NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22207 | 2jms | 15058 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 1H THR 1 -7.096 -3.164 10.453 2 HA THR 1 HA THR 1 -7.499 -0.945 11.111 3 HB THR 1 HB THR 1 -4.731 -0.859 11.110 4 HG1 THR 1 HG1 THR 1 -6.585 1.224 11.577 5 1HG2 THR 1 1HG2 THR 1 -4.690 0.107 8.799 6 2HG2 THR 1 2HG2 THR 1 -5.694 1.454 9.378 7 3HG2 THR 1 3HG2 THR 1 -4.090 1.211 10.054 8 H ASP 2 H ASP 2 -7.802 1.103 9.341 9 HA ASP 2 HA ASP 2 -8.237 -0.123 6.648 10 1HB ASP 2 1HB ASP 2 -10.115 0.988 8.468 11 2HB ASP 2 2HB ASP 2 -9.778 2.281 7.342 12 HA PRO 3 HA PRO 3 -5.419 3.153 5.387 13 1HB PRO 3 1HB PRO 3 -6.005 3.482 2.740 14 2HB PRO 3 2HB PRO 3 -5.261 1.997 3.386 15 1HG PRO 3 1HG PRO 3 -8.174 2.500 2.745 16 2HG PRO 3 2HG PRO 3 -7.172 1.078 2.305 17 1HD PRO 3 1HD PRO 3 -8.865 1.119 4.472 18 2HD PRO 3 2HD PRO 3 -7.348 0.177 4.462 19 H GLU 4 H GLU 4 -8.752 3.579 5.518 20 HA GLU 4 HA GLU 4 -9.143 6.067 4.270 21 1HB GLU 4 1HB GLU 4 -10.916 4.467 5.031 22 2HB GLU 4 2HB GLU 4 -10.454 4.744 6.723 23 1HG GLU 4 1HG GLU 4 -11.274 7.043 6.619 24 2HG GLU 4 2HG GLU 4 -11.509 6.935 4.867 25 H GLU 5 H GLU 5 -8.426 5.315 7.722 26 HA GLU 5 HA GLU 5 -8.168 8.203 8.335 27 1HB GLU 5 1HB GLU 5 -8.476 5.821 10.183 28 2HB GLU 5 2HB GLU 5 -8.322 7.510 10.685 29 1HG GLU 5 1HG GLU 5 -10.380 7.979 9.190 30 2HG GLU 5 2HG GLU 5 -10.628 6.226 9.210 31 H HIS 6 H HIS 6 -6.126 6.349 6.944 32 HA HIS 6 HA HIS 6 -3.779 7.061 8.610 33 1HB HIS 6 1HB HIS 6 -4.445 4.311 7.488 34 2HB HIS 6 2HB HIS 6 -2.850 4.810 8.024 35 HD1 HIS 6 HD1 HIS 6 -2.495 5.007 10.758 36 HD2 HIS 6 HD2 HIS 6 -6.366 4.143 9.304 37 HE1 HIS 6 HE1 HIS 6 -3.869 4.314 12.783 38 H PHE 7 H PHE 7 -3.044 8.612 7.197 39 HA PHE 7 HA PHE 7 -1.804 7.441 4.795 40 1HB PHE 7 1HB PHE 7 -3.860 9.281 4.579 41 2HB PHE 7 2HB PHE 7 -2.472 10.343 4.676 42 HD1 PHE 7 HD1 PHE 7 -0.423 8.932 2.999 43 HD2 PHE 7 HD2 PHE 7 -4.679 9.364 2.449 44 HE1 PHE 7 HE1 PHE 7 -0.114 8.843 0.555 45 HE2 PHE 7 HE2 PHE 7 -4.356 9.249 0.002 46 HZ PHE 7 HZ PHE 7 -2.072 8.921 -0.948 47 H ASP 8 H ASP 8 0.458 8.080 4.852 48 HA ASP 8 HA ASP 8 1.197 10.487 6.060 49 1HB ASP 8 1HB ASP 8 1.272 8.435 8.033 50 2HB ASP 8 2HB ASP 8 2.926 8.676 7.578 51 HA PRO 9 HA PRO 9 3.504 8.615 2.582 52 1HB PRO 9 1HB PRO 9 3.508 10.893 0.957 53 2HB PRO 9 2HB PRO 9 2.309 9.593 0.933 54 1HG PRO 9 1HG PRO 9 2.076 12.350 1.990 55 2HG PRO 9 2HG PRO 9 0.778 11.212 1.539 56 1HD PRO 9 1HD PRO 9 1.728 11.846 4.167 57 2HD PRO 9 2HD PRO 9 0.508 10.642 3.741 58 H ASN 10 H ASN 10 5.698 8.491 2.908 59 HA ASN 10 HA ASN 10 7.174 10.871 3.789 60 1HB ASN 10 1HB ASN 10 9.142 9.688 3.785 61 2HB ASN 10 2HB ASN 10 7.937 8.661 4.520 62 1HD2 ASN 10 1HD2 ASN 10 8.610 6.603 4.112 63 2HD2 ASN 10 2HD2 ASN 10 9.046 5.982 2.528 64 H THR 11 H THR 11 9.176 11.425 2.441 65 HA THR 11 HA THR 11 8.270 12.696 0.171 66 HB THR 11 HB THR 11 9.510 13.875 1.488 67 HG1 THR 11 HG1 THR 11 10.685 13.346 -1.007 68 1HG2 THR 11 1HG2 THR 11 10.748 12.269 2.450 69 2HG2 THR 11 2HG2 THR 11 11.429 11.742 0.927 70 3HG2 THR 11 3HG2 THR 11 11.945 13.295 1.642 71 H ASN 12 H ASN 12 8.205 9.767 -0.235 72 HA ASN 12 HA ASN 12 9.276 9.868 -2.980 73 1HB ASN 12 1HB ASN 12 10.752 8.497 -1.367 74 2HB ASN 12 2HB ASN 12 9.465 7.303 -1.433 75 1HD2 ASN 12 1HD2 ASN 12 8.969 6.341 -3.577 76 2HD2 ASN 12 2HD2 ASN 12 10.180 6.442 -4.860 77 H CYS 13 H CYS 13 6.517 9.447 -0.961 78 HA CYS 13 HA CYS 13 5.024 7.715 -2.760 79 1HB CYS 13 1HB CYS 13 4.439 8.211 -0.367 80 2HB CYS 13 2HB CYS 13 4.138 9.883 -0.835 81 H ASP 14 H ASP 14 3.075 8.765 -3.902 82 HA ASP 14 HA ASP 14 3.751 11.293 -5.339 83 1HB ASP 14 1HB ASP 14 4.690 9.333 -6.540 84 2HB ASP 14 2HB ASP 14 3.093 8.588 -6.580 85 H TYR 15 H TYR 15 1.377 8.580 -5.319 86 HA TYR 15 HA TYR 15 -0.882 10.157 -6.005 87 1HB TYR 15 1HB TYR 15 -0.651 7.496 -4.549 88 2HB TYR 15 2HB TYR 15 -2.171 8.176 -5.119 89 HD1 TYR 15 HD1 TYR 15 0.753 6.310 -5.984 90 HD2 TYR 15 HD2 TYR 15 -2.557 8.526 -7.583 91 HE1 TYR 15 HE1 TYR 15 1.206 5.333 -8.244 92 HE2 TYR 15 HE2 TYR 15 -2.108 7.644 -9.829 93 HH TYR 15 HH TYR 15 -0.839 6.194 -11.117 94 H THR 16 H THR 16 -2.291 11.338 -4.784 95 HA THR 16 HA THR 16 -2.285 10.939 -1.842 96 HB THR 16 HB THR 16 -2.813 13.246 -1.514 97 HG1 THR 16 HG1 THR 16 -3.582 14.222 -3.151 98 1HG2 THR 16 1HG2 THR 16 -0.594 14.144 -1.941 99 2HG2 THR 16 2HG2 THR 16 -0.433 12.443 -1.521 100 3HG2 THR 16 3HG2 THR 16 -0.288 12.962 -3.208 101 H ASN 17 H ASN 17 -3.564 9.160 -3.113 102 HA ASN 17 HA ASN 17 -6.323 9.817 -2.426 103 1HB ASN 17 1HB ASN 17 -6.034 7.728 -4.529 104 2HB ASN 17 2HB ASN 17 -7.442 8.626 -4.039 105 1HD2 ASN 17 1HD2 ASN 17 -4.373 8.949 -5.616 106 2HD2 ASN 17 2HD2 ASN 17 -4.840 10.056 -6.911 107 H SER 18 H SER 18 -7.106 8.161 -0.995 108 HA SER 18 HA SER 18 -5.212 6.381 0.183 109 1HB SER 18 1HB SER 18 -7.434 5.459 1.232 110 2HB SER 18 2HB SER 18 -6.997 7.114 1.595 111 HG SER 18 HG SER 18 -9.191 6.710 0.897 112 H GLN 19 H GLN 19 -8.032 5.827 -1.939 113 HA GLN 19 HA GLN 19 -7.740 3.116 -2.326 114 1HB GLN 19 1HB GLN 19 -9.720 4.476 -2.902 115 2HB GLN 19 2HB GLN 19 -8.875 5.151 -4.275 116 1HG GLN 19 1HG GLN 19 -10.272 3.518 -5.175 117 2HG GLN 19 2HG GLN 19 -8.702 2.729 -5.146 118 1HE2 GLN 19 1HE2 GLN 19 -8.527 0.734 -3.936 119 2HE2 GLN 19 2HE2 GLN 19 -9.857 0.090 -3.032 120 H ASP 20 H ASP 20 -6.584 5.549 -4.855 121 HA ASP 20 HA ASP 20 -5.370 3.561 -6.472 122 1HB ASP 20 1HB ASP 20 -4.981 6.543 -6.168 123 2HB ASP 20 2HB ASP 20 -3.858 5.613 -7.138 124 H ALA 21 H ALA 21 -3.729 5.587 -3.927 125 HA ALA 21 HA ALA 21 -1.200 4.397 -4.209 126 1HB ALA 21 1HB ALA 21 -1.531 6.364 -2.892 127 2HB ALA 21 2HB ALA 21 -2.520 5.458 -1.711 128 3HB ALA 21 3HB ALA 21 -0.791 5.095 -1.915 129 H TRP 22 H TRP 22 -3.897 3.368 -2.008 130 HA TRP 22 HA TRP 22 -2.644 1.103 -0.930 131 1HB TRP 22 1HB TRP 22 -4.695 1.992 -0.022 132 2HB TRP 22 2HB TRP 22 -5.557 1.756 -1.528 133 HD1 TRP 22 HD1 TRP 22 -6.435 -0.665 -2.121 134 HE1 TRP 22 HE1 TRP 22 -7.123 -2.606 -0.614 135 HE3 TRP 22 HE3 TRP 22 -3.904 0.680 2.108 136 HZ2 TRP 22 HZ2 TRP 22 -6.694 -3.434 2.201 137 HZ3 TRP 22 HZ3 TRP 22 -4.215 -0.575 4.215 138 HH2 TRP 22 HH2 TRP 22 -5.540 -2.653 4.239 139 H ASP 23 H ASP 23 -4.751 1.363 -3.884 140 HA ASP 23 HA ASP 23 -4.970 -1.352 -4.502 141 1HB ASP 23 1HB ASP 23 -4.943 1.090 -6.335 142 2HB ASP 23 2HB ASP 23 -5.215 -0.526 -6.914 143 H TYR 24 H TYR 24 -2.569 1.012 -5.741 144 HA TYR 24 HA TYR 24 -1.100 -0.882 -7.277 145 1HB TYR 24 1HB TYR 24 -0.535 1.804 -6.074 146 2HB TYR 24 2HB TYR 24 0.738 0.970 -6.886 147 HD1 TYR 24 HD1 TYR 24 -2.916 1.878 -7.752 148 HD2 TYR 24 HD2 TYR 24 1.239 1.664 -8.973 149 HE1 TYR 24 HE1 TYR 24 -3.482 2.914 -9.896 150 HE2 TYR 24 HE2 TYR 24 0.659 2.664 -11.137 151 HH TYR 24 HH TYR 24 -1.021 3.988 -12.189 152 H CYS 25 H CYS 25 -0.604 0.438 -3.911 153 HA CYS 25 HA CYS 25 1.712 -0.982 -3.197 154 1HB CYS 25 1HB CYS 25 -0.711 -0.446 -1.439 155 2HB CYS 25 2HB CYS 25 0.851 -0.987 -0.860 156 H THR 26 H THR 26 -1.622 -2.127 -3.289 157 HA THR 26 HA THR 26 -0.979 -4.734 -2.086 158 HB THR 26 HB THR 26 -3.286 -4.917 -1.712 159 HG1 THR 26 HG1 THR 26 -3.580 -2.303 -2.787 160 1HG2 THR 26 1HG2 THR 26 -1.976 -3.740 -0.084 161 2HG2 THR 26 2HG2 THR 26 -2.207 -2.205 -0.886 162 3HG2 THR 26 3HG2 THR 26 -3.601 -3.012 -0.187 163 H ASN 27 H ASN 27 -0.379 -3.760 -4.991 164 HA ASN 27 HA ASN 27 -0.078 -4.681 -6.973 165 1HB ASN 27 1HB ASN 27 0.943 -6.380 -5.470 166 2HB ASN 27 2HB ASN 27 -0.507 -7.367 -5.635 167 1HD2 ASN 27 1HD2 ASN 27 -0.966 -8.145 -7.894 168 2HD2 ASN 27 2HD2 ASN 27 0.398 -8.502 -8.941 169 H TYR 28 H TYR 28 -2.877 -4.068 -6.021 170 HA TYR 28 HA TYR 28 -4.782 -5.699 -7.398 171 1HB TYR 28 1HB TYR 28 -5.034 -4.003 -5.485 172 2HB TYR 28 2HB TYR 28 -4.848 -2.745 -6.708 173 HD1 TYR 28 HD1 TYR 28 -6.742 -1.886 -7.842 174 HD2 TYR 28 HD2 TYR 28 -7.026 -5.595 -5.625 175 HE1 TYR 28 HE1 TYR 28 -9.085 -1.981 -8.338 176 HE2 TYR 28 HE2 TYR 28 -9.405 -5.624 -5.912 177 HH TYR 28 HH TYR 28 -10.861 -4.868 -7.964 178 H ILE 29 H ILE 29 -2.613 -3.095 -8.304 179 HA ILE 29 HA ILE 29 -3.521 -3.115 -11.129 180 HB ILE 29 HB ILE 29 -2.677 -0.770 -9.429 181 1HG1 ILE 29 1HG1 ILE 29 -4.970 -1.592 -8.989 182 2HG1 ILE 29 2HG1 ILE 29 -4.898 0.019 -9.563 183 1HG2 ILE 29 1HG2 ILE 29 -1.818 -0.389 -11.636 184 2HG2 ILE 29 2HG2 ILE 29 -3.337 -0.933 -12.386 185 3HG2 ILE 29 3HG2 ILE 29 -3.295 0.577 -11.463 186 1HD1 ILE 29 1HD1 ILE 29 -6.784 -1.268 -10.512 187 2HD1 ILE 29 2HD1 ILE 29 -5.712 -0.644 -11.769 188 3HD1 ILE 29 3HD1 ILE 29 -5.644 -2.371 -11.307 189 H VAL 30 H VAL 30 -1.815 -4.353 -12.029 190 HA VAL 30 HA VAL 30 0.661 -4.817 -10.945 191 HB VAL 30 HB VAL 30 1.282 -5.276 -13.434 192 1HG1 VAL 30 1HG1 VAL 30 0.890 -6.918 -11.689 193 2HG1 VAL 30 2HG1 VAL 30 -0.851 -6.792 -11.923 194 3HG1 VAL 30 3HG1 VAL 30 0.159 -7.446 -13.221 195 1HG2 VAL 30 1HG2 VAL 30 -0.567 -5.739 -14.915 196 2HG2 VAL 30 2HG2 VAL 30 -1.756 -5.189 -13.716 197 3HG2 VAL 30 3HG2 VAL 30 -0.630 -4.030 -14.469 198 H ASN 31 H ASN 31 2.334 -3.607 -10.554 199 HA ASN 31 HA ASN 31 2.991 -1.223 -12.235 200 1HB ASN 31 1HB ASN 31 2.759 0.299 -10.413 201 2HB ASN 31 2HB ASN 31 1.272 -0.598 -10.526 202 1HD2 ASN 31 1HD2 ASN 31 0.576 -1.693 -8.744 203 2HD2 ASN 31 2HD2 ASN 31 1.436 -1.747 -7.197 204 H SER 32 H SER 32 4.322 -3.786 -10.449 205 HA SER 32 HA SER 32 6.370 -4.339 -9.857 206 1HB SER 32 1HB SER 32 6.986 -2.471 -12.126 207 2HB SER 32 2HB SER 32 8.184 -3.534 -11.361 208 HG SER 32 HG SER 32 5.937 -4.210 -12.901 209 H SER 33 H SER 33 5.319 -1.712 -8.435 210 HA SER 33 HA SER 33 7.886 -1.283 -6.958 211 1HB SER 33 1HB SER 33 5.529 0.598 -7.224 212 2HB SER 33 2HB SER 33 7.075 0.924 -6.438 213 HG SER 33 HG SER 33 7.163 1.827 -8.407 214 H CYS 34 H CYS 34 4.998 -2.886 -6.697 215 HA CYS 34 HA CYS 34 3.905 -2.048 -4.229 216 1HB CYS 34 1HB CYS 34 2.490 -4.009 -4.480 217 2HB CYS 34 2HB CYS 34 2.747 -3.263 -6.067 218 H GLY 35 H GLY 35 3.441 -4.162 -2.538 219 1HA GLY 35 1HA GLY 35 4.413 -5.772 -1.175 220 2HA GLY 35 2HA GLY 35 6.028 -5.275 -1.667 221 H GLU 36 H GLU 36 6.233 -5.294 0.823 222 HA GLU 36 HA GLU 36 4.596 -3.620 2.464 223 1HB GLU 36 1HB GLU 36 5.993 -4.113 4.233 224 2HB GLU 36 2HB GLU 36 5.949 -5.541 3.212 225 1HG GLU 36 1HG GLU 36 8.222 -4.840 2.299 226 2HG GLU 36 2HG GLU 36 8.215 -3.521 3.502 227 H ILE 37 H ILE 37 7.565 -2.941 0.700 228 HA ILE 37 HA ILE 37 8.373 -0.494 1.732 229 HB ILE 37 HB ILE 37 8.489 -1.635 -1.049 230 1HG1 ILE 37 1HG1 ILE 37 10.400 -1.426 1.340 231 2HG1 ILE 37 2HG1 ILE 37 9.596 -2.888 0.792 232 1HG2 ILE 37 1HG2 ILE 37 9.783 0.903 0.029 233 2HG2 ILE 37 2HG2 ILE 37 10.257 0.090 -1.492 234 3HG2 ILE 37 3HG2 ILE 37 8.664 0.781 -1.322 235 1HD1 ILE 37 1HD1 ILE 37 11.810 -2.996 0.033 236 2HD1 ILE 37 2HD1 ILE 37 10.771 -2.693 -1.378 237 3HD1 ILE 37 3HD1 ILE 37 11.728 -1.362 -0.675 238 H CYS 38 H CYS 38 5.926 -1.107 -0.857 239 HA CYS 38 HA CYS 38 5.468 1.665 -1.381 240 1HB CYS 38 1HB CYS 38 4.960 -0.479 -2.769 241 2HB CYS 38 2HB CYS 38 3.453 -0.555 -1.854 242 H CYS 39 H CYS 39 3.868 -0.693 0.782 243 HA CYS 39 HA CYS 39 1.857 1.007 1.915 244 1HB CYS 39 1HB CYS 39 3.493 -1.018 3.441 245 2HB CYS 39 2HB CYS 39 1.833 -0.533 3.673 246 H ASN 40 H ASN 40 5.249 0.378 2.964 247 HA ASN 40 HA ASN 40 5.256 2.113 5.169 248 1HB ASN 40 1HB ASN 40 7.260 0.698 3.453 249 2HB ASN 40 2HB ASN 40 7.881 2.138 4.202 250 1HD2 ASN 40 1HD2 ASN 40 5.419 -0.172 5.549 251 2HD2 ASN 40 2HD2 ASN 40 6.521 -0.735 6.813 252 H ASP 41 H ASP 41 5.967 2.792 1.755 253 HA ASP 41 HA ASP 41 7.000 5.412 2.314 254 1HB ASP 41 1HB ASP 41 6.606 3.699 -0.104 255 2HB ASP 41 2HB ASP 41 6.604 5.421 -0.385 256 H CYS 42 H CYS 42 3.816 4.231 1.318 257 HA CYS 42 HA CYS 42 2.869 7.022 1.042 258 1HB CYS 42 1HB CYS 42 1.305 4.470 0.687 259 2HB CYS 42 2HB CYS 42 0.877 6.087 0.153 260 H PHE 43 H PHE 43 2.963 4.585 3.529 261 HA PHE 43 HA PHE 43 0.806 5.924 5.086 262 1HB PHE 43 1HB PHE 43 1.195 2.947 4.568 263 2HB PHE 43 2HB PHE 43 0.094 3.639 5.718 264 HD1 PHE 43 HD1 PHE 43 -1.951 4.698 5.063 265 HD2 PHE 43 HD2 PHE 43 0.597 2.895 2.075 266 HE1 PHE 43 HE1 PHE 43 -3.825 4.658 3.471 267 HE2 PHE 43 HE2 PHE 43 -1.292 2.769 0.544 268 HZ PHE 43 HZ PHE 43 -3.531 3.621 1.215 269 H ASP 44 H ASP 44 1.198 5.834 7.365 270 HA ASP 44 HA ASP 44 3.783 5.123 8.442 271 1HB ASP 44 1HB ASP 44 1.178 5.026 10.016 272 2HB ASP 44 2HB ASP 44 2.805 5.064 10.648 273 H GLU 45 H GLU 45 3.701 3.372 10.375 274 HA GLU 45 HA GLU 45 3.775 0.771 9.267 275 1HB GLU 45 1HB