64 HD2 TYR 13 HD2 TYR 13 9.817 1.933 3.187 65 HE1 TYR 13 HE1 TYR 13 10.417 0.982 7.977 66 HE2 TYR 13 HE2 TYR 13 11.870 2.656 4.331 67 HH TYR 13 HH TYR 13 13.177 1.866 6.443 68 H GLU 14 H GLU 14 6.224 -2.899 3.914 69 HA GLU 14 HA GLU 14 4.478 -2.008 1.713 70 HB2 GLU 14 1HB GLU 14 5.601 -4.664 2.426 71 HB3 GLU 14 2HB GLU 14 3.957 -4.636 1.804 72 HG2 GLU 14 1HG GLU 14 4.601 -3.980 -0.275 73 HG3 GLU 14 2HG GLU 14 6.018 -3.114 0.314 74 H CYS 15 H CYS 15 2.248 -2.264 1.921 75 HA CYS 15 HA CYS 15 1.278 -2.131 4.631 76 HB2 CYS 15 1HB CYS 15 0.449 -0.722 2.671 77 HB3 CYS 15 2HB CYS 15 -0.400 -2.165 2.125 78 H HIS 16 H HIS 16 1.018 -3.953 5.743 79 HA HIS 16 HA HIS 16 0.572 -6.491 4.540 80 HB2 HIS 16 1HB HIS 16 0.314 -7.304 6.851 81 HB3 HIS 16 2HB HIS 16 1.739 -6.285 6.678 82 HD1 HIS 16 HD1 HIS 16 1.944 -5.246 8.932 83 HD2 HIS 16 HD2 HIS 16 -1.930 -5.026 7.446 84 HE1 HIS 16 HE1 HIS 16 0.674 -3.823 10.572 85 H GLU 17 H GLU 17 -1.470 -3.959 4.830 86 HA GLU 17 HA GLU 17 -3.849 -5.428 5.598 87 HB2 GLU 17 1HB GLU 17 -3.563 -2.606 4.550 88 HB3 GLU 17 2HB GLU 17 -5.021 -3.307 5.238 89 HG2 GLU 17 1HG GLU 17 -3.487 -3.727 7.310 90 HG3 GLU 17 2HG GLU 17 -2.512 -2.447 6.589 91 H CYS 18 H CYS 18 -2.631 -3.793 2.682 92 HA CYS 18 HA CYS 18 -4.531 -5.395 1.099 93 HB2 CYS 18 1HB CYS 18 -4.373 -3.603 -0.614 94 HB3 CYS 18 2HB CYS 18 -5.039 -3.034 0.913 95 H GLY 19 H GLY 19 -1.284 -3.945 1.073 96 HA2 GLY 19 1HA GLY 19 0.478 -5.683 0.528 97 HA3 GLY 19 2HA GLY 19 -0.490 -5.987 -0.907 98 H LYS 20 H LYS 20 -0.194 -2.747 0.272 99 HA LYS 20 HA LYS 20 1.006 -1.897 -2.191 100 HB2 LYS 20 1HB LYS 20 -0.702 -0.645 -0.675 101 HB3 LYS 20 2HB LYS 20 0.720 -0.144 0.229 102 HG2 LYS 20 1HG LYS 20 1.558 1.109 -1.537 103 HG3 LYS 20 2HG LYS 20 0.572 0.262 -2.732 104 HD2 LYS 20 1HD LYS 20 -1.397 1.286 -1.280 105 HD3 LYS 20 2HD LYS 20 -0.154 2.474 -0.882 106 HE2 LYS 20 1HE LYS 20 -0.589 1.719 -3.735 107 HE3 LYS 20 2HE LYS 20 -1.730 2.814 -2.954 108 HZ1 LYS 20 3HZ LYS 20 0.174 4.233 -2.353 109 HZ2 LYS 20 1HZ LYS 20 -0.020 4.078 -4.026 110 HZ3 LYS 20 2HZ LYS 20 1.199 3.214 -3.234 111 H ALA 21 H ALA 21 2.877 -0.265 -2.054 112 HA ALA 21 HA ALA 21 4.892 -1.110 -0.094 113 HB1 ALA 21 3HB ALA 21 4.979 -1.506 -3.005 114 HB2 ALA 21 1HB ALA 21 6.442 -0.822 -2.293 115 HB3 ALA 21 2HB ALA 21 5.817 -2.367 -1.714 116 H PHE 22 H PHE 22 6.397 0.445 0.463 117 HA PHE 22 HA PHE 22 6.247 3.046 -0.869 118 HB2 PHE 22 1HB PHE 22 6.085 2.789 2.136 119 HB3 PHE 22 2HB PHE 22 5.932 4.257 1.177 120 HD1 PHE 22 HD2 PHE 22 4.314 0.955 1.732 121 HD2 PHE 22 HD1 PHE 22 3.837 5.021 0.566 122 HE1 PHE 22 HE2 PHE 22 1.875 0.643 1.654 123 HE2 PHE 22 HE1 PHE 22 1.397 4.716 0.487 124 HZ PHE 22 HZ PHE 22 0.413 2.525 1.030 125 H SER 23 H SER 23 8.055 4.437 -0.420 126 HA SER 23 HA SER 23 10.511 2.989 -0.229 127 HB2 SER 23 1HB SER 23 10.085 5.986 -0.255 128 HB3 SER 23 2HB SER 23 11.590 5.137 -0.608 129 HG SER 23 HG SER 23 10.644 5.600 -2.552 130 H ARG 24 H ARG 24 8.968 5.479 1.793 131 HA ARG 24 HA ARG 24 10.815 4.764 3.967 132 HB2 ARG 24 1HB ARG 24 9.037 7.187 3.965 133 HB3 ARG 24 2HB ARG 24 10.525 6.914 4.862 134 HG2 ARG 24 1HG ARG 24 11.534 6.790 2.414 135 HG3 ARG 24 2HG ARG 24 10.127 7.795 2.063 136 HD2 ARG 24 1HD ARG 24 10.873 9.533 3.366 137 HD3 ARG 24 2HD ARG 24 11.831 8.480 4.407 138 HE ARG 24 HE ARG 24 13.075 8.322 1.996 139 HH11 ARG 24 1HH1 ARG 24 12.129 10.949 4.075 140 HH12 ARG 24 2HH1 ARG 24 13.429 11.982 3.578 141 HH21 ARG 24 1HH2 ARG 24 14.790 9.672 1.334 142 HH22 ARG 24 2HH2 ARG 24 14.941 11.255 2.018 143 H LYS 25 H LYS 25 9.961 4.616 6.134 144 HA LYS 25 HA LYS 25 7.779 2.916 6.381 145 HB2 LYS 25 1HB LYS 25 9.515 3.117 8.093 146 HB3 LYS 25 2HB LYS 25 8.977 4.749 8.467 147 HG2 LYS 25 1HG LYS 25 8.117 3.314 10.146 148 HG3 LYS 25 2HG LYS 25 6.764 3.781 9.114 149 HD2 LYS 25 1HD LYS 25 6.756 1.671 8.024 150 HD3 LYS 25 2HD LYS 25 8.306 1.221 8.740 151 HE2 LYS 25 1HE LYS 25 7.378 0.728 10.771 152 HE3 LYS 25 2HE LYS 25 6.057 1.877 10.569 153 HZ1 LYS 25 3HZ LYS 25 6.310 -0.840 9.435 154 HZ2 LYS 25 1HZ LYS 25 5.229 0.290 8.789 155 HZ3 LYS 25 2HZ LYS 25 5.069 -0.212 10.396 156 H TYR 26 H TYR 26 7.947 6.405 7.069 157 HA TYR 26 HA TYR 26 5.324 6.788 7.886 158 HB2 TYR 26 1HB TYR 26 5.776 9.027 7.783 159 HB3 TYR 26 2HB TYR 26 7.424 8.420 7.667 160 HD1 TYR 26 HD1 TYR 26 8.589 8.402 5.491 161 HD2 TYR 26 HD2 TYR 26 4.727 10.131 5.934 162 HE1 TYR 26 HE1 TYR 26 8.879 9.582 3.353 163 HE2 TYR 26 HE2 TYR 26 5.006 11.316 3.796 164 HH TYR 26 HH TYR 26 6.271 11.530 1.961 165 H GLN 27 H GLN 27 6.683 6.821 4.616 166 HA GLN 27 HA GLN 27 4.503 7.679 3.168 167 HB2 GLN 27 1HB GLN 27 6.596 5.618 2.483 168 HB3 GLN 27 2HB GLN 27 5.409 6.196 1.322 169 HG2 GLN 27 1HG GLN 27 6.330 8.548 2.073 170 HG3 GLN 27 2HG GLN 27 7.745 7.590 2.505 171 HE21 GLN 27 1HE2 GLN 27 8.623 9.084 0.807 172 HE22 GLN 27 2HE2 GLN 27 8.572 8.529 -0.829 173 H LEU 28 H LEU 28 4.980 4.649 4.789 174 HA LEU 28 HA LEU 28 2.767 3.354 3.438 175 HB2 LEU 28 1HB LEU 28 4.405 1.818 3.955 176 HB3 LEU 28 2HB LEU 28 4.758 2.564 5.512 177 HG LEU 28 HG LEU 28 2.767 1.595 6.475 178 HD11 LEU 28 1HD1 LEU 28 2.175 0.912 3.642 179 HD12 LEU 28 2HD1 LEU 28 1.104 1.506 4.911 180 HD13 LEU 28 3HD1 LEU 28 1.618 -0.181 4.909 181 HD21 LEU 28 3HD2 LEU 28 4.684 -0.181 5.038 182 HD22 LEU 28 1HD2 LEU 28 3.323 -0.898 5.902 183 HD23 LEU 28 2HD2 LEU 28 4.488 0.103 6.769 184 H ILE 29 H ILE 29 3.508 4.490 6.725 185 HA ILE 29 HA ILE 29 1.163 3.824 8.003 186 HB ILE 29 HB ILE 29 3.073 6.098 8.373 187 HG12 ILE 29 1HG1 ILE 29 2.989 4.827 10.721 188 HG13 ILE 29 2HG1 ILE 29 2.403 3.517 9.701 189 HG21 ILE 29 1HG2 ILE 29 0.334 5.893 9.466 190 HG22 ILE 29 2HG2 ILE 29 1.608 6.346 10.596 191 HG23 ILE 29 3HG2 ILE 29 1.328 7.315 9.150 192 HD11 ILE 29 3HD1 ILE 29 5.042 4.214 10.192 193 HD12 ILE 29 1HD1 ILE 29 4.448 3.077 8.983 194 HD13 ILE 29 2HD1 ILE 29 4.727 4.764 8.547 195 H SER 30 H SER 30 1.852 6.794 6.173 196 HA SER 30 HA SER 30 -0.536 8.130 6.571 197 HB2 SER 30 1HB SER 30 1.368 9.164 5.443 198 HB3 SER 30 2HB SER 30 1.175 8.071 4.072 199 HG SER 30 HG SER 30 0.184 10.330 4.061 200 H HIS 31 H HIS 31 0.217 5.533 4.322 201 HA HIS 31 HA HIS 31 -2.226 5.673 2.870 202 HB2 HIS 31 1HB HIS 31 -0.391 4.599 1.800 203 HB3 HIS 31 2HB HIS 31 -0.135 3.519 3.167 204 HD1 HIS 31 HD1 HIS 31 -2.586 4.127 0.353 205 HD2 HIS 31 HD2 HIS 31 -1.509 1.152 3.046 206 HE1 HIS 31 HE1 HIS 31 -3.853 2.077 -0.367 207 H GLN 32 H GLN 32 -1.085 3.558 5.491 208 HA GLN 32 HA GLN 32 -3.233 1.881 5.764 209 HB2 GLN 32 1HB GLN 32 -1.712 3.125 8.061 210 HB3 GLN 32 2HB GLN 32 -2.602 1.609 8.094 211 HG2 GLN 32 1HG GLN 32 -1.003 0.848 6.248 212 HG3 GLN 32 2HG GLN 32 -0.023 2.238 6.710 213 HE21 GLN 32 1HE2 GLN 32 -0.431 -0.971 7.171 214 HE22 GLN 32 2HE2 GLN 32 0.303 -1.145 8.725 215 H ARG 33 H ARG 33 -3.042 5.256 6.551 216 HA ARG 33 HA ARG 33 -5.055 5.609 8.382 217 HB2 ARG 33 1HB ARG 33 -4.547 7.370 5.978 218 HB3 ARG 33 2HB ARG 33 -5.348 7.848 7.468 219 HG2 ARG 33 1HG ARG 33 -2.549 6.803 7.530 220 HG3 ARG 33 2HG ARG 33 -2.874 8.483 7.095 221 HD2 ARG 33 1HD ARG 33 -4.236 8.607 9.241 222 HD3 ARG 33 2HD ARG 33 -3.493 7.067 9.674 223 HE ARG 33 HE ARG 33 -1.501 8.160 10.057 224 HH11 ARG 33 1HH1 ARG 33 -3.752 10.306 8.491 225 HH12 ARG 33 2HH1 ARG 33 -2.783 11.719 8.748 226 HH21 ARG 33 1HH2 ARG 33 -0.218 10.013 10.401 227 HH22 ARG 33 2HH2 ARG 33 -0.773 11.552 9.834 228 H THR 34 H THR 34 -5.352 5.124 4.897 229 HA THR 34 HA THR 34 -8.098 5.617 4.649 230 HB THR 34 HB THR 34 -8.014 4.490 2.549 231 HG1 THR 34 HG1 THR 34 -5.454 3.434 2.976 232 HG21 THR 34 3HG2 THR 34 -5.837 6.245 3.357 233 HG22 THR 34 1HG2 THR 34 -6.834 6.280 1.903 234 HG23 THR 34 2HG2 THR 34 -5.416 5.235 1.975 235 H HIS 35 H HIS 35 -6.331 2.710 5.563 236 HA HIS 35 HA HIS 35 -8.578 0.967 5.511 237 HB2 HIS 35 1HB HIS 35 -5.850 0.797 6.775 238 HB3 HIS 35 2HB HIS 35 -7.055 -0.465 7.009 239 HD1 HIS 35 HD1 HIS 35 -7.964 -1.551 4.665 240 HD2 HIS 35 HD2 HIS 35 -4.343 0.482 4.543 241 HE1 HIS 35 HE1 HIS 35 -6.831 -2.321 2.556 242 H ALA 36 H ALA 36 -7.014 2.874 8.042 243 HA ALA 36 HA ALA 36 -8.044 2.055 10.357 244 HB1 ALA 36 3HB ALA 36 -8.638 4.839 10.285 245 HB2 ALA 36 1HB ALA 36 -7.269 4.017 11.034 246 HB3 ALA 36 2HB ALA 36 -7.167 4.548 9.355 247 H GLY 37 H GLY 37 -9.955 2.208 11.553 248 HA2 GLY 37 1HA GLY 37 -12.331 1.612 10.348 249 HA3 GLY 37 2HA GLY 37 -12.222 2.375 11.927 250 H GLU 38 H GLU 38 -13.784 2.642 9.153 251 HA GLU 38 HA GLU 38 -14.001 5.561 9.390 252 HB2 GLU 38 1HB GLU 38 -13.379 3.958 6.965 253 HB3 GLU 38 2HB GLU 38 -14.487 5.309 6.770 254 HG2 GLU 38 1HG GLU 38 -11.780 5.572 8.045 255 HG3 GLU 38 2HG GLU 38 -12.068 5.800 6.321 256 H LYS 39 H LYS 39 -16.019 6.163 9.772 257 HA LYS 39 HA LYS 39 -18.206 4.397 8.884 258 HB2 LYS 39 1HB LYS 39 -17.822 5.922 11.440 259 HB3 LYS 39 2HB LYS 39 -19.442 5.533 10.877 260 HG2 LYS 39 1HG LYS 39 -19.011 3.759 12.256 261 HG3 LYS 39 2HG LYS 39 -18.486 3.110 10.701 262 HD2 LYS 39 1HD LYS 39 -16.758 2.551 12.180 263 HD3 LYS 39 2HD LYS 39 -16.162 3.979 11.330 264 HE2 LYS 39 1HE LYS 39 -15.672 4.588 13.472 265 HE3 LYS 39 2HE LYS 39 -17.314 5.219 13.364 266 HZ1 LYS 39 3HZ LYS 39 -17.507 2.566 14.166 267 HZ2 LYS 39 1HZ LYS 39 -17.839 3.950 15.081 268 HZ3 LYS 39 2HZ LYS 39 -16.293 3.265 15.114 269 HA PRO 40 HA PRO 40 -19.785 7.806 6.592 270 HB2 PRO 40 1HB PRO 40 -22.397 7.076 6.460 271 HB3 PRO 40 2HB PRO 40 -21.128 6.276 5.525 272 HG2 PRO 40 1HG PRO 40 -22.415 5.421 8.089 273 HG3 PRO 40 2HG PRO 40 -22.004 4.448 6.665 274 HD2 PRO 40 1HD PRO 40 -20.470 4.485 8.895 275 HD3 PRO 40 2HD PRO 40 -19.787 4.269 7.271 276 H SER 41 H SER 41 -20.379 7.315 9.822 277 HA SER 41 HA SER 41 -22.465 9.275 10.175 278 HB2 SER 41 1HB SER 41 -20.773 7.629 12.035 279 HB3 SER 41 2HB SER 41 -21.735 8.970 12.657 280 HG SER 41 HG SER 41 -23.449 7.783 12.461 281 H GLY 42 H GLY 42 -22.212 11.257 11.361 282 HA2 GLY 42 1HA GLY 42 -20.618 12.825 12.417 283 HA3 GLY 42 2HA GLY 42 -19.486 12.381 11.149 284 HA PRO 43 HA PRO 43 -22.602 15.884 9.939 285 HB2 PRO 43 1HB PRO 43 -21.543 18.081 11.131 286 HB3 PRO 43 2HB PRO 43 -22.805 17.097 11.880 287 HG2 PRO 43 1HG PRO 43 -19.850 17.072 12.359 288 HG3 PRO 43 2HG PRO 43 -21.175 16.993 13.535 289 HD2 PRO 43 1HD PRO 43 -19.807 14.799 12.733 290 HD3 PRO 43 2HD PRO 43 -21.524 14.743 13.180 291 H SER 44 H SER 44 -19.391 15.073 9.787 292 HA SER 44 HA SER 44 -18.191 17.229 8.461 293 HB2 SER 44 1HB SER 44 -17.663 14.268 8.479 294 HB3 SER 44 2HB SER 44 -16.724 15.344 7.446 295 HG SER 44 HG SER 44 -16.388 16.578 9.490 296 H SER 45 H SER 45 -19.627 14.279 7.059 297 HA SER 45 HA SER 45 -20.578 15.820 4.788 298 HB2 SER 45 1HB SER 45 -18.384 13.799 4.622 299 HB3 SER 45 2HB SER 45 -19.554 13.876 3.305 300 HG SER 45 HG SER 45 -18.515 16.298 4.167 301 H GLY 46 H GLY 46 -22.297 14.862 3.705 302 HA2 GLY 46 1HA GLY 46 -23.454 12.545 5.103 303 HA3 GLY 46 2HA GLY 46 -24.361 13.739 4.187 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -12.817 -14.283 -12.198 2 HA2 GLY 1 1HA GLY 1 -12.020 -15.395 -9.905 3 HA3 GLY 1 2HA GLY 1 -11.011 -16.258 -11.056 4 H SER 2 H SER 2 -10.329 -14.350 -8.886 5 HA SER 2 HA SER 2 -8.978 -12.295 -10.510 6 HB2 SER 2 1HB SER 2 -10.676 -11.633 -8.647 7 HB3 SER 2 2HB SER 2 -9.369 -12.052 -7.540 8 HG SER 2 HG SER 2 -8.542 -10.184 -7.978 9 H SER 3 H SER 3 -6.956 -12.916 -10.897 10 HA SER 3 HA SER 3 -5.300 -13.746 -8.626 11 HB2 SER 3 1HB SER 3 -5.664 -15.241 -11.212 12 HB3 SER 3 2HB SER 3 -4.172 -15.388 -10.283 13 HG SER 3 HG SER 3 -5.188 -16.706 -9.020 14 H GLY 4 H GLY 4 -3.275 -12.910 -8.628 15 HA2 GLY 4 1HA GLY 4 -1.753 -12.147 -10.823 16 HA3 GLY 4 2HA GLY 4 -2.700 -10.740 -10.364 17 H SER 5 H SER 5 0.257 -11.554 -10.215 18 HA SER 5 HA SER 5 0.675 -10.445 -7.545 19 HB2 SER 5 1HB SER 5 2.387 -12.107 -6.994 20 HB3 SER 5 2HB SER 5 0.834 -12.894 -7.275 21 HG SER 5 HG SER 5 2.548 -12.604 -9.454 22 H SER 6 H SER 6 2.296 -8.999 -7.466 23 HA SER 6 HA SER 6 4.440 -9.030 -9.408 24 HB2 SER 6 1HB SER 6 4.004 -6.869 -10.365 25 HB3 SER 6 2HB SER 6 2.535 -7.830 -10.542 26 HG SER 6 HG SER 6 1.834 -6.772 -8.543 27 H GLY 7 H GLY 7 6.086 -7.386 -8.951 28 HA2 GLY 7 1HA GLY 7 7.124 -5.805 -7.532 29 HA3 GLY 7 2HA GLY 7 5.897 -6.128 -6.315 30 H THR 8 H THR 8 8.990 -7.002 -7.563 31 HA THR 8 HA THR 8 9.373 -9.452 -6.236 32 HB THR 8 HB THR 8 10.876 -8.724 -8.014 33 HG1 THR 8 HG1 THR 8 12.035 -9.141 -5.453 34 HG21 THR 8 3HG2 THR 8 10.841 -6.295 -7.330 35 HG22 THR 8 1HG2 THR 8 12.424 -6.930 -7.776 36 HG23 THR 8 2HG2 THR 8 12.008 -6.711 -6.076 37 H GLY 9 H GLY 9 10.104 -6.115 -5.259 38 HA2 GLY 9 1HA GLY 9 9.520 -5.923 -2.741 39 HA3 GLY 9 2HA GLY 9 10.818 -7.096 -2.581 40 H GLU 10 H GLU 10 10.289 -4.020 -4.313 41 HA GLU 10 HA GLU 10 13.053 -3.274 -3.861 42 HB2 GLU 10 1HB GLU 10 12.477 -1.266 -5.191 43 HB3 GLU 10 2HB GLU 10 12.095 -2.767 -6.023 44 HG2 GLU 10 1HG GLU 10 9.775 -2.513 -5.597 45 HG3 GLU 10 2HG GLU 10 10.063 -1.172 -4.490 46 H ASN 11 H ASN 11 9.945 -2.658 -2.487 47 HA ASN 11 HA ASN 11 11.041 -0.461 -0.870 48 HB2 ASN 11 1HB ASN 11 8.317 -1.139 -1.845 49 HB3 ASN 11 2HB ASN 11 8.431 -0.394 -0.253 50 HD21 ASN 11 1HD2 ASN 11 7.131 0.895 -2.248 51 HD22 ASN 11 2HD2 ASN 11 8.041 2.271 -2.761 52 HA PRO 12 HA PRO 12 11.286 -3.422 2.446 53 HB2 PRO 12 1HB PRO 12 12.141 -1.663 4.329 54 HB3 PRO 12 2HB PRO 12 13.201 -2.321 3.077 55 HG2 PRO 12 1HG PRO 12 11.805 0.325 3.176 56 HG3 PRO 12 2HG PRO 12 13.465 -0.046 2.676 57 HD2 PRO 12 1HD PRO 12 11.466 0.369 0.898 58 HD3 PRO 12 2HD PRO 12 12.811 -0.746 0.579 59 H TYR 13 H TYR 13 9.200 -0.759 2.143 60 HA TYR 13 HA TYR 13 7.740 -1.547 4.579 61 HB2 TYR 13 1HB TYR 13 7.575 1.116 3.159 62 HB3 TYR 13 2HB TYR 13 6.851 0.692 4.706 63 HD1 TYR 13 HD1 TYR 13 8.250 0.458 6.711 64 HD2 TYR 13 HD2 TYR 13 9.905 1.692 2.990 65 HE1 TYR 13 HE1 TYR 13 10.263 1.256 7.878 66 HE2 TYR 13 HE2 TYR 13 11.923 2.492 4.147 67 HH TYR 13 HH TYR 13 13.099 1.848 6.456 68 H GLU 14 H GLU 14 6.081 -2.812 4.078 69 HA GLU 14 HA GLU 14 4.421 -2.081 1.758 70 HB2 GLU 14 1HB GLU 14 5.565 -4.723 2.523 71 HB3 GLU 14 2HB GLU 14 3.950 -4.700 1.830 72 HG2 GLU 14 1HG GLU 14 4.682 -4.037 -0.220 73 HG3 GLU 14 2HG GLU 14 6.079 -3.181 0.432 74 H CYS 15 H CYS 15 2.228 -2.182 2.026 75 HA CYS 15 HA CYS 15 1.251 -2.110 4.713 76 HB2 CYS 15 1HB CYS 15 0.387 -0.722 2.774 77 HB3 CYS 15 2HB CYS 15 -0.404 -2.181 2.188 78 H HIS 16 H HIS 16 0.661 -3.789 5.900 79 HA HIS 16 HA HIS 16 0.408 -6.412 4.759 80 HB2 HIS 16 1HB HIS 16 -0.001 -7.133 7.086 81 HB3 HIS 16 2HB HIS 16 1.443 -6.134 6.947 82 HD1 HIS 16 HD1 HIS 16 1.607 -4.736 8.971 83 HD2 HIS 16 HD2 HIS 16 -2.318 -5.075 7.651 84 HE1 HIS 16 HE1 HIS 16 0.248 -3.299 10.525 85 H GLU 17 H GLU 17 -1.679 -3.867 4.936 86 HA GLU 17 HA GLU 17 -4.079 -5.370 5.550 87 HB2 GLU 17 1HB GLU 17 -3.828 -2.548 4.497 88 HB3 GLU 17 2HB GLU 17 -5.257 -3.280 5.214 89 HG2 GLU 17 1HG GLU 17 -3.721 -3.613 7.283 90 HG3 GLU 17 2HG GLU 17 -2.746 -2.354 6.527 91 H CYS 18 H CYS 18 -2.799 -3.618 2.723 92 HA CYS 18 HA CYS 18 -4.577 -5.236 1.023 93 HB2 CYS 18 1HB CYS 18 -4.347 -3.444 -0.657 94 HB3 CYS 18 2HB CYS 18 -5.021 -2.844 0.855 95 H GLY 19 H GLY 19 -1.315 -3.833 1.202 96 HA2 GLY 19 1HA GLY 19 0.465 -5.562 0.745 97 HA3 GLY 19 2HA GLY 19 -0.433 -5.887 -0.730 98 H LYS 20 H LYS 20 -0.403 -2.614 0.207 99 HA LYS 20 HA LYS 20 0.922 -1.782 -2.139 100 HB2 LYS 20 1HB LYS 20 -0.750 -0.449 -0.799 101 HB3 LYS 20 2HB LYS 20 0.529 -0.147 0.370 102 HG2 LYS 20 1HG LYS 20 1.687 1.242 -1.049 103 HG3 LYS 20 2HG LYS 20 0.982 0.524 -2.499 104 HD2 LYS 20 1HD LYS 20 -0.831 1.919 -0.597 105 HD3 LYS 20 2HD LYS 20 0.227 2.902 -1.613 106 HE2 LYS 20 1HE LYS 20 -1.787 2.680 -2.817 107 HE3 LYS 20 2HE LYS 20 -0.653 1.565 -3.578 108 HZ1 LYS 20 3HZ LYS 20 -2.563 0.694 -1.491 109 HZ2 LYS 20 1HZ LYS 20 -1.689 -0.267 -2.576 110 HZ3 LYS 20 2HZ LYS 20 -2.963 0.696 -3.134 111 H ALA 21 H ALA 21 2.826 -0.189 -2.011 112 HA ALA 21 HA ALA 21 4.839 -1.071 -0.068 113 HB1 ALA 21 3HB ALA 21 6.386 -0.849 -2.267 114 HB2 ALA 21 1HB ALA 21 5.706 -2.370 -1.690 115 HB3 ALA 21 2HB ALA 21 4.902 -1.478 -2.982 116 H PHE 22 H PHE 22 6.407 0.449 0.441 117 HA PHE 22 HA PHE 22 6.319 3.035 -0.915 118 HB2 PHE 22 1HB PHE 22 6.153 2.880 2.093 119 HB3 PHE 22 2HB PHE 22 5.958 4.298 1.068 120 HD1 PHE 22 HD2 PHE 22 4.424 0.939 1.596 121 HD2 PHE 22 HD1 PHE 22 3.830 5.047 0.655 122 HE1 PHE 22 HE2 PHE 22 1.991 0.577 1.567 123 HE2 PHE 22 HE1 PHE 22 1.396 4.692 0.625 124 HZ PHE 22 HZ PHE 22 0.473 2.454 1.080 125 H SER 23 H SER 23 8.146 4.411 -0.402 126 HA SER 23 HA SER 23 10.565 2.892 -0.162 127 HB2 SER 23 1HB SER 23 9.857 5.722 -0.757 128 HB3 SER 23 2HB SER 23 11.481 5.406 -0.147 129 HG SER 23 HG SER 23 10.561 3.744 -2.174 130 H ARG 24 H ARG 24 9.014 5.434 1.781 131 HA ARG 24 HA ARG 24 10.849 4.797 3.986 132 HB2 ARG 24 1HB ARG 24 8.981 7.148 3.956 133 HB3 ARG 24 2HB ARG 24 10.487 6.946 4.841 134 HG2 ARG 24 1HG ARG 24 11.463 6.825 2.371 135 HG3 ARG 24 2HG ARG 24 10.024 7.793 2.045 136 HD2 ARG 24 1HD ARG 24 10.768 9.565 3.277 137 HD3 ARG 24 2HD ARG 24 11.703 8.549 4.373 138 HE ARG 24 HE ARG 24 13.509 8.736 2.967 139 HH11 ARG 24 1HH1 ARG 24 10.649 9.896 1.355 140 HH12 ARG 24 2HH1 ARG 24 11.517 10.559 0.011 141 HH21 ARG 24 1HH2 ARG 24 14.663 9.605 1.202 142 HH22 ARG 24 2HH2 ARG 24 13.801 10.393 -0.076 143 H LYS 25 H LYS 25 9.922 4.817 6.186 144 HA LYS 25 HA LYS 25 7.802 2.990 6.422 145 HB2 LYS 25 1HB LYS 25 9.439 3.114 8.164 146 HB3 LYS 25 2HB LYS 25 9.106 4.819 8.438 147 HG2 LYS 25 1HG LYS 25 7.982 3.889 10.190 148 HG3 LYS 25 2HG LYS 25 6.696 3.938 8.982 149 HD2 LYS 25 1HD LYS 25 8.414 1.516 9.081 150 HD3 LYS 25 2HD LYS 25 7.239 1.745 10.378 151 HE2 LYS 25 1HE LYS 25 5.427 1.682 8.905 152 HE3 LYS 25 2HE LYS 25 6.441 2.004 7.499 153 HZ1 LYS 25 3HZ LYS 25 6.344 -0.188 7.187 154 HZ2 LYS 25 1HZ LYS 25 5.795 -0.498 8.757 155 HZ3 LYS 25 2HZ LYS 25 7.450 -0.313 8.461 156 H TYR 26 H TYR 26 7.912 6.486 7.085 157 HA TYR 26 HA TYR 26 5.274 6.817 7.896 158 HB2 TYR 26 1HB TYR 26 5.692 9.063 7.817 159 HB3 TYR 26 2HB TYR 26 7.351 8.485 7.704 160 HD1 TYR 26 HD1 TYR 26 8.499 8.453 5.500 161 HD2 TYR 26 HD2 TYR 26 4.661 10.218 6.005 162 HE1 TYR 26 HE1 TYR 26 8.779 9.656 3.374 163 HE2 TYR 26 HE2 TYR 26 4.930 11.426 3.880 164 HH TYR 26 HH TYR 26 7.890 11.704 2.287 165 H GLN 27 H GLN 27 6.663 6.876 4.641 166 HA GLN 27 HA GLN 27 4.494 7.720 3.170 167 HB2 GLN 27 1HB GLN 27 6.624 5.687 2.522 168 HB3 GLN 27 2HB GLN 27 5.427 6.208 1.343 169 HG2 GLN 27 1HG GLN 27 6.264 8.597 2.003 170 HG3 GLN 27 2HG GLN 27 7.695 7.717 2.539 171 HE21 GLN 27 1HE2 GLN 27 8.539 9.205 0.787 172 HE22 GLN 27 2HE2 GLN 27 8.597 8.554 -0.812 173 H LEU 28 H LEU 28 4.988 4.672 4.767 174 HA LEU 28 HA LEU 28 2.778 3.383 3.407 175 HB2 LEU 28 1HB LEU 28 4.439 1.860 3.915 176 HB3 LEU 28 2HB LEU 28 4.758 2.581 5.491 177 HG LEU 28 HG LEU 28 2.850 1.534 6.449 178 HD11 LEU 28 1HD1 LEU 28 1.683 -0.118 4.620 179 HD12 LEU 28 2HD1 LEU 28 1.996 1.327 3.660 180 HD13 LEU 28 3HD1 LEU 28 1.040 1.441 5.137 181 HD21 LEU 28 3HD2 LEU 28 4.039 -0.325 6.663 182 HD22 LEU 28 1HD2 LEU 28 4.929 0.059 5.189 183 HD23 LEU 28 2HD2 LEU 28 3.442 -0.886 5.100 184 H ILE 29 H ILE 29 3.503 4.589 6.666 185 HA ILE 29 HA ILE 29 1.178 3.870 7.968 186 HB ILE 29 HB ILE 29 3.018 6.212 8.305 187 HG12 ILE 29 1HG1 ILE 29 3.291 5.030 10.562 188 HG13 ILE 29 2HG1 ILE 29 2.373 3.706 9.853 189 HG21 ILE 29 1HG2 ILE 29 0.531 5.678 9.923 190 HG22 ILE 29 2HG2 ILE 29 1.789 6.841 10.339 191 HG23 ILE 29 3HG2 ILE 29 0.824 7.070 8.880 192 HD11 ILE 29 3HD1 ILE 29 4.836 3.413 9.778 193 HD12 ILE 29 1HD1 ILE 29 4.051 3.339 8.201 194 HD13 ILE 29 2HD1 ILE 29 4.919 4.796 8.686 195 H SER 30 H SER 30 1.806 6.864 6.149 196 HA SER 30 HA SER 30 -0.617 8.134 6.529 197 HB2 SER 30 1HB SER 30 1.527 8.900 5.252 198 HB3 SER 30 2HB SER 30 0.723 8.212 3.841 199 HG SER 30 HG SER 30 0.084 10.309 3.919 200 H HIS 31 H HIS 31 0.178 5.470 4.409 201 HA HIS 31 HA HIS 31 -2.249 5.579 2.895 202 HB2 HIS 31 1HB HIS 31 -0.364 4.543 1.856 203 HB3 HIS 31 2HB HIS 31 -0.127 3.456 3.222 204 HD1 HIS 31 HD1 HIS 31 -2.577 4.078 0.402 205 HD2 HIS 31 HD2 HIS 31 -1.428 1.064 3.020 206 HE1 HIS 31 HE1 HIS 31 -3.800 2.019 -0.365 207 H GLN 32 H GLN 32 -1.069 3.512 5.539 208 HA GLN 32 HA GLN 32 -3.207 1.805 5.807 209 HB2 GLN 32 1HB GLN 32 -1.627 3.028 8.075 210 HB3 GLN 32 2HB GLN 32 -2.550 1.532 8.141 211 HG2 GLN 32 1HG GLN 32 -1.007 0.755 6.231 212 HG3 GLN 32 2HG GLN 32 0.024 2.096 6.729 213 HE21 GLN 32 1HE2 GLN 32 -0.388 -1.096 7.051 214 HE22 GLN 32 2HE2 GLN 32 0.302 -1.346 8.614 215 H ARG 33 H ARG 33 -3.005 5.171 6.638 216 HA ARG 33 HA ARG 33 -5.044 5.445 8.487 217 HB2 ARG 33 1HB ARG 33 -4.488 7.367 6.223 218 HB3 ARG 33 2HB ARG 33 -5.221 7.743 7.777 219 HG2 ARG 33 1HG ARG 33 -2.393 6.786 7.387 220 HG3 ARG 33 2HG ARG 33 -2.878 8.466 7.625 221 HD2 ARG 33 1HD ARG 33 -3.731 6.406 9.606 222 HD3 ARG 33 2HD ARG 33 -2.072 6.999 9.645 223 HE ARG 33 HE ARG 33 -2.842 9.062 10.357 224 HH11 ARG 33 1HH1 ARG 33 -5.505 6.987 9.509 225 HH12 ARG 33 2HH1 ARG 33 -6.703 8.009 10.232 226 HH21 ARG 33 1HH2 ARG 33 -4.409 10.417 11.313 227 HH22 ARG 33 2HH2 ARG 33 -6.078 9.960 11.257 228 H THR 34 H THR 34 -5.235 5.098 4.989 229 HA THR 34 HA THR 34 -7.952 5.720 4.662 230 HB THR 34 HB THR 34 -7.832 4.665 2.523 231 HG1 THR 34 HG1 THR 34 -6.922 2.695 2.924 232 HG21 THR 34 3HG2 THR 34 -5.327 5.390 1.894 233 HG22 THR 34 1HG2 THR 34 -5.472 6.188 3.459 234 HG23 THR 34 2HG2 THR 34 -6.621 6.556 2.172 235 H HIS 35 H HIS 35 -6.327 2.751 5.598 236 HA HIS 35 HA HIS 35 -8.616 1.071 5.362 237 HB2 HIS 35 1HB HIS 35 -5.949 0.788 6.723 238 HB3 HIS 35 2HB HIS 35 -7.201 -0.435 6.914 239 HD1 HIS 35 HD1 HIS 35 -8.112 -1.409 4.495 240 HD2 HIS 35 HD2 HIS 35 -4.360 0.374 4.574 241 HE1 HIS 35 HE1 HIS 35 -6.939 -2.218 2.423 242 H ALA 36 H ALA 36 -7.173 2.930 7.984 243 HA ALA 36 HA ALA 36 -8.599 1.937 10.144 244 HB1 ALA 36 3HB ALA 36 -7.351 3.459 11.165 245 HB2 ALA 36 1HB ALA 36 -6.942 4.185 9.611 246 HB3 ALA 36 2HB ALA 36 -8.365 4.737 10.495 247 H GLY 37 H GLY 37 -10.696 1.871 10.599 248 HA2 GLY 37 1HA GLY 37 -12.619 3.578 10.874 249 HA3 GLY 37 2HA GLY 37 -12.504 3.661 9.123 250 H GLU 38 H GLU 38 -12.512 1.363 8.080 251 HA GLU 38 HA GLU 38 -14.991 0.141 8.910 252 HB2 GLU 38 1HB GLU 38 -13.164 -0.123 6.559 253 HB3 GLU 38 2HB GLU 38 -14.312 -1.413 6.889 254 HG2 GLU 38 1HG GLU 38 -16.002 0.610 7.028 255 HG3 GLU 38 2HG GLU 38 -14.791 1.374 6.000 256 H LYS 39 H LYS 39 -14.223 -0.650 10.979 257 HA LYS 39 HA LYS 39 -12.188 -2.286 11.614 258 HB2 LYS 39 1HB LYS 39 -15.053 -2.283 12.454 259 HB3 LYS 39 2HB LYS 39 -14.023 -3.600 13.000 260 HG2 LYS 39 1HG LYS 39 -12.551 -2.084 14.110 261 HG3 LYS 39 2HG LYS 39 -13.374 -0.690 13.405 262 HD2 LYS 39 1HD LYS 39 -14.328 -0.731 15.493 263 HD3 LYS 39 2HD LYS 39 -15.472 -1.734 14.597 264 HE2 LYS 39 1HE LYS 39 -14.740 -3.681 15.581 265 HE3 LYS 39 2HE LYS 39 -13.137 -3.031 15.921 266 HZ1 LYS 39 3HZ LYS 39 -14.981 -3.341 17.784 267 HZ2 LYS 39 1HZ LYS 39 -15.377 -1.771 17.292 268 HZ3 LYS 39 2HZ LYS 39 -13.819 -2.114 17.853 269 HA PRO 40 HA PRO 40 -12.341 -5.878 9.073 270 HB2 PRO 40 1HB PRO 40 -10.925 -7.578 10.647 271 HB3 PRO 40 2HB PRO 40 -10.175 -6.259 9.741 272 HG2 PRO 40 1HG PRO 40 -10.948 -6.372 12.631 273 HG3 PRO 40 2HG PRO 40 -9.472 -5.724 11.892 274 HD2 PRO 40 1HD PRO 40 -11.517 -4.140 12.693 275 HD3 PRO 40 2HD PRO 40 -10.488 -3.741 