GLU 45 3.772 1.814 12.075 276 2HB GLU 45 2HB GLU 45 3.986 0.110 11.695 277 1HG GLU 45 1HG GLU 45 6.041 0.564 10.479 278 2HG GLU 45 2HG GLU 45 5.819 2.311 10.644 279 H THR 46 H THR 46 1.296 2.385 11.356 280 HA THR 46 HA THR 46 -0.182 0.054 11.893 281 HB THR 46 HB THR 46 -0.872 3.008 11.902 282 HG1 THR 46 HG1 THR 46 -0.348 1.313 14.092 283 1HG2 THR 46 1HG2 THR 46 -2.991 1.771 11.917 284 2HG2 THR 46 2HG2 THR 46 -2.403 0.714 13.210 285 3HG2 THR 46 3HG2 THR 46 -2.652 2.458 13.490 286 H GLY 47 H GLY 47 -0.793 2.618 9.408 287 1HA GLY 47 1HA GLY 47 -3.084 1.515 8.119 288 2HA GLY 47 2HA GLY 47 -1.859 2.534 7.415 289 H THR 48 H THR 48 0.477 1.329 7.570 290 HA THR 48 HA THR 48 0.612 -0.461 5.475 291 HB THR 48 HB THR 48 2.468 0.159 7.759 292 HG1 THR 48 HG1 THR 48 2.595 1.690 6.366 293 1HG2 THR 48 1HG2 THR 48 3.288 -1.679 5.514 294 2HG2 THR 48 2HG2 THR 48 4.236 -1.095 6.901 295 3HG2 THR 48 3HG2 THR 48 2.937 -2.220 7.170 296 H GLY 49 H GLY 49 0.401 -1.476 8.966 297 1HA GLY 49 1HA GLY 49 0.890 -4.115 8.485 298 2HA GLY 49 2HA GLY 49 -0.226 -3.564 9.755 299 H ALA 50 H ALA 50 -2.165 -2.467 7.843 300 HA ALA 50 HA ALA 50 -3.737 -4.836 7.142 301 1HB ALA 50 1HB ALA 50 -4.703 -2.646 7.995 302 2HB ALA 50 2HB ALA 50 -4.100 -1.847 6.532 303 3HB ALA 50 3HB ALA 50 -5.357 -3.094 6.406 304 H CYS 51 H CYS 51 -2.085 -2.229 5.332 305 HA CYS 51 HA CYS 51 -2.920 -3.040 2.771 306 1HB CYS 51 1HB CYS 51 -2.109 -0.854 3.560 307 2HB CYS 51 2HB CYS 51 -0.470 -1.496 3.658 308 H ARG 52 H ARG 52 -0.154 -3.858 4.867 309 HA ARG 52 HA ARG 52 1.335 -5.331 3.034 310 1HB ARG 52 1HB ARG 52 1.158 -5.746 6.029 311 2HB ARG 52 2HB ARG 52 2.216 -6.606 4.887 312 1HG ARG 52 1HG ARG 52 3.254 -4.483 4.188 313 2HG ARG 52 2HG ARG 52 2.237 -3.659 5.327 314 1HD ARG 52 1HD ARG 52 4.372 -3.849 6.332 315 2HD ARG 52 2HD ARG 52 3.287 -4.935 7.190 316 HE ARG 52 HE ARG 52 5.146 -5.820 5.004 317 1HH1 ARG 52 2HH2 ARG 52 3.652 -6.577 8.134 318 2HH1 ARG 52 1HH2 ARG 52 4.842 -7.765 8.555 319 1HH2 ARG 52 2HH1 ARG 52 6.840 -7.256 5.666 320 2HH2 ARG 52 1HH1 ARG 52 6.578 -8.273 7.036 321 H ALA 53 H ALA 53 -1.259 -6.535 5.303 322 HA ALA 53 HA ALA 53 -1.185 -9.204 4.394 323 1HB ALA 53 1HB ALA 53 -3.676 -7.628 5.182 324 2HB ALA 53 2HB ALA 53 -3.539 -9.385 5.067 325 3HB ALA 53 3HB ALA 53 -2.593 -8.508 6.302 326 H GLN 54 H GLN 54 -2.879 -6.391 2.980 327 HA GLN 54 HA GLN 54 -3.986 -7.957 0.828 328 1HB GLN 54 1HB GLN 54 -4.783 -5.688 1.823 329 2HB GLN 54 2HB GLN 54 -3.621 -4.976 0.780 330 1HG GLN 54 1HG GLN 54 -5.704 -4.941 -0.396 331 2HG GLN 54 2HG GLN 54 -4.769 -6.225 -1.158 332 1HE2 GLN 54 1HE2 GLN 54 -7.399 -6.437 -1.709 333 2HE2 GLN 54 2HE2 GLN 54 -8.124 -7.650 -0.681 334 H ALA 55 H ALA 55 -0.739 -6.920 1.158 335 HA ALA 55 HA ALA 55 -0.410 -7.330 -1.806 336 1HB ALA 55 1HB ALA 55 0.646 -5.290 -0.834 337 2HB ALA 55 2HB ALA 55 1.615 -6.315 0.227 338 3HB ALA 55 3HB ALA 55 1.844 -6.406 -1.531 339 H PHE 56 H PHE 56 0.626 -8.432 1.340 340 HA PHE 56 HA PHE 56 2.549 -10.347 0.845 341 1HB PHE 56 1HB PHE 56 1.826 -9.346 3.075 342 2HB PHE 56 2HB PHE 56 0.349 -10.231 2.959 343 HD1 PHE 56 HD1 PHE 56 0.192 -12.033 4.400 344 HD2 PHE 56 HD2 PHE 56 3.936 -11.332 2.373 345 HE1 PHE 56 HE1 PHE 56 1.187 -13.984 5.519 346 HE2 PHE 56 HE2 PHE 56 4.929 -13.256 3.538 347 HZ PHE 56 HZ PHE 56 3.593 -14.586 5.113 348 H GLY 57 H GLY 57 -0.913 -10.801 1.409 349 1HA GLY 57 1HA GLY 57 -0.925 -13.418 -0.016 350 2HA GLY 57 2HA GLY 57 -1.428 -13.329 1.673 351 H ASN 58 H ASN 58 -1.910 -11.421 -1.276 352 HA ASN 58 HA ASN 58 -4.783 -11.969 -1.389 353 1HB ASN 58 1HB ASN 58 -4.777 -9.891 -0.196 354 2HB ASN 58 2HB ASN 58 -3.419 -9.315 -1.130 355 1HD2 ASN 58 1HD2 ASN 58 -3.947 -7.716 -2.512 356 2HD2 ASN 58 2HD2 ASN 58 -5.303 -7.708 -3.594 357 H SER 59 H SER 59 -2.361 -9.783 -2.925 358 HA SER 59 HA SER 59 -2.845 -11.231 -5.505 359 1HB SER 59 1HB SER 59 -3.855 -9.065 -5.464 360 2HB SER 59 2HB SER 59 -2.346 -8.317 -4.942 361 HG SER 59 HG SER 59 -3.082 -9.367 -7.453 362 H CYS 60 H CYS 60 -0.171 -9.226 -3.978 363 HA CYS 60 HA CYS 60 1.660 -10.102 -5.997 364 1HB CYS 60 1HB CYS 60 1.793 -8.066 -4.337 365 2HB CYS 60 2HB CYS 60 2.593 -9.194 -3.254 366 H LEU 61 H LEU 61 3.368 -11.698 -5.857 367 HA LEU 61 HA LEU 61 2.652 -13.985 -4.259 368 1HB LEU 61 1HB LEU 61 4.087 -13.692 -6.583 369 2HB LEU 61 2HB LEU 61 5.410 -13.841 -5.430 370 HG LEU 61 HG LEU 61 4.920 -15.986 -6.341 371 1HD1 LEU 61 1HD1 LEU 61 4.574 -17.367 -4.416 372 2HD1 LEU 61 2HD1 LEU 61 5.436 -15.927 -3.883 373 3HD1 LEU 61 3HD1 LEU 61 3.699 -16.081 -3.563 374 1HD2 LEU 61 1HD2 LEU 61 2.016 -15.493 -5.561 375 2HD2 LEU 61 2HD2 LEU 61 2.699 -15.687 -7.177 376 3HD2 LEU 61 3HD2 LEU 61 2.629 -17.057 -6.050 377 H ASN 62 H ASN 62 5.120 -11.450 -3.952 378 HA ASN 62 HA ASN 62 5.640 -12.335 -1.158 379 1HB ASN 62 1HB ASN 62 7.706 -11.482 -3.223 380 2HB ASN 62 2HB ASN 62 8.008 -11.616 -1.493 381 1HD2 ASN 62 1HD2 ASN 62 7.800 -13.415 -4.492 382 2HD2 ASN 62 2HD2 ASN 62 8.097 -14.978 -3.746 383 H TRP 63 H TRP 63 5.675 -10.603 0.260 384 HA TRP 63 HA TRP 63 5.010 -7.902 -0.741 385 1HB TRP 63 1HB TRP 63 5.212 -7.322 1.681 386 2HB TRP 63 2HB TRP 63 3.923 -8.469 1.304 387 HD1 TRP 63 HD1 TRP 63 7.144 -10.248 1.697 388 HE1 TRP 63 HE1 TRP 63 7.348 -11.311 3.984 389 HE3 TRP 63 HE3 TRP 63 3.271 -7.953 3.839 390 HZ2 TRP 63 HZ2 TRP 63 5.768 -11.326 6.488 391 HZ3 TRP 63 HZ3 TRP 63 2.492 -8.515 6.170 392 HH2 TRP 63 HH2 TRP 63 3.740 -10.254 7.478 Start of MODEL 2 1 1H THR 1 1H THR 1 -9.500 0.360 11.847 2 HA THR 1 HA THR 1 -7.515 1.590 11.781 3 HB THR 1 HB THR 1 -6.278 -0.794 11.950 4 HG1 THR 1 HG1 THR 1 -5.375 1.796 11.460 5 1HG2 THR 1 1HG2 THR 1 -6.258 -1.368 9.573 6 2HG2 THR 1 2HG2 THR 1 -5.491 0.195 9.194 7 3HG2 THR 1 3HG2 THR 1 -4.618 -1.023 10.148 8 H ASP 2 H ASP 2 -7.854 -0.653 8.972 9 HA ASP 2 HA ASP 2 -8.261 -0.414 6.816 10 1HB ASP 2 1HB ASP 2 -9.750 2.014 7.760 11 2HB ASP 2 2HB ASP 2 -9.762 1.539 6.083 12 HA PRO 3 HA PRO 3 -5.267 2.787 5.362 13 1HB PRO 3 1HB PRO 3 -6.136 3.376 2.810 14 2HB PRO 3 2HB PRO 3 -5.180 1.940 3.252 15 1HG PRO 3 1HG PRO 3 -8.150 2.176 2.804 16 2HG PRO 3 2HG PRO 3 -7.068 0.874 2.253 17 1HD PRO 3 1HD PRO 3 -8.656 0.646 4.481 18 2HD PRO 3 2HD PRO 3 -7.079 -0.156 4.357 19 H GLU 4 H GLU 4 -8.707 3.121 5.494 20 HA GLU 4 HA GLU 4 -9.082 5.600 4.414 21 1HB GLU 4 1HB GLU 4 -10.873 4.006 5.058 22 2HB GLU 4 2HB GLU 4 -10.541 4.284 6.779 23 1HG GLU 4 1HG GLU 4 -11.484 6.465 6.697 24 2HG GLU 4 2HG GLU 4 -11.241 6.573 4.948 25 H GLU 5 H GLU 5 -8.020 4.967 7.755 26 HA GLU 5 HA GLU 5 -8.111 7.873 8.385 27 1HB GLU 5 1HB GLU 5 -8.236 5.402 10.154 28 2HB GLU 5 2HB GLU 5 -8.059 7.057 10.758 29 1HG GLU 5 1HG GLU 5 -10.163 7.710 9.628 30 2HG GLU 5 2HG GLU 5 -10.409 6.040 9.127 31 H HIS 6 H HIS 6 -5.901 6.237 6.915 32 HA HIS 6 HA HIS 6 -3.653 7.030 8.666 33 1HB HIS 6 1HB HIS 6 -4.101 4.275 7.435 34 2HB HIS 6 2HB HIS 6 -2.620 4.821 8.228 35 HD1 HIS 6 HD1 HIS 6 -2.816 5.264 10.898 36 HD2 HIS 6 HD2 HIS 6 -6.257 3.776 9.027 37 HE1 HIS 6 HE1 HIS 6 -4.315 4.361 12.777 38 H PHE 7 H PHE 7 -2.653 8.550 7.280 39 HA PHE 7 HA PHE 7 -1.675 7.549 4.740 40 1HB PHE 7 1HB PHE 7 -3.935 8.282 4.115 41 2HB PHE 7 2HB PHE 7 -3.647 9.850 4.838 42 HD1 PHE 7 HD1 PHE 7 -4.492 10.663 2.641 43 HD2 PHE 7 HD2 PHE 7 -0.733 8.550 2.938 44 HE1 PHE 7 HE1 PHE 7 -3.807 11.504 0.403 45 HE2 PHE 7 HE2 PHE 7 -0.168 9.192 0.675 46 HZ PHE 7 HZ PHE 7 -1.627 10.784 -0.557 47 H ASP 8 H ASP 8 0.359 7.892 5.629 48 HA ASP 8 HA ASP 8 1.223 10.697 5.891 49 1HB ASP 8 1HB ASP 8 1.372 8.647 8.028 50 2HB ASP 8 2HB ASP 8 2.932 9.382 7.624 51 HA PRO 9 HA PRO 9 3.604 8.329 2.740 52 1HB PRO 9 1HB PRO 9 3.827 10.499 1.008 53 2HB PRO 9 2HB PRO 9 2.598 9.219 0.952 54 1HG PRO 9 1HG PRO 9 2.368 12.013 1.938 55 2HG PRO 9 2HG PRO 9 1.110 10.992 1.261 56 1HD PRO 9 1HD PRO 9 1.559 11.589 3.979 57 2HD PRO 9 2HD PRO 9 0.553 10.264 3.389 58 H ASN 10 H ASN 10 5.694 8.740 1.833 59 HA ASN 10 HA ASN 10 7.219 10.996 2.990 60 1HB ASN 10 1HB ASN 10 9.235 9.720 3.014 61 2HB ASN 10 2HB ASN 10 8.021 8.863 3.951 62 1HD2 ASN 10 1HD2 ASN 10 9.562 7.133 3.730 63 2HD2 ASN 10 2HD2 ASN 10 9.419 6.043 2.371 64 H THR 11 H THR 11 9.430 10.920 1.339 65 HA THR 11 HA THR 11 8.298 12.177 -0.977 66 HB THR 11 HB THR 11 10.693 12.775 -1.312 67 HG1 THR 11 HG1 THR 11 12.151 12.119 0.087 68 1HG2 THR 11 1HG2 THR 11 9.155 14.258 -0.109 69 2HG2 THR 11 2HG2 THR 11 9.437 13.376 1.411 70 3HG2 THR 11 3HG2 THR 11 10.755 14.274 0.649 71 H ASN 12 H ASN 12 8.625 8.926 -0.562 72 HA ASN 12 HA ASN 12 9.481 8.507 -3.371 73 1HB ASN 12 1HB ASN 12 10.220 7.023 -1.327 74 2HB ASN 12 2HB ASN 12 8.636 6.281 -1.514 75 1HD2 ASN 12 1HD2 ASN 12 8.182 5.185 -3.629 76 2HD2 ASN 12 2HD2 ASN 12 9.530 4.672 -4.625 77 H CYS 13 H CYS 13 6.568 8.786 -1.357 78 HA CYS 13 HA CYS 13 4.801 7.287 -3.040 79 1HB CYS 13 1HB CYS 13 4.348 7.725 -0.714 80 2HB CYS 13 2HB CYS 13 4.376 9.450 -0.936 81 H ASP 14 H ASP 14 3.032 8.241 -4.359 82 HA ASP 14 HA ASP 14 3.726 10.755 -5.806 83 1HB ASP 14 1HB ASP 14 4.919 8.884 -6.901 84 2HB ASP 14 2HB ASP 14 3.419 7.976 -7.018 85 H TYR 15 H TYR 15 1.514 7.922 -5.642 86 HA TYR 15 HA TYR 15 -0.844 9.356 -6.526 87 1HB TYR 15 1HB TYR 15 -0.328 6.775 -5.031 88 2HB TYR 15 2HB TYR 15 -1.976 7.406 -5.262 89 HD1 TYR 15 HD1 TYR 15 0.679 5.530 -6.720 90 HD2 TYR 15 HD2 TYR 15 -2.727 8.001 -7.620 91 HE1 TYR 15 HE1 TYR 15 0.705 4.707 -9.065 92 HE2 TYR 15 HE2 TYR 15 -2.745 7.209 -9.937 93 HH TYR 15 HH TYR 15 -0.353 4.879 -11.203 94 H THR 16 H THR 16 -2.306 10.471 -5.381 95 HA THR 16 HA THR 16 -1.636 11.001 -2.561 96 HB THR 16 HB THR 16 -2.537 13.321 -3.175 97 HG1 THR 16 HG1 THR 16 -3.325 13.216 -5.109 98 1HG2 THR 16 1HG2 THR 16 -0.182 12.848 -2.695 99 2HG2 THR 16 2HG2 THR 16 0.081 12.346 -4.369 100 3HG2 THR 16 3HG2 THR 16 -0.348 14.027 -4.006 101 H ASN 17 H ASN 17 -3.516 8.886 -3.392 102 HA ASN 17 HA ASN 17 -5.452 9.761 -1.528 103 1HB ASN 17 1HB ASN 17 -7.491 9.128 -2.500 104 2HB ASN 17 2HB ASN 17 -6.729 10.280 -3.576 105 1HD2 ASN 17 1HD2 ASN 17 -5.525 9.383 -5.347 106 2HD2 ASN 17 2HD2 ASN 17 -6.171 7.949 -6.201 107 H SER 18 H SER 18 -6.572 8.192 -0.499 108 HA SER 18 HA SER 18 -5.041 5.932 0.168 109 1HB SER 18 1HB SER 18 -7.120 5.535 1.756 110 2HB SER 18 2HB SER 18 -6.198 7.030 1.907 111 HG SER 18 HG SER 18 -8.061 7.927 1.665 112 H GLN 19 H GLN 19 -7.156 6.077 -2.507 113 HA GLN 19 HA GLN 19 -7.756 3.167 -2.322 114 1HB GLN 19 1HB GLN 19 -9.671 4.673 -2.935 115 2HB GLN 19 2HB GLN 19 -8.753 5.254 -4.319 116 1HG GLN 19 1HG GLN 19 -10.186 3.712 -5.260 117 2HG GLN 19 2HG GLN 19 -8.671 2.830 -5.167 118 1HE2 GLN 19 1HE2 GLN 19 -8.849 0.749 -4.271 119 2HE2 GLN 19 2HE2 GLN 19 -10.015 0.300 -3.053 120 H ASP 20 H ASP 20 -6.472 5.572 -4.751 121 HA ASP 20 HA ASP 20 -5.547 3.570 -6.505 122 1HB ASP 20 1HB ASP 20 -4.729 6.462 -6.077 123 2HB ASP 20 2HB ASP 20 -3.944 5.453 -7.251 124 H ALA 21 H ALA 21 -3.663 5.458 -4.031 125 HA ALA 21 HA ALA 21 -1.214 4.147 -4.673 126 1HB ALA 21 1HB ALA 21 -1.932 5.254 -1.917 127 2HB ALA 21 2HB ALA 21 -0.329 5.116 -2.671 128 3HB ALA 21 3HB ALA 21 -1.494 6.279 -3.293 129 H TRP 22 H TRP 22 -3.882 3.291 -2.455 130 HA TRP 22 HA TRP 22 -2.542 1.195 -1.027 131 1HB TRP 22 1HB TRP 22 -4.559 2.121 -0.136 132 2HB TRP 22 2HB TRP 22 -5.439 1.906 -1.629 133 HD1 TRP 22 HD1 TRP 22 -6.397 -0.486 -2.191 134 HE1 TRP 22 HE1 TRP 22 -7.022 -2.474 -0.696 135 HE3 TRP 22 HE3 TRP 22 -3.708 0.783 1.937 136 HZ2 TRP 22 HZ2 TRP 22 -6.483 -3.355 2.022 137 HZ3 TRP 22 HZ3 TRP 22 -3.957 -0.511 4.047 138 HH2 TRP 22 HH2 TRP 22 -5.233 -2.629 4.041 139 H ASP 23 H ASP 23 -4.984 1.088 -3.698 140 HA ASP 23 HA ASP 23 -5.015 -1.618 -4.289 141 1HB ASP 23 1HB ASP 23 -5.515 0.854 -5.938 142 2HB ASP 23 2HB ASP 23 -5.505 -0.723 -6.694 143 H TYR 24 H TYR 24 -2.900 0.854 -5.779 144 HA TYR 24 HA TYR 24 -1.420 -0.833 -7.471 145 1HB TYR 24 1HB TYR 24 -0.920 1.841 -6.129 146 2HB TYR 24 2HB TYR 24 0.376 1.038 -6.984 147 HD1 TYR 24 HD1 TYR 24 -3.322 1.617 -7.744 148 HD2 TYR 24 HD2 TYR 24 0.766 1.909 -9.076 149 HE1 TYR 24 HE1 TYR 24 -4.102 2.426 -9.913 150 HE2 TYR 24 HE2 TYR 24 -0.022 2.604 -11.323 151 HH TYR 24 HH TYR 24 -3.425 3.396 -11.926 152 H CYS 25 H CYS 25 -0.598 0.225 -4.123 153 HA CYS 25 HA CYS 25 1.772 -1.358 -3.887 154 1HB CYS 25 1HB CYS 25 1.422 0.454 -2.408 155 2HB CYS 25 2HB CYS 25 -0.097 -0.186 -1.791 156 H THR 26 H THR 26 -1.616 -2.170 -3.198 157 HA THR 26 HA THR 26 -0.996 -4.712 -2.028 158 HB THR 26 HB THR 26 -3.211 -5.061 -1.866 159 HG1 THR 26 HG1 THR 26 -3.561 -3.272 -4.047 160 1HG2 THR 26 1HG2 THR 26 -3.713 -2.177 -1.958 161 2HG2 THR 26 2HG2 THR 26 -4.072 -3.306 -0.753 162 3HG2 THR 26 3HG2 THR 26 -2.408 -2.740 -0.863 163 H ASN 27 H ASN 27 -0.491 -3.711 -5.149 164 HA ASN 27 HA ASN 27 -0.045 -4.493 -7.116 165 1HB ASN 27 1HB ASN 27 1.287 -6.319 -5.870 166 2HB ASN 27 2HB ASN 27 -0.109 -7.339 -6.139 167 1HD2 ASN 27 1HD2 ASN 27 -0.039 -8.528 -8.021 168 2HD2 ASN 27 2HD2 ASN 27 0.716 -8.058 -9.495 169 H TYR 28 H TYR 28 -2.865 -4.419 -5.939 170 HA TYR 28 HA TYR 28 -4.610 -6.111 -7.459 171 1HB TYR 28 1HB TYR 28 -5.071 -4.509 -5.539 172 2HB TYR 28 2HB TYR 28 -4.866 -3.185 -6.687 173 HD1 TYR 28 HD1 TYR 28 -6.975 -6.188 -5.903 174 HD2 TYR 28 HD2 TYR 28 -6.676 -2.264 -7.658 175 HE1 TYR 28 HE1 TYR 28 -9.431 -5.972 -5.837 176 HE2 TYR 28 HE2 TYR 28 -9.082 -2.062 -7.725 177 HH TYR 28 HH TYR 28 -10.905 -2.787 -6.574 178 H ILE 29 H ILE 29 -2.811 -3.096 -8.059 179 HA ILE 29 HA ILE 29 -3.272 -3.306 -10.983 180 HB ILE 29 HB ILE 29 -2.877 -0.824 -9.312 181 1HG1 ILE 29 1HG1 ILE 29 -5.119 -1.821 -9.034 182 2HG1 ILE 29 2HG1 ILE 29 -5.159 -0.280 -9.790 183 1HG2 ILE 29 1HG2 ILE 29 -1.842 -0.465 -11.451 184 2HG2 ILE 29 2HG2 ILE 29 -3.205 -1.241 -12.299 185 3HG2 ILE 29 3HG2 ILE 29 -3.439 0.308 -11.509 186 1HD1 ILE 29 1HD1 ILE 29 -5.565 -1.332 -12.009 187 2HD1 ILE 29 2HD1 ILE 29 -5.478 -2.941 -11.251 188 3HD1 ILE 29 3HD1 ILE 29 -6.770 -1.817 -10.813 189 H VAL 30 H VAL 30 -1.444 -4.110 -11.871 190 HA VAL 30 HA VAL 30 0.968 -4.413 -10.384 191 HB VAL 30 HB VAL 30 1.826 -5.034 -12.771 192 1HG1 VAL 30 1HG1 VAL 30 1.557 -6.609 -11.036 193 2HG1 VAL 30 2HG1 VAL 30 -0.213 -6.613 -11.196 194 3HG1 VAL 30 3HG1 VAL 30 0.822 -7.299 -12.490 195 1HG2 VAL 30 1HG2 VAL 30 -1.161 -5.325 -13.318 196 2HG2 VAL 30 2HG2 VAL 30 -0.115 -4.085 -14.048 197 3HG2 VAL 30 3HG2 VAL 30 0.198 -5.789 -14.358 198 H ASN 31 H ASN 31 2.576 -3.036 -10.178 199 HA ASN 31 HA ASN 31 3.136 -0.912 -12.133 200 1HB ASN 31 1HB ASN 31 2.684 0.957 -10.800 201 2HB ASN 31 2HB ASN 31 1.258 -0.050 -10.608 202 1HD2 ASN 31 1HD2 ASN 31 1.222 -1.511 -8.611 203 2HD2 ASN 31 2HD2 ASN 31 2.014 -0.946 -7.166 204 H SER 32 H SER 32 4.320 -3.201 -10.113 205 HA SER 32 HA SER 32 6.289 -3.751 -9.312 206 1HB SER 32 1HB SER 32 7.228 -1.652 -11.287 207 2HB SER 32 2HB SER 32 8.248 -2.904 -10.564 208 HG SER 32 HG SER 32 7.212 -3.372 -12.682 209 H SER 33 H SER 33 4.919 -1.614 -7.725 210 HA SER 33 HA SER 33 7.274 -1.203 -5.962 211 1HB SER 33 1HB SER 33 6.396 0.871 -7.319 212 2HB SER 33 2HB SER 33 5.075 0.808 -6.150 213 HG SER 33 HG SER 33 7.850 1.270 -5.816 214 H CYS 34 H CYS 34 5.416 -3.274 -6.098 215 HA CYS 34 HA CYS 34 3.430 -2.880 -3.917 216 1HB CYS 34 1HB CYS 34 2.730 -5.185 -4.701 217 2HB CYS 34 2HB CYS 34 2.454 -3.851 -5.811 218 H GLY 35 H GLY 35 3.640 -3.903 -1.942 219 1HA GLY 35 1HA GLY 35 4.652 -5.904 -0.781 220 2HA GLY 35 2HA GLY 35 6.194 -5.273 -1.377 221 H GLU 36 H GLU 36 6.330 -5.355 1.218 222 HA GLU 36 HA GLU 36 4.656 -3.607 2.714 223 1HB GLU 36 1HB GLU 36 5.939 -4.072 4.577 224 2HB GLU 36 2HB GLU 36 5.898 -5.537 3.587 225 1HG GLU 36 1HG GLU 36 8.239 -4.966 2.811 226 2HG GLU 36 2HG GLU 36 8.229 -3.624 3.978 227 H ILE 37 H ILE 37 7.682 -2.983 1.117 228 HA ILE 37 HA ILE 37 8.595 -0.618 2.355 229 HB ILE 37 HB ILE 37 8.802 -1.669 -0.472 230 1HG1 ILE 37 1HG1 ILE 37 10.536 -1.736 2.043 231 2HG1 ILE 37 2HG1 ILE 37 9.764 -3.109 1.242 232 1HG2 ILE 37 1HG2 ILE 37 10.535 -0.100 -0.950 233 2HG2 ILE 37 2HG2 ILE 37 9.188 0.857 -0.379 234 3HG2 ILE 37 3HG2 ILE 37 10.535 0.530 0.715 235 1HD1 ILE 37 1HD1 ILE 37 11.226 -2.723 -0.737 236 2HD1 ILE 37 2HD1 ILE 37 12.064 -1.453 0.213 237 3HD1 ILE 37 3HD1 ILE 37 12.095 -3.126 0.765 238 H CYS 38 H CYS 38 6.278 -0.960 -0.434 239 HA CYS 38 HA CYS 38 5.968 1.886 -0.602 240 1HB CYS 38 1HB CYS 38 5.586 0.159 -2.354 241 2HB CYS 38 2HB CYS 38 4.043 -0.206 -1.628 242 H CYS 39 H CYS 39 4.211 -0.649 1.226 243 HA CYS 39 HA CYS 39 2.103 0.941 2.274 244 1HB CYS 39 1HB CYS 39 3.692 -1.106 3.820 245 2HB CYS 39 2HB CYS 39 2.045 -0.596 4.041 246 H ASN 40 H ASN 40 5.407 0.361 3.471 247 HA ASN 40 HA ASN 40 5.394 2.045 5.730 248 1HB ASN 40 1HB ASN 40 7.395 0.678 3.957 249 2HB ASN 40 2HB ASN 40 8.031 2.008 4.826 250 1HD2 ASN 40 1HD2 ASN 40 5.428 -0.105 6.185 251 2HD2 ASN 40 2HD2 ASN 40 6.537 -0.862 7.329 252 H ASP 41 H ASP 41 5.814 2.828 2.332 253 HA ASP 41 HA ASP 41 6.916 5.495 2.920 254 1HB ASP 41 1HB ASP 41 6.706 3.744 0.443 255 2HB ASP 41 2HB ASP 41 7.261 5.409 0.376 256 H CYS 42 H CYS 42 3.816 4.201 2.190 257 HA CYS 42 HA CYS 42 2.891 6.941 1.415 258 1HB CYS 42 1HB CYS 42 1.556 4.385 0.593 259 2HB CYS 42 2HB CYS 42 1.159 6.047 0.131 260 H PHE 43 H PHE 43 2.701 4.469 3.833 261 HA PHE 43 HA PHE 43 0.376 5.783 5.083 262 1HB PHE 43 1HB PHE 43 0.901 2.779 4.765 263 2HB PHE 43 2HB PHE 43 -0.294 3.481 5.826 264 HD1 PHE 43 HD1 PHE 43 0.545 2.961 2.166 265 HD2 PHE 43 HD2 PHE 43 -2.402 4.178 5.046 266 HE1 PHE 43 HE1 PHE 43 -1.147 2.974 0.395 267 HE2 PHE 43 HE2 PHE 43 -4.067 4.411 3.245 268 HZ PHE 43 HZ PHE 43 -3.464 3.794 0.899 269 H ASP 44 H ASP 44 0.572 5.655 7.493 270 HA ASP 44 HA ASP 44 3.301 5.492 8.499 271 1HB ASP 44 1HB ASP 44 1.325 6.798 9.531 272 2HB ASP 44 2HB ASP 44 0.776 5.241 10.126 273 H GLU 45 H GLU 45 3.620 3.936 10.338 274 HA GLU 45 HA GLU 45 3.679 1.268 9.308 275 1HB GLU 45 1HB GLU 45 5.312 2.433 10.820 276 2HB GLU 45 2HB GLU 45 4.242 2.038 12.158 277 1HG GLU 45 1HG GLU 45 4.681 -0.231 12.052 278 2HG GLU 45 2HG GLU 45 4.981 -0.207 10.309 279 H THR 46 H THR 46 1.337 2.930 11.199 280 HA THR 46 HA THR 46 -0.033 0.566 12.256 281 HB THR 46 HB THR 46 -0.950 3.442 11.957 282 HG1 THR 46 HG1 THR 46 0.853 3.141 13.347 283 1HG2 THR 46 1HG2 THR 46 -2.131 1.122 13.536 284 2HG2 THR 46 2HG2 THR 46 -2.585 2.832 13.727 285 3HG2 THR 46 3HG2 THR 46 -2.882 2.003 12.195 286 H GLY 47 H GLY 47 -0.844 2.905 9.603 287 1HA GLY 47 1HA GLY 47 -2.975 1.346 8.507 288 2HA GLY 47 2HA GLY 47 -2.072 2.623 7.683 289 H THR 48 H THR 48 0.546 1.368 7.975 290 HA THR 48 HA THR 48 0.791 -0.211 5.738 291 HB THR 48 HB THR 48 2.394 -0.040 8.310 292 HG1 THR 48 HG1 THR 48 2.541 1.740 6.938 293 1HG2 THR 48 1HG2 THR 48 2.849 -2.307 7.397 294 2HG2 THR 48 2HG2 THR 48 3.379 -1.554 5.883 295 3HG2 THR 48 3HG2 THR 48 4.226 -1.228 7.410 296 H GLY 49 H GLY 49 0.174 -1.482 9.119 297 1HA GLY 49 1HA GLY 49 0.596 -4.150 8.375 298 2HA GLY 49 2HA GLY 49 -0.419 -3.630 9.724 299 H ALA 50 H ALA 50 -2.252 -2.150 7.775 300 HA ALA 50 HA ALA 50 -4.038 -4.340 6.996 301 1HB ALA 50 1HB ALA 50 -4.814 -2.075 7.776 302 2HB ALA 50 2HB ALA 50 -4.049 -1.344 6.347 303 3HB ALA 50 3HB ALA 50 -5.399 -2.470 6.157 304 H CYS 51 H CYS 51 -1.948 -1.943 5.250 305 HA CYS 51 HA CYS 51 -2.735 -2.915 2.727 306 1HB CYS 51 1HB CYS 51 -1.897 -0.650 3.294 307 2HB CYS 51 2HB CYS 51 -0.264 -1.316 3.397 308 H ARG 52 H ARG 52 -0.065 -3.742 4.965 309 HA ARG 52 HA ARG 52 1.386 -5.287 3.173 310 1HB ARG 52 1HB ARG 52 1.169 -5.646 6.181 311 2HB ARG 52 2HB ARG 52 2.208 -6.582 5.075 312 1HG ARG 52 1HG ARG 52 3.386 -4.551 4.365 313 2HG ARG 52 2HG ARG 52 2.333 -3.605 5.400 314 1HD ARG 52 1HD ARG 52 4.357 -3.806 6.579 315 2HD ARG 52 2HD ARG 52 3.234 -4.918 7.380 316 HE ARG 52 HE ARG 52 5.027 -6.062 5.327 317 1HH1 ARG 52 2HH2 ARG 52 4.904 -5.175 8.762 318 2HH1 ARG 52 1HH2 ARG 52 5.894 -6.486 9.274 319 1HH2 ARG 52 2HH1 ARG 52 6.824 -7.322 6.014 320 2HH2 ARG 52 1HH1 ARG 52 7.009 -7.806 7.641 321 H ALA 53 H ALA 53 -1.350 -6.252 5.353 322 HA ALA 53 HA ALA 53 -1.417 -8.975 4.583 323 1HB ALA 53 1HB ALA 53 -3.007 -8.194 6.268 324 2HB ALA 53 2HB ALA 53 -3.845 -7.187 5.048 325 3HB ALA 53 3HB ALA 53 -3.870 -8.940 4.886 326 H GLN 54 H GLN 54 -3.057 -6.215 3.003 327 HA GLN 54 HA GLN 54 -4.029 -7.742 0.807 328 1HB GLN 54 1HB GLN 54 -4.642 -5.338 1.772 329 2HB GLN 54 2HB GLN 54 -3.474 -4.806 0.626 330 1HG GLN 54 1HG GLN 54 -5.739 -4.638 -0.283 331 2HG GLN 54 2HG GLN 54 -4.880 -5.875 -1.193 332 1HE2 GLN 54 1HE2 GLN 54 -6.891 -6.749 -1.927 333 2HE2 GLN 54 2HE2 GLN 54 -7.876 -7.712 -0.870 334 H ALA 55 H ALA 55 -0.741 -6.682 1.313 335 HA ALA 55 HA ALA 55 -0.155 -7.238 -1.568 336 1HB ALA 55 1HB ALA 55 2.021 -6.118 -1.126 337 2HB ALA 55 2HB ALA 55 0.659 -5.040 -0.756 338 3HB ALA 55 3HB ALA 55 1.524 -5.832 0.561 339 H PHE 56 H PHE 56 -0.087 -8.637 1.518 340 HA PHE 56 HA PHE 56 2.245 -10.350 1.155 341 1HB PHE 56 1HB PHE 56 1.684 -9.371 3.381 342 2HB PHE 56 2HB PHE 56 0.111 -10.108 3.310 343 HD1 PHE 56 HD1 PHE 56 3.670 -11.333 2.842 344 HD2 PHE 56 HD2 PHE 56 -0.226 -12.034 4.587 345 HE1 PHE 56 HE1 PHE 56 4.551 -13.270 4.041 346 HE2 PHE 56 HE2 PHE 56 0.634 -14.048 5.688 347 HZ PHE 56 HZ PHE 56 3.057 -14.680 5.450 348 H GLY 57 H GLY 57 -1.164 -10.908 1.996 349 1HA GLY 57 1HA GLY 57 -1.137 -13.498 0.474 350 2HA GLY 57 2HA GLY 57 -2.050 -13.207 1.961 351 H ASN 58 H ASN 58 -1.626 -11.548 -1.209 352 HA ASN 58 HA ASN 58 -4.461 -11.909 -1.843 353 1HB ASN 58 1HB ASN 58 -4.506 -9.939 -0.361 354 2HB ASN 58 2HB ASN 58 -3.171 -9.282 -1.276 355 1HD2 ASN 58 1HD2 ASN 58 -3.889 -7.509 -2.439 356 2HD2 ASN 58 2HD2 ASN 58 -5.091 -7.744 -3.696 357 H SER 59 H SER 59 -2.757 -9.212 -3.428 358 HA SER 59 HA SER 59 -2.801 -10.912 -5.829 359 1HB SER 59 1HB SER 59 -2.639 -7.903 -5.685 360 2HB SER 59 2HB SER 59 -3.146 -8.904 -7.048 361 HG SER 59 HG SER 59 -4.990 -9.548 -5.638 362 H CYS 60 H CYS 60 -0.349 -9.512 -3.832 363 HA CYS 60 HA CYS 60 1.535 -9.266 -6.106 364 1HB CYS 60 1HB CYS 60 1.564 -7.776 -3.993 365 2HB CYS 60 2HB CYS 60 2.332 -9.148 -3.208 366 H LEU 61 H LEU 61 3.586 -10.698 -5.898 367 HA LEU 61 HA LEU 61 2.671 -13.491 -5.524 368 1HB LEU 61 1HB LEU 61 5.155 -12.254 -6.728 369 2HB LEU 61 2HB LEU 61 5.155 -13.916 -6.151 370 HG LEU 61 HG LEU 61 3.030 -14.316 -7.537 371 1HD1 LEU 61 1HD1 LEU 61 2.815 -12.845 -9.561 372 2HD1 LEU 61 2HD1 LEU 61 2.374 -12.023 -8.061 373 3HD1 LEU 61 3HD1 LEU 61 3.975 -11.720 -8.828 374 1HD2 LEU 61 1HD2 LEU 61 5.595 -13.668 -9.002 375 2HD2 LEU 61 2HD2 LEU 61 5.264 -15.151 -8.090 376 3HD2 LEU 61 3HD2 LEU 61 4.320 -14.780 -9.543 377 H ASN 62 H ASN 62 5.132 -11.261 -4.151 378 HA ASN 62 HA ASN 62 4.741 -12.421 -1.537 379 1HB ASN 62 1HB ASN 62 7.467 -12.311 -2.910 380 2HB ASN 62 2HB ASN 62 7.284 -12.122 -1.180 381 1HD2 ASN 62 1HD2 ASN 62 7.364 -14.479 -3.746 382 2HD2 ASN 62 2HD2 ASN 62 7.086 -15.870 -2.735 383 H TRP 63 H TRP 63 5.102 -10.723 -0.005 384 HA TRP 63 HA TRP 63 5.069 -7.965 -0.896 385 1HB TRP 63 1HB TRP 63 5.414 -7.487 1.483 386 2HB TRP 63 2HB TRP 63 3.994 -8.495 1.153 387 HD1 TRP 63 HD1 TRP 63 6.800 -10.814 1.331 388 HE1 TRP 63 HE1 TRP 63 7.227 -11.740 3.653 389 HE3 TRP 63 HE3 TRP 63 3.547 -7.903 3.903 390 HZ2 TRP 63 HZ2 TRP 63 6.262 -11.285 6.331 391 HZ3 TRP 63 HZ3 TRP 63 3.259 -8.217 6.384 392 HH2 TRP 63 HH2 TRP 63 4.632 -9.873 7.588 Start of MODEL 3 1 1H THR 1 1H THR 1 -5.176 -2.554 10.265 2 HA THR 1 HA THR 1 -7.724 -1.312 10.756 3 HB THR 1 HB THR 1 -5.515 -0.703 11.789 4 HG1 THR 1 HG1 THR 1 -7.492 0.963 10.901 5 1HG2 THR 1 1HG2 THR 1 -4.940 1.018 9.356 6 2HG2 THR 1 2HG2 THR 1 -3.936 0.632 10.738 7 3HG2 THR 1 3HG2 THR 1 -4.241 -0.605 9.519 8 H ASP 2 H ASP 2 -6.728 1.041 8.930 9 HA ASP 2 HA ASP 2 -8.203 0.189 6.530 10 1HB ASP 2 1HB ASP 2 -8.972 2.691 8.000 11 2HB ASP 2 2HB ASP 2 -9.963 1.612 7.040 12 HA PRO 3 HA PRO 3 -5.320 3.463 5.210 13 1HB PRO 3 1HB PRO 3 -5.871 3.568 2.511 14 2HB PRO 3 2HB PRO 3 -5.179 2.092 3.241 15 1HG PRO 3 1HG PRO 3 -8.112 2.695 2.666 16 2HG PRO 3 2HG PRO 3 -7.187 1.242 2.179 17 1HD PRO 3 1HD PRO 3 -8.724 1.346 4.486 18 2HD PRO 3 2HD PRO 3 -7.230 0.364 4.355 19 H GLU 4 H GLU 4 -8.663 3.745 5.297 20 HA GLU 4 HA GLU 4 -9.181 6.198 4.026 21 1HB GLU 4 1HB GLU 4 -10.777 4.472 4.972 22 2HB GLU 4 2HB GLU 4 -10.301 4.985 6.595 23 1HG GLU 4 1HG GLU 4 -12.472 5.986 5.863 24 2HG GLU 4 2HG GLU 4 -11.255 7.237 6.145 25 H GLU 5 H GLU 5 -7.906 5.393 7.227 26 HA GLU 5 HA GLU 5 -7.910 8.242 8.000 27 1HB GLU 5 1HB GLU 5 -8.991 7.695 9.897 28 2HB GLU 5 2HB GLU 5 -9.627 6.504 8.758 29 1HG GLU 5 1HG GLU 5 -8.326 4.744 9.665 30 2HG GLU 5 2HG GLU 5 -7.590 5.876 10.838 31 H HIS 6 H HIS 6 -5.741 6.100 7.113 32 HA HIS 6 HA HIS 6 -3.599 7.037 8.931 33 1HB HIS 6 1HB HIS 6 -4.004 4.215 7.826 34 2HB HIS 6 2HB HIS 6 -2.554 4.788 8.635 35 HD1 HIS 6 HD1 HIS 6 -2.707 4.831 11.378 36 HD2 HIS 6 HD2 HIS 6 -6.330 4.191 9.291 37 HE1 HIS 6 HE1 HIS 6 -4.359 4.135 13.106 38 H PHE 7 H PHE 7 -2.295 8.227 7.531 39 HA PHE 7 HA PHE 7 -1.496 7.244 4.962 40 1HB PHE 7 1HB PHE 7 -3.922 8.281 4.721 