11.303 276 H SER 41 H SER 41 -14.131 -7.047 8.807 277 HA SER 41 HA SER 41 -15.988 -7.729 10.732 278 HB2 SER 41 1HB SER 41 -15.372 -8.739 7.992 279 HB3 SER 41 2HB SER 41 -16.494 -9.671 8.984 280 HG SER 41 HG SER 41 -17.923 -8.259 8.396 281 H GLY 42 H GLY 42 -16.213 -9.311 12.205 282 HA2 GLY 42 1HA GLY 42 -15.844 -11.677 12.776 283 HA3 GLY 42 2HA GLY 42 -14.200 -11.475 12.188 284 HA PRO 43 HA PRO 43 -14.858 -10.209 16.811 285 HB2 PRO 43 1HB PRO 43 -14.820 -12.600 18.096 286 HB3 PRO 43 2HB PRO 43 -16.315 -11.811 17.579 287 HG2 PRO 43 1HG PRO 43 -14.786 -14.021 16.260 288 HG3 PRO 43 2HG PRO 43 -16.536 -13.853 16.488 289 HD2 PRO 43 1HD PRO 43 -15.311 -13.285 14.141 290 HD3 PRO 43 2HD PRO 43 -16.758 -12.420 14.697 291 H SER 44 H SER 44 -12.863 -9.461 17.190 292 HA SER 44 HA SER 44 -10.611 -11.357 17.098 293 HB2 SER 44 1HB SER 44 -10.174 -9.662 15.510 294 HB3 SER 44 2HB SER 44 -10.754 -8.390 16.585 295 HG SER 44 HG SER 44 -8.559 -8.302 16.676 296 H SER 45 H SER 45 -11.814 -8.501 18.849 297 HA SER 45 HA SER 45 -10.595 -9.598 21.292 298 HB2 SER 45 1HB SER 45 -10.590 -6.683 20.468 299 HB3 SER 45 2HB SER 45 -9.983 -7.320 21.996 300 HG SER 45 HG SER 45 -8.202 -7.260 20.788 301 H GLY 46 H GLY 46 -13.236 -10.020 20.553 302 HA2 GLY 46 1HA GLY 46 -15.391 -9.811 21.320 303 HA3 GLY 46 2HA GLY 46 -14.645 -9.313 22.832 Start of MODEL 16 1 H1 GLY 1 H GLY 1 16.724 -26.991 -8.661 2 HA2 GLY 1 1HA GLY 1 15.756 -27.483 -6.073 3 HA3 GLY 1 2HA GLY 1 17.006 -26.253 -5.963 4 H SER 2 H SER 2 13.897 -26.416 -5.781 5 HA SER 2 HA SER 2 13.438 -23.986 -7.383 6 HB2 SER 2 1HB SER 2 11.091 -24.721 -7.686 7 HB3 SER 2 2HB SER 2 12.238 -25.848 -8.411 8 HG SER 2 HG SER 2 11.006 -26.142 -5.868 9 H SER 3 H SER 3 13.524 -22.422 -5.880 10 HA SER 3 HA SER 3 12.090 -22.811 -3.349 11 HB2 SER 3 1HB SER 3 14.549 -22.037 -3.456 12 HB3 SER 3 2HB SER 3 13.897 -20.485 -3.982 13 HG SER 3 HG SER 3 14.247 -20.967 -1.597 14 H GLY 4 H GLY 4 12.616 -20.212 -5.744 15 HA2 GLY 4 1HA GLY 4 10.529 -19.330 -6.792 16 HA3 GLY 4 2HA GLY 4 9.866 -19.295 -5.165 17 H SER 5 H SER 5 12.572 -18.012 -7.083 18 HA SER 5 HA SER 5 12.578 -15.630 -5.364 19 HB2 SER 5 1HB SER 5 14.738 -16.801 -5.629 20 HB3 SER 5 2HB SER 5 14.649 -16.551 -7.373 21 HG SER 5 HG SER 5 15.366 -14.808 -5.383 22 H SER 6 H SER 6 10.798 -14.572 -6.265 23 HA SER 6 HA SER 6 11.347 -13.321 -8.856 24 HB2 SER 6 1HB SER 6 8.661 -14.501 -8.106 25 HB3 SER 6 2HB SER 6 9.035 -13.629 -9.593 26 HG SER 6 HG SER 6 9.118 -15.893 -9.892 27 H GLY 7 H GLY 7 10.452 -11.253 -9.125 28 HA2 GLY 7 1HA GLY 7 9.426 -9.273 -8.485 29 HA3 GLY 7 2HA GLY 7 8.804 -10.093 -7.060 30 H THR 8 H THR 8 10.922 -7.774 -8.145 31 HA THR 8 HA THR 8 12.943 -8.095 -6.110 32 HB THR 8 HB THR 8 13.871 -5.998 -6.941 33 HG1 THR 8 HG1 THR 8 11.648 -5.895 -8.720 34 HG21 THR 8 3HG2 THR 8 13.215 -7.143 -9.543 35 HG22 THR 8 1HG2 THR 8 13.690 -8.356 -8.354 36 HG23 THR 8 2HG2 THR 8 14.772 -7.014 -8.725 37 H GLY 9 H GLY 9 10.607 -5.484 -6.828 38 HA2 GLY 9 1HA GLY 9 9.874 -3.786 -5.412 39 HA3 GLY 9 2HA GLY 9 9.271 -5.186 -4.537 40 H GLU 10 H GLU 10 11.861 -2.832 -4.759 41 HA GLU 10 HA GLU 10 13.341 -3.765 -2.524 42 HB2 GLU 10 1HB GLU 10 14.000 -2.101 -4.437 43 HB3 GLU 10 2HB GLU 10 13.333 -0.887 -3.354 44 HG2 GLU 10 1HG GLU 10 14.893 -1.926 -1.587 45 HG3 GLU 10 2HG GLU 10 15.718 -2.646 -2.969 46 H ASN 11 H ASN 11 10.660 -1.533 -2.908 47 HA ASN 11 HA ASN 11 10.546 -0.054 -0.689 48 HB2 ASN 11 1HB ASN 11 8.322 -1.713 -1.882 49 HB3 ASN 11 2HB ASN 11 8.048 -0.527 -0.609 50 HD21 ASN 11 1HD2 ASN 11 8.815 -1.032 -3.941 51 HD22 ASN 11 2HD2 ASN 11 8.648 0.612 -4.446 52 HA PRO 12 HA PRO 12 11.204 -3.303 2.411 53 HB2 PRO 12 1HB PRO 12 12.106 -1.589 4.313 54 HB3 PRO 12 2HB PRO 12 13.135 -2.218 3.021 55 HG2 PRO 12 1HG PRO 12 11.744 0.425 3.217 56 HG3 PRO 12 2HG PRO 12 13.391 0.066 2.668 57 HD2 PRO 12 1HD PRO 12 11.349 0.524 0.949 58 HD3 PRO 12 2HD PRO 12 12.685 -0.583 0.572 59 H TYR 13 H TYR 13 9.031 -0.760 2.132 60 HA TYR 13 HA TYR 13 7.644 -1.584 4.599 61 HB2 TYR 13 1HB TYR 13 7.519 1.147 3.307 62 HB3 TYR 13 2HB TYR 13 6.753 0.661 4.815 63 HD1 TYR 13 HD1 TYR 13 8.132 0.241 6.825 64 HD2 TYR 13 HD2 TYR 13 9.832 1.751 3.229 65 HE1 TYR 13 HE1 TYR 13 10.132 0.943 8.073 66 HE2 TYR 13 HE2 TYR 13 11.837 2.456 4.467 67 HH TYR 13 HH TYR 13 12.157 1.841 7.951 68 H GLU 14 H GLU 14 6.064 -2.908 3.959 69 HA GLU 14 HA GLU 14 4.360 -2.035 1.718 70 HB2 GLU 14 1HB GLU 14 5.503 -4.696 2.382 71 HB3 GLU 14 2HB GLU 14 3.861 -4.666 1.754 72 HG2 GLU 14 1HG GLU 14 4.507 -3.961 -0.308 73 HG3 GLU 14 2HG GLU 14 5.919 -3.102 0.304 74 H CYS 15 H CYS 15 2.166 -2.111 1.987 75 HA CYS 15 HA CYS 15 1.176 -2.042 4.653 76 HB2 CYS 15 1HB CYS 15 0.259 -0.697 2.751 77 HB3 CYS 15 2HB CYS 15 -0.418 -2.181 2.087 78 H HIS 16 H HIS 16 0.458 -3.646 5.884 79 HA HIS 16 HA HIS 16 0.259 -6.318 4.775 80 HB2 HIS 16 1HB HIS 16 -0.017 -7.018 7.135 81 HB3 HIS 16 2HB HIS 16 1.430 -6.045 6.888 82 HD1 HIS 16 HD1 HIS 16 1.763 -4.522 8.792 83 HD2 HIS 16 HD2 HIS 16 -2.268 -5.023 7.918 84 HE1 HIS 16 HE1 HIS 16 0.533 -3.073 10.438 85 H GLU 17 H GLU 17 -1.759 -4.183 4.189 86 HA GLU 17 HA GLU 17 -4.143 -5.616 5.163 87 HB2 GLU 17 1HB GLU 17 -3.969 -2.700 4.386 88 HB3 GLU 17 2HB GLU 17 -5.384 -3.530 5.019 89 HG2 GLU 17 1HG GLU 17 -3.993 -4.006 7.087 90 HG3 GLU 17 2HG GLU 17 -2.841 -2.836 6.448 91 H CYS 18 H CYS 18 -2.885 -3.652 2.476 92 HA CYS 18 HA CYS 18 -4.727 -5.076 0.674 93 HB2 CYS 18 1HB CYS 18 -4.481 -3.183 -0.858 94 HB3 CYS 18 2HB CYS 18 -5.038 -2.638 0.720 95 H GLY 19 H GLY 19 -1.400 -3.883 0.990 96 HA2 GLY 19 1HA GLY 19 0.325 -5.578 0.386 97 HA3 GLY 19 2HA GLY 19 -0.613 -5.845 -1.076 98 H LYS 20 H LYS 20 -0.318 -2.619 0.118 99 HA LYS 20 HA LYS 20 0.972 -1.769 -2.293 100 HB2 LYS 20 1HB LYS 20 -0.729 -0.534 -0.657 101 HB3 LYS 20 2HB LYS 20 0.769 0.044 0.062 102 HG2 LYS 20 1HG LYS 20 1.457 0.999 -2.048 103 HG3 LYS 20 2HG LYS 20 0.024 0.341 -2.841 104 HD2 LYS 20 1HD LYS 20 -1.193 1.695 -0.904 105 HD3 LYS 20 2HD LYS 20 0.289 2.651 -0.993 106 HE2 LYS 20 1HE LYS 20 -0.176 2.617 -3.557 107 HE3 LYS 20 2HE LYS 20 -1.822 2.219 -3.067 108 HZ1 LYS 20 3HZ LYS 20 -0.723 4.726 -3.221 109 HZ2 LYS 20 1HZ LYS 20 -0.785 4.402 -1.562 110 HZ3 LYS 20 2HZ LYS 20 -2.194 4.316 -2.494 111 H ALA 21 H ALA 21 2.884 -0.221 -2.139 112 HA ALA 21 HA ALA 21 4.826 -1.088 -0.115 113 HB1 ALA 21 3HB ALA 21 4.974 -1.517 -3.019 114 HB2 ALA 21 1HB ALA 21 6.435 -0.861 -2.280 115 HB3 ALA 21 2HB ALA 21 5.759 -2.383 -1.698 116 H PHE 22 H PHE 22 6.356 0.436 0.462 117 HA PHE 22 HA PHE 22 6.279 3.033 -0.889 118 HB2 PHE 22 1HB PHE 22 6.108 2.779 2.116 119 HB3 PHE 22 2HB PHE 22 5.999 4.253 1.160 120 HD1 PHE 22 HD2 PHE 22 4.288 0.992 1.686 121 HD2 PHE 22 HD1 PHE 22 3.928 5.081 0.561 122 HE1 PHE 22 HE2 PHE 22 1.842 0.749 1.601 123 HE2 PHE 22 HE1 PHE 22 1.480 4.845 0.475 124 HZ PHE 22 HZ PHE 22 0.434 2.677 0.994 125 H SER 23 H SER 23 8.097 4.430 -0.314 126 HA SER 23 HA SER 23 10.533 2.922 -0.180 127 HB2 SER 23 1HB SER 23 10.113 5.921 -0.195 128 HB3 SER 23 2HB SER 23 11.645 5.091 -0.470 129 HG SER 23 HG SER 23 9.485 4.360 -2.070 130 H ARG 24 H ARG 24 9.036 5.413 1.876 131 HA ARG 24 HA ARG 24 10.873 4.648 4.038 132 HB2 ARG 24 1HB ARG 24 9.078 7.057 4.095 133 HB3 ARG 24 2HB ARG 24 10.575 6.777 4.975 134 HG2 ARG 24 1HG ARG 24 11.563 6.711 2.513 135 HG3 ARG 24 2HG ARG 24 10.149 7.719 2.201 136 HD2 ARG 24 1HD ARG 24 10.916 9.438 3.499 137 HD3 ARG 24 2HD ARG 24 11.836 8.369 4.559 138 HE ARG 24 HE ARG 24 13.644 8.595 3.167 139 HH11 ARG 24 1HH1 ARG 24 10.792 9.771 1.553 140 HH12 ARG 24 2HH1 ARG 24 11.667 10.443 0.217 141 HH21 ARG 24 1HH2 ARG 24 14.807 9.475 1.414 142 HH22 ARG 24 2HH2 ARG 24 13.950 10.273 0.138 143 H LYS 25 H LYS 25 9.902 4.785 6.274 144 HA LYS 25 HA LYS 25 7.765 2.949 6.479 145 HB2 LYS 25 1HB LYS 25 9.441 3.069 8.214 146 HB3 LYS 25 2HB LYS 25 9.043 4.751 8.541 147 HG2 LYS 25 1HG LYS 25 7.944 3.718 10.253 148 HG3 LYS 25 2HG LYS 25 6.665 3.765 9.037 149 HD2 LYS 25 1HD LYS 25 7.659 1.434 8.356 150 HD3 LYS 25 2HD LYS 25 8.288 1.455 10.005 151 HE2 LYS 25 1HE LYS 25 5.920 1.984 10.746 152 HE3 LYS 25 2HE LYS 25 5.420 1.580 9.104 153 HZ1 LYS 25 3HZ LYS 25 6.795 -0.224 11.021 154 HZ2 LYS 25 1HZ LYS 25 6.437 -0.620 9.416 155 HZ3 LYS 25 2HZ LYS 25 5.185 -0.331 10.515 156 H TYR 26 H TYR 26 7.946 6.450 7.053 157 HA TYR 26 HA TYR 26 5.308 6.824 7.900 158 HB2 TYR 26 1HB TYR 26 5.768 9.064 7.828 159 HB3 TYR 26 2HB TYR 26 7.415 8.451 7.735 160 HD1 TYR 26 HD1 TYR 26 8.599 8.415 5.556 161 HD2 TYR 26 HD2 TYR 26 4.775 10.228 5.996 162 HE1 TYR 26 HE1 TYR 26 8.931 9.617 3.435 163 HE2 TYR 26 HE2 TYR 26 5.096 11.434 3.876 164 HH TYR 26 HH TYR 26 6.369 11.384 1.904 165 H GLN 27 H GLN 27 6.716 6.802 4.660 166 HA GLN 27 HA GLN 27 4.573 7.716 3.175 167 HB2 GLN 27 1HB GLN 27 6.627 5.607 2.510 168 HB3 GLN 27 2HB GLN 27 5.488 6.251 1.335 169 HG2 GLN 27 1HG GLN 27 6.413 8.535 1.875 170 HG3 GLN 27 2HG GLN 27 7.690 7.706 2.764 171 HE21 GLN 27 1HE2 GLN 27 8.642 9.199 0.898 172 HE22 GLN 27 2HE2 GLN 27 9.093 8.320 -0.519 173 H LEU 28 H LEU 28 4.988 4.671 4.789 174 HA LEU 28 HA LEU 28 2.768 3.419 3.407 175 HB2 LEU 28 1HB LEU 28 4.377 1.853 3.923 176 HB3 LEU 28 2HB LEU 28 4.733 2.582 5.487 177 HG LEU 28 HG LEU 28 2.767 1.616 6.457 178 HD11 LEU 28 1HD1 LEU 28 0.994 1.491 5.095 179 HD12 LEU 28 2HD1 LEU 28 1.628 -0.103 4.685 180 HD13 LEU 28 3HD1 LEU 28 1.989 1.282 3.653 181 HD21 LEU 28 3HD2 LEU 28 4.530 0.093 6.566 182 HD22 LEU 28 1HD2 LEU 28 4.470 -0.245 4.836 183 HD23 LEU 28 2HD2 LEU 28 3.200 -0.854 5.898 184 H ILE 29 H ILE 29 3.497 4.574 6.686 185 HA ILE 29 HA ILE 29 1.155 3.911 7.972 186 HB ILE 29 HB ILE 29 3.025 6.229 8.308 187 HG12 ILE 29 1HG1 ILE 29 3.258 5.050 10.577 188 HG13 ILE 29 2HG1 ILE 29 2.341 3.733 9.853 189 HG21 ILE 29 1HG2 ILE 29 1.575 6.404 10.560 190 HG22 ILE 29 2HG2 ILE 29 1.275 7.394 9.133 191 HG23 ILE 29 3HG2 ILE 29 0.308 5.948 9.422 192 HD11 ILE 29 3HD1 ILE 29 4.956 4.809 8.825 193 HD12 ILE 29 1HD1 ILE 29 4.748 3.338 9.774 194 HD13 ILE 29 2HD1 ILE 29 4.049 3.451 8.158 195 H SER 30 H SER 30 1.830 6.902 6.161 196 HA SER 30 HA SER 30 -0.575 8.203 6.520 197 HB2 SER 30 1HB SER 30 1.588 8.917 5.233 198 HB3 SER 30 2HB SER 30 0.754 8.251 3.829 199 HG SER 30 HG SER 30 -0.026 10.401 5.488 200 H HIS 31 H HIS 31 0.181 5.513 4.420 201 HA HIS 31 HA HIS 31 -2.262 5.651 2.924 202 HB2 HIS 31 1HB HIS 31 -0.391 4.631 1.844 203 HB3 HIS 31 2HB HIS 31 -0.134 3.526 3.191 204 HD1 HIS 31 HD1 HIS 31 -2.413 4.112 0.260 205 HD2 HIS 31 HD2 HIS 31 -1.652 1.210 3.133 206 HE1 HIS 31 HE1 HIS 31 -3.701 2.082 -0.477 207 H GLN 32 H GLN 32 -1.050 3.621 5.572 208 HA GLN 32 HA GLN 32 -3.151 1.866 5.848 209 HB2 GLN 32 1HB GLN 32 -1.548 3.149 8.067 210 HB3 GLN 32 2HB GLN 32 -2.514 1.688 8.223 211 HG2 GLN 32 1HG GLN 32 -1.027 0.782 6.317 212 HG3 GLN 32 2HG GLN 32 0.055 2.103 6.756 213 HE21 GLN 32 1HE2 GLN 32 -0.525 -1.063 7.226 214 HE22 GLN 32 2HE2 GLN 32 0.195 -1.278 8.781 215 H ARG 33 H ARG 33 -3.074 5.248 6.525 216 HA ARG 33 HA ARG 33 -5.124 5.487 8.401 217 HB2 ARG 33 1HB ARG 33 -4.565 7.415 6.144 218 HB3 ARG 33 2HB ARG 33 -5.328 7.780 7.685 219 HG2 ARG 33 1HG ARG 33 -2.484 6.845 7.370 220 HG3 ARG 33 2HG ARG 33 -2.978 8.531 7.533 221 HD2 ARG 33 1HD ARG 33 -3.923 6.586 9.573 222 HD3 ARG 33 2HD ARG 33 -2.231 7.079 9.619 223 HE ARG 33 HE ARG 33 -4.524 8.679 10.295 224 HH11 ARG 33 1HH1 ARG 33 -1.196 8.717 9.272 225 HH12 ARG 33 2HH1 ARG 33 -0.890 10.308 9.887 226 HH21 ARG 33 1HH2 ARG 33 -4.132 10.773 11.109 227 HH22 ARG 33 2HH2 ARG 33 -2.560 11.476 10.933 228 H THR 34 H THR 34 -5.234 4.904 4.964 229 HA THR 34 HA THR 34 -7.974 5.541 4.574 230 HB THR 34 HB THR 34 -7.788 4.532 2.429 231 HG1 THR 34 HG1 THR 34 -5.620 3.324 2.118 232 HG21 THR 34 3HG2 THR 34 -5.356 5.301 1.766 233 HG22 THR 34 1HG2 THR 34 -5.360 5.969 3.397 234 HG23 THR 34 2HG2 THR 34 -6.582 6.480 2.232 235 H HIS 35 H HIS 35 -6.318 2.781 5.837 236 HA HIS 35 HA HIS 35 -8.596 1.013 5.514 237 HB2 HIS 35 1HB HIS 35 -5.855 0.684 6.720 238 HB3 HIS 35 2HB HIS 35 -7.099 -0.550 6.898 239 HD1 HIS 35 HD1 HIS 35 -8.144 -1.315 4.423 240 HD2 HIS 35 HD2 HIS 35 -4.317 0.298 4.537 241 HE1 HIS 35 HE1 HIS 35 -7.047 -2.036 2.279 242 H ALA 36 H ALA 36 -8.162 3.530 7.422 243 HA ALA 36 HA ALA 36 -9.306 2.237 9.811 244 HB1 ALA 36 3HB ALA 36 -7.172 4.085 9.550 245 HB2 ALA 36 1HB ALA 36 -8.494 4.895 10.392 246 HB3 ALA 36 2HB ALA 36 -7.843 3.381 11.021 247 H GLY 37 H GLY 37 -9.557 5.020 7.636 248 HA2 GLY 37 1HA GLY 37 -11.507 6.563 8.603 249 HA3 GLY 37 2HA GLY 37 -11.513 6.063 6.918 250 H GLU 38 H GLU 38 -13.503 6.399 9.377 251 HA GLU 38 HA GLU 38 -15.265 4.280 8.434 252 HB2 GLU 38 1HB GLU 38 -14.216 4.509 11.226 253 HB3 GLU 38 2HB GLU 38 -15.857 3.932 10.974 254 HG2 GLU 38 1HG GLU 38 -14.723 2.303 9.285 255 HG3 GLU 38 2HG GLU 38 -13.268 2.673 10.209 256 H LYS 39 H LYS 39 -17.457 4.522 9.733 257 HA LYS 39 HA LYS 39 -18.060 7.399 9.942 258 HB2 LYS 39 1HB LYS 39 -18.969 6.618 7.854 259 HB3 LYS 39 2HB LYS 39 -19.698 5.222 8.637 260 HG2 LYS 39 1HG LYS 39 -21.142 6.780 9.930 261 HG3 LYS 39 2HG LYS 39 -20.484 8.108 8.972 262 HD2 LYS 39 1HD LYS 39 -21.366 7.158 6.948 263 HD3 LYS 39 2HD LYS 39 -21.877 5.701 7.804 264 HE2 LYS 39 1HE LYS 39 -22.901 8.325 8.757 265 HE3 LYS 39 2HE LYS 39 -23.561 7.672 7.259 266 HZ1 LYS 39 3HZ LYS 39 -24.715 6.139 8.365 267 HZ2 LYS 39 1HZ LYS 39 -24.406 7.049 9.758 268 HZ3 LYS 39 2HZ LYS 39 -23.416 5.733 9.371 269 HA PRO 40 HA PRO 40 -19.595 6.341 13.949 270 HB2 PRO 40 1HB PRO 40 -20.951 8.641 14.436 271 HB3 PRO 40 2HB PRO 40 -19.188 8.532 14.505 272 HG2 PRO 40 1HG PRO 40 -20.937 9.554 12.301 273 HG3 PRO 40 2HG PRO 40 -19.427 10.232 12.937 274 HD2 PRO 40 1HD PRO 40 -19.523 8.778 10.655 275 HD3 PRO 40 2HD PRO 40 -18.115 8.767 11.736 276 H SER 41 H SER 41 -21.811 6.623 15.138 277 HA SER 41 HA SER 41 -23.929 5.783 13.269 278 HB2 SER 41 1HB SER 41 -24.850 4.439 15.125 279 HB3 SER 41 2HB SER 41 -23.201 3.955 14.729 280 HG SER 41 HG SER 41 -23.513 5.913 16.681 281 H GLY 42 H GLY 42 -26.146 6.271 13.939 282 HA2 GLY 42 1HA GLY 42 -26.282 8.966 15.047 283 HA3 GLY 42 2HA GLY 42 -27.568 8.125 14.194 284 HA PRO 43 HA PRO 43 -29.508 7.441 18.075 285 HB2 PRO 43 1HB PRO 43 -31.089 5.336 17.410 286 HB3 PRO 43 2HB PRO 43 -31.415 6.989 16.876 287 HG2 PRO 43 1HG PRO 43 -30.108 4.742 15.392 288 HG3 PRO 43 2HG PRO 43 -31.311 5.912 14.818 289 HD2 PRO 43 1HD PRO 43 -28.669 6.154 14.275 290 HD3 PRO 43 2HD PRO 43 -29.735 7.559 14.483 291 H SER 44 H SER 44 -29.931 5.676 19.675 292 HA SER 44 HA SER 44 -27.643 4.403 20.482 293 HB2 SER 44 1HB SER 44 -30.462 3.422 20.991 294 HB3 SER 44 2HB SER 44 -29.037 3.058 21.965 295 HG SER 44 HG SER 44 -29.586 5.744 21.544 296 H SER 45 H SER 45 -26.717 2.407 20.226 297 HA SER 45 HA SER 45 -26.915 1.125 17.774 298 HB2 SER 45 1HB SER 45 -24.932 0.794 19.040 299 HB3 SER 45 2HB SER 45 -25.830 0.187 20.430 300 HG SER 45 HG SER 45 -24.725 -1.367 18.904 301 H GLY 46 H GLY 46 -28.448 -0.109 16.926 302 HA2 GLY 46 1HA GLY 46 -29.660 -2.261 18.344 303 HA3 GLY 46 2HA GLY 46 -30.773 -0.910 18.190 Start of MODEL 17 1 H1 GLY 1 H GLY 1 6.865 -19.523 -5.505 2 HA2 GLY 1 1HA GLY 1 5.315 -19.350 -7.773 3 HA3 GLY 1 2HA GLY 1 5.003 -17.860 -6.895 4 H SER 2 H SER 2 6.249 -16.202 -7.418 5 HA SER 2 HA SER 2 8.766 -16.731 -8.824 6 HB2 SER 2 1HB SER 2 8.565 -14.602 -9.814 7 HB3 SER 2 2HB SER 2 6.912 -15.215 -9.776 8 HG SER 2 HG SER 2 8.115 -13.326 -8.042 9 H SER 3 H SER 3 10.695 -16.238 -7.979 10 HA SER 3 HA SER 3 10.824 -14.459 -5.652 11 HB2 SER 3 1HB SER 3 12.096 -15.979 -4.346 12 HB3 SER 3 2HB SER 3 10.737 -16.918 -4.964 13 HG SER 3 HG SER 3 13.406 -16.896 -5.921 14 H GLY 4 H GLY 4 12.742 -13.322 -5.427 15 HA2 GLY 4 1HA GLY 4 15.173 -13.804 -6.651 16 HA3 GLY 4 2HA GLY 4 14.225 -12.901 -7.823 17 H SER 5 H SER 5 15.619 -12.814 -4.592 18 HA SER 5 HA SER 5 15.173 -9.925 -4.453 19 HB2 SER 5 1HB SER 5 14.654 -11.447 -2.491 20 HB3 SER 5 2HB SER 5 16.393 -11.688 -2.323 21 HG SER 5 HG SER 5 14.838 -9.486 -1.713 22 H SER 6 H SER 6 17.803 -12.301 -4.275 23 HA SER 6 HA SER 6 20.003 -10.844 -3.801 24 HB2 SER 6 1HB SER 6 20.046 -13.240 -4.402 25 HB3 SER 6 2HB SER 6 19.764 -12.814 -6.090 26 HG SER 6 HG SER 6 22.068 -12.631 -4.573 27 H GLY 7 H GLY 7 20.972 -9.089 -4.583 28 HA2 GLY 7 1HA GLY 7 21.869 -8.005 -6.625 29 HA3 GLY 7 2HA GLY 7 20.273 -8.233 -7.325 30 H THR 8 H THR 8 18.520 -6.966 -6.544 31 HA THR 8 HA THR 8 19.352 -4.566 -5.047 32 HB THR 8 HB THR 8 19.088 -3.929 -7.367 33 HG1 THR 8 HG1 THR 8 17.703 -2.256 -6.993 34 HG21 THR 8 3HG2 THR 8 16.765 -5.696 -7.201 35 HG22 THR 8 1HG2 THR 8 17.717 -5.208 -8.603 36 HG23 THR 8 2HG2 THR 8 16.427 -4.164 -8.006 37 H GLY 9 H GLY 9 17.890 -3.707 -3.589 38 HA2 GLY 9 1HA GLY 9 15.862 -5.556 -2.656 39 HA3 GLY 9 2HA GLY 9 16.367 -4.071 -1.864 40 H GLU 10 H GLU 10 13.850 -4.247 -1.668 41 HA GLU 10 HA GLU 10 12.781 -2.400 -3.661 42 HB2 GLU 10 1HB GLU 10 10.671 -3.696 -3.819 43 HB3 GLU 10 2HB GLU 10 12.054 -4.544 -4.496 44 HG2 GLU 10 1HG GLU 10 10.887 -6.169 -3.304 45 HG3 GLU 10 2HG GLU 10 12.229 -5.726 -2.252 46 H ASN 11 H ASN 11 10.513 -1.654 -2.934 47 HA ASN 11 HA ASN 11 10.562 -0.144 -0.742 48 HB2 ASN 11 1HB ASN 11 8.193 -1.701 -1.788 49 HB3 ASN 11 2HB ASN 11 8.054 -0.447 -0.559 50 HD21 ASN 11 1HD2 ASN 11 8.074 -1.113 -3.835 51 HD22 ASN 11 2HD2 ASN 11 8.207 0.504 -4.429 52 HA PRO 12 HA PRO 12 11.163 -3.316 2.430 53 HB2 PRO 12 1HB PRO 12 12.104 -1.575 4.289 54 HB3 PRO 12 2HB PRO 12 13.113 -2.242 3.000 55 HG2 PRO 12 1HG PRO 12 11.755 0.421 3.156 56 HG3 PRO 12 2HG PRO 12 13.392 0.031 2.598 57 HD2 PRO 12 1HD PRO 12 11.339 0.478 0.890 58 HD3 PRO 12 2HD PRO 12 12.658 -0.652 0.522 59 H TYR 13 H TYR 13 9.015 -0.758 2.118 60 HA TYR 13 HA TYR 13 7.646 -1.510 4.618 61 HB2 TYR 13 1HB TYR 13 7.496 1.188 3.265 62 HB3 TYR 13 2HB TYR 13 6.798 0.740 4.817 63 HD1 TYR 13 HD1 TYR 13 8.280 0.342 6.768 64 HD2 TYR 13 HD2 TYR 13 9.789 1.820 3.074 65 HE1 TYR 13 HE1 TYR 13 10.332 1.077 7.907 66 HE2 TYR 13 HE2 TYR 13 11.846 2.557 4.203 67 HH TYR 13 HH TYR 13 13.039 2.462 6.103 68 H GLU 14 H GLU 14 6.133 -2.915 3.930 69 HA GLU 14 HA GLU 14 4.377 -2.047 1.728 70 HB2 GLU 14 1HB GLU 14 5.542 -4.692 2.407 71 HB3 GLU 14 2HB GLU 14 3.889 -4.683 1.808 72 HG2 GLU 14 1HG GLU 14 4.494 -4.004 -0.275 73 HG3 GLU 14 2HG GLU 14 5.907 -3.122 0.301 74 H CYS 15 H CYS 15 2.176 -2.180 2.000 75 HA CYS 15 HA CYS 15 1.212 -2.064 4.681 76 HB2 CYS 15 1HB CYS 15 0.272 -0.747 2.768 77 HB3 CYS 15 2HB CYS 15 -0.405 -2.243 2.132 78 H HIS 16 H HIS 16 0.431 -3.633 5.929 79 HA HIS 16 HA HIS 16 0.276 -6.331 4.863 80 HB2 HIS 16 1HB HIS 16 -0.013 -6.994 7.233 81 HB3 HIS 16 2HB HIS 16 1.433 -6.022 6.977 82 HD1 HIS 16 HD1 HIS 16 1.748 -4.511 8.895 83 HD2 HIS 16 HD2 HIS 16 -2.270 -4.948 7.932 84 HE1 HIS 16 HE1 HIS 16 0.507 -3.027 10.502 85 H GLU 17 H GLU 17 -1.753 -4.183 4.272 86 HA GLU 17 HA GLU 17 -4.135 -5.621 5.244 87 HB2 GLU 17 1HB GLU 17 -3.989 -2.724 4.399 88 HB3 GLU 17 2HB GLU 17 -5.382 -3.551 5.082 89 HG2 GLU 17 1HG GLU 17 -4.022 -3.929 7.152 90 HG3 GLU 17 2HG GLU 17 -2.801 -2.865 6.458 91 H CYS 18 H CYS 18 -2.927 -3.653 2.533 92 HA CYS 18 HA CYS 18 -4.740 -5.130 0.748 93 HB2 CYS 18 1HB CYS 18 -4.463 -3.259 -0.823 94 HB3 CYS 18 2HB CYS 18 -5.075 -2.707 0.733 95 H GLY 19 H GLY 19 -1.426 -3.863 0.977 96 HA2 GLY 19 1HA GLY 19 0.307 -5.591 0.426 97 HA3 GLY 19 2HA GLY 19 -0.630 -5.877 -1.033 98 H LYS 20 H LYS 20 -0.292 -2.645 0.166 99 HA LYS 20 HA LYS 20 0.981 -1.816 -2.269 100 HB2 LYS 20 1HB LYS 20 -0.742 -0.528 -0.816 101 HB3 LYS 20 2HB LYS 20 0.652 -0.070 0.154 102 HG2 LYS 20 1HG LYS 20 1.620 1.140 -1.598 103 HG3 LYS 20 2HG LYS 20 0.582 0.382 -2.809 104 HD2 LYS 20 1HD LYS 20 -0.661 1.981 -0.617 105 HD3 LYS 20 2HD LYS 20 0.099 2.820 -1.971 106 HE2 LYS 20 1HE LYS 20 -1.897 0.623 -2.410 107 HE3 LYS 20 2HE LYS 20 -2.411 2.284 -2.121 108 HZ1 LYS 20 3HZ LYS 20 -0.654 2.720 -4.020 109 HZ2 LYS 20 1HZ LYS 20 -2.261 2.322 -4.368 110 HZ3 LYS 20 2HZ LYS 20 -1.061 1.133 -4.440 111 H ALA 21 H ALA 21 2.884 -0.235 -2.097 112 HA ALA 21 HA ALA 21 4.828 -1.101 -0.076 113 HB1 ALA 21 3HB ALA 21 5.827 -2.370 -1.624 114 HB2 ALA 21 1HB ALA 21 4.953 -1.605 -2.951 115 HB3 ALA 21 2HB ALA 21 6.404 -0.845 -2.296 116 H PHE 22 H PHE 22 6.371 0.423 0.483 117 HA PHE 22 HA PHE 22 6.281 3.018 -0.871 118 HB2 PHE 22 1HB PHE 22 6.103 2.754 2.135 119 HB3 PHE 22 2HB PHE 22 6.026 4.238 1.191 120 HD1 PHE 22 HD2 PHE 22 4.257 1.003 1.683 121 HD2 PHE 22 HD1 PHE 22 3.973 5.104 0.577 122 HE1 PHE 22 HE2 PHE 22 1.807 0.802 1.577 123 HE2 PHE 22 HE1 PHE 22 1.523 4.909 0.470 124 HZ PHE 22 HZ PHE 22 0.437 2.755 0.969 125 H SER 23 H SER 23 8.120 4.372 -0.436 126 HA SER 23 HA SER 23 10.548 2.885 -0.271 127 HB2 SER 23 1HB SER 23 9.970 5.131 -1.544 128 HB3 SER 23 2HB SER 23 10.525 5.867 -0.041 129 HG SER 23 HG SER 23 12.136 3.869 -1.082 130 H ARG 24 H ARG 24 9.078 5.376 1.805 131 HA ARG 24 HA ARG 24 10.950 4.629 3.940 132 HB2 ARG 24 1HB ARG 24 9.087 6.981 4.057 133 HB3 ARG 24 2HB ARG 24 10.617 6.742 4.891 134 HG2 ARG 24 1HG ARG 24 11.507 6.716 2.376 135 HG3 ARG 24 2HG ARG 24 10.076 7.726 2.160 136 HD2 ARG 24 1HD ARG 24 10.893 9.406 3.486 137 HD3 ARG 24 2HD ARG 24 11.892 8.311 4.442 138 HE ARG 24 HE ARG 24 12.731 8.613 1.699 139 HH11 ARG 24 1HH1 ARG 24 13.007 9.811 4.956 140 HH12 ARG 24 2HH1 ARG 24 14.554 10.545 4.694 141 HH21 ARG 24 1HH2 ARG 24 14.768 9.575 1.342 142 HH22 ARG 24 2HH2 ARG 24 15.555 10.411 2.638 143 H LYS 25 H LYS 25 9.915 4.913 6.210 144 HA LYS 25 HA LYS 25 7.859 2.951 6.432 145 HB2 LYS 25 1HB LYS 25 9.550 3.091 8.145 146 HB3 LYS 25 2HB LYS 25 9.141 4.768 8.477 147 HG2 LYS 25 1HG LYS 25 8.041 3.781 10.195 148 HG3 LYS 25 2HG LYS 25 6.768 3.705 8.975 149 HD2 LYS 25 1HD LYS 25 7.740 1.406 8.384 150 HD3 LYS 25 2HD LYS 25 8.597 1.519 9.923 151 HE2 LYS 25 1HE LYS 25 6.711 0.461 10.636 152 HE3 LYS 25 2HE LYS 25 6.172 2.132 10.799 153 HZ1 LYS 25 3HZ LYS 25 5.299 0.080 8.950 154 HZ2 LYS 25 1HZ LYS 25 5.505 1.614 8.267 155 HZ3 LYS 25 2HZ LYS 25 4.455 1.405 9.576 156 H TYR 26 H TYR 26 7.979 6.447 7.070 157 HA TYR 26 HA TYR 26 5.336 6.754 7.925 158 HB2 TYR 26 1HB TYR 26 5.746 9.007 7.889 159 HB3 TYR 26 2HB TYR 26 7.404 8.424 7.810 160 HD1 TYR 26 HD1 TYR 26 8.542 8.313 5.558 161 HD2 TYR 26 HD2 TYR 26 4.837 10.318 6.154 162 HE1 TYR 26 HE1 TYR 26 8.885 9.556 3.463 163 HE2 TYR 26 HE2 TYR 26 5.169 11.566 4.060 164 HH TYR 26 HH TYR 26 6.397 11.421 2.005 165 H GLN 27 H GLN 27 6.738 6.810 4.685 166 HA GLN 27 HA GLN 27 4.597 7.733 3.211 167 HB2 GLN 27 1HB GLN 27 6.674 5.651 2.541 168 HB3 GLN 27 2HB GLN 27 5.510 6.247 1.365 169 HG2 GLN 27 1HG GLN 27 6.402 8.580 2.006 170 HG3 GLN 27 2HG GLN 27 7.768 7.694 2.682 171 HE21 GLN 27 1HE2 GLN 27 8.766 9.131 0.959 172 HE22 GLN 27 2HE2 GLN 27 8.948 8.429 -0.609 173 H LEU 28 H LEU 28 5.003 4.673 4.797 174 HA LEU 28 HA LEU 28 2.789 3.432 3.398 175 HB2 LEU 28 1HB LEU 28 4.389 1.861 3.921 176 HB3 LEU 28 2HB LEU 28 4.739 2.586 5.489 177 HG LEU 28 HG LEU 28 2.724 1.641 6.424 178 HD11 LEU 28 1HD1 LEU 28 1.061 1.581 4.872 179 HD12 LEU 28 2HD1 LEU 28 1.575 -0.104 4.800 180 HD13 LEU 28 3HD1 LEU 28 2.131 1.039 3.578 181 HD21 LEU 28 3HD2 LEU 28 4.410 -0.314 4.872 182 HD22 LEU 28 1HD2 LEU 28 3.236 -0.792 6.099 183 HD23 LEU 28 2HD2 LEU 28 4.620 0.208 6.545 184 H ILE 29 H ILE 29 3.496 4.523 6.708 185 HA ILE 29 HA ILE 29 1.150 3.874 7.970 186 HB ILE 29 HB ILE 29 3.048 