41 2HB PHE 7 2HB PHE 7 -3.137 9.822 4.927 42 HD1 PHE 7 HD1 PHE 7 -4.759 9.385 2.687 43 HD2 PHE 7 HD2 PHE 7 -0.607 8.229 3.119 44 HE1 PHE 7 HE1 PHE 7 -4.505 9.294 0.241 45 HE2 PHE 7 HE2 PHE 7 -0.364 8.200 0.683 46 HZ PHE 7 HZ PHE 7 -2.320 8.561 -0.764 47 H ASP 8 H ASP 8 0.745 7.997 5.128 48 HA ASP 8 HA ASP 8 1.136 10.717 6.096 49 1HB ASP 8 1HB ASP 8 1.076 9.128 8.127 50 2HB ASP 8 2HB ASP 8 2.587 8.470 7.541 51 HA PRO 9 HA PRO 9 3.582 8.806 2.651 52 1HB PRO 9 1HB PRO 9 3.176 10.775 0.728 53 2HB PRO 9 2HB PRO 9 2.206 9.309 0.960 54 1HG PRO 9 1HG PRO 9 1.624 12.148 1.749 55 2HG PRO 9 2HG PRO 9 0.470 10.851 1.332 56 1HD PRO 9 1HD PRO 9 1.138 11.753 3.921 57 2HD PRO 9 2HD PRO 9 0.321 10.215 3.530 58 H ASN 10 H ASN 10 5.672 9.007 2.855 59 HA ASN 10 HA ASN 10 6.955 11.618 3.330 60 1HB ASN 10 1HB ASN 10 9.026 10.553 3.405 61 2HB ASN 10 2HB ASN 10 7.946 9.509 4.294 62 1HD2 ASN 10 1HD2 ASN 10 7.982 7.251 3.639 63 2HD2 ASN 10 2HD2 ASN 10 8.752 6.770 2.130 64 H THR 11 H THR 11 8.943 11.884 1.632 65 HA THR 11 HA THR 11 7.582 13.030 -0.586 66 HB THR 11 HB THR 11 9.931 13.644 -1.189 67 HG1 THR 11 HG1 THR 11 11.522 13.088 0.225 68 1HG2 THR 11 1HG2 THR 11 10.204 15.191 0.712 69 2HG2 THR 11 2HG2 THR 11 8.522 15.136 0.162 70 3HG2 THR 11 3HG2 THR 11 9.004 14.285 1.647 71 H ASN 12 H ASN 12 8.603 9.784 -0.338 72 HA ASN 12 HA ASN 12 9.281 9.451 -3.188 73 1HB ASN 12 1HB ASN 12 8.931 7.588 -0.822 74 2HB ASN 12 2HB ASN 12 8.972 6.993 -2.477 75 1HD2 ASN 12 1HD2 ASN 12 10.735 5.827 -1.308 76 2HD2 ASN 12 2HD2 ASN 12 12.339 6.401 -1.847 77 H CYS 13 H CYS 13 6.346 9.009 -1.075 78 HA CYS 13 HA CYS 13 4.833 7.414 -2.707 79 1HB CYS 13 1HB CYS 13 4.304 8.247 -0.420 80 2HB CYS 13 2HB CYS 13 3.989 9.834 -1.090 81 H ASP 14 H ASP 14 3.389 7.712 -4.454 82 HA ASP 14 HA ASP 14 3.709 10.203 -6.075 83 1HB ASP 14 1HB ASP 14 2.807 7.365 -6.733 84 2HB ASP 14 2HB ASP 14 2.457 8.726 -7.791 85 H TYR 15 H TYR 15 1.287 7.809 -4.972 86 HA TYR 15 HA TYR 15 -0.902 9.537 -5.879 87 1HB TYR 15 1HB TYR 15 -0.878 6.778 -4.614 88 2HB TYR 15 2HB TYR 15 -2.293 7.580 -5.285 89 HD1 TYR 15 HD1 TYR 15 -1.962 8.406 -7.841 90 HD2 TYR 15 HD2 TYR 15 0.213 5.229 -5.905 91 HE1 TYR 15 HE1 TYR 15 -1.411 7.463 -10.041 92 HE2 TYR 15 HE2 TYR 15 0.764 4.260 -8.110 93 HH TYR 15 HH TYR 15 0.703 4.598 -10.366 94 H THR 16 H THR 16 -1.896 10.980 -4.446 95 HA THR 16 HA THR 16 -1.716 10.464 -1.566 96 HB THR 16 HB THR 16 -2.424 12.906 -1.560 97 HG1 THR 16 HG1 THR 16 -1.882 13.941 -3.541 98 1HG2 THR 16 1HG2 THR 16 -0.097 13.561 -1.891 99 2HG2 THR 16 2HG2 THR 16 -0.101 11.953 -1.187 100 3HG2 THR 16 3HG2 THR 16 0.215 12.152 -2.922 101 H ASN 17 H ASN 17 -3.529 8.829 -3.101 102 HA ASN 17 HA ASN 17 -6.032 9.613 -1.692 103 1HB ASN 17 1HB ASN 17 -6.069 8.123 -4.303 104 2HB ASN 17 2HB ASN 17 -7.438 8.552 -3.309 105 1HD2 ASN 17 1HD2 ASN 17 -4.875 9.871 -5.323 106 2HD2 ASN 17 2HD2 ASN 17 -5.687 11.408 -5.671 107 H SER 18 H SER 18 -6.995 7.996 -0.686 108 HA SER 18 HA SER 18 -5.314 5.873 0.296 109 1HB SER 18 1HB SER 18 -8.243 6.522 0.832 110 2HB SER 18 2HB SER 18 -7.265 5.377 1.752 111 HG SER 18 HG SER 18 -6.572 6.975 2.845 112 H GLN 19 H GLN 19 -7.125 5.944 -2.506 113 HA GLN 19 HA GLN 19 -7.673 3.024 -2.409 114 1HB GLN 19 1HB GLN 19 -9.480 4.950 -2.875 115 2HB GLN 19 2HB GLN 19 -8.871 4.805 -4.520 116 1HG GLN 19 1HG GLN 19 -9.924 2.524 -2.773 117 2HG GLN 19 2HG GLN 19 -10.852 3.341 -4.026 118 1HE2 GLN 19 1HE2 GLN 19 -9.278 0.489 -3.518 119 2HE2 GLN 19 2HE2 GLN 19 -8.711 0.219 -5.158 120 H ASP 20 H ASP 20 -6.417 5.667 -4.633 121 HA ASP 20 HA ASP 20 -5.261 3.932 -6.534 122 1HB ASP 20 1HB ASP 20 -4.385 6.694 -5.571 123 2HB ASP 20 2HB ASP 20 -3.772 5.863 -7.003 124 H ALA 21 H ALA 21 -3.706 5.614 -3.702 125 HA ALA 21 HA ALA 21 -1.157 4.479 -4.125 126 1HB ALA 21 1HB ALA 21 -1.732 6.410 -2.586 127 2HB ALA 21 2HB ALA 21 -2.346 5.239 -1.415 128 3HB ALA 21 3HB ALA 21 -0.631 5.206 -1.890 129 H TRP 22 H TRP 22 -3.857 3.429 -2.131 130 HA TRP 22 HA TRP 22 -2.856 1.076 -0.958 131 1HB TRP 22 1HB TRP 22 -4.909 2.148 -0.332 132 2HB TRP 22 2HB TRP 22 -5.635 1.815 -1.892 133 HD1 TRP 22 HD1 TRP 22 -6.828 -0.401 -2.180 134 HE1 TRP 22 HE1 TRP 22 -7.617 -2.199 -0.472 135 HE3 TRP 22 HE3 TRP 22 -3.922 0.884 1.779 136 HZ2 TRP 22 HZ2 TRP 22 -6.811 -3.148 2.133 137 HZ3 TRP 22 HZ3 TRP 22 -4.145 -0.297 3.952 138 HH2 TRP 22 HH2 TRP 22 -5.481 -2.329 4.124 139 H ASP 23 H ASP 23 -4.893 1.160 -3.986 140 HA ASP 23 HA ASP 23 -4.536 -1.572 -4.527 141 1HB ASP 23 1HB ASP 23 -5.357 0.807 -6.156 142 2HB ASP 23 2HB ASP 23 -4.997 -0.713 -6.947 143 H TYR 24 H TYR 24 -2.389 1.133 -5.446 144 HA TYR 24 HA TYR 24 -0.839 -0.552 -7.180 145 1HB TYR 24 1HB TYR 24 -0.517 2.217 -6.015 146 2HB TYR 24 2HB TYR 24 0.834 1.421 -6.804 147 HD1 TYR 24 HD1 TYR 24 -2.876 1.992 -7.503 148 HD2 TYR 24 HD2 TYR 24 1.141 1.851 -9.078 149 HE1 TYR 24 HE1 TYR 24 -3.732 2.633 -9.686 150 HE2 TYR 24 HE2 TYR 24 0.262 2.364 -11.332 151 HH TYR 24 HH TYR 24 -3.046 2.350 -12.129 152 H CYS 25 H CYS 25 -0.446 0.584 -3.778 153 HA CYS 25 HA CYS 25 1.955 -0.814 -3.166 154 1HB CYS 25 1HB CYS 25 -0.432 -0.196 -1.387 155 2HB CYS 25 2HB CYS 25 1.122 -0.785 -0.811 156 H THR 26 H THR 26 -1.447 -1.913 -3.079 157 HA THR 26 HA THR 26 -0.904 -4.361 -1.698 158 HB THR 26 HB THR 26 -3.185 -4.754 -1.813 159 HG1 THR 26 HG1 THR 26 -4.519 -3.534 -3.205 160 1HG2 THR 26 1HG2 THR 26 -3.900 -2.011 -1.631 161 2HG2 THR 26 2HG2 THR 26 -3.605 -3.085 -0.316 162 3HG2 THR 26 3HG2 THR 26 -2.277 -2.157 -0.924 163 H ASN 27 H ASN 27 -0.213 -3.504 -4.866 164 HA ASN 27 HA ASN 27 0.491 -4.593 -6.721 165 1HB ASN 27 1HB ASN 27 1.606 -6.324 -5.496 166 2HB ASN 27 2HB ASN 27 0.137 -7.108 -5.096 167 1HD2 ASN 27 1HD2 ASN 27 2.627 -6.893 -7.407 168 2HD2 ASN 27 2HD2 ASN 27 1.956 -7.966 -8.610 169 H TYR 28 H TYR 28 -2.572 -4.422 -5.551 170 HA TYR 28 HA TYR 28 -4.137 -6.069 -7.116 171 1HB TYR 28 1HB TYR 28 -4.870 -4.563 -5.279 172 2HB TYR 28 2HB TYR 28 -4.659 -3.179 -6.375 173 HD1 TYR 28 HD1 TYR 28 -6.379 -2.459 -7.723 174 HD2 TYR 28 HD2 TYR 28 -6.594 -6.345 -5.919 175 HE1 TYR 28 HE1 TYR 28 -8.692 -2.612 -8.458 176 HE2 TYR 28 HE2 TYR 28 -8.995 -6.476 -6.468 177 HH TYR 28 HH TYR 28 -10.964 -4.573 -7.136 178 H ILE 29 H ILE 29 -2.358 -3.168 -8.055 179 HA ILE 29 HA ILE 29 -3.300 -3.395 -10.845 180 HB ILE 29 HB ILE 29 -2.444 -0.933 -9.299 181 1HG1 ILE 29 1HG1 ILE 29 -4.738 -1.796 -8.816 182 2HG1 ILE 29 2HG1 ILE 29 -4.691 -0.201 -9.435 183 1HG2 ILE 29 1HG2 ILE 29 -3.154 0.235 -11.444 184 2HG2 ILE 29 2HG2 ILE 29 -1.631 -0.669 -11.536 185 3HG2 ILE 29 3HG2 ILE 29 -3.116 -1.345 -12.241 186 1HD1 ILE 29 1HD1 ILE 29 -5.445 -1.017 -11.664 187 2HD1 ILE 29 2HD1 ILE 29 -5.451 -2.683 -11.022 188 3HD1 ILE 29 3HD1 ILE 29 -6.564 -1.471 -10.369 189 H VAL 30 H VAL 30 -1.667 -4.004 -12.124 190 HA VAL 30 HA VAL 30 0.855 -4.736 -11.027 191 HB VAL 30 HB VAL 30 1.333 -5.165 -13.567 192 1HG1 VAL 30 1HG1 VAL 30 1.231 -6.779 -11.747 193 2HG1 VAL 30 2HG1 VAL 30 -0.538 -6.754 -11.775 194 3HG1 VAL 30 3HG1 VAL 30 0.363 -7.415 -13.161 195 1HG2 VAL 30 1HG2 VAL 30 -1.707 -5.342 -13.572 196 2HG2 VAL 30 2HG2 VAL 30 -0.775 -4.060 -14.387 197 3HG2 VAL 30 3HG2 VAL 30 -0.582 -5.748 -14.883 198 H ASN 31 H ASN 31 2.174 -3.334 -10.366 199 HA ASN 31 HA ASN 31 3.295 -1.245 -12.149 200 1HB ASN 31 1HB ASN 31 2.895 0.557 -10.761 201 2HB ASN 31 2HB ASN 31 1.343 -0.271 -10.784 202 1HD2 ASN 31 1HD2 ASN 31 1.046 -1.912 -8.845 203 2HD2 ASN 31 2HD2 ASN 31 1.651 -1.354 -7.308 204 H SER 32 H SER 32 3.869 -3.726 -9.929 205 HA SER 32 HA SER 32 5.714 -4.617 -9.145 206 1HB SER 32 1HB SER 32 7.101 -2.661 -11.010 207 2HB SER 32 2HB SER 32 7.796 -4.135 -10.325 208 HG SER 32 HG SER 32 5.834 -3.815 -12.299 209 H SER 33 H SER 33 5.540 -1.205 -8.532 210 HA SER 33 HA SER 33 7.585 -0.829 -6.640 211 1HB SER 33 1HB SER 33 5.820 0.721 -7.780 212 2HB SER 33 2HB SER 33 4.731 0.196 -6.489 213 HG SER 33 HG SER 33 5.672 2.131 -6.108 214 H CYS 34 H CYS 34 4.514 -2.411 -6.479 215 HA CYS 34 HA CYS 34 3.533 -2.383 -4.012 216 1HB CYS 34 1HB CYS 34 2.512 -4.628 -4.617 217 2HB CYS 34 2HB CYS 34 2.448 -3.405 -5.890 218 H GLY 35 H GLY 35 3.327 -3.865 -2.258 219 1HA GLY 35 1HA GLY 35 4.242 -5.764 -1.014 220 2HA GLY 35 2HA GLY 35 5.853 -5.266 -1.542 221 H GLU 36 H GLU 36 6.030 -5.398 0.954 222 HA GLU 36 HA GLU 36 4.582 -3.633 2.661 223 1HB GLU 36 1HB GLU 36 6.109 -4.301 4.355 224 2HB GLU 36 2HB GLU 36 5.738 -5.703 3.340 225 1HG GLU 36 1HG GLU 36 8.009 -4.803 2.118 226 2HG GLU 36 2HG GLU 36 8.310 -4.233 3.756 227 H ILE 37 H ILE 37 7.599 -3.205 0.899 228 HA ILE 37 HA ILE 37 8.504 -0.766 2.001 229 HB ILE 37 HB ILE 37 8.730 -1.926 -0.805 230 1HG1 ILE 37 1HG1 ILE 37 10.353 -2.105 1.768 231 2HG1 ILE 37 2HG1 ILE 37 9.652 -3.414 0.826 232 1HG2 ILE 37 1HG2 ILE 37 9.153 0.603 -0.761 233 2HG2 ILE 37 2HG2 ILE 37 10.442 0.275 0.420 234 3HG2 ILE 37 3HG2 ILE 37 10.520 -0.381 -1.224 235 1HD1 ILE 37 1HD1 ILE 37 12.017 -1.695 0.083 236 2HD1 ILE 37 2HD1 ILE 37 12.019 -3.409 0.506 237 3HD1 ILE 37 3HD1 ILE 37 11.241 -2.878 -1.012 238 H CYS 38 H CYS 38 6.180 -1.396 -0.678 239 HA CYS 38 HA CYS 38 5.881 1.373 -1.352 240 1HB CYS 38 1HB CYS 38 5.345 -0.758 -2.716 241 2HB CYS 38 2HB CYS 38 3.823 -0.804 -1.836 242 H CYS 39 H CYS 39 4.094 -0.878 0.810 243 HA CYS 39 HA CYS 39 2.103 0.932 1.702 244 1HB CYS 39 1HB CYS 39 3.554 -1.134 3.380 245 2HB CYS 39 2HB CYS 39 1.952 -0.486 3.610 246 H ASN 40 H ASN 40 5.415 0.275 2.992 247 HA ASN 40 HA ASN 40 5.381 2.058 5.150 248 1HB ASN 40 1HB ASN 40 7.436 0.609 3.493 249 2HB ASN 40 2HB ASN 40 8.029 1.964 4.378 250 1HD2 ASN 40 1HD2 ASN 40 5.373 -0.230 5.545 251 2HD2 ASN 40 2HD2 ASN 40 6.410 -1.080 6.668 252 H ASP 41 H ASP 41 6.279 2.647 1.712 253 HA ASP 41 HA ASP 41 7.428 5.200 2.260 254 1HB ASP 41 1HB ASP 41 7.270 3.403 0.007 255 2HB ASP 41 2HB ASP 41 6.709 4.961 -0.537 256 H CYS 42 H CYS 42 4.205 4.344 2.192 257 HA CYS 42 HA CYS 42 3.267 7.035 1.266 258 1HB CYS 42 1HB CYS 42 1.975 4.340 0.729 259 2HB CYS 42 2HB CYS 42 1.401 5.912 0.206 260 H PHE 43 H PHE 43 2.438 4.115 3.156 261 HA PHE 43 HA PHE 43 0.378 5.598 4.678 262 1HB PHE 43 1HB PHE 43 1.057 2.621 4.373 263 2HB PHE 43 2HB PHE 43 -0.044 3.237 5.590 264 HD1 PHE 43 HD1 PHE 43 -1.986 4.647 4.875 265 HD2 PHE 43 HD2 PHE 43 0.229 2.224 2.114 266 HE1 PHE 43 HE1 PHE 43 -3.869 4.816 3.244 267 HE2 PHE 43 HE2 PHE 43 -1.631 2.340 0.495 268 HZ PHE 43 HZ PHE 43 -3.711 3.614 1.057 269 H ASP 44 H ASP 44 0.418 5.471 6.940 270 HA ASP 44 HA ASP 44 2.994 5.626 8.208 271 1HB ASP 44 1HB ASP 44 0.366 6.285 8.878 272 2HB ASP 44 2HB ASP 44 0.638 4.965 9.891 273 H GLU 45 H GLU 45 3.148 4.176 10.285 274 HA GLU 45 HA GLU 45 3.669 1.552 9.158 275 1HB GLU 45 1HB GLU 45 4.927 2.899 11.086 276 2HB GLU 45 2HB GLU 45 3.874 1.937 12.112 277 1HG GLU 45 1HG GLU 45 4.962 0.137 10.148 278 2HG GLU 45 2HG GLU 45 6.299 1.180 10.637 279 H THR 46 H THR 46 1.142 2.883 11.264 280 HA THR 46 HA THR 46 0.038 0.295 12.025 281 HB THR 46 HB THR 46 -1.037 3.135 12.170 282 HG1 THR 46 HG1 THR 46 -0.390 2.960 14.274 283 1HG2 THR 46 1HG2 THR 46 -3.015 1.870 12.213 284 2HG2 THR 46 2HG2 THR 46 -2.286 0.593 13.228 285 3HG2 THR 46 3HG2 THR 46 -2.622 2.213 13.890 286 H GLY 47 H GLY 47 -0.783 2.814 9.635 287 1HA GLY 47 1HA GLY 47 -2.995 1.616 8.324 288 2HA GLY 47 2HA GLY 47 -1.822 2.723 7.594 289 H THR 48 H THR 48 0.521 1.461 7.612 290 HA THR 48 HA THR 48 0.567 -0.233 5.492 291 HB THR 48 HB THR 48 2.460 0.261 7.802 292 HG1 THR 48 HG1 THR 48 2.616 1.790 6.357 293 1HG2 THR 48 1HG2 THR 48 4.163 -1.057 6.967 294 2HG2 THR 48 2HG2 THR 48 2.818 -2.143 7.176 295 3HG2 THR 48 3HG2 THR 48 3.235 -1.582 5.539 296 H GLY 49 H GLY 49 0.226 -1.365 8.955 297 1HA GLY 49 1HA GLY 49 0.612 -4.070 8.369 298 2HA GLY 49 2HA GLY 49 -0.448 -3.454 9.658 299 H ALA 50 H ALA 50 -2.283 -2.142 7.668 300 HA ALA 50 HA ALA 50 -4.005 -4.442 6.986 301 1HB ALA 50 1HB ALA 50 -5.540 -2.679 6.291 302 2HB ALA 50 2HB ALA 50 -4.824 -2.185 7.830 303 3HB ALA 50 3HB ALA 50 -4.235 -1.457 6.324 304 H CYS 51 H CYS 51 -2.184 -1.897 5.235 305 HA CYS 51 HA CYS 51 -2.945 -2.694 2.647 306 1HB CYS 51 1HB CYS 51 -2.045 -0.497 3.479 307 2HB CYS 51 2HB CYS 51 -0.440 -1.230 3.540 308 H ARG 52 H ARG 52 -0.313 -3.658 4.818 309 HA ARG 52 HA ARG 52 1.132 -5.145 2.983 310 1HB ARG 52 1HB ARG 52 0.909 -5.508 5.990 311 2HB ARG 52 2HB ARG 52 1.933 -6.496 4.928 312 1HG ARG 52 1HG ARG 52 3.152 -4.478 4.174 313 2HG ARG 52 2HG ARG 52 2.115 -3.504 5.170 314 1HD ARG 52 1HD ARG 52 4.115 -3.726 6.398 315 2HD ARG 52 2HD