6.157 8.321 187 HG12 ILE 29 1HG1 ILE 29 2.978 4.976 10.684 188 HG13 ILE 29 2HG1 ILE 29 2.294 3.644 9.758 189 HG21 ILE 29 1HG2 ILE 29 0.291 5.989 9.386 190 HG22 ILE 29 2HG2 ILE 29 1.557 6.490 10.506 191 HG23 ILE 29 3HG2 ILE 29 1.283 7.400 9.020 192 HD11 ILE 29 3HD1 ILE 29 4.257 3.134 8.813 193 HD12 ILE 29 1HD1 ILE 29 4.723 4.823 8.617 194 HD13 ILE 29 2HD1 ILE 29 4.931 4.026 10.177 195 H SER 30 H SER 30 1.817 6.891 6.195 196 HA SER 30 HA SER 30 -0.586 8.180 6.533 197 HB2 SER 30 1HB SER 30 1.499 9.001 5.304 198 HB3 SER 30 2HB SER 30 0.870 8.158 3.889 199 HG SER 30 HG SER 30 -1.144 9.523 4.713 200 H HIS 31 H HIS 31 0.201 5.582 4.290 201 HA HIS 31 HA HIS 31 -2.234 5.677 2.834 202 HB2 HIS 31 1HB HIS 31 -0.396 4.593 1.790 203 HB3 HIS 31 2HB HIS 31 -0.130 3.545 3.179 204 HD1 HIS 31 HD1 HIS 31 -2.600 4.073 0.363 205 HD2 HIS 31 HD2 HIS 31 -1.464 1.157 3.095 206 HE1 HIS 31 HE1 HIS 31 -3.841 1.994 -0.318 207 H GLN 32 H GLN 32 -1.095 3.509 5.423 208 HA GLN 32 HA GLN 32 -3.254 1.873 5.721 209 HB2 GLN 32 1HB GLN 32 -1.704 3.111 8.001 210 HB3 GLN 32 2HB GLN 32 -2.629 1.617 8.062 211 HG2 GLN 32 1HG GLN 32 -1.070 0.780 6.226 212 HG3 GLN 32 2HG GLN 32 -0.055 2.163 6.631 213 HE21 GLN 32 1HE2 GLN 32 -0.614 -1.028 7.240 214 HE22 GLN 32 2HE2 GLN 32 0.183 -1.170 8.766 215 H ARG 33 H ARG 33 -3.011 5.239 6.597 216 HA ARG 33 HA ARG 33 -5.035 5.595 8.399 217 HB2 ARG 33 1HB ARG 33 -4.489 7.371 6.013 218 HB3 ARG 33 2HB ARG 33 -5.314 7.845 7.492 219 HG2 ARG 33 1HG ARG 33 -2.513 6.795 7.566 220 HG3 ARG 33 2HG ARG 33 -2.846 8.487 7.189 221 HD2 ARG 33 1HD ARG 33 -3.858 8.854 9.294 222 HD3 ARG 33 2HD ARG 33 -3.943 7.126 9.636 223 HE ARG 33 HE ARG 33 -1.769 7.194 10.361 224 HH11 ARG 33 1HH1 ARG 33 -2.495 10.119 8.620 225 HH12 ARG 33 2HH1 ARG 33 -1.013 10.903 9.057 226 HH21 ARG 33 1HH2 ARG 33 0.186 8.214 10.945 227 HH22 ARG 33 2HH2 ARG 33 0.511 9.818 10.379 228 H THR 34 H THR 34 -5.315 4.992 4.950 229 HA THR 34 HA THR 34 -8.062 5.565 4.679 230 HB THR 34 HB THR 34 -7.982 4.438 2.580 231 HG1 THR 34 HG1 THR 34 -6.958 2.591 2.543 232 HG21 THR 34 3HG2 THR 34 -5.382 5.156 2.003 233 HG22 THR 34 1HG2 THR 34 -5.779 6.164 3.393 234 HG23 THR 34 2HG2 THR 34 -6.785 6.223 1.946 235 H HIS 35 H HIS 35 -6.320 2.617 5.537 236 HA HIS 35 HA HIS 35 -8.617 0.931 5.528 237 HB2 HIS 35 1HB HIS 35 -5.854 0.649 6.701 238 HB3 HIS 35 2HB HIS 35 -7.087 -0.593 6.901 239 HD1 HIS 35 HD1 HIS 35 -8.094 -1.496 4.499 240 HD2 HIS 35 HD2 HIS 35 -4.373 0.353 4.456 241 HE1 HIS 35 HE1 HIS 35 -7.015 -2.207 2.341 242 H ALA 36 H ALA 36 -6.909 2.760 8.019 243 HA ALA 36 HA ALA 36 -7.892 1.890 10.356 244 HB1 ALA 36 3HB ALA 36 -6.870 4.343 9.418 245 HB2 ALA 36 1HB ALA 36 -8.306 4.716 10.372 246 HB3 ALA 36 2HB ALA 36 -6.991 3.781 11.085 247 H GLY 37 H GLY 37 -9.736 2.271 11.669 248 HA2 GLY 37 1HA GLY 37 -12.146 3.136 10.205 249 HA3 GLY 37 2HA GLY 37 -12.141 1.627 11.106 250 H GLU 38 H GLU 38 -11.177 5.013 11.696 251 HA GLU 38 HA GLU 38 -12.936 5.058 14.027 252 HB2 GLU 38 1HB GLU 38 -10.014 5.820 14.170 253 HB3 GLU 38 2HB GLU 38 -11.185 5.968 15.473 254 HG2 GLU 38 1HG GLU 38 -11.388 3.611 15.672 255 HG3 GLU 38 2HG GLU 38 -10.465 3.346 14.194 256 H LYS 39 H LYS 39 -13.458 7.180 14.765 257 HA LYS 39 HA LYS 39 -13.339 9.150 12.622 258 HB2 LYS 39 1HB LYS 39 -15.099 10.294 13.771 259 HB3 LYS 39 2HB LYS 39 -15.489 8.579 13.780 260 HG2 LYS 39 1HG LYS 39 -14.422 8.531 16.101 261 HG3 LYS 39 2HG LYS 39 -14.532 10.292 16.044 262 HD2 LYS 39 1HD LYS 39 -16.501 9.644 17.117 263 HD3 LYS 39 2HD LYS 39 -17.004 9.912 15.446 264 HE2 LYS 39 1HE LYS 39 -16.952 7.548 15.000 265 HE3 LYS 39 2HE LYS 39 -16.271 7.221 16.593 266 HZ1 LYS 39 3HZ LYS 39 -18.843 7.011 16.091 267 HZ2 LYS 39 1HZ LYS 39 -18.812 8.653 16.498 268 HZ3 LYS 39 2HZ LYS 39 -18.262 7.497 17.604 269 HA PRO 40 HA PRO 40 -10.160 11.550 14.503 270 HB2 PRO 40 1HB PRO 40 -10.682 13.936 13.317 271 HB3 PRO 40 2HB PRO 40 -9.941 12.580 12.460 272 HG2 PRO 40 1HG PRO 40 -12.794 13.485 12.464 273 HG3 PRO 40 2HG PRO 40 -11.790 12.955 11.102 274 HD2 PRO 40 1HD PRO 40 -13.604 11.335 12.292 275 HD3 PRO 40 2HD PRO 40 -12.097 10.721 11.582 276 H SER 41 H SER 41 -13.510 12.212 14.890 277 HA SER 41 HA SER 41 -13.639 14.539 16.318 278 HB2 SER 41 1HB SER 41 -15.464 12.709 15.723 279 HB3 SER 41 2HB SER 41 -15.169 12.206 17.387 280 HG SER 41 HG SER 41 -16.728 13.710 17.562 281 H GLY 42 H GLY 42 -13.172 15.231 18.350 282 HA2 GLY 42 1HA GLY 42 -11.097 14.098 19.793 283 HA3 GLY 42 2HA GLY 42 -12.243 15.258 20.450 284 HA PRO 43 HA PRO 43 -12.847 10.725 22.013 285 HB2 PRO 43 1HB PRO 43 -11.017 10.558 24.011 286 HB3 PRO 43 2HB PRO 43 -10.684 10.030 22.357 287 HG2 PRO 43 1HG PRO 43 -9.938 12.593 23.714 288 HG3 PRO 43 2HG PRO 43 -8.962 11.567 22.647 289 HD2 PRO 43 1HD PRO 43 -10.178 13.827 21.783 290 HD3 PRO 43 2HD PRO 43 -9.933 12.414 20.736 291 H SER 44 H SER 44 -14.720 12.089 22.620 292 HA SER 44 HA SER 44 -16.008 13.312 24.106 293 HB2 SER 44 1HB SER 44 -15.001 11.109 25.921 294 HB3 SER 44 2HB SER 44 -16.521 11.990 26.075 295 HG SER 44 HG SER 44 -15.974 9.814 24.602 296 H SER 45 H SER 45 -13.546 14.562 23.919 297 HA SER 45 HA SER 45 -12.884 15.238 26.706 298 HB2 SER 45 1HB SER 45 -10.780 16.170 25.796 299 HB3 SER 45 2HB SER 45 -10.968 14.462 25.402 300 HG SER 45 HG SER 45 -12.067 15.638 23.410 301 H GLY 46 H GLY 46 -12.193 17.581 26.995 302 HA2 GLY 46 1HA GLY 46 -14.377 19.257 26.340 303 HA3 GLY 46 2HA GLY 46 -12.871 19.774 27.085 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -1.065 -21.115 -23.125 2 HA2 GLY 1 1HA GLY 1 -0.064 -18.564 -24.234 3 HA3 GLY 1 2HA GLY 1 -1.452 -18.666 -23.161 4 H SER 2 H SER 2 1.163 -17.232 -22.948 5 HA SER 2 HA SER 2 1.988 -18.352 -20.349 6 HB2 SER 2 1HB SER 2 3.629 -17.259 -22.602 7 HB3 SER 2 2HB SER 2 4.210 -17.071 -20.948 8 HG SER 2 HG SER 2 4.957 -19.015 -21.293 9 H SER 3 H SER 3 1.945 -17.014 -18.643 10 HA SER 3 HA SER 3 0.807 -14.390 -18.984 11 HB2 SER 3 1HB SER 3 0.293 -16.044 -17.088 12 HB3 SER 3 2HB SER 3 1.832 -15.539 -16.391 13 HG SER 3 HG SER 3 0.979 -13.688 -15.840 14 H GLY 4 H GLY 4 1.750 -12.501 -17.780 15 HA2 GLY 4 1HA GLY 4 4.699 -12.522 -17.912 16 HA3 GLY 4 2HA GLY 4 3.767 -11.230 -18.654 17 H SER 5 H SER 5 4.513 -12.783 -15.567 18 HA SER 5 HA SER 5 3.274 -10.880 -13.909 19 HB2 SER 5 1HB SER 5 3.886 -12.981 -12.952 20 HB3 SER 5 2HB SER 5 5.572 -12.781 -13.426 21 HG SER 5 HG SER 5 4.758 -12.252 -11.132 22 H SER 6 H SER 6 3.797 -8.859 -13.412 23 HA SER 6 HA SER 6 6.579 -7.996 -13.492 24 HB2 SER 6 1HB SER 6 5.959 -5.968 -14.837 25 HB3 SER 6 2HB SER 6 5.878 -7.481 -15.740 26 HG SER 6 HG SER 6 4.024 -5.832 -15.767 27 H GLY 7 H GLY 7 6.828 -7.252 -11.485 28 HA2 GLY 7 1HA GLY 7 4.943 -5.208 -10.535 29 HA3 GLY 7 2HA GLY 7 5.294 -6.583 -9.498 30 H THR 8 H THR 8 6.815 -3.878 -11.208 31 HA THR 8 HA THR 8 9.246 -4.075 -9.684 32 HB THR 8 HB THR 8 9.308 -3.205 -11.969 33 HG1 THR 8 HG1 THR 8 10.983 -2.221 -11.127 34 HG21 THR 8 3HG2 THR 8 8.388 -1.015 -12.514 35 HG22 THR 8 1HG2 THR 8 7.733 -0.866 -10.883 36 HG23 THR 8 2HG2 THR 8 7.107 -2.101 -11.976 37 H GLY 9 H GLY 9 9.922 -2.811 -7.992 38 HA2 GLY 9 1HA GLY 9 9.202 -0.471 -6.984 39 HA3 GLY 9 2HA GLY 9 7.800 -1.432 -6.536 40 H GLU 10 H GLU 10 11.308 -1.182 -6.176 41 HA GLU 10 HA GLU 10 11.448 -3.128 -4.085 42 HB2 GLU 10 1HB GLU 10 13.376 -2.636 -5.523 43 HB3 GLU 10 2HB GLU 10 13.428 -0.993 -4.900 44 HG2 GLU 10 1HG GLU 10 15.126 -2.325 -3.840 45 HG3 GLU 10 2HG GLU 10 13.899 -1.874 -2.658 46 H ASN 11 H ASN 11 9.962 -2.507 -2.510 47 HA ASN 11 HA ASN 11 10.805 -0.199 -0.894 48 HB2 ASN 11 1HB ASN 11 8.041 -0.927 -1.818 49 HB3 ASN 11 2HB ASN 11 8.270 -0.036 -0.316 50 HD21 ASN 11 1HD2 ASN 11 6.844 1.122 -2.264 51 HD22 ASN 11 2HD2 ASN 11 7.733 2.411 -2.994 52 HA PRO 12 HA PRO 12 11.021 -3.500 2.111 53 HB2 PRO 12 1HB PRO 12 12.026 -1.960 4.108 54 HB3 PRO 12 2HB PRO 12 13.013 -2.567 2.774 55 HG2 PRO 12 1HG PRO 12 11.778 0.135 3.140 56 HG3 PRO 12 2HG PRO 12 13.400 -0.284 2.558 57 HD2 PRO 12 1HD PRO 12 11.383 0.394 0.884 58 HD3 PRO 12 2HD PRO 12 12.651 -0.763 0.431 59 H TYR 13 H TYR 13 9.050 -0.754 2.058 60 HA TYR 13 HA TYR 13 7.660 -1.599 4.514 61 HB2 TYR 13 1HB TYR 13 7.524 1.104 3.164 62 HB3 TYR 13 2HB TYR 13 6.797 0.660 4.704 63 HD1 TYR 13 HD2 TYR 13 9.928 1.473 2.980 64 HD2 TYR 13 HD1 TYR 13 8.140 0.482 6.711 65 HE1 TYR 13 HE2 TYR 13 11.975 2.186 4.143 66 HE2 TYR 13 HE1 TYR 13 10.181 1.193 7.885 67 HH TYR 13 HH TYR 13 12.243 1.981 7.681 68 H GLU 14 H GLU 14 6.121 -2.989 3.865 69 HA GLU 14 HA GLU 14 4.340 -2.126 1.681 70 HB2 GLU 14 1HB GLU 14 5.486 -4.779 2.372 71 HB3 GLU 14 2HB GLU 14 3.831 -4.753 1.780 72 HG2 GLU 14 1HG GLU 14 4.435 -4.096 -0.310 73 HG3 GLU 14 2HG GLU 14 5.861 -3.227 0.254 74 H CYS 15 H CYS 15 2.147 -2.214 1.993 75 HA CYS 15 HA CYS 15 1.226 -2.094 4.689 76 HB2 CYS 15 1HB CYS 15 0.293 -0.758 2.771 77 HB3 CYS 15 2HB CYS 15 -0.454 -2.239 2.181 78 H HIS 16 H HIS 16 0.579 -3.706 5.945 79 HA HIS 16 HA HIS 16 0.301 -6.371 4.853 80 HB2 HIS 16 1HB HIS 16 0.198 -7.111 7.156 81 HB3 HIS 16 2HB HIS 16 1.512 -5.951 6.984 82 HD1 HIS 16 HD1 HIS 16 0.081 -6.588 9.703 83 HD2 HIS 16 HD2 HIS 16 -0.759 -3.352 7.236 84 HE1 HIS 16 HE1 HIS 16 -0.960 -4.855 11.199 85 H GLU 17 H GLU 17 -1.701 -4.336 4.168 86 HA GLU 17 HA GLU 17 -4.080 -5.701 5.243 87 HB2 GLU 17 1HB GLU 17 -3.846 -2.785 4.480 88 HB3 GLU 17 2HB GLU 17 -5.311 -3.584 5.031 89 HG2 GLU 17 1HG GLU 17 -3.971 -4.151 7.142 90 HG3 GLU 17 2HG GLU 17 -2.838 -2.922 6.581 91 H CYS 18 H CYS 18 -2.943 -3.683 2.534 92 HA CYS 18 HA CYS 18 -4.786 -5.145 0.768 93 HB2 CYS 18 1HB CYS 18 -4.497 -3.247 -0.795 94 HB3 CYS 18 2HB CYS 18 -5.141 -2.739 0.763 95 H GLY 19 H GLY 19 -1.471 -3.855 0.909 96 HA2 GLY 19 1HA GLY 19 0.249 -5.592 0.309 97 HA3 GLY 19 2HA GLY 19 -0.720 -5.854 -1.133 98 H LYS 20 H LYS 20 -0.173 -2.682 0.236 99 HA LYS 20 HA LYS 20 1.001 -1.804 -2.257 100 HB2 LYS 20 1HB LYS 20 -0.680 -0.564 -0.613 101 HB3 LYS 20 2HB LYS 20 0.821 -0.013 0.120 102 HG2 LYS 20 1HG LYS 20 1.377 1.289 -1.656 103 HG3 LYS 20 2HG LYS 20 0.562 0.242 -2.821 104 HD2 LYS 20 1HD LYS 20 -1.579 1.083 -1.486 105 HD3 LYS 20 2HD LYS 20 -0.519 2.458 -1.166 106 HE2 LYS 20 1HE LYS 20 -1.879 2.824 -3.163 107 HE3 LYS 20 2HE LYS 20 -0.162 2.754 -3.558 108 HZ1 LYS 20 3HZ LYS 20 -1.074 0.168 -3.777 109 HZ2 LYS 20 1HZ LYS 20 -0.690 1.218 -5.047 110 HZ3 LYS 20 2HZ LYS 20 -2.283 1.112 -4.491 111 H ALA 21 H ALA 21 2.857 -0.070 -1.892 112 HA ALA 21 HA ALA 21 4.828 -1.027 0.038 113 HB1 ALA 21 3HB ALA 21 6.050 -0.633 -2.571 114 HB2 ALA 21 1HB ALA 21 6.244 -1.952 -1.415 115 HB3 ALA 21 2HB ALA 21 4.893 -1.964 -2.551 116 H PHE 22 H PHE 22 6.456 0.472 0.526 117 HA PHE 22 HA PHE 22 6.389 3.065 -0.801 118 HB2 PHE 22 1HB PHE 22 6.095 2.879 2.198 119 HB3 PHE 22 2HB PHE 22 6.008 4.325 1.198 120 HD1 PHE 22 HD2 PHE 22 4.303 1.072 1.776 121 HD2 PHE 22 HD1 PHE 22 3.955 5.112 0.483 122 HE1 PHE 22 HE2 PHE 22 1.863 0.805 1.611 123 HE2 PHE 22 HE1 PHE 22 1.514 4.852 0.317 124 HZ PHE 22 HZ PHE 22 0.465 2.696 0.880 125 H SER 23 H SER 23 8.275 4.268 -0.568 126 HA SER 23 HA SER 23 10.645 2.799 -0.166 127 HB2 SER 23 1HB SER 23 10.164 5.777 -0.387 128 HB3 SER 23 2HB SER 23 11.769 5.046 -0.343 129 HG SER 23 HG SER 23 11.309 3.982 -2.254 130 H ARG 24 H ARG 24 9.132 5.357 1.792 131 HA ARG 24 HA ARG 24 10.911 4.635 4.014 132 HB2 ARG 24 1HB ARG 24 9.101 7.024 4.040 133 HB3 ARG 24 2HB ARG 24 10.630 6.780 4.874 134 HG2 ARG 24 1HG ARG 24 11.547 6.695 2.392 135 HG3 ARG 24 2HG ARG 24 10.100 7.661 2.095 136 HD2 ARG 24 1HD ARG 24 11.837 9.201 2.532 137 HD3 ARG 24 2HD ARG 24 10.854 9.144 3.995 138 HE ARG 24 HE ARG 24 12.970 7.294 4.199 139 HH11 ARG 24 1HH1 ARG 24 12.353 10.720 4.226 140 HH12 ARG 24 2HH1 ARG 24 13.716 11.090 5.230 141 HH21 ARG 24 1HH2 ARG 24 14.768 7.768 5.520 142 HH22 ARG 24 2HH2 ARG 24 15.089 9.410 5.964 143 H LYS 25 H LYS 25 9.910 4.754 6.218 144 HA LYS 25 HA LYS 25 7.759 2.938 6.398 145 HB2 LYS 25 1HB LYS 25 9.371 3.013 8.168 146 HB3 LYS 25 2HB LYS 25 9.067 4.722 8.452 147 HG2 LYS 25 1HG LYS 25 7.871 3.837 10.166 148 HG3 LYS 25 2HG LYS 25 6.620 3.844 8.921 149 HD2 LYS 25 1HD LYS 25 8.363 1.447 9.121 150 HD3 LYS 25 2HD LYS 25 7.150 1.689 10.380 151 HE2 LYS 25 1HE LYS 25 5.385 1.716 8.769 152 HE3 LYS 25 2HE LYS 25 6.533 1.748 7.431 153 HZ1 LYS 25 3HZ LYS 25 5.564 -0.487 8.962 154 HZ2 LYS 25 1HZ LYS 25 7.245 -0.481 8.776 155 HZ3 LYS 25 2HZ LYS 25 6.244 -0.450 7.414 156 H TYR 26 H TYR 26 7.931 6.406 7.207 157 HA TYR 26 HA TYR 26 5.297 6.801 7.937 158 HB2 TYR 26 1HB TYR 26 5.762 9.042 7.871 159 HB3 TYR 26 2HB TYR 26 7.408 8.421 7.801 160 HD1 TYR 26 HD1 TYR 26 8.592 8.330 5.603 161 HD2 TYR 26 HD2 TYR 26 4.831 10.266 6.062 162 HE1 TYR 26 HE1 TYR 26 8.960 9.533 3.489 163 HE2 TYR 26 HE2 TYR 26 5.188 11.474 3.949 164 HH TYR 26 HH TYR 26 8.220 11.174 2.152 165 H GLN 27 H GLN 27 6.726 6.825 4.702 166 HA GLN 27 HA GLN 27 4.579 7.736 3.221 167 HB2 GLN 27 1HB GLN 27 6.680 5.679 2.547 168 HB3 GLN 27 2HB GLN 27 5.521 6.282 1.370 169 HG2 GLN 27 1HG GLN 27 6.409 8.616 2.099 170 HG3 GLN 27 2HG GLN 27 7.793 7.694 2.685 171 HE21 GLN 27 1HE2 GLN 27 8.595 9.318 0.933 172 HE22 GLN 27 2HE2 GLN 27 8.772 8.642 -0.647 173 H LEU 28 H LEU 28 4.992 4.703 4.835 174 HA LEU 28 HA LEU 28 2.801 3.436 3.411 175 HB2 LEU 28 1HB LEU 28 4.408 1.869 3.903 176 HB3 LEU 28 2HB LEU 28 4.781 2.589 5.468 177 HG LEU 28 HG LEU 28 2.789 1.628 6.434 178 HD11 LEU 28 1HD1 LEU 28 1.062 1.452 5.009 179 HD12 LEU 28 2HD1 LEU 28 1.718 -0.157 4.709 180 HD13 LEU 28 3HD1 LEU 28 2.103 1.170 3.614 181 HD21 LEU 28 3HD2 LEU 28 3.903 -0.256 6.805 182 HD22 LEU 28 1HD2 LEU 28 4.993 0.182 5.490 183 HD23 LEU 28 2HD2 LEU 28 3.582 -0.826 5.167 184 H ILE 29 H ILE 29 3.500 4.669 6.656 185 HA ILE 29 HA ILE 29 1.160 3.928 7.945 186 HB ILE 29 HB ILE 29 3.009 6.260 8.320 187 HG12 ILE 29 1HG1 ILE 29 3.349 5.065 10.524 188 HG13 ILE 29 2HG1 ILE 29 2.335 3.771 9.895 189 HG21 ILE 29 1HG2 ILE 29 1.518 6.302 10.587 190 HG22 ILE 29 2HG2 ILE 29 1.300 7.399 9.225 191 HG23 ILE 29 3HG2 ILE 29 0.287 5.963 9.371 192 HD11 ILE 29 3HD1 ILE 29 4.857 4.713 8.559 193 HD12 ILE 29 1HD1 ILE 29 4.787 3.377 9.709 194 HD13 ILE 29 2HD1 ILE 29 3.908 3.275 8.183 195 H SER 30 H SER 30 1.825 6.861 6.056 196 HA SER 30 HA SER 30 -0.583 8.184 6.456 197 HB2 SER 30 1HB SER 30 1.590 8.897 5.172 198 HB3 SER 30 2HB SER 30 0.741 8.254 3.766 199 HG SER 30 HG SER 30 0.110 10.457 5.382 200 H HIS 31 H HIS 31 0.209 5.540 4.296 201 HA HIS 31 HA HIS 31 -2.211 5.662 2.786 202 HB2 HIS 31 1HB HIS 31 -0.364 4.602 1.735 203 HB3 HIS 31 2HB HIS 31 -0.088 3.546 3.118 204 HD1 HIS 31 HD1 HIS 31 -2.375 4.001 0.171 205 HD2 HIS 31 HD2 HIS 31 -1.584 1.214 3.148 206 HE1 HIS 31 HE1 HIS 31 -3.641 1.932 -0.492 207 H GLN 32 H GLN 32 -1.074 3.589 5.442 208 HA GLN 32 HA GLN 32 -3.201 1.882 5.702 209 HB2 GLN 32 1HB GLN 32 -1.685 3.171 7.978 210 HB3 GLN 32 2HB GLN 32 -2.609 1.677 8.067 211 HG2 GLN 32 1HG GLN 32 -1.035 0.815 6.245 212 HG3 GLN 32 2HG GLN 32 -0.020 2.196 6.656 213 HE21 GLN 32 1HE2 GLN 32 -0.586 -0.988 7.269 214 HE22 GLN 32 2HE2 GLN 32 0.180 -1.124 8.811 215 H ARG 33 H ARG 33 -2.999 5.246 6.659 216 HA ARG 33 HA ARG 33 -5.052 5.588 8.398 217 HB2 ARG 33 1HB ARG 33 -4.593 7.357 5.991 218 HB3 ARG 33 2HB ARG 33 -5.351 7.822 7.508 219 HG2 ARG 33 1HG ARG 33 -2.473 7.021 7.128 220 HG3 ARG 33 2HG ARG 33 -3.083 8.656 7.394 221 HD2 ARG 33 1HD ARG 33 -4.146 7.514 9.533 222 HD3 ARG 33 2HD ARG 33 -2.808 6.389 9.298 223 HE ARG 33 HE ARG 33 -2.062 9.178 9.280 224 HH11 ARG 33 1HH1 ARG 33 -2.525 6.313 11.203 225 HH12 ARG 33 2HH1 ARG 33 -1.476 6.841 12.477 226 HH21 ARG 33 1HH2 ARG 33 -0.679 9.884 10.950 227 HH22 ARG 33 2HH2 ARG 33 -0.428 8.873 12.333 228 H THR 34 H THR 34 -5.321 5.024 4.931 229 HA THR 34 HA THR 34 -8.060 5.518 4.629 230 HB THR 34 HB THR 34 -7.957 4.282 2.581 231 HG1 THR 34 HG1 THR 34 -6.949 2.401 2.993 232 HG21 THR 34 3HG2 THR 34 -5.486 5.062 1.845 233 HG22 THR 34 1HG2 THR 34 -5.673 6.004 3.323 234 HG23 THR 34 2HG2 THR 34 -6.844 6.173 2.015 235 H HIS 35 H HIS 35 -6.324 2.593 5.589 236 HA HIS 35 HA HIS 35 -8.647 0.934 5.648 237 HB2 HIS 35 1HB HIS 35 -5.878 0.619 6.808 238 HB3 HIS 35 2HB HIS 35 -7.129 -0.610 6.973 239 HD1 HIS 35 HD1 HIS 35 -8.133 -1.429 4.528 240 HD2 HIS 35 HD2 HIS 35 -4.359 0.306 4.594 241 HE1 HIS 35 HE1 HIS 35 -7.034 -2.128 2.377 242 H ALA 36 H ALA 36 -6.816 2.731 8.085 243 HA ALA 36 HA ALA 36 -8.006 1.848 10.401 244 HB1 ALA 36 3HB ALA 36 -6.496 3.330 11.096 245 HB2 ALA 36 1HB ALA 36 -6.548 4.213 9.570 246 HB3 ALA 36 2HB ALA 36 -7.728 4.564 10.833 247 H GLY 37 H GLY 37 -9.884 2.225 11.491 248 HA2 GLY 37 1HA GLY 37 -11.719 4.296 10.748 249 HA3 GLY 37 2HA GLY 37 -12.236 2.719 10.169 250 H GLU 38 H GLU 38 -14.086 3.364 11.628 251 HA GLU 38 HA GLU 38 -13.756 1.978 14.144 252 HB2 GLU 38 1HB GLU 38 -14.520 4.897 14.037 253 HB3 GLU 38 2HB GLU 38 -14.809 3.870 15.434 254 HG2 GLU 38 1HG GLU 38 -12.337 3.406 15.464 255 HG3 GLU 38 2HG GLU 38 -12.168 4.683 14.261 256 H LYS 39 H LYS 39 -15.955 2.017 15.361 257 HA LYS 39 HA LYS 39 -17.920 1.034 13.526 258 HB2 LYS 39 1HB LYS 39 -17.950 1.450 16.516 259 HB3 LYS 39 2HB LYS 39 -19.301 0.761 15.625 260 HG2 LYS 39 1HG LYS 39 -18.146 -1.085 16.450 261 HG3 LYS 39 2HG LYS 39 -17.625 -0.965 14.767 262 HD2 LYS 39 1HD LYS 39 -15.524 -0.141 15.350 263 HD3 LYS 39 2HD LYS 39 -16.060 0.358 16.956 264 HE2 LYS 39 1HE LYS 39 -16.125 -2.534 16.218 265 HE3 LYS 39 2HE LYS 39 -14.587 -1.786 16.646 266 HZ1 LYS 39 3HZ LYS 39 -16.360 -0.966 18.579 267 HZ2 LYS 39 1HZ LYS 39 -15.145 -2.130 18.749 268 HZ3 LYS 39 2HZ LYS 39 -16.717 -2.602 18.340 269 HA PRO 40 HA PRO 40 -20.269 4.686 12.836 270 HB2 PRO 40 1HB PRO 40 -22.708 3.590 12.372 271 HB3 PRO 40 2HB PRO 40 -21.378 3.498 11.212 272 HG2 PRO 40 1HG PRO 40 -22.324 1.446 13.176 273 HG3 PRO 40 2HG PRO 40 -21.835 1.234 11.485 274 HD2 PRO 40 1HD PRO 40 -20.195 0.653 13.559 275 HD3 PRO 40 2HD PRO 40 -19.589 1.249 12.001 276 H SER 41 H SER 41 -20.543 2.837 15.573 277 HA SER 41 HA SER 41 -22.362 4.787 16.798 278 HB2 SER 41 1HB SER 41 -23.362 2.401 16.216 279 HB3 SER 41 2HB SER 41 -22.534 1.945 17.705 280 HG SER 41 HG SER 41 -24.848 3.261 17.407 281 H GLY 42 H GLY 42 -21.620 5.598 18.661 282 HA2 GLY 42 1HA GLY 42 -20.299 4.294 20.698 283 HA3 GLY 42 2HA GLY 42 -19.034 4.848 19.610 284 HA PRO 43 HA PRO 43 -20.191 8.209 22.679 285 HB2 PRO 43 1HB PRO 43 -17.725 8.451 23.790 286 HB3 PRO 43 2HB PRO 43 -18.945 7.324 24.395 287 HG2 PRO 43 1HG PRO 43 -16.606 6.801 22.601 288 HG3 PRO 43 2HG PRO 43 -17.200 5.846 23.972 289 HD2 PRO 43 1HD PRO 43 -17.732 5.190 21.399 290 HD3 PRO 43 2HD PRO 43 -18.868 4.860 22.722 291 H SER 44 H SER 44 -18.458 7.777 19.926 292 HA SER 44 HA SER 44 -16.609 9.620 19.476 293 HB2 SER 44 1HB SER 44 -17.897 8.230 17.749 294 HB3 SER 44 2HB SER 44 -19.021 9.587 17.664 295 HG SER 44 HG SER 44 -17.222 9.578 16.112 296 H SER 45 H SER 45 -16.288 11.694 19.903 297 HA SER 45 HA SER 45 -18.234 13.346 21.075 298 HB2 SER 45 1HB SER 45 -15.960 13.823 21.571 299 HB3 SER 45 2HB SER 45 -15.533 13.933 19.863 300 HG SER 45 HG SER 45 -16.360 15.871 21.497 301 H GLY 46 H GLY 46 -20.056 13.494 19.778 302 HA2 GLY 46 1HA GLY 46 -20.441 15.621 18.154 303 HA3 GLY 46 2HA GLY 46 -19.845 14.399 17.040 Start of MODEL 19 1 H1 GLY 1 H GLY 1 2.389 -14.772 -11.518 2 HA2 GLY 1 1HA GLY 1 3.880 -13.540 -13.251 3 HA3 GLY 1 2HA GLY 1 2.959 -14.927 -13.813 4 H SER 2 H SER 2 0.417 -13.954 -13.956 5 HA SER 2 HA SER 2 0.316 -12.722 -16.422 6 HB2 SER 2 1HB SER 2 -1.550 -13.843 -14.909 7 HB3 SER 2 2HB SER 2 -1.888 -12.165 -14.482 8 HG SER 2 HG SER 2 -1.901 -13.323 -17.070 9 H SER 3 H SER 3 -0.176 -11.175 -13.248 10 HA SER 3 HA SER 3 -0.449 -8.557 -14.204 11 HB2 SER 3 1HB SER 3 0.198 -7.893 -11.858 12 HB3 SER 3 2HB SER 3 -1.121 -9.059 -11.955 13 HG SER 3 HG SER 3 0.426 -9.665 -10.390 14 H GLY 4 H GLY 4 0.961 -7.047 -14.862 15 HA2 GLY 4 1HA GLY 4 3.838 -7.602 -14.482 16 HA3 GLY 4 2HA GLY 4 3.196 -7.044 -16.019 17 H SER 5 H SER 5 2.785 -6.047 -12.619 18 HA SER 5 HA SER 5 3.474 -3.307 -13.461 19 HB2 SER 5 1HB SER 5 1.045 -3.727 -12.802 20 HB3 SER 5 2HB SER 5 1.638 -3.982 -11.161 21 HG SER 5 HG SER 5 1.188 -1.860 -11.218 22 H SER 6 H SER 6 3.526 -5.630 -10.786 23 HA SER 6 HA SER 6 4.791 -4.407 -8.783 24 HB2 SER 6 1HB SER 6 5.630 -7.079 -9.934 25 HB3 SER 6 2HB SER 6 6.022 -6.505 -8.313 26 HG SER 6 HG SER 6 3.768 -7.680 -9.200 27 H GLY 7 H GLY 7 6.562 -5.729 -11.586 28 HA2 GLY 7 1HA GLY 7 8.745 -5.355 -12.263 29 HA3 GLY 7 2HA GLY 7 8.218 -3.681 -12.173 30 H THR 8 H THR 8 9.110 -2.364 -10.687 31 HA THR 8 HA THR 8 11.467 -3.148 -9.362 32 HB THR 8 HB THR 8 10.992 -0.815 -10.061 33 HG1 THR 8 HG1 THR 8 11.399 -0.848 -7.258 34 HG21 THR 8 3HG2 THR 8 9.642 0.282 -7.922 35 HG22 THR 8 1HG2 THR 8 8.738 -1.195 -8.251 36 HG23 THR 8 2HG2 THR 8 8.973 -0.002 -9.529 37 H GLY 9 H GLY 9 11.927 -3.344 -7.135 38 HA2 GLY 9 1HA GLY 9 9.611 -3.689 -5.355 39 HA3 GLY 9 2HA GLY 9 10.753 -5.013 -5.535 40 H GLU 10 H GLU 10 11.524 -1.569 -5.428 41 HA GLU 10 HA GLU 10 13.324 -2.090 -3.197 42 HB2 GLU 10 1HB GLU 10 13.973 -0.765 -5.279 43 HB3 GLU 10 2HB GLU 10 12.959 0.526 -4.649 44 HG2 GLU 10 1HG GLU 10 14.983 1.174 -3.842 45 HG3 GLU 10 2HG GLU 10 14.418 0.187 -2.495 46 H ASN 11 H ASN 11 10.812 -2.363 -2.304 47 HA ASN 11 HA ASN 11 10.395 0.082 -0.719 48 HB2 ASN 11 1HB ASN 11 8.192 -1.746 -1.698 49 HB3 ASN 11 2HB ASN 11 7.997 -0.243 -0.801 50 HD21 ASN 11 1HD2 ASN 11 7.635 1.527 -1.929 51 HD22 ASN 11 2HD2 ASN 11 7.928 1.728 -3.620 52 HA PRO 12 HA PRO 12 11.203 -3.259 2.269 53 HB2 PRO 12 1HB PRO 12 12.125 -1.585 4.197 54 HB3 PRO 12 2HB PRO 12 13.136 -2.173 2.872 55 HG2 PRO 12 1HG PRO 12 11.726 0.452 3.159 56 HG3 PRO 12 2HG PRO 12 13.366 0.122 2.571 57 HD2 PRO 12 1HD PRO 12 11.289 0.604 0.902 58 HD3 PRO 12 2HD PRO 12 12.627 -0.481 0.473 59 H TYR 13 H TYR 13 9.003 -0.731 2.093 60 HA TYR 13 HA TYR 13 7.667 -1.630 4.561 61 HB2 TYR 13 1HB TYR 13 7.456 1.131 3.352 62 HB3 TYR 13 2HB TYR 13 6.789 0.591 4.888 63 HD1 TYR 13 HD1 TYR 13 8.310 0.115 6.794 64 HD2 TYR 13 HD2 TYR 13 9.731 1.821 3.164 65 HE1 TYR 13 HE1 TYR 13 10.365 0.829 7.941 66 HE2 TYR 13 HE2 TYR 13 11.791 2.538 4.301 67 HH TYR 13 HH TYR 13 12.147 2.380 7.731 68 H GLU 14 H GLU 14 6.072 -2.936 3.929 69 HA GLU 14 HA GLU 14 4.345 -2.036 1.716 70 HB2 GLU 14 1HB GLU 14 5.465 -4.710 2.371 71 HB3 GLU 14 2HB GLU 14 3.821 -4.660 1.749 72 HG2 GLU 14 1HG GLU 14 4.469 -3.939 -0.313 73 HG3 GLU 14 2HG GLU 14 5.909 -3.128 0.300 74 H CYS 15 H CYS 15 2.139 -2.163 1.981 75 HA CYS 15 HA CYS 15 1.174 -2.052 4.661 76 HB2 CYS 15 1HB CYS 15 0.216 -0.699 2.823 77 HB3 CYS 15 2HB CYS 15 -0.386 -2.173 2.072 78 H HIS 16 H HIS 16 0.494 -3.655 5.912 79 HA HIS 16 HA HIS 16 0.276 -6.333 4.825 80 HB2 HIS 16 1HB HIS 16 0.017 -7.009 7.199 81 HB3 HIS 16 2HB HIS 16 1.473 -6.060 6.916 82 HD1 HIS 16 HD1 HIS 16 1.859 -4.433 8.721 83 HD2 HIS 16 HD2 HIS 16 -2.196 -5.060 8.069 84 HE1 HIS 16 HE1 HIS 16 0.676 -2.968 10.388 85 H GLU 17 H GLU 17 -1.746 -4.252 4.192 86 HA GLU 17 HA GLU 17 -4.118 -5.670 5.217 87 HB2 GLU 17 1HB GLU 17 -3.946 -2.750 4.452 88 HB3 GLU 17 2HB GLU 17 -5.368 -3.581 5.067 89 HG2 GLU 17 1HG GLU 17 -3.965 -4.086 7.135 90 HG3 GLU 17 2HG GLU 17 -2.843 -2.875 6.518 91 H CYS 18 H CYS 18 -2.870 -3.722 2.517 92 HA CYS 18 HA CYS 18 -4.730 -5.146 0.731 93 HB2 CYS 18 1HB CYS 18 -4.528 -3.254 -0.797 94 HB3 CYS 18 2HB CYS 18 -5.040 -2.700 0.794 95 H GLY 19 H GLY 19 -1.415 -3.885 0.967 96 HA2 GLY 19 1HA GLY 19 0.312 -5.599 0.362 97 HA3 GLY 19 2HA GLY 19 -0.633 -5.849 -1.098 98 H LYS 20 H LYS 20 -0.307 -2.643 0.159 99 HA LYS 20 HA LYS 20 0.947 -1.750 -2.256 100 HB2 LYS 20 1HB LYS 20 -0.723 -0.534 -0.589 101 HB3 LYS 20 2HB LYS 20 0.779 0.001 0.153 102 HG2 LYS 20 1HG LYS 20 1.330 1.341 -1.592 103 HG3 LYS 20 2HG LYS 20 0.532 0.310 -2.782 104 HD2 LYS 20 1HD LYS 20 -1.624 1.116 -1.441 105 HD3 LYS 20 2HD LYS 20 -0.574 2.495 -1.104 106 HE2 LYS 20 1HE LYS 20 -1.863 2.954 -3.083 107 HE3 LYS 20 2HE LYS 20 -0.174 2.727 -3.537 108 HZ1 LYS 20 3HZ LYS 20 -1.141 1.409 -5.081 109 HZ2 LYS 20 1HZ LYS 20 -2.497 1.066 -4.130 110 HZ3 LYS 20 2HZ LYS 20 -1.038 0.261 -3.843 111 H ALA 21 H ALA 21 2.835 -0.102 -1.978 112 HA ALA 21 HA ALA 21 4.811 -1.047 -0.038 113 HB1 ALA 21 3HB ALA 21 6.335 -0.761 -2.315 114 HB2 ALA 21 1HB ALA 21 5.831 -2.286 -1.586 115 HB3 ALA 21 2HB ALA 21 4.885 -1.578 -2.896 116 H PHE 22 H PHE 22 6.402 0.453 0.486 117 HA PHE 22 HA PHE 22 6.338 3.051 -0.850 118 HB2 PHE 22 1HB PHE 22 6.112 2.826 2.154 119 HB3 PHE 22 2HB PHE 22 6.030 4.291 1.182 120 HD1 PHE 22 HD2 PHE 22 4.283 1.059 1.750 121 HD2 PHE 22 HD1 PHE 22 3.977 5.117 0.504 122 HE1 PHE 22 HE2 PHE 22 1.837 0.833 1.626 123 HE2 PHE 22 HE1 PHE 22 1.530 4.898 0.380 124 HZ PHE 22 HZ PHE 22 0.456 2.753 0.940 125 H SER 23 H SER 23 8.204 4.334 -0.497 126 HA SER 23 HA SER 23 10.598 2.833 -0.232 127 HB2 SER 23 1HB SER 23 10.064 5.087 -1.524 128 HB3 SER 23 2HB SER 23 10.634 5.814 -0.022 129 HG SER 23 HG SER 23 12.238 5.329 -1.753 130 H ARG 24 H ARG 24 9.086 5.319 1.813 131 HA ARG 24 HA ARG 24 10.913 4.556 3.986 132 HB2 ARG 24 1HB ARG 24 9.140 6.974 4.065 133 HB3 ARG 24 2HB ARG 24 10.664 6.691 4.895 134 HG2 ARG 24 1HG ARG 24 11.570 6.624 2.402 135 HG3 ARG 24 2HG ARG 24 10.149 7.636 2.138 136 HD2 ARG 24 1HD ARG 24 11.933 9.116 2.597 137 HD3 ARG 24 2HD ARG 24 10.957 9.055 4.064 138 HE ARG 24 HE ARG 24 12.776 8.234 5.158 139 HH11 ARG 24 1HH1 ARG 24 13.164 7.611 1.755 140 HH12 ARG 24 2HH1 ARG 24 14.758 6.953 1.924 141 HH21 ARG 24 1HH2 ARG 24 14.874 7.370 5.393 142 HH22 ARG 24 2HH2 ARG 24 15.729 6.816 3.994 143 H LYS 25 H LYS 25 9.931 4.696 6.213 144 HA LYS 25 HA LYS 25 7.772 2.887 6.406 145 HB2 LYS 25 1HB LYS 25 9.470 3.023 8.141 146 HB3 LYS 25 2HB LYS 25 9.016 4.684 8.495 147 HG2 LYS 25 1HG LYS 25 7.981 3.510 10.185 148 HG3 LYS 25 2HG LYS 25 6.684 3.686 9.001 149 HD2 LYS 25 1HD LYS 25 8.419 1.279 8.820 150 HD3 LYS 25 2HD LYS 25 7.244 1.354 10.136 151 HE2 LYS 25 1HE LYS 25 5.568 2.001 8.271 152 HE3 LYS 25 2HE LYS 25 6.777 1.332 7.177 153 HZ1 LYS 25 3HZ LYS 25 6.152 -0.716 7.701 154 HZ2 LYS 25 1HZ LYS 25 4.849 -0.061 8.557 155 HZ3 LYS 25 2HZ LYS 25 6.293 -0.420 9.360 156 H TYR 26 H TYR 26 7.977 6.361 7.174 157 HA TYR 26 HA TYR 26 5.348 6.766 7.943 158 HB2 TYR 26 1HB TYR 26 5.821 9.007 7.872 159 HB3 TYR 26 2HB TYR 26 7.462 8.374 7.811 160 HD1 TYR 26 HD1 TYR 26 8.706 8.360 5.679 161 HD2 TYR 26 HD2 TYR 26 4.859 10.150 5.999 162 HE1 TYR 26 HE1 TYR 26 9.095 9.559 3.567 163 HE2 TYR 26 HE2 TYR 26 5.237 11.353 3.888 164 HH TYR 26 HH TYR 26 6.733 10.948 1.780 165 H GLN 27 H GLN 27 6.759 6.790 4.701 166 HA GLN 27 HA GLN 27 4.616 7.723 3.231 167 HB2 GLN 27 1HB GLN 27 6.680 5.633 2.541 168 HB3 GLN 27 2HB GLN 27 5.530 6.270 1.372 169 HG2 GLN 27 1HG GLN 27 6.444 8.571 2.002 170 HG3 GLN 27 2HG GLN 27 7.770 7.692 2.761 171 HE21 GLN 27 1HE2 GLN 27 8.998 8.957 1.150 172 HE22 GLN 27 2HE2 GLN 27 9.203 8.282 -0.427 173 H LEU 28 H LEU 28 5.007 4.677 4.832 174 HA LEU 28 HA LEU 28 2.800 3.432 3.418 175 HB2 LEU 28 1HB LEU 28 4.398 1.857 3.932 176 HB3 LEU 28 2HB LEU 28 4.753 2.578 5.501 177 HG LEU 28 HG LEU 28 2.774 1.618 6.458 178 HD11 LEU 28 1HD1 LEU 28 1.013 1.484 5.081 179 HD12 LEU 28 2HD1 LEU 28 1.657 -0.106 4.675 180 HD13 LEU 28 3HD1 LEU 28 2.021 1.281 3.648 181 HD21 LEU 28 3HD2 LEU 28 4.882 0.080 5.303 182 HD22 LEU 28 1HD2 LEU 28 3.391 -0.861 5.257 183 HD23 LEU 28 2HD2 LEU 28 3.978 -0.215 6.790 184 H ILE 29 H ILE 29 3.499 4.667 6.665 185 HA ILE 29 HA ILE 29 1.153 3.965 7.954 186 HB ILE 29 HB ILE 29 3.023 6.281 8.298 187 HG12 ILE 29 1HG1 ILE 29 3.235 5.114 10.572 188 HG13 ILE 29 2HG1 ILE 29 2.310 3.799 9.855 189 HG21 ILE 29 1HG2 ILE 29 0.318 5.952 9.487 190 HG22 ILE 29 2HG2 ILE 29 1.614 6.572 10.509 191 HG23 ILE 29 3HG2 ILE 29 1.180 7.420 9.025 192 HD11 ILE 29 3HD1 ILE 29 4.798 4.816 8.548 193 HD12 ILE 29 1HD1 ILE 29 4.868 3.648 9.867 194 HD13 ILE 29 2HD1 ILE 29 4.010 3.248 8.379 195 H SER 30 H SER 30 1.835 6.949 6.136 196 HA SER 30 HA SER 30 -0.573 8.250 6.479 197 HB2 SER 30 1HB SER 30 1.410 9.220 5.342 198 HB3 SER 30 2HB SER 30 1.076 8.205 3.939 199 HG SER 30 HG SER 30 0.017 9.989 3.414 200 H HIS 31 H HIS 31 0.207 5.572 4.366 201 HA HIS 31 HA HIS 31 -2.207 5.697 2.839 202 HB2 HIS 31 1HB HIS 31 -0.348 4.623 1.811 203 HB3 HIS 31 2HB HIS 31 -0.102 3.564 3.197 204 HD1 HIS 31 HD1 HIS 31 -2.371 4.057 0.237 205 HD2 HIS 31 HD2 HIS 31 -1.606 1.242 3.196 206 HE1 HIS 31 HE1 HIS 31 -3.650 2.001 -0.444 207 H GLN 32 H GLN 32 -1.072 3.558 5.452 208 HA GLN 32 HA GLN 32 -3.214 1.896 5.738 209 HB2 GLN 32 1HB GLN 32 -1.692 3.173 8.016 210 HB3 GLN 32 2HB GLN 32 -2.618 1.680 8.097 211 HG2 GLN 32 1HG GLN 32 -1.035 0.848 6.251 212 HG3 GLN 32 2HG GLN 32 -0.016 2.207 6.721 213 HE21 GLN 32 1HE2 GLN 32 -0.423 -0.973 7.142 214 HE22 GLN 32 2HE2 GLN 32 0.239 -1.168 8.725 215 H ARG 33 H ARG 33 -3.048 5.278 6.517 216 HA ARG 33 HA ARG 33 -5.067 5.650 8.322 217 HB2 ARG 33 1HB ARG 33 -4.585 7.354 5.872 218 HB3 ARG 33 2HB ARG 33 -5.402 7.860 7.344 219 HG2 ARG 33 1HG ARG 33 -2.554 6.913 7.336 220 HG3 ARG 33 2HG ARG 33 -2.998 8.597 7.051 221 HD2 ARG 33 1HD ARG 33 -4.279 8.481 9.234 222 HD3 ARG 33 2HD ARG 33 -3.470 6.940 9.517 223 HE ARG 33 HE ARG 33 -1.411 8.600 9.012 224 HH11 ARG 33 1HH1 ARG 33 -4.144 8.817 11.158 225 HH12 ARG 33 2HH1 ARG 33 -3.308 9.773 12.336 226 HH21 ARG 33 1HH2 ARG 33 -0.300 9.858 10.556 227 HH22 ARG 33 2HH2 ARG 33 -1.121 10.365 11.992 228 H THR 34 H THR 34 -5.356 4.943 4.891 229 HA THR 34 HA THR 34 -8.112 5.438 4.612 230 HB THR 34 HB THR 34 -8.018 4.240 2.560 231 HG1 THR 34 HG1 THR 34 -6.231 2.837 2.103 232 HG21 THR 34 3HG2 THR 34 -5.488 4.938 1.861 233 HG22 THR 34 1HG2 THR 34 -5.721 5.922 3.305 234 HG23 THR 34 2HG2 THR 34 -6.840 6.066 1.950 235 H HIS 35 H HIS 35 -6.318 2.546 5.564 236 HA HIS 35 HA HIS 35 -8.587 0.830 5.647 237 HB2 HIS 35 1HB HIS 35 -5.818 0.638 6.827 238 HB3 HIS 35 2HB HIS 35 -7.031 -0.617 7.064 239 HD1 HIS 35 HD1 HIS 35 -8.010 -1.621 4.694 240 HD2 HIS 35 HD2 HIS 35 -4.328 0.300 4.593 241 HE1 HIS 35 HE1 HIS 35 -6.913 -2.382 2.563 242 H ALA 36 H ALA 36 -6.904 2.799 8.045 243 HA ALA 36 HA ALA 36 -7.897 1.987 10.417 244 HB1 ALA 36 3HB ALA 36 -6.861 4.421 9.390 245 HB2 ALA 36 1HB ALA 36 -8.249 4.801 10.410 246 HB3 ALA 36 2HB ALA 36 -6.906 3.862 11.062 247 H GLY 37 H GLY 37 -9.663 3.927 8.028 248 HA2 GLY 37 1HA GLY 37 -11.907 4.332 7.768 249 HA3 GLY 37 2HA GLY 37 -12.168 2.840 8.657 250 H GLU 38 H GLU 38 -13.803 5.164 8.810 251 HA GLU 38 HA GLU 38 -13.315 5.972 11.602 252 HB2 GLU 38 1HB GLU 38 -14.689 7.545 9.416 253 HB3 GLU 38 2HB GLU 38 -14.542 8.056 11.092 254 HG2 GLU 38 1HG GLU 38 -12.162 8.221 10.899 255 HG3 GLU 38 2HG GLU 38 -12.200 7.515 9.284 256 H LYS 39 H LYS 39 -14.649 3.613 11.025 257 HA LYS 39 HA LYS 39 -17.403 4.293 11.816 258 HB2 LYS 39 1HB LYS 39 -17.059 3.326 9.441 259 HB3 LYS 39 2HB LYS 39 -16.737 1.806 10.264 260 HG2 LYS 39 1HG LYS 39 -19.213 3.273 10.984 261 HG3 LYS 39 2HG LYS 39 -19.151 2.459 9.419 262 HD2 LYS 39 1HD LYS 39 -18.246 0.947 11.812 263 HD3 LYS 39 2HD LYS 39 -19.978 1.223 11.616 264 HE2 LYS 39 1HE LYS 39 -18.205 0.039 9.486 265 HE3 LYS 39 2HE LYS 39 -19.138 -0.920 10.633 266 HZ1 LYS 39 3HZ LYS 39 -19.999 0.107 8.214 267 HZ2 LYS 39 1HZ LYS 39 -20.796 1.009 9.402 268 HZ3 LYS 39 2HZ LYS 39 -20.934 -0.676 9.386 269 HA PRO 40 HA PRO 40 -16.247 1.908 15.388 270 HB2 PRO 40 1HB PRO 40 -18.665 2.036 16.616 271 HB3 PRO 40 2HB PRO 40 -17.526 3.388 16.594 272 HG2 PRO 40 1HG PRO 40 -19.932 2.909 14.878 273 HG3 PRO 40 2HG PRO 40 -19.388 4.410 15.648 274 HD2 PRO 40 1HD PRO 40 -18.957 3.879 13.029 275 HD3 PRO 40 2HD PRO 40 -17.827 4.836 14.008 276 H SER 41 H SER 41 -16.655 -0.150 16.240 277 HA SER 41 HA SER 41 -17.307 -2.332 16.242 278 HB2 SER 41 1HB SER 41 -19.740 -1.353 14.729 279 HB3 SER 41 2HB SER 41 -19.581 -2.895 15.571 280 HG SER 41 HG SER 41 -19.862 -0.309 16.618 281 H GLY 42 H GLY 42 -15.447 -1.709 14.402 282 HA2 GLY 42 1HA GLY 42 -16.324 -3.087 11.942 283 HA3 GLY 42 2HA GLY 42 -15.005 -1.927 12.013 284 HA PRO 43 HA PRO 43 -13.555 -6.144 13.973 285 HB2 PRO 43 1HB PRO 43 -14.914 -8.306 13.052 286 HB3 PRO 43 2HB PRO 43 -15.371 -7.440 14.524 287 HG2 PRO 43 1HG PRO 43 -16.522 -7.230 11.768 288 HG3 PRO 43 2HG PRO 43 -17.360 -7.287 13.330 289 HD2 PRO 43 1HD PRO 43 -16.942 -4.975 11.983 290 HD3 PRO 43 2HD PRO 43 -16.981 -5.054 13.757 291 H SER 44 H SER 44 -15.008 -6.390 10.727 292 HA SER 44 HA SER 44 -12.661 -7.746 9.702 293 HB2 SER 44 1HB SER 44 -15.345 -7.013 8.584 294 HB3 SER 44 2HB SER 44 -14.032 -7.438 7.487 295 HG SER 44 HG SER 44 -15.411 -9.021 9.321 296 H SER 45 H SER 45 -10.985 -6.288 9.773 297 HA SER 45 HA SER 45 -11.034 -3.601 9.112 298 HB2 SER 45 1HB SER 45 -8.615 -3.783 8.772 299 HB3 SER 45 2HB SER 45 -9.111 -4.722 10.180 300 HG SER 45 HG SER 45 -8.182 -6.337 9.229 301 H GLY 46 H GLY 46 -10.407 -6.388 6.998 302 HA2 GLY 46 1HA GLY 46 -10.922 -6.588 4.736 303 HA3 GLY 46 2HA GLY 46 -11.412 -4.900 4.726 Start of MODEL 20 1 H1 GLY 1 H GLY 1 2.794 -25.487 -14.944 2 HA2 GLY 1 1HA GLY 1 2.593 -23.307 -14.252 3 HA3 GLY 1 2HA GLY 1 1.013 -23.778 -13.644 4 H SER 2 H SER 2 4.460 -24.081 -12.791 5 HA SER 2 HA SER 2 3.703 -23.511 -10.002 6 HB2 SER 2 1HB SER 2 5.626 -24.980 -9.324 7 HB3 SER 2 2HB SER 2 4.299 -25.843 -10.101 8 HG SER 2 HG SER 2 5.810 -25.206 -12.070 9 H SER 3 H SER 3 4.161 -21.290 -10.457 10 HA SER 3 HA SER 3 7.018 -20.695 -10.257 11 HB2 SER 3 1HB SER 3 6.943 -18.984 -11.949 12 HB3 SER 3 2HB SER 3 6.315 -20.469 -12.661 13 HG SER 3 HG SER 3 5.129 -18.132 -12.554 14 H GLY 4 H GLY 4 7.434 -18.468 -9.513 15 HA2 GLY 4 1HA GLY 4 5.182 -17.454 -7.888 16 HA3 GLY 4 2HA GLY 4 6.837 -17.507 -7.298 17 H SER 5 H SER 5 5.928 -15.155 -6.979 18 HA SER 5 HA SER 5 6.719 -13.577 -9.340 19 HB2 SER 5 1HB SER 5 5.256 -11.793 -8.526 20 HB3 SER 5 2HB SER 5 4.341 -13.287 -8.723 21 HG SER 5 HG SER 5 3.794 -12.458 -6.750 22 H SER 6 H SER 6 8.286 -12.072 -9.123 23 HA SER 6 HA SER 6 9.614 -11.922 -6.510 24 HB2 SER 6 1HB SER 6 11.043 -12.691 -8.322 25 HB3 SER 6 2HB SER 6 10.634 -11.272 -9.286 26 HG SER 6 HG SER 6 12.302 -10.411 -8.350 27 H GLY 7 H GLY 7 9.943 -10.017 -5.461 28 HA2 GLY 7 1HA GLY 7 8.199 -7.897 -5.798 29 HA3 GLY 7 2HA GLY 7 9.720 -7.795 -4.923 30 H THR 8 H THR 8 8.594 -5.670 -6.387 31 HA THR 8 HA THR 8 10.627 -5.360 -8.495 32 HB THR 8 HB THR 8 8.477 -5.639 -9.594 33 HG1 THR 8 HG1 THR 8 8.390 -3.279 -10.410 34 HG21 THR 8 3HG2 THR 8 7.482 -3.179 -8.180 35 HG22 THR 8 1HG2 THR 8 7.174 -4.799 -7.560 36 HG23 THR 8 2HG2 THR 8 6.569 -4.334 -9.150 37 H GLY 9 H GLY 9 12.041 -3.875 -7.851 38 HA2 GLY 9 1HA GLY 9 12.623 -1.612 -7.449 39 HA3 GLY 9 2HA GLY 9 11.024 -1.348 -6.769 40 H GLU 10 H GLU 10 12.272 -0.266 -5.058 41 HA GLU 10 HA GLU 10 13.208 -2.221 -3.062 42 HB2 GLU 10 1HB GLU 10 14.281 0.568 -3.525 43 HB3 GLU 10 2HB GLU 10 14.785 -0.516 -2.236 44 HG2 GLU 10 1HG GLU 10 14.999 -1.401 -5.074 45 HG3 GLU 10 2HG GLU 10 16.203 -0.303 -4.403 46 H ASN 11 H ASN 11 11.126 -2.290 -2.137 47 HA ASN 11 HA ASN 11 10.420 0.136 -0.623 48 HB2 ASN 11 1HB ASN 11 8.548 -1.862 -1.911 