ARG 52 2.970 -4.844 7.169 316 HE ARG 52 HE ARG 52 4.770 -5.959 5.101 317 1HH1 ARG 52 2HH2 ARG 52 4.411 -5.191 8.575 318 2HH1 ARG 52 1HH2 ARG 52 5.715 -6.226 9.053 319 1HH2 ARG 52 2HH1 ARG 52 6.608 -7.199 5.779 320 2HH2 ARG 52 1HH1 ARG 52 6.884 -7.525 7.429 321 H ALA 53 H ALA 53 -1.548 -6.180 5.148 322 HA ALA 53 HA ALA 53 -1.522 -8.928 4.435 323 1HB ALA 53 1HB ALA 53 -3.033 -8.072 6.196 324 2HB ALA 53 2HB ALA 53 -3.989 -7.222 4.965 325 3HB ALA 53 3HB ALA 53 -3.928 -8.985 4.951 326 H GLN 54 H GLN 54 -3.263 -6.226 2.902 327 HA GLN 54 HA GLN 54 -4.374 -7.697 0.744 328 1HB GLN 54 1HB GLN 54 -4.881 -5.295 1.673 329 2HB GLN 54 2HB GLN 54 -3.562 -4.826 0.667 330 1HG GLN 54 1HG GLN 54 -5.448 -4.354 -0.628 331 2HG GLN 54 2HG GLN 54 -4.931 -5.889 -1.312 332 1HE2 GLN 54 1HE2 GLN 54 -7.167 -6.520 -2.092 333 2HE2 GLN 54 2HE2 GLN 54 -8.346 -6.909 -0.885 334 H ALA 55 H ALA 55 -1.002 -6.855 1.127 335 HA ALA 55 HA ALA 55 -0.557 -7.354 -1.793 336 1HB ALA 55 1HB ALA 55 1.781 -6.711 -1.348 337 2HB ALA 55 2HB ALA 55 0.677 -5.413 -0.853 338 3HB ALA 55 3HB ALA 55 1.387 -6.469 0.373 339 H PHE 56 H PHE 56 0.370 -8.385 1.428 340 HA PHE 56 HA PHE 56 2.189 -10.370 1.009 341 1HB PHE 56 1HB PHE 56 1.489 -9.284 3.212 342 2HB PHE 56 2HB PHE 56 0.007 -10.156 3.134 343 HD1 PHE 56 HD1 PHE 56 3.551 -11.435 2.489 344 HD2 PHE 56 HD2 PHE 56 -0.093 -11.723 4.839 345 HE1 PHE 56 HE1 PHE 56 4.397 -13.443 3.624 346 HE2 PHE 56 HE2 PHE 56 0.795 -13.737 5.943 347 HZ PHE 56 HZ PHE 56 3.051 -14.607 5.340 348 H GLY 57 H GLY 57 -1.237 -10.756 1.518 349 1HA GLY 57 1HA GLY 57 -1.174 -13.575 0.419 350 2HA GLY 57 2HA GLY 57 -1.982 -13.161 1.941 351 H ASN 58 H ASN 58 -1.946 -11.429 -1.207 352 HA ASN 58 HA ASN 58 -4.820 -11.991 -1.624 353 1HB ASN 58 1HB ASN 58 -4.908 -10.022 -0.274 354 2HB ASN 58 2HB ASN 58 -3.555 -9.336 -1.136 355 1HD2 ASN 58 1HD2 ASN 58 -4.210 -7.651 -2.477 356 2HD2 ASN 58 2HD2 ASN 58 -5.547 -7.804 -3.608 357 H SER 59 H SER 59 -2.595 -9.518 -3.015 358 HA SER 59 HA SER 59 -2.916 -10.857 -5.636 359 1HB SER 59 1HB SER 59 -2.385 -8.020 -4.762 360 2HB SER 59 2HB SER 59 -2.152 -8.540 -6.423 361 HG SER 59 HG SER 59 -4.321 -9.395 -6.312 362 H CYS 60 H CYS 60 -0.207 -8.915 -4.234 363 HA CYS 60 HA CYS 60 1.726 -9.796 -5.890 364 1HB CYS 60 1HB CYS 60 1.530 -8.102 -3.790 365 2HB CYS 60 2HB CYS 60 2.452 -9.376 -3.007 366 H LEU 61 H LEU 61 3.222 -11.407 -6.026 367 HA LEU 61 HA LEU 61 2.835 -13.926 -4.642 368 1HB LEU 61 1HB LEU 61 4.982 -12.802 -6.466 369 2HB LEU 61 2HB LEU 61 5.289 -14.279 -5.569 370 HG LEU 61 HG LEU 61 4.531 -14.573 -7.928 371 1HD1 LEU 61 1HD1 LEU 61 2.820 -15.919 -5.826 372 2HD1 LEU 61 2HD1 LEU 61 3.088 -16.490 -7.478 373 3HD1 LEU 61 3HD1 LEU 61 4.442 -16.408 -6.332 374 1HD2 LEU 61 1HD2 LEU 61 1.778 -13.784 -6.903 375 2HD2 LEU 61 2HD2 LEU 61 2.770 -12.861 -8.060 376 3HD2 LEU 61 3HD2 LEU 61 2.162 -14.474 -8.479 377 H ASN 62 H ASN 62 5.222 -11.247 -4.324 378 HA ASN 62 HA ASN 62 5.829 -12.167 -1.546 379 1HB ASN 62 1HB ASN 62 7.808 -11.414 -3.729 380 2HB ASN 62 2HB ASN 62 8.167 -11.345 -2.006 381 1HD2 ASN 62 1HD2 ASN 62 7.280 -13.636 -4.637 382 2HD2 ASN 62 2HD2 ASN 62 7.808 -15.049 -3.762 383 H TRP 63 H TRP 63 5.116 -10.589 -0.267 384 HA TRP 63 HA TRP 63 4.880 -7.808 -0.999 385 1HB TRP 63 1HB TRP 63 4.773 -7.403 1.387 386 2HB TRP 63 2HB TRP 63 3.599 -8.625 0.898 387 HD1 TRP 63 HD1 TRP 63 6.722 -10.430 1.305 388 HE1 TRP 63 HE1 TRP 63 7.151 -11.255 3.675 389 HE3 TRP 63 HE3 TRP 63 3.149 -7.784 3.758 390 HZ2 TRP 63 HZ2 TRP 63 5.884 -11.093 6.259 391 HZ3 TRP 63 HZ3 TRP 63 2.761 -8.154 6.221 392 HH2 TRP 63 HH2 TRP 63 4.116 -9.820 7.447 Start of MODEL 4 1 1H THR 1 1H THR 1 -8.421 -2.830 11.323 2 HA THR 1 HA THR 1 -8.055 -0.441 11.615 3 HB THR 1 HB THR 1 -5.433 -1.246 12.003 4 HG1 THR 1 HG1 THR 1 -6.632 1.317 11.723 5 1HG2 THR 1 1HG2 THR 1 -4.088 0.129 10.532 6 2HG2 THR 1 2HG2 THR 1 -4.950 -1.019 9.520 7 3HG2 THR 1 3HG2 THR 1 -5.479 0.676 9.616 8 H ASP 2 H ASP 2 -7.908 1.038 9.667 9 HA ASP 2 HA ASP 2 -8.157 -0.465 7.103 10 1HB ASP 2 1HB ASP 2 -9.862 1.627 8.433 11 2HB ASP 2 2HB ASP 2 -10.003 1.311 6.696 12 HA PRO 3 HA PRO 3 -5.373 2.591 5.599 13 1HB PRO 3 1HB PRO 3 -6.326 3.117 3.018 14 2HB PRO 3 2HB PRO 3 -5.343 1.735 3.535 15 1HG PRO 3 1HG PRO 3 -8.294 1.870 3.003 16 2HG PRO 3 2HG PRO 3 -7.206 0.512 2.738 17 1HD PRO 3 1HD PRO 3 -8.941 0.775 4.889 18 2HD PRO 3 2HD PRO 3 -7.462 -0.225 4.915 19 H GLU 4 H GLU 4 -8.732 3.345 5.523 20 HA GLU 4 HA GLU 4 -8.854 5.774 4.306 21 1HB GLU 4 1HB GLU 4 -10.778 4.464 5.046 22 2HB GLU 4 2HB GLU 4 -10.435 4.881 6.739 23 1HG GLU 4 1HG GLU 4 -11.126 7.118 6.446 24 2HG GLU 4 2HG GLU 4 -10.830 7.098 4.703 25 H GLU 5 H GLU 5 -8.241 5.381 7.837 26 HA GLU 5 HA GLU 5 -7.970 8.277 8.077 27 1HB GLU 5 1HB GLU 5 -8.316 8.063 10.326 28 2HB GLU 5 2HB GLU 5 -9.334 6.811 9.583 29 1HG GLU 5 1HG GLU 5 -7.824 5.092 10.218 30 2HG GLU 5 2HG GLU 5 -6.722 6.272 10.962 31 H HIS 6 H HIS 6 -5.801 6.288 6.874 32 HA HIS 6 HA HIS 6 -3.489 7.138 8.523 33 1HB HIS 6 1HB HIS 6 -4.179 4.471 7.237 34 2HB HIS 6 2HB HIS 6 -2.591 4.890 7.888 35 HD1 HIS 6 HD1 HIS 6 -2.438 5.288 10.551 36 HD2 HIS 6 HD2 HIS 6 -6.252 4.213 9.135 37 HE1 HIS 6 HE1 HIS 6 -3.689 4.371 12.552 38 H PHE 7 H PHE 7 -2.378 8.535 7.345 39 HA PHE 7 HA PHE 7 -1.299 7.647 4.736 40 1HB PHE 7 1HB PHE 7 -3.066 9.900 5.024 41 2HB PHE 7 2HB PHE 7 -1.470 10.543 4.773 42 HD1 PHE 7 HD1 PHE 7 -4.359 9.848 3.085 43 HD2 PHE 7 HD2 PHE 7 -0.131 8.987 2.766 44 HE1 PHE 7 HE1 PHE 7 -4.575 9.547 0.638 45 HE2 PHE 7 HE2 PHE 7 -0.358 8.792 0.334 46 HZ PHE 7 HZ PHE 7 -2.605 8.934 -0.721 47 H ASP 8 H ASP 8 0.922 7.830 4.736 48 HA ASP 8 HA ASP 8 2.052 10.146 5.947 49 1HB ASP 8 1HB ASP 8 2.173 8.521 7.888 50 2HB ASP 8 2HB ASP 8 3.310 7.567 6.957 51 HA PRO 9 HA PRO 9 3.700 8.581 1.940 52 1HB PRO 9 1HB PRO 9 3.351 10.942 0.484 53 2HB PRO 9 2HB PRO 9 2.229 9.587 0.591 54 1HG PRO 9 1HG PRO 9 2.029 12.269 1.819 55 2HG PRO 9 2HG PRO 9 0.756 11.056 1.593 56 1HD PRO 9 1HD PRO 9 2.312 11.652 3.978 57 2HD PRO 9 2HD PRO 9 0.958 10.515 3.818 58 H ASN 10 H ASN 10 5.790 8.468 1.757 59 HA ASN 10 HA ASN 10 7.582 10.804 2.121 60 1HB ASN 10 1HB ASN 10 8.275 8.035 1.091 61 2HB ASN 10 2HB ASN 10 9.385 9.262 1.672 62 1HD2 ASN 10 1HD2 ASN 10 8.874 6.443 2.559 63 2HD2 ASN 10 2HD2 ASN 10 8.258 6.447 4.199 64 H THR 11 H THR 11 9.264 10.862 0.027 65 HA THR 11 HA THR 11 7.598 12.104 -1.924 66 HB THR 11 HB THR 11 9.775 12.563 -3.052 67 HG1 THR 11 HG1 THR 11 11.046 10.795 -2.286 68 1HG2 THR 11 1HG2 THR 11 9.660 13.182 -0.066 69 2HG2 THR 11 2HG2 THR 11 10.574 14.071 -1.288 70 3HG2 THR 11 3HG2 THR 11 8.796 14.072 -1.350 71 H ASN 12 H ASN 12 8.229 8.814 -1.786 72 HA ASN 12 HA ASN 12 8.234 8.411 -4.715 73 1HB ASN 12 1HB ASN 12 8.444 6.059 -4.215 74 2HB ASN 12 2HB ASN 12 9.697 6.942 -3.338 75 1HD2 ASN 12 1HD2 ASN 12 7.989 4.244 -2.818 76 2HD2 ASN 12 2HD2 ASN 12 7.374 4.559 -1.198 77 H CYS 13 H CYS 13 5.999 8.441 -1.834 78 HA CYS 13 HA CYS 13 3.803 7.389 -3.377 79 1HB CYS 13 1HB CYS 13 4.003 7.346 -0.888 80 2HB CYS 13 2HB CYS 13 3.822 9.101 -0.915 81 H ASP 14 H ASP 14 3.639 8.526 -5.278 82 HA ASP 14 HA ASP 14 3.377 11.418 -5.522 83 1HB ASP 14 1HB ASP 14 2.590 8.994 -7.204 84 2HB ASP 14 2HB ASP 14 2.056 10.601 -7.615 85 H TYR 15 H TYR 15 1.300 8.587 -4.944 86 HA TYR 15 HA TYR 15 -1.113 9.955 -5.780 87 1HB TYR 15 1HB TYR 15 -0.674 7.258 -4.499 88 2HB TYR 15 2HB TYR 15 -2.221 7.842 -5.133 89 HD1 TYR 15 HD1 TYR 15 -2.381 8.404 -7.617 90 HD2 TYR 15 HD2 TYR 15 0.878 6.261 -5.847 91 HE1 TYR 15 HE1 TYR 15 -1.641 7.698 -9.883 92 HE2 TYR 15 HE2 TYR 15 1.559 5.390 -8.081 93 HH TYR 15 HH TYR 15 1.095 5.475 -10.434 94 H THR 16 H THR 16 -2.084 11.426 -4.490 95 HA THR 16 HA THR 16 -2.046 11.018 -1.551 96 HB THR 16 HB THR 16 -2.529 13.281 -1.294 97 HG1 THR 16 HG1 THR 16 -3.899 13.492 -3.002 98 1HG2 THR 16 1HG2 THR 16 -0.419 13.151 -3.503 99 2HG2 THR 16 2HG2 THR 16 -0.541 14.346 -2.197 100 3HG2 THR 16 3HG2 THR 16 -0.140 12.667 -1.817 101 H ASN 17 H ASN 17 -3.617 9.253 -3.025 102 HA ASN 17 HA ASN 17 -6.194 9.913 -1.791 103 1HB ASN 17 1HB ASN 17 -6.296 8.338 -4.340 104 2HB ASN 17 2HB ASN 17 -7.610 9.070 -3.444 105 1HD2 ASN 17 1HD2 ASN 17 -4.767 9.825 -5.342 106 2HD2 ASN 17 2HD2 ASN 17 -5.319 11.301 -6.095 107 H SER 18 H SER 18 -6.912 8.177 -0.666 108 HA SER 18 HA SER 18 -5.273 6.120 0.227 109 1HB SER 18 1HB SER 18 -7.488 5.200 1.066 110 2HB SER 18 2HB SER 18 -7.156 6.889 1.479 111 HG SER 18 HG SER 18 -9.271 6.681 0.713 112 H GLN 19 H GLN 19 -8.063 5.723 -1.971 113 HA GLN 19 HA GLN 19 -7.714 3.027 -2.483 114 1HB GLN 19 1HB GLN 19 -9.745 4.403 -3.048 115 2HB GLN 19 2HB GLN 19 -8.884 5.048 -4.426 116 1HG GLN 19 1HG GLN 19 -10.227 3.384 -5.341 117 2HG GLN 19 2HG GLN 19 -8.657 2.602 -5.255 118 1HE2 GLN 19 1HE2 GLN 19 -8.587 0.551 -4.142 119 2HE2 GLN 19 2HE2 GLN 19 -9.988 -0.048 -3.266 120 H ASP 20 H ASP 20 -6.465 5.684 -4.685 121 HA ASP 20 HA ASP 20 -5.394 3.731 -6.537 122 1HB ASP 20 1HB ASP 20 -5.143 6.732 -6.183 123 2HB ASP 20 2HB ASP 20 -4.032 5.870 -7.254 124 H ALA 21 H ALA 21 -3.776 5.663 -3.946 125 HA ALA 21 HA ALA 21 -1.220 4.505 -4.287 126 1HB ALA 21 1HB ALA 21 -0.801 5.091 -2.027 127 2HB ALA 21 2HB ALA 21 -1.667 6.397 -2.843 128 3HB ALA 21 3HB ALA 21 -2.559 5.332 -1.721 129 H TRP 22 H TRP 22 -3.885 3.366 -2.149 130 HA TRP 22 HA TRP 22 -2.694 1.075 -1.128 131 1HB TRP 22 1HB TRP 22 -4.794 1.978 -0.297 132 2HB TRP 22 2HB TRP 22 -5.588 1.692 -1.829 133 HD1 TRP 22 HD1 TRP 22 -6.480 -0.726 -2.360 134 HE1 TRP 22 HE1 TRP 22 -7.254 -2.580 -0.775 135 HE3 TRP 22 HE3 TRP 22 -4.060 0.782 1.873 136 HZ2 TRP 22 HZ2 TRP 22 -6.742 -3.399 1.991 137 HZ3 TRP 22 HZ3 TRP 22 -4.350 -0.465 4.023 138 HH2 TRP 22 HH2 TRP 22 -5.575 -2.566 4.050 139 H ASP 23 H ASP 23 -4.798 1.306 -4.079 140 HA ASP 23 HA ASP 23 -4.921 -1.364 -4.728 141 1HB ASP 23 1HB ASP 23 -4.929 1.114 -6.492 142 2HB ASP 23 2HB ASP 23 -5.147 -0.498 -7.144 143 H TYR 24 H TYR 24 -2.508 0.992 -6.018 144 HA TYR 24 HA TYR 24 -1.040 -0.966 -7.488 145 1HB TYR 24 1HB TYR 24 -0.438 1.717 -6.373 146 2HB TYR 24 2HB TYR 24 0.729 0.927 -7.361 147 HD1 TYR 24 HD1 TYR 24 -3.010 1.911 -7.756 148 HD2 TYR 24 HD2 TYR 24 0.964 1.723 -9.487 149 HE1 TYR 24 HE1 TYR 24 -3.769 3.239 -9.625 150 HE2 TYR 24 HE2 TYR 24 0.153 2.989 -11.433 151 HH TYR 24 HH TYR 24 -2.874 4.694 -11.398 152 H CYS 25 H CYS 25 -0.500 0.526 -4.198 153 HA CYS 25 HA CYS 25 1.886 -0.769 -3.495 154 1HB CYS 25 1HB CYS 25 -0.517 -0.060 -1.765 155 2HB CYS 25 2HB CYS 25 1.015 -0.632 -1.126 156 H THR 26 H THR 26 -1.400 -2.025 -3.401 157 HA THR 26 HA THR 26 -0.718 -4.483 -1.945 158 HB THR 26 HB THR 26 -2.981 -4.805 -1.758 159 HG1 THR 26 HG1 THR 26 -3.425 -2.380 -3.132 160 1HG2 THR 26 1HG2 THR 26 -3.558 -2.781 -0.468 161 2HG2 THR 26 2HG2 THR 26 -1.928 -3.433 -0.165 162 3HG2 THR 26 3HG2 THR 26 -2.109 -1.993 -1.091 163 H ASN 27 H ASN 27 -0.122 -3.642 -5.031 164 HA ASN 27 HA ASN 27 0.169 -4.568 -6.994 165 1HB ASN 27 1HB ASN 27 1.446 -6.310 -5.600 166 2HB ASN 27 2HB ASN 27 0.033 -7.355 -5.825 167 1HD2 ASN 27 1HD2 ASN 27 0.094 -8.635 -7.752 168 2HD2 ASN 27 2HD2 ASN 27 1.101 -8.253 -9.111 169 H TYR 28 H TYR 28 -2.561 -4.082 -5.972 170 HA TYR 28 HA TYR 28 -4.374 -5.966 -7.211 171 1HB TYR 28 1HB TYR 28 -4.843 -4.232 -5.406 172 2HB TYR 28 2HB TYR 28 -4.682 -3.000 -6.639 173 HD1 TYR 28 HD1 TYR 28 -6.477 -2.120 -7.679 174 HD2 TYR 28 HD2 TYR 28 -6.745 -6.108 -5.976 175 HE1 TYR 28 HE1 TYR 28 -8.858 -2.030 -7.927 176 HE2 TYR 28 HE2 TYR 28 -9.196 -6.001 -6.181 177 HH TYR 28 HH TYR 28 -10.788 -3.087 -6.532 178 H ILE 29 H ILE 29 -2.999 -2.796 -7.941 179 HA ILE 29 HA ILE 29 -3.277 -3.110 -10.875 180 HB ILE 29 HB ILE 29 -2.749 -0.738 -9.057 181 1HG1 ILE 29 1HG1 ILE 29 -5.130 -1.666 -9.387 182 2HG1 ILE 29 2HG1 ILE 29 -4.878 0.029 -9.608 183 1HG2 ILE 29 1HG2 ILE 29 -2.571 -0.929 -12.078 184 2HG2 ILE 29 2HG2 ILE 29 -2.795 0.604 -11.212 185 3HG2 ILE 29 3HG2 ILE 29 -1.328 -0.359 -10.947 186 1HD1 ILE 29 1HD1 ILE 29 -5.044 -2.008 -11.886 187 2HD1 ILE 29 2HD1 ILE 29 -6.385 -1.018 -11.295 188 3HD1 ILE 29 3HD1 ILE 29 -4.996 -0.234 -12.051 189 H VAL 30 H VAL 30 -1.584 -4.314 -11.570 190 HA VAL 30 HA VAL 30 0.905 -4.566 -10.229 191 HB VAL 30 HB VAL 30 1.597 -5.527 -12.475 192 1HG1 VAL 30 1HG1 VAL 30 0.783 -6.768 -10.568 193 2HG1 VAL 30 2HG1 VAL 30 -0.906 -6.594 -11.111 194 3HG1 VAL 30 3HG1 VAL 30 0.248 -7.516 -12.084 195 1HG2 VAL 30 1HG2 VAL 30 -0.064 -6.055 -14.147 196 2HG2 VAL 30 2HG2 VAL 30 -1.348 -5.244 -13.223 197 3HG2 VAL 30 3HG2 