49 HB3 ASN 11 2HB ASN 11 8.034 -0.602 -0.793 50 HD21 ASN 11 1HD2 ASN 11 9.201 1.606 -1.498 51 HD22 ASN 11 2HD2 ASN 11 8.887 2.031 -3.143 52 HA PRO 12 HA PRO 12 11.281 -3.146 2.449 53 HB2 PRO 12 1HB PRO 12 12.150 -1.417 4.353 54 HB3 PRO 12 2HB PRO 12 13.192 -2.029 3.063 55 HG2 PRO 12 1HG PRO 12 11.756 0.591 3.256 56 HG3 PRO 12 2HG PRO 12 13.410 0.259 2.710 57 HD2 PRO 12 1HD PRO 12 11.365 0.682 0.987 58 HD3 PRO 12 2HD PRO 12 12.720 -0.402 0.613 59 H TYR 13 H TYR 13 9.068 -0.639 2.166 60 HA TYR 13 HA TYR 13 7.694 -1.478 4.635 61 HB2 TYR 13 1HB TYR 13 7.451 1.232 3.323 62 HB3 TYR 13 2HB TYR 13 6.785 0.737 4.875 63 HD1 TYR 13 HD1 TYR 13 8.291 0.384 6.809 64 HD2 TYR 13 HD2 TYR 13 9.725 1.936 3.117 65 HE1 TYR 13 HE1 TYR 13 10.325 1.178 7.941 66 HE2 TYR 13 HE2 TYR 13 11.764 2.734 4.237 67 HH TYR 13 HH TYR 13 13.079 2.114 6.326 68 H GLU 14 H GLU 14 6.176 -2.872 3.974 69 HA GLU 14 HA GLU 14 4.470 -2.074 1.706 70 HB2 GLU 14 1HB GLU 14 5.603 -4.700 2.512 71 HB3 GLU 14 2HB GLU 14 3.973 -4.700 1.853 72 HG2 GLU 14 1HG GLU 14 4.660 -4.089 -0.227 73 HG3 GLU 14 2HG GLU 14 6.061 -3.204 0.373 74 H CYS 15 H CYS 15 2.247 -2.297 1.900 75 HA CYS 15 HA CYS 15 1.243 -2.155 4.600 76 HB2 CYS 15 1HB CYS 15 0.448 -0.702 2.685 77 HB3 CYS 15 2HB CYS 15 -0.363 -2.127 2.043 78 H HIS 16 H HIS 16 0.857 -3.947 5.714 79 HA HIS 16 HA HIS 16 0.434 -6.488 4.493 80 HB2 HIS 16 1HB HIS 16 0.085 -7.293 6.797 81 HB3 HIS 16 2HB HIS 16 1.537 -6.306 6.663 82 HD1 HIS 16 HD1 HIS 16 1.726 -5.181 8.865 83 HD2 HIS 16 HD2 HIS 16 -2.151 -5.050 7.378 84 HE1 HIS 16 HE1 HIS 16 0.435 -3.748 10.479 85 H GLU 17 H GLU 17 -1.590 -3.902 4.861 86 HA GLU 17 HA GLU 17 -4.005 -5.343 5.510 87 HB2 GLU 17 1HB GLU 17 -3.704 -2.534 4.436 88 HB3 GLU 17 2HB GLU 17 -5.137 -3.221 5.188 89 HG2 GLU 17 1HG GLU 17 -3.526 -3.602 7.211 90 HG3 GLU 17 2HG GLU 17 -2.584 -2.332 6.432 91 H CYS 18 H CYS 18 -2.677 -3.740 2.626 92 HA CYS 18 HA CYS 18 -4.564 -5.310 0.995 93 HB2 CYS 18 1HB CYS 18 -4.415 -3.529 -0.693 94 HB3 CYS 18 2HB CYS 18 -5.001 -2.906 0.846 95 H GLY 19 H GLY 19 -1.288 -3.953 1.124 96 HA2 GLY 19 1HA GLY 19 0.471 -5.666 0.597 97 HA3 GLY 19 2HA GLY 19 -0.470 -5.995 -0.850 98 H LYS 20 H LYS 20 -0.238 -2.728 0.235 99 HA LYS 20 HA LYS 20 0.999 -1.915 -2.207 100 HB2 LYS 20 1HB LYS 20 -0.692 -0.595 -0.833 101 HB3 LYS 20 2HB LYS 20 0.634 -0.217 0.258 102 HG2 LYS 20 1HG LYS 20 1.702 1.122 -1.285 103 HG3 LYS 20 2HG LYS 20 0.910 0.348 -2.659 104 HD2 LYS 20 1HD LYS 20 -0.718 1.861 -0.659 105 HD3 LYS 20 2HD LYS 20 0.174 2.734 -1.906 106 HE2 LYS 20 1HE LYS 20 -1.749 0.486 -2.478 107 HE3 LYS 20 2HE LYS 20 -2.203 2.189 -2.487 108 HZ1 LYS 20 3HZ LYS 20 -1.697 1.927 -4.666 109 HZ2 LYS 20 1HZ LYS 20 -0.575 0.690 -4.392 110 HZ3 LYS 20 2HZ LYS 20 -0.144 2.301 -4.110 111 H ALA 21 H ALA 21 2.876 -0.257 -2.043 112 HA ALA 21 HA ALA 21 4.892 -1.124 -0.101 113 HB1 ALA 21 3HB ALA 21 6.479 -0.925 -2.242 114 HB2 ALA 21 1HB ALA 21 5.727 -2.440 -1.743 115 HB3 ALA 21 2HB ALA 21 5.004 -1.480 -3.034 116 H PHE 22 H PHE 22 6.390 0.428 0.459 117 HA PHE 22 HA PHE 22 6.275 3.012 -0.911 118 HB2 PHE 22 1HB PHE 22 6.090 2.769 2.095 119 HB3 PHE 22 2HB PHE 22 5.996 4.245 1.139 120 HD1 PHE 22 HD2 PHE 22 4.268 0.991 1.651 121 HD2 PHE 22 HD1 PHE 22 3.934 5.080 0.516 122 HE1 PHE 22 HE2 PHE 22 1.821 0.757 1.541 123 HE2 PHE 22 HE1 PHE 22 1.487 4.852 0.405 124 HZ PHE 22 HZ PHE 22 0.427 2.689 0.916 125 H SER 23 H SER 23 8.083 4.420 -0.399 126 HA SER 23 HA SER 23 10.534 2.953 -0.243 127 HB2 SER 23 1HB SER 23 9.925 5.196 -1.520 128 HB3 SER 23 2HB SER 23 10.488 5.933 -0.020 129 HG SER 23 HG SER 23 11.924 4.209 -1.752 130 H ARG 24 H ARG 24 9.026 5.442 1.809 131 HA ARG 24 HA ARG 24 10.876 4.701 3.968 132 HB2 ARG 24 1HB ARG 24 9.045 7.078 4.053 133 HB3 ARG 24 2HB ARG 24 10.571 6.828 4.890 134 HG2 ARG 24 1HG ARG 24 11.536 6.802 2.448 135 HG3 ARG 24 2HG ARG 24 10.059 7.701 2.096 136 HD2 ARG 24 1HD ARG 24 10.703 9.512 3.330 137 HD3 ARG 24 2HD ARG 24 11.674 8.546 4.439 138 HE ARG 24 HE ARG 24 12.699 8.731 1.741 139 HH11 ARG 24 1HH1 ARG 24 12.716 10.052 4.962 140 HH12 ARG 24 2HH1 ARG 24 14.256 10.823 4.778 141 HH21 ARG 24 1HH2 ARG 24 14.728 9.742 1.487 142 HH22 ARG 24 2HH2 ARG 24 15.400 10.647 2.801 143 H LYS 25 H LYS 25 9.899 4.855 6.211 144 HA LYS 25 HA LYS 25 7.807 2.972 6.438 145 HB2 LYS 25 1HB LYS 25 9.501 3.189 8.166 146 HB3 LYS 25 2HB LYS 25 8.998 4.842 8.493 147 HG2 LYS 25 1HG LYS 25 7.967 3.724 10.200 148 HG3 LYS 25 2HG LYS 25 6.686 3.729 8.987 149 HD2 LYS 25 1HD LYS 25 7.119 1.479 8.387 150 HD3 LYS 25 2HD LYS 25 8.644 1.461 9.276 151 HE2 LYS 25 1HE LYS 25 5.931 1.802 10.549 152 HE3 LYS 25 2HE LYS 25 6.779 0.262 10.417 153 HZ1 LYS 25 3HZ LYS 25 7.925 0.755 12.229 154 HZ2 LYS 25 1HZ LYS 25 7.055 2.196 12.396 155 HZ3 LYS 25 2HZ LYS 25 8.508 2.181 11.531 156 H TYR 26 H TYR 26 7.891 6.464 7.138 157 HA TYR 26 HA TYR 26 5.238 6.772 7.903 158 HB2 TYR 26 1HB TYR 26 5.648 9.020 7.866 159 HB3 TYR 26 2HB TYR 26 7.311 8.452 7.768 160 HD1 TYR 26 HD1 TYR 26 8.405 8.318 5.485 161 HD2 TYR 26 HD2 TYR 26 4.721 10.339 6.154 162 HE1 TYR 26 HE1 TYR 26 8.709 9.555 3.381 163 HE2 TYR 26 HE2 TYR 26 5.014 11.580 4.051 164 HH TYR 26 HH TYR 26 6.660 10.837 1.689 165 H GLN 27 H GLN 27 6.681 6.785 4.683 166 HA GLN 27 HA GLN 27 4.552 7.677 3.169 167 HB2 GLN 27 1HB GLN 27 6.656 5.606 2.555 168 HB3 GLN 27 2HB GLN 27 5.500 6.170 1.356 169 HG2 GLN 27 1HG GLN 27 6.347 8.517 1.913 170 HG3 GLN 27 2HG GLN 27 7.692 7.698 2.706 171 HE21 GLN 27 1HE2 GLN 27 8.556 9.214 0.853 172 HE22 GLN 27 2HE2 GLN 27 8.917 8.387 -0.620 173 H LEU 28 H LEU 28 4.975 4.628 4.781 174 HA LEU 28 HA LEU 28 2.762 3.377 3.384 175 HB2 LEU 28 1HB LEU 28 4.382 1.814 3.876 176 HB3 LEU 28 2HB LEU 28 4.735 2.524 5.450 177 HG LEU 28 HG LEU 28 2.752 1.546 6.396 178 HD11 LEU 28 1HD1 LEU 28 2.070 1.095 3.561 179 HD12 LEU 28 2HD1 LEU 28 1.031 1.461 4.938 180 HD13 LEU 28 3HD1 LEU 28 1.619 -0.183 4.689 181 HD21 LEU 28 3HD2 LEU 28 3.956 -0.284 6.741 182 HD22 LEU 28 1HD2 LEU 28 4.907 0.055 5.294 183 HD23 LEU 28 2HD2 LEU 28 3.440 -0.919 5.178 184 H ILE 29 H ILE 29 3.493 4.514 6.667 185 HA ILE 29 HA ILE 29 1.158 3.818 7.954 186 HB ILE 29 HB ILE 29 3.011 6.148 8.314 187 HG12 ILE 29 1HG1 ILE 29 3.287 4.934 10.555 188 HG13 ILE 29 2HG1 ILE 29 2.370 3.620 9.826 189 HG21 ILE 29 1HG2 ILE 29 1.254 7.275 9.176 190 HG22 ILE 29 2HG2 ILE 29 0.307 5.812 9.441 191 HG23 ILE 29 3HG2 ILE 29 1.576 6.260 10.581 192 HD11 ILE 29 3HD1 ILE 29 4.851 3.363 9.755 193 HD12 ILE 29 1HD1 ILE 29 4.047 3.254 8.190 194 HD13 ILE 29 2HD1 ILE 29 4.898 4.731 8.644 195 H SER 30 H SER 30 1.817 6.829 6.172 196 HA SER 30 HA SER 30 -0.589 8.121 6.556 197 HB2 SER 30 1HB SER 30 1.575 8.838 5.255 198 HB3 SER 30 2HB SER 30 0.710 8.207 3.854 199 HG SER 30 HG SER 30 -0.693 9.916 5.541 200 H HIS 31 H HIS 31 0.192 5.523 4.325 201 HA HIS 31 HA HIS 31 -2.247 5.649 2.857 202 HB2 HIS 31 1HB HIS 31 -0.402 4.602 1.783 203 HB3 HIS 31 2HB HIS 31 -0.127 3.523 3.147 204 HD1 HIS 31 HD1 HIS 31 -2.606 4.102 0.349 205 HD2 HIS 31 HD2 HIS 31 -1.452 1.132 3.015 206 HE1 HIS 31 HE1 HIS 31 -3.839 2.034 -0.375 207 H GLN 32 H GLN 32 -1.087 3.566 5.493 208 HA GLN 32 HA GLN 32 -3.235 1.865 5.744 209 HB2 GLN 32 1HB GLN 32 -1.652 3.068 8.021 210 HB3 GLN 32 2HB GLN 32 -2.586 1.579 8.079 211 HG2 GLN 32 1HG GLN 32 -1.049 0.786 6.180 212 HG3 GLN 32 2HG GLN 32 -0.012 2.128 6.659 213 HE21 GLN 32 1HE2 GLN 32 -0.650 -1.077 7.116 214 HE22 GLN 32 2HE2 GLN 32 0.134 -1.308 8.637 215 H ARG 33 H ARG 33 -2.998 5.220 6.640 216 HA ARG 33 HA ARG 33 -5.018 5.523 8.477 217 HB2 ARG 33 1HB ARG 33 -4.487 7.392 6.162 218 HB3 ARG 33 2HB ARG 33 -5.247 7.806 7.693 219 HG2 ARG 33 1HG ARG 33 -2.410 6.843 7.405 220 HG3 ARG 33 2HG ARG 33 -2.892 8.537 7.517 221 HD2 ARG 33 1HD ARG 33 -3.834 6.647 9.614 222 HD3 ARG 33 2HD ARG 33 -2.149 7.165 9.647 223 HE ARG 33 HE ARG 33 -4.084 9.301 9.425 224 HH11 ARG 33 1HH1 ARG 33 -2.179 7.312 11.554 225 HH12 ARG 33 2HH1 ARG 33 -2.235 8.439 12.869 226 HH21 ARG 33 1HH2 ARG 33 -4.166 10.792 11.148 227 HH22 ARG 33 2HH2 ARG 33 -3.367 10.418 12.638 228 H THR 34 H THR 34 -5.283 5.112 4.991 229 HA THR 34 HA THR 34 -8.025 5.693 4.738 230 HB THR 34 HB THR 34 -7.938 4.668 2.587 231 HG1 THR 34 HG1 THR 34 -6.994 2.707 2.938 232 HG21 THR 34 3HG2 THR 34 -6.760 6.578 2.227 233 HG22 THR 34 1HG2 THR 34 -5.462 5.431 1.896 234 HG23 THR 34 2HG2 THR 34 -5.570 6.209 3.475 235 H HIS 35 H HIS 35 -6.302 2.754 5.595 236 HA HIS 35 HA HIS 35 -8.567 1.030 5.422 237 HB2 HIS 35 1HB HIS 35 -5.848 0.776 6.690 238 HB3 HIS 35 2HB HIS 35 -7.070 -0.478 6.879 239 HD1 HIS 35 HD1 HIS 35 -7.994 -1.463 4.493 240 HD2 HIS 35 HD2 HIS 35 -4.340 0.514 4.453 241 HE1 HIS 35 HE1 HIS 35 -6.868 -2.174 2.360 242 H ALA 36 H ALA 36 -6.911 2.646 8.117 243 HA ALA 36 HA ALA 36 -8.167 1.704 10.306 244 HB1 ALA 36 3HB ALA 36 -7.013 3.378 11.192 245 HB2 ALA 36 1HB ALA 36 -6.862 4.147 9.613 246 HB3 ALA 36 2HB ALA 36 -8.253 4.503 10.638 247 H GLY 37 H GLY 37 -10.052 2.221 11.513 248 HA2 GLY 37 1HA GLY 37 -12.175 3.299 11.757 249 HA3 GLY 37 2HA GLY 37 -12.194 3.577 10.022 250 H GLU 38 H GLU 38 -11.830 1.222 8.876 251 HA GLU 38 HA GLU 38 -14.296 -0.126 9.357 252 HB2 GLU 38 1HB GLU 38 -11.966 -0.851 7.572 253 HB3 GLU 38 2HB GLU 38 -13.524 -1.666 7.564 254 HG2 GLU 38 1HG GLU 38 -14.520 0.636 7.074 255 HG3 GLU 38 2HG GLU 38 -12.868 1.126 6.701 256 H LYS 39 H LYS 39 -14.423 -1.170 11.273 257 HA LYS 39 HA LYS 39 -12.575 -2.381 12.809 258 HB2 LYS 39 1HB LYS 39 -14.906 -2.295 13.461 259 HB3 LYS 39 2HB LYS 39 -15.343 -3.422 12.184 260 HG2 LYS 39 1HG LYS 39 -13.339 -4.316 14.177 261 HG3 LYS 39 2HG LYS 39 -15.021 -4.186 14.696 262 HD2 LYS 39 1HD LYS 39 -14.261 -5.638 12.181 263 HD3 LYS 39 2HD LYS 39 -14.219 -6.436 13.755 264 HE2 LYS 39 1HE LYS 39 -16.489 -6.417 13.976 265 HE3 LYS 39 2HE LYS 39 -16.677 -4.936 13.039 266 HZ1 LYS 39 3HZ LYS 39 -16.322 -7.699 12.059 267 HZ2 LYS 39 1HZ LYS 39 -15.984 -6.371 11.067 268 HZ3 LYS 39 2HZ LYS 39 -17.544 -6.592 11.682 269 HA PRO 40 HA PRO 40 -10.766 -5.491 10.194 270 HB2 PRO 40 1HB PRO 40 -9.102 -6.520 12.077 271 HB3 PRO 40 2HB PRO 40 -8.783 -4.994 11.244 272 HG2 PRO 40 1HG PRO 40 -9.953 -5.460 13.960 273 HG3 PRO 40 2HG PRO 40 -8.744 -4.266 13.452 274 HD2 PRO 40 1HD PRO 40 -11.355 -3.639 13.803 275 HD3 PRO 40 2HD PRO 40 -10.335 -2.837 12.591 276 H SER 41 H SER 41 -11.762 -6.291 13.520 277 HA SER 41 HA SER 41 -13.038 -8.012 14.320 278 HB2 SER 41 1HB SER 41 -14.265 -7.737 12.085 279 HB3 SER 41 2HB SER 41 -13.292 -9.093 11.516 280 HG SER 41 HG SER 41 -15.530 -9.242 12.822 281 H GLY 42 H GLY 42 -10.282 -8.158 14.364 282 HA2 GLY 42 1HA GLY 42 -8.763 -9.777 15.042 283 HA3 GLY 42 2HA GLY 42 -9.915 -11.015 14.565 284 HA PRO 43 HA PRO 43 -6.513 -10.041 11.261 285 HB2 PRO 43 1HB PRO 43 -4.351 -11.389 12.199 286 HB3 PRO 43 2HB PRO 43 -4.637 -9.678 12.536 287 HG2 PRO 43 1HG PRO 43 -5.185 -12.064 14.258 288 HG3 PRO 43 2HG PRO 43 -4.484 -10.498 14.707 289 HD2 PRO 43 1HD PRO 43 -7.077 -11.121 15.174 290 HD3 PRO 43 2HD PRO 43 -6.542 -9.467 14.817 291 H SER 44 H SER 44 -5.713 -11.606 9.741 292 HA SER 44 HA SER 44 -7.217 -14.082 9.830 293 HB2 SER 44 1HB SER 44 -6.414 -14.371 7.502 294 HB3 SER 44 2HB SER 44 -7.195 -12.809 7.748 295 HG SER 44 HG SER 44 -5.242 -11.816 7.704 296 H SER 45 H SER 45 -3.809 -13.124 9.475 297 HA SER 45 HA SER 45 -2.710 -15.689 9.404 298 HB2 SER 45 1HB SER 45 -1.281 -13.904 8.802 299 HB3 SER 45 2HB SER 45 -1.603 -13.032 10.300 300 HG SER 45 HG SER 45 0.060 -14.019 11.090 301 H GLY 46 H GLY 46 -2.933 -13.486 12.207 302 HA2 GLY 46 1HA GLY 46 -3.901 -14.524 14.262 303 HA3 GLY 46 2HA GLY 46 -2.831 -15.880 13.937
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