VAL 30 -0.034 -4.292 -13.936 198 H ASN 31 H ASN 31 2.786 -3.524 -10.473 199 HA ASN 31 HA ASN 31 2.950 -1.307 -12.419 200 1HB ASN 31 1HB ASN 31 3.419 0.412 -10.803 201 2HB ASN 31 2HB ASN 31 1.808 -0.249 -10.613 202 1HD2 ASN 31 1HD2 ASN 31 1.279 -1.467 -8.620 203 2HD2 ASN 31 2HD2 ASN 31 2.329 -1.181 -7.250 204 H SER 32 H SER 32 4.879 -2.434 -9.605 205 HA SER 32 HA SER 32 6.825 -3.918 -10.358 206 1HB SER 32 1HB SER 32 7.515 -1.329 -11.768 207 2HB SER 32 2HB SER 32 8.787 -2.389 -11.162 208 HG SER 32 HG SER 32 7.104 -2.770 -13.278 209 H SER 33 H SER 33 5.779 -1.525 -8.313 210 HA SER 33 HA SER 33 8.218 -1.511 -6.620 211 1HB SER 33 1HB SER 33 7.752 0.445 -8.238 212 2HB SER 33 2HB SER 33 6.296 0.747 -7.270 213 HG SER 33 HG SER 33 7.744 0.989 -5.456 214 H CYS 34 H CYS 34 5.814 -3.205 -6.381 215 HA CYS 34 HA CYS 34 4.254 -2.062 -4.110 216 1HB CYS 34 1HB CYS 34 2.746 -3.973 -4.562 217 2HB CYS 34 2HB CYS 34 2.977 -2.950 -5.979 218 H GLY 35 H GLY 35 3.635 -3.991 -2.403 219 1HA GLY 35 1HA GLY 35 4.428 -5.884 -1.200 220 2HA GLY 35 2HA GLY 35 6.093 -5.475 -1.608 221 H GLU 36 H GLU 36 6.187 -5.556 0.988 222 HA GLU 36 HA GLU 36 4.558 -3.836 2.475 223 1HB GLU 36 1HB GLU 36 5.998 -4.207 4.307 224 2HB GLU 36 2HB GLU 36 5.697 -5.700 3.409 225 1HG GLU 36 1HG GLU 36 7.985 -5.566 2.441 226 2HG GLU 36 2HG GLU 36 8.248 -4.039 3.323 227 H ILE 37 H ILE 37 7.693 -3.226 1.037 228 HA ILE 37 HA ILE 37 8.591 -0.837 2.046 229 HB ILE 37 HB ILE 37 8.588 -1.895 -0.777 230 1HG1 ILE 37 1HG1 ILE 37 10.588 -1.792 1.544 231 2HG1 ILE 37 2HG1 ILE 37 9.713 -3.219 0.976 232 1HG2 ILE 37 1HG2 ILE 37 10.059 0.557 0.290 233 2HG2 ILE 37 2HG2 ILE 37 10.389 -0.214 -1.271 234 3HG2 ILE 37 3HG2 ILE 37 8.845 0.551 -0.988 235 1HD1 ILE 37 1HD1 ILE 37 10.841 -2.997 -1.226 236 2HD1 ILE 37 2HD1 ILE 37 11.826 -1.692 -0.519 237 3HD1 ILE 37 3HD1 ILE 37 11.928 -3.333 0.137 238 H CYS 38 H CYS 38 6.145 -1.152 -0.582 239 HA CYS 38 HA CYS 38 5.976 1.708 -0.885 240 1HB CYS 38 1HB CYS 38 5.491 -0.223 -2.564 241 2HB CYS 38 2HB CYS 38 3.866 -0.262 -1.873 242 H CYS 39 H CYS 39 4.138 -0.705 1.046 243 HA CYS 39 HA CYS 39 2.092 1.139 1.922 244 1HB CYS 39 1HB CYS 39 3.312 -1.250 3.349 245 2HB CYS 39 2HB CYS 39 1.802 -0.448 3.706 246 H ASN 40 H ASN 40 5.317 0.132 3.162 247 HA ASN 40 HA ASN 40 5.376 1.686 5.517 248 1HB ASN 40 1HB ASN 40 7.359 0.275 3.715 249 2HB ASN 40 2HB ASN 40 7.990 1.369 4.885 250 1HD2 ASN 40 1HD2 ASN 40 5.022 -0.530 5.617 251 2HD2 ASN 40 2HD2 ASN 40 5.874 -1.693 6.629 252 H ASP 41 H ASP 41 5.886 2.694 2.196 253 HA ASP 41 HA ASP 41 6.836 5.299 3.098 254 1HB ASP 41 1HB ASP 41 7.110 3.580 0.643 255 2HB ASP 41 2HB ASP 41 7.282 5.305 0.489 256 H CYS 42 H CYS 42 3.884 4.090 2.455 257 HA CYS 42 HA CYS 42 2.904 6.753 1.478 258 1HB CYS 42 1HB CYS 42 1.583 4.087 0.962 259 2HB CYS 42 2HB CYS 42 1.074 5.682 0.438 260 H PHE 43 H PHE 43 2.602 4.110 3.785 261 HA PHE 43 HA PHE 43 0.379 5.447 5.203 262 1HB PHE 43 1HB PHE 43 0.894 2.484 4.732 263 2HB PHE 43 2HB PHE 43 -0.226 3.106 5.914 264 HD1 PHE 43 HD1 PHE 43 -2.418 3.958 5.304 265 HD2 PHE 43 HD2 PHE 43 0.320 2.623 2.218 266 HE1 PHE 43 HE1 PHE 43 -4.213 4.098 3.600 267 HE2 PHE 43 HE2 PHE 43 -1.487 2.757 0.574 268 HZ PHE 43 HZ PHE 43 -3.763 3.482 1.247 269 H ASP 44 H ASP 44 0.644 5.527 7.351 270 HA ASP 44 HA ASP 44 3.140 5.256 8.756 271 1HB ASP 44 1HB ASP 44 0.212 5.584 9.437 272 2HB ASP 44 2HB ASP 44 1.331 5.146 10.680 273 H GLU 45 H GLU 45 3.160 3.710 10.790 274 HA GLU 45 HA GLU 45 3.487 1.057 9.987 275 1HB GLU 45 1HB GLU 45 3.124 2.384 12.646 276 2HB GLU 45 2HB GLU 45 3.096 0.636 12.554 277 1HG GLU 45 1HG GLU 45 5.334 0.579 11.573 278 2HG GLU 45 2HG GLU 45 5.393 2.356 11.666 279 H THR 46 H THR 46 0.726 2.356 11.929 280 HA THR 46 HA THR 46 -0.610 -0.128 12.108 281 HB THR 46 HB THR 46 -1.427 2.760 12.513 282 HG1 THR 46 HG1 THR 46 -0.225 1.976 14.193 283 1HG2 THR 46 1HG2 THR 46 -3.500 1.740 11.897 284 2HG2 THR 46 2HG2 THR 46 -3.179 0.320 12.919 285 3HG2 THR 46 3HG2 THR 46 -3.470 1.934 13.640 286 H GLY 47 H GLY 47 -1.234 2.630 9.824 287 1HA GLY 47 1HA GLY 47 -3.281 1.333 8.331 288 2HA GLY 47 2HA GLY 47 -2.240 2.640 7.750 289 H THR 48 H THR 48 0.285 1.305 7.977 290 HA THR 48 HA THR 48 0.459 -0.162 5.596 291 HB THR 48 HB THR 48 2.272 0.376 7.954 292 HG1 THR 48 HG1 THR 48 2.618 1.711 6.334 293 1HG2 THR 48 1HG2 THR 48 2.576 -2.132 7.596 294 2HG2 THR 48 2HG2 THR 48 3.175 -1.692 5.983 295 3HG2 THR 48 3HG2 THR 48 3.954 -1.089 7.491 296 H GLY 49 H GLY 49 0.049 -1.376 8.999 297 1HA GLY 49 1HA GLY 49 0.577 -4.018 8.264 298 2HA GLY 49 2HA GLY 49 -0.396 -3.524 9.677 299 H ALA 50 H ALA 50 -2.354 -2.208 7.648 300 HA ALA 50 HA ALA 50 -4.015 -4.552 6.990 301 1HB ALA 50 1HB ALA 50 -5.576 -2.822 6.197 302 2HB ALA 50 2HB ALA 50 -4.957 -2.350 7.774 303 3HB ALA 50 3HB ALA 50 -4.299 -1.577 6.322 304 H CYS 51 H CYS 51 -2.142 -2.022 5.256 305 HA CYS 51 HA CYS 51 -2.927 -2.823 2.670 306 1HB CYS 51 1HB CYS 51 -2.206 -0.581 3.580 307 2HB CYS 51 2HB CYS 51 -0.537 -1.150 3.530 308 H ARG 52 H ARG 52 -0.242 -3.645 4.831 309 HA ARG 52 HA ARG 52 1.300 -5.170 3.051 310 1HB ARG 52 1HB ARG 52 0.993 -5.378 6.058 311 2HB ARG 52 2HB ARG 52 1.972 -6.481 5.067 312 1HG ARG 52 1HG ARG 52 3.235 -4.561 4.150 313 2HG ARG 52 2HG ARG 52 2.261 -3.490 5.110 314 1HD ARG 52 1HD ARG 52 4.345 -3.637 6.219 315 2HD ARG 52 2HD ARG 52 3.214 -4.586 7.172 316 HE ARG 52 HE ARG 52 4.935 -5.957 5.160 317 1HH1 ARG 52 2HH2 ARG 52 4.693 -4.960 8.544 318 2HH1 ARG 52 1HH2 ARG 52 5.475 -6.348 9.190 319 1HH2 ARG 52 2HH1 ARG 52 6.503 -7.477 6.029 320 2HH2 ARG 52 1HH1 ARG 52 6.301 -8.022 7.672 321 H ALA 53 H ALA 53 -1.291 -6.295 5.301 322 HA ALA 53 HA ALA 53 -1.344 -8.923 4.392 323 1HB ALA 53 1HB ALA 53 -3.710 -9.015 5.109 324 2HB ALA 53 2HB ALA 53 -2.753 -8.091 6.281 325 3HB ALA 53 3HB ALA 53 -3.799 -7.266 5.112 326 H GLN 54 H GLN 54 -2.906 -6.109 2.900 327 HA GLN 54 HA GLN 54 -4.133 -7.608 0.794 328 1HB GLN 54 1HB GLN 54 -4.709 -5.252 1.727 329 2HB GLN 54 2HB GLN 54 -3.444 -4.680 0.715 330 1HG GLN 54 1HG GLN 54 -5.501 -4.446 -0.505 331 2HG GLN 54 2HG GLN 54 -4.661 -5.786 -1.259 332 1HE2 GLN 54 1HE2 GLN 54 -6.997 -6.204 -2.009 333 2HE2 GLN 54 2HE2 GLN 54 -7.962 -7.253 -0.950 334 H ALA 55 H ALA 55 -0.776 -6.754 1.103 335 HA ALA 55 HA ALA 55 -0.450 -7.380 -1.817 336 1HB ALA 55 1HB ALA 55 1.927 -6.839 -1.491 337 2HB ALA 55 2HB ALA 55 0.923 -5.500 -0.889 338 3HB ALA 55 3HB ALA 55 1.666 -6.671 0.245 339 H PHE 56 H PHE 56 0.665 -8.315 1.387 340 HA PHE 56 HA PHE 56 2.346 -10.271 1.175 341 1HB PHE 56 1HB PHE 56 1.395 -9.220 3.301 342 2HB PHE 56 2HB PHE 56 -0.019 -10.220 3.092 343 HD1 PHE 56 HD1 PHE 56 0.193 -11.102 5.336 344 HD2 PHE 56 HD2 PHE 56 3.296 -11.822 2.399 345 HE1 PHE 56 HE1 PHE 56 1.212 -12.818 6.792 346 HE2 PHE 56 HE2 PHE 56 4.278 -13.504 3.868 347 HZ PHE 56 HZ PHE 56 3.289 -13.977 6.104 348 H GLY 57 H GLY 57 -1.055 -11.017 1.511 349 1HA GLY 57 1HA GLY 57 -0.623 -13.613 0.038 350 2HA GLY 57 2HA GLY 57 -1.641 -13.501 1.467 351 H ASN 58 H ASN 58 -1.944 -10.853 -0.685 352 HA ASN 58 HA ASN 58 -4.702 -11.824 -1.372 353 1HB ASN 58 1HB ASN 58 -4.923 -9.837 -0.120 354 2HB ASN 58 2HB ASN 58 -3.524 -9.153 -0.917 355 1HD2 ASN 58 1HD2 ASN 58 -4.049 -7.597 -2.513 356 2HD2 ASN 58 2HD2 ASN 58 -5.534 -7.628 -3.455 357 H SER 59 H SER 59 -2.410 -9.477 -2.938 358 HA SER 59 HA SER 59 -2.899 -11.000 -5.484 359 1HB SER 59 1HB SER 59 -3.921 -8.710 -5.365 360 2HB SER 59 2HB SER 59 -2.282 -8.052 -5.205 361 HG SER 59 HG SER 59 -2.478 -8.024 -7.320 362 H CYS 60 H CYS 60 -0.297 -9.548 -3.428 363 HA CYS 60 HA CYS 60 1.470 -9.581 -5.742 364 1HB CYS 60 1HB CYS 60 1.471 -7.914 -3.743 365 2HB CYS 60 2HB CYS 60 2.421 -9.147 -2.911 366 H LEU 61 H LEU 61 3.323 -10.905 -5.980 367 HA LEU 61 HA LEU 61 3.061 -13.610 -5.178 368 1HB LEU 61 1HB LEU 61 5.020 -12.009 -6.718 369 2HB LEU 61 2HB LEU 61 5.847 -13.122 -5.665 370 HG LEU 61 HG LEU 61 5.611 -14.163 -7.772 371 1HD1 LEU 61 1HD1 LEU 61 3.586 -15.474 -5.903 372 2HD1 LEU 61 2HD1 LEU 61 4.438 -16.232 -7.225 373 3HD1 LEU 61 3HD1 LEU 61 5.355 -15.650 -5.818 374 1HD2 LEU 61 1HD2 LEU 61 2.605 -13.748 -7.573 375 2HD2 LEU 61 2HD2 LEU 61 3.721 -12.883 -8.653 376 3HD2 LEU 61 3HD2 LEU 61 3.467 -14.626 -8.854 377 H ASN 62 H ASN 62 4.937 -10.901 -3.852 378 HA ASN 62 HA ASN 62 5.147 -12.207 -1.243 379 1HB ASN 62 1HB ASN 62 7.558 -11.275 -2.907 380 2HB ASN 62 2HB ASN 62 7.586 -11.508 -1.163 381 1HD2 ASN 62 1HD2 ASN 62 8.204 -13.100 -4.128 382 2HD2 ASN 62 2HD2 ASN 62 8.059 -14.745 -3.513 383 H TRP 63 H TRP 63 5.140 -10.597 0.325 384 HA TRP 63 HA TRP 63 4.918 -7.765 -0.463 385 1HB TRP 63 1HB TRP 63 4.945 -7.338 1.940 386 2HB TRP 63 2HB TRP 63 3.647 -8.406 1.464 387 HD1 TRP 63 HD1 TRP 63 6.519 -10.610 1.830 388 HE1 TRP 63 HE1 TRP 63 6.706 -11.660 4.134 389 HE3 TRP 63 HE3 TRP 63 3.085 -7.828 4.109 390 HZ2 TRP 63 HZ2 TRP 63 5.455 -11.298 6.756 391 HZ3 TRP 63 HZ3 TRP 63 2.507 -8.163 6.567 392 HH2 TRP 63 HH2 TRP 63 3.702 -9.887 7.869 Start of MODEL 5 1 1H THR 1 1H THR 1 -9.702 -1.525 10.684 2 HA THR 1 HA THR 1 -8.673 0.346 11.449 3 HB THR 1 HB THR 1 -6.424 -0.964 11.161 4 HG1 THR 1 HG1 THR 1 -6.347 1.853 11.277 5 1HG2 THR 1 1HG2 THR 1 -6.013 1.215 9.078 6 2HG2 THR 1 2HG2 THR 1 -4.783 0.161 9.778 7 3HG2 THR 1 3HG2 THR 1 -6.032 -0.530 8.733 8 H ASP 2 H ASP 2 -7.908 -0.296 8.000 9 HA ASP 2 HA ASP 2 -9.075 0.312 6.142 10 1HB ASP 2 1HB ASP 2 -10.877 1.414 7.705 11 2HB ASP 2 2HB ASP 2 -10.013 2.912 7.330 12 HA PRO 3 HA PRO 3 -5.497 2.861 5.083 13 1HB PRO 3 1HB PRO 3 -6.042 3.570 2.461 14 2HB PRO 3 2HB PRO 3 -5.513 1.939 2.957 15 1HG PRO 3 1HG PRO 3 -8.327 2.948 2.471 16 2HG PRO 3 2HG PRO 3 -7.568 1.454 1.835 17 1HD PRO 3 1HD PRO 3 -9.141 1.405 4.016 18 2HD PRO 3 2HD PRO 3 -7.673 0.422 3.962 19 H GLU 4 H GLU 4 -8.734 3.987 4.940 20 HA GLU 4 HA GLU 4 -8.525 6.608 4.153 21 1HB GLU 4 1HB GLU 4 -10.573 5.336 4.815 22 2HB GLU 4 2HB GLU 4 -10.149 5.632 6.528 23 1HG GLU 4 1HG GLU 4 -10.466 8.044 6.169 24 2HG GLU 4 2HG GLU 4 -10.468 7.849 4.420 25 H GLU 5 H GLU 5 -7.995 5.474 7.577 26 HA GLU 5 HA GLU 5 -7.485 8.276 8.234 27 1HB GLU 5 1HB GLU 5 -8.113 7.920 10.323 28 2HB GLU 5 2HB GLU 5 -9.127 6.784 9.422 29 1HG GLU 5 1HG GLU 5 -7.900 4.908 10.214 30 2HG GLU 5 2HG GLU 5 -6.648 5.969 10.924 31 H HIS 6 H HIS 6 -5.395 6.366 6.918 32 HA HIS 6 HA HIS 6 -3.093 6.976 8.686 33 1HB HIS 6 1HB HIS 6 -3.788 4.330 7.327 34 2HB HIS 6 2HB HIS 6 -2.300 4.670 8.199 35 HD1 HIS 6 HD1 HIS 6 -2.506 4.700 10.936 36 HD2 HIS 6 HD2 HIS 6 -6.138 4.112 8.852 37 HE1 HIS 6 HE1 HIS 6 -4.154 3.739 12.596 38 H PHE 7 H PHE 7 -1.758 8.244 7.326 39 HA PHE 7 HA PHE 7 -1.403 7.492 4.560 40 1HB PHE 7 1HB PHE 7 -3.681 8.689 4.737 41 2HB PHE 7 2HB PHE 7 -2.806 10.155 5.047 42 HD1 PHE 7 HD1 PHE 7 -0.602 8.504 2.748 43 HD2 PHE 7 HD2 PHE 7 -4.613 10.164 2.967 44 HE1 PHE 7 HE1 PHE 7 -0.791 8.388 0.333 45 HE2 PHE 7 HE2 PHE 7 -4.760 10.045 0.517 46 HZ PHE 7 HZ PHE 7 -2.910 8.916 -0.775 47 H ASP 8 H ASP 8 0.807 7.468 5.349 48 HA ASP 8 HA ASP 8 1.922 10.192 5.707 49 1HB ASP 8 1HB ASP 8 1.698 8.625 7.805 50 2HB ASP 8 2HB ASP 8 3.134 7.874 7.202 51 HA PRO 9 HA PRO 9 3.903 8.060 2.179 52 1HB PRO 9 1HB PRO 9 3.917 10.259 0.464 53 2HB PRO 9 2HB PRO 9 2.666 8.993 0.545 54 1HG PRO 9 1HG PRO 9 2.622 11.770 1.671 55 2HG PRO 9 2HG PRO 9 1.263 10.789 1.058 56 1HD PRO 9 1HD PRO 9 1.896 11.197 3.750 57 2HD PRO 9 2HD PRO 9 0.946 9.836 3.118 58 H ASN 10 H ASN 10 5.974 8.017 1.681 59 HA ASN 10 HA ASN 10 7.772 10.235 2.551 60 1HB ASN 10 1HB ASN 10 8.526 7.572 1.323 61 2HB ASN 10 2HB ASN 10 9.630 8.778 1.982 62 1HD2 ASN 10 1HD2 ASN 10 9.149 5.911 2.657 63 2HD2 ASN 10 2HD2 ASN 10 8.672 5.841 4.327 64 H THR 11 H THR 11 9.526 10.536 0.771 65 HA THR 11 HA THR 11 8.462 11.817 -1.441 66 HB THR 11 HB THR 11 10.793 11.688 -2.338 67 HG1 THR 11 HG1 THR 11 11.600 9.809 -1.376 68 1HG2 THR 11 1HG2 THR 11 11.671 13.141 -0.531 69 2HG2 THR 11 2HG2 THR 11 9.996 13.509 -0.979 70 3HG2 THR 11 3HG2 THR 11 10.325 12.619 0.507 71 H ASN 12 H ASN 12 8.859 8.349 -1.270 72 HA ASN 12 HA ASN 12 9.145 8.149 -4.196 73 1HB ASN 12 1HB ASN 12 9.963 6.464 -2.132 74 2HB ASN 12 2HB ASN 12 8.558 5.627 -2.791 75 1HD2 ASN 12 1HD2 ASN 12 11.713 7.069 -3.588 76 2HD2 ASN 12 2HD2 ASN 12 12.027 6.017 -4.969 77 H CYS 13 H CYS 13 6.488 8.468 -1.985 78 HA CYS 13 HA CYS 13 4.539 7.094 -3.634 79 1HB CYS 13 1HB CYS 13 4.365 7.549 -1.161 80 2HB CYS 13 2HB CYS 13 4.259 9.264 -1.516 81 H ASP 14 H ASP 14 2.795 8.407 -4.604 82 HA ASP 14 HA ASP 14 3.338 11.241 -5.110 83 1HB ASP 14 1HB ASP 14 3.968 9.713 -7.217 84 2HB ASP 14 2HB ASP 14 2.231 9.748 -7.476 85 H TYR 15 H TYR 15 1.094 8.472 -5.000 86 HA TYR 15 HA TYR 15 -1.221 10.070 -5.643 87 1HB TYR 15 1HB TYR 15 -0.846 7.220 -4.659 88 2HB TYR 15 2HB TYR 15 -2.398 7.922 -5.079 89 HD1 TYR 15 HD1 TYR 15 -0.030 9.267 -7.448 90 HD2 TYR 15 HD2 TYR 15 -2.190 5.681 -6.378 91 HE1 TYR 15 HE1 TYR 15 0.263 8.417 -9.727 92 HE2 TYR 15 HE2 TYR 15 -2.074 4.920 -8.700 93 HH TYR 15 HH TYR 15 -1.499 5.549 -10.919 94 H THR 16 H THR 16 -2.157 11.430 -4.215 95 HA THR 16 HA THR 16 -2.066 10.797 -1.354 96 HB THR 16 HB THR 16 -2.557 13.278 -1.186 97 HG1 THR 16 HG1 THR 16 -3.162 13.791 -3.227 98 1HG2 THR 16 1HG2 THR 16 0.027 12.257 -2.462 99 2HG2 THR 16 2HG2 THR 16 -0.152 13.738 -1.504 100 3HG2 THR 16 3HG2 THR 16 -0.386 12.171 -0.740 101 H ASN 17 H ASN 17 -4.125 9.480 -3.087 102 HA ASN 17 HA ASN 17 -6.615 10.689 -2.105 103 1HB ASN 17 1HB ASN 17 -7.590 8.518 -3.266 104 2HB ASN 17 2HB ASN 17 -7.111 9.903 -4.196 105 1HD2 ASN 17 1HD2 ASN 17 -5.446 9.724 -5.621 106 2HD2 ASN 17 2HD2 ASN 17 -4.560 8.240 -5.939 107 H SER 18 H SER 18 -5.506 7.325 -2.069 108 HA SER 18 HA SER 18 -5.353 6.208 0.233 109 1HB SER 18 1HB SER 18 -7.195 7.287 1.349 110 2HB SER 18 2HB SER 18 -8.322 6.862 0.043 111 HG SER 18 HG SER 18 -8.457 4.868 0.820 112 H GLN 19 H GLN 19 -8.016 6.085 -2.273 113 HA GLN 19 HA GLN 19 -7.839 3.253 -2.219 114 1HB GLN 19 1HB GLN 19 -9.895 4.615 -2.779 115 2HB GLN 19 2HB GLN 19 -9.196 4.926 -4.374 116 1HG GLN 19 1HG GLN 19 -10.803 3.062 -4.444 117 2HG GLN 19 2HG GLN 19 -9.183 2.500 -4.860 118 1HE2 GLN 19 1HE2 GLN 19 -8.823 0.439 -3.965 119 2HE2 GLN 19 2HE2 GLN 19 -9.551 -0.075 -2.438 120 H ASP 20 H ASP 20 -6.604 5.588 -4.680 121 HA ASP 20 HA ASP 20 -5.692 3.553 -6.554 122 1HB ASP 20 1HB ASP 20 -4.958 6.477 -6.093 123 2HB ASP 20 2HB ASP 20 -4.218 5.545 -7.292 124 H ALA 21 H ALA 21 -4.230 5.474 -3.954 125 HA ALA 21 HA ALA 21 -1.581 4.453 -4.096 126 1HB ALA 21 1HB ALA 21 -2.194 6.398 -2.706 127 2HB ALA 21 2HB ALA 21 -3.092 5.339 -1.594 128 3HB ALA 21 3HB ALA 21 -1.340 5.169 -1.762 129 H TRP 22 H TRP 22 -4.302 3.273 -2.074 130 HA TRP 22 HA TRP 22 -3.116 0.974 -0.981 131 1HB TRP 22 1HB TRP 22 -5.243 1.904 -0.231 132 2HB TRP 22 2HB TRP 22 -5.991 1.589 -1.778 133 HD1 TRP 22 HD1 TRP 22 -7.030 -0.684 -2.183 134 HE1 TRP 22 HE1 TRP 22 -7.693 -2.648 -0.623 135 HE3 TRP 22 HE3 TRP 22 -4.154 0.498 1.857 136 HZ2 TRP 22 HZ2 TRP 22 -6.864 -3.668 1.986 137 HZ3 TRP 22 HZ3 TRP 22 -4.245 -0.862 3.909 138 HH2 TRP 22 HH2 TRP 22 -5.452 -2.987 3.942 139 H ASP 23 H ASP 23 -5.232 1.196 -3.944 140 HA ASP 23 HA ASP 23 -5.102 -1.431 -4.734 141 1HB ASP 23 1HB ASP 23 -5.233 1.090 -6.453 142 2HB ASP 23 2HB ASP 23 -5.327 -0.511 -7.112 143 H TYR 24 H TYR 24 -2.849 1.189 -5.651 144 HA TYR 24 HA TYR 24 -1.220 -0.395 -7.390 145 1HB TYR 24 1HB TYR 24 -0.956 2.279 -5.972 146 2HB TYR 24 2HB TYR 24 0.424 1.585 -6.775 147 HD1 TYR 24 HD1 TYR 24 0.888 2.656 -8.726 148 HD2 TYR 24 HD2 TYR 24 -3.259 1.848 -7.807 149 HE1 TYR 24 HE1 TYR 24 0.257 3.423 -10.946 150 HE2 TYR 24 HE2 TYR 24 -3.921 2.740 -9.981 151 HH TYR 24 HH TYR 24 -3.155 3.924 -11.878 152 H CYS 25 H CYS 25 -1.005 0.463 -3.951 153 HA CYS 25 HA CYS 25 1.586 -0.632 -3.437 154 1HB CYS 25 1HB CYS 25 0.470 1.120 -2.098 155 2HB CYS 25 2HB CYS 25 -0.764 -0.046 -1.597 156 H THR 26 H THR 26 -1.727 -2.018 -3.042 157 HA THR 26 HA THR 26 -0.773 -4.475 -1.834 158 HB THR 26 HB THR 26 -3.051 -5.052 -1.786 159 HG1 THR 26 HG1 THR 26 -4.597 -3.790 -2.892 160 1HG2 THR 26 1HG2 THR 26 -3.953 -3.172 -0.482 161 2HG2 THR 26 2HG2 THR 26 -2.257 -3.515 -0.074 162 3HG2 THR 26 3HG2 THR 26 -2.670 -2.123 -1.047 163 H ASN 27 H ASN 27 -0.563 -3.338 -4.939 164 HA ASN 27 HA ASN 27 -0.252 -4.136 -6.973 165 1HB ASN 27 1HB ASN 27 1.240 -5.799 -5.678 166 2HB ASN 27 2HB ASN 27 -0.027 -6.981 -6.005 167 1HD2 ASN 27 1HD2 ASN 27 0.745 -8.267 -7.749 168 2HD2 ASN 27 2HD2 ASN 27 1.517 -7.557 -9.152 169 H TYR 28 H TYR 28 -2.923 -4.023 -5.679 170 HA TYR 28 HA TYR 28 -4.692 -5.837 -7.061 171 1HB TYR 28 1HB TYR 28 -5.232 -4.283 -5.115 172 2HB TYR 28 2HB TYR 28 -5.067 -2.939 -6.264 173 HD1 TYR 28 HD1 TYR 28 -7.029 -5.998 -5.552 174 HD2 TYR 28 HD2 TYR 28 -6.899 -2.152 -7.488 175 HE1 TYR 28 HE1 TYR 28 -9.418 -6.189 -6.029 176 HE2 TYR 28 HE2 TYR 28 -9.258 -2.319 -8.047 177 HH TYR 28 HH TYR 28 -11.313 -5.114 -6.981 178 H ILE 29 H ILE 29 -2.738 -3.029 -7.853 179 HA ILE 29 HA ILE 29 -3.484 -3.228 -10.726 180 HB ILE 29 HB ILE 29 -2.998 -0.750 -9.042 181 1HG1 ILE 29 1HG1 ILE 29 -5.295 -1.794 -8.963 182 2HG1 ILE 29 2HG1 ILE 29 -5.229 -0.150 -9.472 183 1HG2 ILE 29 1HG2 ILE 29 -3.449 0.464 -11.237 184 2HG2 ILE 29 2HG2 ILE 29 -1.878 -0.338 -11.114 185 3HG2 ILE 29 3HG2 ILE 29 -3.184 -1.084 -12.055 186 1HD1 ILE 29 1HD1 ILE 29 -6.834 -1.483 -10.771 187 2HD1 ILE 29 2HD1 ILE 29 -5.572 -0.851 -11.838 188 3HD1 ILE 29 3HD1 ILE 29 -5.537 -2.555 -11.321 189 H VAL 30 H VAL 30 -1.667 -4.134 -11.658 190 HA VAL 30 HA VAL 30 0.880 -4.211 -10.387 191 HB VAL 30 HB VAL 30 1.569 -4.795 -12.860 192 1HG1 VAL 30 1HG1 VAL 30 1.584 -6.303 -11.000 193 2HG1 VAL 30 2HG1 VAL 30 -0.177 -6.519 -11.078 194 3HG1 VAL 30 3HG1 VAL 30 0.856 -7.135 -12.388 195 1HG2 VAL 30 1HG2 VAL 30 -1.409 -5.410 -13.075 196 2HG2 VAL 30 2HG2 VAL 30 -0.603 -4.061 -13.916 197 3HG2 VAL 30 3HG2 VAL 30 -0.130 -5.727 -14.262 198 H ASN 31 H ASN 31 2.404 -2.665 -10.251 199 HA ASN 31 HA ASN 31 2.656 -0.705 -12.432 200 1HB ASN 31 1HB ASN 31 2.419 1.276 -11.119 201 2HB ASN 31 2HB ASN 31 0.916 0.360 -11.015 202 1HD2 ASN 31 1HD2 ASN 31 0.635 -1.068 -9.005 203 2HD2 ASN 31 2HD2 ASN 31 1.448 -0.590 -7.548 204 H SER 32 H SER 32 3.816 -1.592 -9.073 205 HA SER 32 HA SER 32 6.554 -1.310 -10.055 206 1HB SER 32 1HB SER 32 5.606 0.913 -9.253 207 2HB SER 32 2HB SER 32 5.447 0.205 -7.655 208 HG SER 32 HG SER 32 7.369 1.483 -8.223 209 H SER 33 H SER 33 7.595 -1.438 -7.460 210 HA SER 33 HA SER 33 7.600 -4.303 -7.200 211 1HB SER 33 1HB SER 33 9.521 -2.670 -6.877 212 2HB SER 33 2HB SER 33 8.817 -2.277 -5.294 213 HG SER 33 HG SER 33 8.821 -4.745 -5.136 214 H CYS 34 H CYS 34 5.295 -2.174 -6.060 215 HA CYS 34 HA CYS 34 3.912 -2.024 -4.279 216 1HB CYS 34 1HB CYS 34 2.550 -4.176 -4.278 217 2HB CYS 34 2HB CYS 34 2.803 -3.402 -5.800 218 H GLY 35 H GLY 35 3.279 -4.410 -2.481 219 1HA GLY 35 1HA GLY 35 4.155 -5.666 -0.791 220 2HA GLY 35 2HA GLY 35 5.767 -5.131 -1.295 221 H GLU 36 H GLU 36 5.892 -5.301 1.152 222 HA GLU 36 HA GLU 36 4.534 -3.465 2.847 223 1HB GLU 36 1HB GLU 36 5.926 -4.103 4.559 224 2HB GLU 36 2HB GLU 36 5.669 -5.552 3.579 225 1HG GLU 36 1HG GLU 36 7.973 -5.306 2.675 226 2HG GLU 36 2HG GLU 36 8.198 -3.825 3.630 227 H ILE 37 H ILE 37 7.510 -3.200 0.964 228 HA ILE 37 HA ILE 37 8.535 -0.779 2.161 229 HB ILE 37 HB ILE 37 8.832 -2.010 -0.601 230 1HG1 ILE 37 1HG1 ILE 37 10.475 -1.859 1.983 231 2HG1 ILE 37 2HG1 ILE 37 9.822 -3.297 1.197 232 1HG2 ILE 37 1HG2 ILE 37 9.117 0.460 -0.824 233 2HG2 ILE 37 2HG2 ILE 37 10.276 0.444 0.505 234 3HG2 ILE 37 3HG2 ILE 37 10.637 -0.383 -1.036 235 1HD1 ILE 37 1HD1 ILE 37 12.197 -3.219 0.887 236 2HD1 ILE 37 2HD1 ILE 37 11.428 -2.920 -0.685 237 3HD1 ILE 37 3HD1 ILE 37 12.128 -1.575 0.250 238 H CYS 38 H CYS 38 6.251 -1.316 -0.624 239 HA CYS 38 HA CYS 38 5.875 1.479 -1.073 240 1HB CYS 38 1HB CYS 38 5.264 -0.352 -2.647 241 2HB CYS 38 2HB CYS 38 3.940 -0.813 -1.579 242 H CYS 39 H CYS 39 4.181 -0.885 1.072 243 HA CYS 39 HA CYS 39 2.222 0.860 2.056 244 1HB CYS 39 1HB CYS 39 3.705 -1.253 3.644 245 2HB CYS 39 2HB CYS 39 2.132 -0.572 3.954 246 H ASN 40 H ASN 40 5.513 0.216 3.294 247 HA ASN 40 HA ASN 40 5.610 1.956 5.494 248 1HB ASN 40 1HB ASN 40 7.614 0.585 3.656 249 2HB ASN 40 2HB ASN 40 8.181 1.618 4.895 250 1HD2 ASN 40 1HD2 ASN 40 5.266 -0.057 5.868 251 2HD2 ASN 40 2HD2 ASN 40 6.111 -1.367 6.695 252 H ASP 41 H ASP 41 5.916 2.585 2.058 253 HA ASP 41 HA ASP 41 7.009 5.290 2.555 254 1HB ASP 41 1HB ASP 41 6.916 3.440 0.167 255 2HB ASP 41 2HB ASP 41 7.198 5.160 -0.007 256 H CYS 42 H CYS 42 3.918 4.005 2.351 257 HA CYS 42 HA CYS 42 2.879 6.603 1.287 258 1HB CYS 42 1HB CYS 42 1.629 3.932 0.701 259 2HB CYS 42 2HB CYS 42 1.066 5.535 0.233 260 H PHE 43 H PHE 43 2.647 4.176 3.819 261 HA PHE 43 HA PHE 43 0.165 5.439 4.861 262 1HB PHE 43 1HB PHE 43 0.840 2.492 4.600 263 2HB PHE 43 2HB PHE 43 -0.477 3.112 5.544 264 HD1 PHE 43 HD1 PHE 43 -2.354 4.331 4.490 265 HD2 PHE 43 HD2 PHE 43 0.425 2.056 2.107 266 HE1 PHE 43 HE1 PHE 43 -3.998 4.207 2.664 267 HE2 PHE 43 HE2 PHE 43 -1.215 1.943 0.303 268 HZ PHE 43 HZ PHE 43 -3.448 3.025 0.564 269 H ASP 44 H ASP 44 0.222 5.713 6.955 270 HA ASP 44 HA ASP 44 2.499 5.492 8.726 271 1HB ASP 44 1HB ASP 44 -0.446 5.546 9.204 272 2HB ASP 44 2HB ASP 44 0.683 5.538 10.547 273 H GLU 45 H GLU 45 2.728 3.881 10.370 274 HA GLU 45 HA GLU 45 2.873 1.511 9.062 275 1HB GLU 45 1HB GLU 45 3.887 2.327 11.589 276 2HB GLU 45 2HB GLU 45 3.135 0.775 11.831 277 1HG GLU 45 1HG GLU 45 4.445 0.165 9.551 278 2HG GLU 45 2HG GLU 45 5.503 1.464 10.116 279 H THR 46 H THR 46 0.335 2.376 11.320 280 HA THR 46 HA THR 46 -0.785 -0.257 11.686 281 HB THR 46 HB THR 46 -1.960 2.534 11.956 282 HG1 THR 46 HG1 THR 46 -0.367 2.400 13.340 283 1HG2 THR 46 1HG2 THR 46 -3.526 1.518 13.552 284 2HG2 THR 46 2HG2 THR 46 -3.770 0.903 11.904 285 3HG2 THR 46 3HG2 THR 46 -2.928 -0.111 13.110 286 H GLY 47 H GLY 47 -1.298 2.351 9.291 287 1HA GLY 47 1HA GLY 47 -3.446 1.125 7.779 288 2HA GLY 47 2HA GLY 47 -2.287 2.351 7.230 289 H THR 48 H THR 48 0.138 1.280 7.516 290 HA THR 48 HA THR 48 0.505 -0.529 5.444 291 HB THR 48 HB THR 48 2.140 0.239 7.837 292 HG1 THR 48 HG1 THR 48 2.451 1.720 6.311 293 1HG2 THR 48 1HG2 THR 48 2.746 -2.178 7.396 294 2HG2 THR 48 2HG2 THR 48 3.293 -1.646 5.796 295 3HG2 THR 48 3HG2 THR 48 4.005 -0.973 7.285 296 H GLY 49 H GLY 49 0.082 -1.498 8.976 297 1HA GLY 49 1HA GLY 49 0.587 -4.200 8.386 298 2HA GLY 49 2HA GLY 49 -0.403 -3.638 9.754 299 H ALA 50 H ALA 50 -2.322 -2.393 7.630 300 HA ALA 50 HA ALA 50 -3.969 -4.779 7.016 301 1HB ALA 50 1HB ALA 50 -4.856 -2.424 7.682 302 2HB ALA 50 2HB ALA 50 -4.311 -1.873 6.106 303 3HB ALA 50 3HB ALA 50 -5.560 -3.132 6.203 304 H CYS 51 H CYS 51 -2.106 -2.275 5.283 305 HA CYS 51 HA CYS 51 -2.881 -3.098 2.707 306 1HB CYS 51 1HB CYS 51 -2.140 -0.869 3.588 307 2HB CYS 51 2HB CYS 51 -0.472 -1.458 3.540 308 H ARG 52 H ARG 52 -0.129 -3.826 4.835 309 HA ARG 52 HA ARG 52 1.451 -5.322 3.110 310 1HB ARG 52 1HB ARG 52 1.102 -5.608 6.124 311 2HB ARG 52 2HB ARG 52 2.197 -6.586 5.131 312 1HG ARG 52 1HG ARG 52 3.367 -4.612 4.339 313 2HG ARG 52 2HG ARG 52 2.320 -3.634 5.336 314 1HD ARG 52 1HD ARG 52 4.321 -3.796 6.548 315 2HD ARG 52 2HD ARG 52 3.216 -4.917 7.353 316 HE ARG 52 HE ARG 52 4.945 -6.171 5.336 317 1HH1 ARG 52 2HH2 ARG 52 5.194 -4.689 8.513 318 2HH1 ARG 52 1HH2 ARG 52 6.492 -5.681 9.045 319 1HH2 ARG 52 2HH1 ARG 52 6.830 -7.365 6.051 320 2HH2 ARG 52 1HH1 ARG 52 7.410 -7.219 7.615 321 H ALA 53 H ALA 53 -1.251 -6.437 5.251 322 HA ALA 53 HA ALA 53 -1.095 -9.158 4.475 323 1HB ALA 53 1HB ALA 53 -3.501 -9.367 4.942 324 2HB ALA 53 2HB ALA 53 -2.666 -8.470 6.237 325 3HB ALA 53 3HB ALA 53 -3.665 -7.613 5.032 326 H GLN 54 H GLN 54 -3.063 -6.566 2.963 327 HA GLN 54 HA GLN 54 -3.902 -8.103 0.698 328 1HB GLN 54 1HB GLN 54 -4.784 -5.831 1.642 329 2HB GLN 54 2HB GLN 54 -3.519 -5.126 0.734 330 1HG GLN 54 1HG GLN 54 -5.389 -4.893 -0.612 331 2HG GLN 54 2HG GLN 54 -4.605 -6.277 -1.349 332 1HE2 GLN 54 1HE2 GLN 54 -6.625 -7.106 -2.328 333 2HE2 GLN 54 2HE2 GLN 54 -7.858 -7.751 -1.298 334 H ALA 55 H ALA 55 -0.718 -7.036 1.395 335 HA ALA 55 HA ALA 55 0.080 -7.179 -1.447 336 1HB ALA 55 1HB ALA 55 1.613 -5.805 0.794 337 2HB ALA 55 2HB ALA 55 1.855 -5.660 -0.957 338 3HB ALA 55 3HB ALA 55 0.424 -4.953 -0.194 339 H PHE 56 H PHE 56 0.013 -9.069 1.258 340 HA PHE 56 HA PHE 56 2.735 -10.269 1.015 341 1HB PHE 56 1HB PHE 56 2.024 -9.282 3.237 342 2HB PHE 56 2HB PHE 56 0.650 -10.327 3.246 343 HD1 PHE 56 HD1 PHE 56 0.886 -11.891 4.950 344 HD2 PHE 56 HD2 PHE 56 4.312 -11.090 2.418 345 HE1 PHE 56 HE1 PHE 56 2.220 -13.622 6.139 346 HE2 PHE 56 HE2 PHE 56 5.571 -12.826 3.575 347 HZ PHE 56 HZ PHE 56 4.569 -14.070 5.456 348 H GLY 57 H GLY 57 -0.671 -10.937 1.687 349 1HA GLY 57 1HA GLY 57 -0.507 -13.718 0.563 350 2HA GLY 57 2HA GLY 57 -1.439 -13.275 1.994 351 H ASN 58 H ASN 58 -1.102 -11.775 -1.293 352 HA ASN 58 HA ASN 58 -3.948 -12.199 -1.843 353 1HB ASN 58 1HB ASN 58 -3.988 -10.228 -0.379 354 2HB ASN 58 2HB ASN 58 -2.750 -9.489 -1.384 355 1HD2 ASN 58 1HD2 ASN 58 -3.607 -7.909 -2.766 356 2HD2 ASN 58 2HD2 ASN 58 -5.076 -8.196 -3.718 357 H SER 59 H SER 59 -2.010 -9.542 -3.253 358 HA SER 59 HA SER 59 -1.919 -11.060 -5.821 359 1HB SER 59 1HB SER 59 -2.342 -8.111 -5.186 360 2HB SER 59 2HB SER 59 -2.014 -8.723 -6.816 361 HG SER 59 HG SER 59 -3.748 -10.044 -6.725 362 H CYS 60 H CYS 60 0.044 -9.096 -3.632 363 HA CYS 60 HA CYS 60 2.308 -9.083 -5.551 364 1HB CYS 60 1HB CYS 60 1.959 -7.136 -4.086 365 2HB CYS 60 2HB CYS 60 1.991 -8.180 -2.682 366 H LEU 61 H LEU 61 3.425 -10.964 -5.677 367 HA LEU 61 HA LEU 61 2.733 -13.296 -4.214 368 1HB LEU 61 1HB LEU 61 5.139 -12.527 -5.917 369 2HB LEU 61 2HB LEU 61 5.167 -14.013 -5.011 370 HG LEU 61 HG LEU 61 4.579 -14.468 -7.274 371 1HD1 LEU 61 1HD1 LEU 61 3.568 -15.913 -5.539 372 2HD1 LEU 61 2HD1 LEU 61 2.103 -14.906 -5.556 373 3HD1 LEU 61 3HD1 LEU 61 2.582 -15.809 -7.005 374 1HD2 LEU 61 1HD2 LEU 61 2.519 -13.693 -8.323 375 2HD2 LEU 61 2HD2 LEU 61 2.127 -12.727 -6.891 376 3HD2 LEU 61 3HD2 LEU 61 3.546 -12.324 -7.880 377 H ASN 62 H ASN 62 5.331 -10.914 -3.640 378 HA ASN 62 HA ASN 62 5.694 -11.897 -0.911 379 1HB ASN 62 1HB ASN 62 7.947 -11.790 -2.972 380 2HB ASN 62 2HB ASN 62 8.174 -11.843 -1.224 381 1HD2 ASN 62 1HD2 ASN 62 7.563 -13.806 -4.022 382 2HD2 ASN 62 2HD2 ASN 62 7.049 -15.254 -3.159 383 H TRP 63 H TRP 63 5.379 -10.106 0.156 384 HA TRP 63 HA TRP 63 5.201 -7.537 -0.796 385 1HB TRP 63 1HB TRP 63 5.053 -6.953 1.604 386 2HB TRP 63 2HB TRP 63 4.089 -8.348 1.221 387 HD1 TRP 63 HD1 TRP 63 7.369 -9.760 1.487 388 HE1 TRP 63 HE1 TRP 63 7.883 -10.672 3.807 389 HE3 TRP 63 HE3 TRP 63 3.455 -7.768 3.923 390 HZ2 TRP 63 HZ2 TRP 63 6.531 -10.826 6.340 391 HZ3 TRP 63 HZ3 TRP 63 2.953 -8.415 6.318 392 HH2 TRP 63 HH2 TRP 63 4.522 -10.000 7.489 Start of MODEL 6 1 1H THR 1 1H THR 1 -7.182 -3.460 10.311 2 HA THR 1 HA THR 1 -8.054 -1.290 11.264 3 HB THR 1 HB THR 1 -5.713 -0.654 11.928 4 HG1 THR 1 HG1 THR 1 -6.218 1.494 11.770 5 1HG2 THR 1 1HG2 THR 1 -4.619 -0.904 9.622 6 2HG2 THR 1 2HG2 THR 1 -5.504 0.548 9.126 7 3HG2 THR 1 3HG2 THR 1 -4.332 0.649 10.434 8 H ASP 2 H ASP 2 -7.700 0.759 9.248 9 HA ASP 2 HA ASP 2 -8.398 -0.552 6.689 10 1HB ASP 2 1HB ASP 2 -10.386 0.258 8.170 11 2HB ASP 2 2HB ASP 2 -9.729 1.877 7.891 12 HA PRO 3 HA PRO 3 -5.364 2.607 5.459 13 1HB PRO 3 1HB PRO 3 -6.182 3.232 2.884 14 2HB PRO 3 2HB PRO 3 -5.320 1.745 3.352 15 1HG PRO 3 1HG PRO 3 -8.312 2.153 3.009 16 2HG PRO 3 2HG PRO 3 -7.297 0.842 2.316 17 1HD PRO 3 1HD PRO 3 -8.679 0.386 4.582 18 2HD PRO 3 2HD PRO 3 -7.014 -0.154 4.459 19 H GLU 4 H GLU 4 -8.737 3.176 5.351 20 HA GLU 4 HA GLU 4 -9.156 5.675 4.364 21 1HB GLU 4 1HB GLU 4 -10.907 4.215 5.295 22 2HB GLU 4 2HB GLU 4 -10.316 4.512 6.934 23 1HG GLU 4 1HG GLU 4 -12.200 5.808 6.782 24 2HG GLU 4 2HG GLU 4 -10.942 6.995 6.497 25 H GLU 5 H GLU 5 -7.936 5.118 7.674 26 HA GLU 5 HA GLU 5 -7.790 8.047 8.134 27 1HB GLU 5 1HB GLU 5 -7.705 5.726 10.073 28 2HB GLU 5 2HB GLU 5 -7.660 7.442 10.504 29 1HG GLU 5 1HG GLU 5 -9.899 7.657 9.245 30 2HG GLU 5 2HG GLU 5 -9.978 5.890 9.325 31 H HIS 6 H HIS 6 -5.676 6.117 6.748 32 HA HIS 6 HA HIS 6 -3.347 6.794 8.494 33 1HB HIS 6 1HB HIS 6 -4.199 4.160 7.240 34 2HB HIS 6 2HB HIS 6 -2.573 4.513 7.814 35 HD1 HIS 6 HD1 HIS 6 -2.231 4.840 10.454 36 HD2 HIS 6 HD2 HIS 6 -6.133 3.939 9.174 37 HE1 HIS 6 HE1 HIS 6 -3.627 4.362 12.572 38 H PHE 7 H PHE 7 -2.221 8.249 7.315 39 HA PHE 7 HA PHE 7 -1.406 7.549 4.631 40 1HB PHE 7 1HB PHE 7 -3.813 8.712 4.671 41 2HB PHE 7 2HB PHE 7 -2.903 10.180 4.911 42 HD1 PHE 7 HD1 PHE 7 -4.717 9.844 2.661 43 HD2 PHE 7 HD2 PHE 7 -0.567 8.623 2.939 44 HE1 PHE 7 HE1 PHE 7 -4.463 9.993 0.208 45 HE2 PHE 7 HE2 PHE 7 -0.369 8.729 0.523 46 HZ PHE 7 HZ PHE 7 -2.268 9.531 -0.838 47 H ASP 8 H ASP 8 0.791 8.012 4.807 48 HA ASP 8 HA ASP 8 1.612 10.619 5.856 49 1HB ASP 8 1HB ASP 8 1.350 8.939 7.784 50 2HB ASP 8 2HB ASP 8 2.737 8.099 7.118 51 HA PRO 9 HA PRO 9 3.812 8.641 2.193 52 1HB PRO 9 1HB PRO 9 3.746 11.094 0.705 53 2HB PRO 9 2HB PRO 9 2.894 9.568 0.385 54 1HG PRO 9 1HG PRO 9 1.774 12.035 1.310 55 2HG PRO 9 2HG PRO 9 0.945 10.482 1.098 56 1HD PRO 9 1HD PRO 9 1.844 11.764 3.586 57 2HD PRO 9 2HD PRO 9 0.719 10.411 3.362 58 H ASN 10 H ASN 10 5.736 9.314 1.062 59 HA ASN 10 HA ASN 10 7.297 11.548 2.056 60 1HB ASN 10 1HB ASN 10 9.289 10.349 2.462 61 2HB ASN 10 2HB ASN 10 8.045 9.458 3.318 62 1HD2 ASN 10 1HD2 ASN 10 7.133 7.439 2.022 63 2HD2 ASN 10 2HD2 ASN 10 8.365 6.554 1.137 64 H THR 11 H THR 11 9.454 11.362 0.473 65 HA THR 11 HA THR 11 8.384 12.161 -2.034 66 HB THR 11 HB THR 11 10.744 12.422 -2.687 67 HG1 THR 11 HG1 THR 11 11.856 11.705 -0.289 68 1HG2 THR 11 1HG2 THR 11 11.441 14.026 -1.019 69 2HG2 THR 11 2HG2 THR 11 9.690 14.146 -1.229 70 3HG2 THR 11 3HG2 THR 11 10.353 13.332 0.201 71 H ASN 12 H ASN 12 9.360 8.982 -0.975 72 HA ASN 12 HA ASN 12 9.822 7.779 -3.515 73 1HB ASN 12 1HB ASN 12 8.594 6.623 -0.986 74 2HB ASN 12 2HB ASN 12 9.063 5.678 -2.393 75 1HD2 ASN 12 1HD2 ASN 12 10.229 5.049 0.058 76 2HD2 ASN 12 2HD2 ASN 12 11.897 5.588 0.082 77 H CYS 13 H CYS 13 6.814 8.857 -1.914 78 HA CYS 13 HA CYS 13 5.119 7.599 -3.929 79 1HB CYS 13 1HB CYS 13 5.137 8.048 -0.956 80 2HB CYS 13 2HB CYS 13 3.645 8.402 -1.718 81 H ASP 14 H ASP 14 3.177 8.956 -4.362 82 HA ASP 14 HA ASP 14 3.677 11.906 -4.372 83 1HB ASP 14 1HB ASP 14 3.395 10.096 -6.784 84 2HB ASP 14 2HB ASP 14 2.769 11.730 -6.835 85 H TYR 15 H TYR 15 1.487 9.155 -5.021 86 HA TYR 15 HA TYR 15 -0.893 10.515 -5.635 87 1HB TYR 15 1HB TYR 15 -0.351 7.804 -4.399 88 2HB TYR 15 2HB TYR 15 -1.942 8.338 -4.884 89 HD1 TYR 15 HD1 TYR 15 -1.591 5.975 -5.901 90 HD2 TYR 15 HD2 TYR 15 0.177 9.594 -7.460 91 HE1 TYR 15 HE1 TYR 15 -1.679 5.021 -8.172 92 HE2 TYR 15 HE2 TYR 15 0.067 8.668 -9.722 93 HH TYR 15 HH TYR 15 -1.836 5.824 -10.461 94 H THR 16 H THR 16 -2.579 11.328 -4.517 95 HA THR 16 HA THR 16 -2.388 11.553 -1.566 96 HB THR 16 HB THR 16 -3.516 13.727 -1.982 97 HG1 THR 16 HG1 THR 16 -3.836 14.408 -3.952 98 1HG2 THR 16 1HG2 THR 16 -1.529 14.945 -2.689 99 2HG2 THR 16 2HG2 THR 16 -1.112 13.653 -1.553 100 3HG2 THR 16 3HG2 THR 16 -0.803 13.444 -3.293 101 H ASN 17 H ASN 17 -3.728 9.334 -2.852 102 HA ASN 17 HA ASN 17 -6.408 9.859 -1.703 103 1HB ASN 17 1HB ASN 17 -6.397 8.091 -4.083 104 2HB ASN 17 2HB ASN 17 -7.728 8.917 -3.332 105 1HD2 ASN 17 1HD2 ASN 17 -4.755 9.524 -5.128 106 2HD2 ASN 17 2HD2 ASN 17 -5.330 10.813 -6.150 107 H SER 18 H SER 18 -7.063 8.140 -0.414 108 HA SER 18 HA SER 18 -5.087 6.271 0.399 109 1HB SER 18 1HB SER 18 -7.031 5.220 1.680 110 2HB SER 18 2HB SER 18 -6.728 6.934 1.982 111 HG SER 18 HG SER 18 -8.943 6.565 1.637 112 H GLN 19 H GLN 19 -7.987 5.756 -1.637 113 HA GLN 19 HA GLN 19 -7.642 2.979 -1.995 114 1HB GLN 19 1HB GLN 19 -9.687 4.353 -2.581 115 2HB GLN 19 2HB GLN 19 -8.816 4.906 -4.016 116 1HG GLN 19 1HG GLN 19 -10.147 3.183 -4.833 117 2HG GLN 19 2HG GLN 19 -8.576 2.427 -4.696 118 1HE2 GLN 19 1HE2 GLN 19 -8.611 0.369 -3.637 119 2HE2 GLN 19 2HE2 GLN 19 -9.884 -0.087 -2.512 120 H ASP 20 H ASP 20 -6.499 5.639 -4.163 121 HA ASP 20 HA ASP 20 -5.524 4.034 -6.296 122 1HB ASP 20 1HB ASP 20 -4.619 6.781 -5.290 123 2HB ASP 20 2HB ASP 20 -4.238 6.065 -6.850 124 H ALA 21 H ALA 21 -3.552 5.570 -3.643 125 HA ALA 21 HA ALA 21 -1.276 4.048 -4.440 126 1HB ALA 21 1HB ALA 21 -0.860 5.934 -3.075 127 2HB ALA 21 2HB ALA 21 -1.882 5.285 -1.749 128 3HB ALA 21 3HB ALA 21 -0.345 4.504 -2.175 129 H TRP 22 H TRP 22 -3.936 3.273 -2.093 130 HA TRP 22 HA TRP 22 -2.837 0.911 -1.037 131 1HB TRP 22 1HB TRP 22 -4.866 1.877 -0.154 132 2HB TRP 22 2HB TRP 22 -5.724 1.639 -1.662 133 HD1 TRP 22 HD1 TRP 22 -6.557 -0.836 -2.226 134 HE1 TRP 22 HE1 TRP 22 -7.122 -2.805 -0.724 135 HE3 TRP 22 HE3 TRP 22 -4.026 0.666 1.919 136 HZ2 TRP 22 HZ2 TRP 22 -6.513 -3.636 2.049 137 HZ3 TRP 22 HZ3 TRP 22 -4.206 -0.604 4.045 138 HH2 TRP 22 HH2 TRP 22 -5.354 -2.782 4.082 139 H ASP 23 H ASP 23 -4.992 1.190 -3.955 140 HA ASP 23 HA ASP 23 -5.104 -1.554 -4.591 141 1HB ASP 23 1HB ASP 23 -5.229 0.912 -6.376 142 2HB ASP 23 2HB ASP 23 -5.430 -0.700 -6.972 143 H TYR 24 H TYR 24 -2.850 1.008 -5.708 144 HA TYR 24 HA TYR 24 -1.285 -0.675 -7.364 145 1HB TYR 24 1HB TYR 24 -0.858 2.011 -6.019 146 2HB TYR 24 2HB TYR 24 0.448 1.198 -6.861 147 HD1 TYR 24 HD1 TYR 24 -3.185 2.200 -7.599 148 HD2 TYR 24 HD2 TYR 24 0.870 1.682 -9.017 149 HE1 TYR 24 HE1 TYR 24 -3.835 3.056 -9.757 150 HE2 TYR 24 HE2 TYR 24 0.200 2.494 -11.245 151 HH TYR 24 HH TYR 24 -1.526 3.255 -12.542 152 H CYS 25 H CYS 25 -0.621 0.429 -3.993 153 HA CYS 25 HA CYS 25 1.684 -1.009 -3.406 154 1HB CYS 25 1HB CYS 25 -0.693 -0.395 -1.618 155 2HB CYS 25 2HB CYS 25 0.804 -1.117 -1.030 156 H THR 26 H THR 26 -1.659 -2.167 -3.284 157 HA THR 26 HA THR 26 -0.980 -4.751 -2.081 158 HB THR 26 HB THR 26 -3.307 -4.962 -1.831 159 HG1 THR 26 HG1 THR 26 -3.648 -2.407 -2.956 160 1HG2 THR 26 1HG2 THR 26 -2.242 -2.226 -1.011 161 2HG2 THR 26 2HG2 THR 26 -3.692 -2.985 -0.384 162 3HG2 THR 26 3HG2 THR 26 -2.087 -3.734 -0.155 163 H ASN 27 H ASN 27 -0.725 -3.638 -5.168 164 HA ASN 27 HA ASN 27 -0.243 -4.603 -7.104 165 1HB ASN 27 1HB ASN 27 1.156 -6.001 -5.864 166 2HB ASN 27 2HB ASN 27 -0.071 -7.072 -5.394 167 1HD2 ASN 27 1HD2 ASN 27 2.495 -6.829 -7.152 168 2HD2 ASN 27 2HD2 ASN 27 2.239 -7.920 -8.501 169 H TYR 28 H TYR 28 -3.112 -4.658 -5.818 170 HA TYR 28 HA TYR 28 -4.941 -5.941 -7.521 171 1HB TYR 28 1HB TYR 28 -5.167 -4.265 -5.522 172 2HB TYR 28 2HB TYR 28 -4.887 -3.014 -6.723 173 HD1 TYR 28 HD1 TYR 28 -7.288 -5.495 -5.487 174 HD2 TYR 28 HD2 TYR 28 -6.593 -2.165 -8.128 175 HE1 TYR 28 HE1 TYR 28 -9.706 -5.103 -5.614 176 HE2 TYR 28 HE2 TYR 28 -8.951 -1.747 -8.297 177 HH TYR 28 HH TYR 28 -10.896 -2.172 -6.616 178 H ILE 29 H ILE 29 -2.677 -3.236 -8.037 179 HA ILE 29 HA ILE 29 -3.203 -3.296 -10.953 180 HB ILE 29 HB ILE 29 -2.506 -0.917 -9.215 181 1HG1 ILE 29 1HG1 ILE 29 -4.836 -1.613 -9.047 182 2HG1 ILE 29 2HG1 ILE 29 -4.718 -0.069 -9.792 183 1HG2 ILE 29 1HG2 ILE 29 -2.700 -1.187 -12.232 184 2HG2 ILE 29 2HG2 ILE 29 -2.836 0.362 -11.385 185 3HG2 ILE 29 3HG2 ILE 29 -1.340 -0.579 -11.266 186 1HD1 ILE 29 1HD1 ILE 29 -5.117 -1.097 -12.030 187 2HD1 ILE 29 2HD1 ILE 29 -5.261 -2.686 -11.272 188 3HD1 ILE 29 3HD1 ILE 29 -6.421 -1.427 -10.886 189 H VAL 30 H VAL 30 -1.613 -4.237 -11.960 190 HA VAL 30 HA VAL 30 0.990 -4.728 -10.883 191 HB VAL 30 HB VAL 30 -0.480 -5.328 -13.385 192 1HG1 VAL 30 1HG1 VAL 30 1.561 -6.283 -14.473 193 2HG1 VAL 30 2HG1 VAL 30 1.486 -4.527 -14.533 194 3HG1 VAL 30 3HG1 VAL 30 2.565 -5.317 -13.371 195 1HG2 VAL 30 1HG2 VAL 30 1.448 -6.815 -11.552 196 2HG2 VAL 30 2HG2 VAL 30 -0.318 -6.761 -11.382 197 3HG2 VAL 30 3HG2 VAL 30 0.416 -7.546 -12.796 198 H ASN 31 H ASN 31 2.377 -3.260 -10.430 199 HA ASN 31 HA ASN 31 3.178 -1.236 -12.439 200 1HB ASN 31 1HB ASN 31 2.963 0.619 -11.035 201 2HB ASN 31 2HB ASN 31 1.410 -0.199 -10.970 202 1HD2 ASN 31 1HD2 ASN 31 0.987 -1.597 -8.950 203 2HD2 ASN 31 2HD2 ASN 31 1.890 -1.138 -7.504 204 H SER 32 H SER 32 4.231 -3.643 -10.389 205 HA SER 32 HA SER 32 6.102 -4.068 -9.169 206 1HB SER 32 1HB SER 32 7.118 -2.810 -11.721 207 2HB SER 32 2HB SER 32 8.242 -3.407 -10.483 208 HG SER 32 HG SER 32 6.159 -4.962 -11.679 209 H SER 33 H SER 33 5.196 -2.491 -7.576 210 HA SER 33 HA SER 33 7.610 -1.309 -6.502 211 1HB SER 33 1HB SER 33 6.064 0.525 -7.706 212 2HB SER 33 2HB SER 33 5.192 0.470 -6.182 213 HG SER 33 HG SER 33 7.158 1.067 -5.139 214 H CYS 34 H CYS 34 4.250 -2.174 -6.166 215 HA CYS 34 HA CYS 34 3.358 -2.555 -3.862 216 1HB CYS 34 1HB CYS 34 2.409 -4.762 -4.666 217 2HB CYS 34 2HB CYS 34 2.425 -3.507 -5.904 218 H GLY 35 H GLY 35 3.367 -3.792 -2.010 219 1HA GLY 35 1HA GLY 35 4.244 -5.838 -0.878 220 2HA GLY 35 2HA GLY 35 5.857 -5.303 -1.361 221 H GLU 36 H GLU 36 6.097 -5.414 1.158 222 HA GLU 36 HA GLU 36 4.531 -3.772 2.825 223 1HB GLU 36 1HB GLU 36 6.030 -4.348 4.547 224 2HB GLU 36 2HB GLU 36 5.851 -5.773 3.514 225 1HG GLU 36 1HG GLU 36 8.072 -5.257 2.493 226 2HG GLU 36 2HG GLU 36 8.231 -3.869 3.578 227 H ILE 37 H ILE 37 7.490 -3.138 1.050 228 HA ILE 37 HA ILE 37 8.259 -0.678 2.330 229 HB ILE 37 HB ILE 37 8.871 -1.850 -0.375 230 1HG1 ILE 37 1HG1 ILE 37 10.288 -1.782 2.319 231 2HG1 ILE 37 2HG1 ILE 37 9.634 -3.203 1.488 232 1HG2 ILE 37 1HG2 ILE 37 9.083 0.701 -0.353 233 2HG2 ILE 37 2HG2 ILE 37 10.183 0.548 1.003 234 3HG2 ILE 37 3HG2 ILE 37 10.615 -0.125 -0.579 235 1HD1 ILE 37 1HD1 ILE 37 11.271 -2.804 -0.356 236 2HD1 ILE 37 2HD1 ILE 37 11.974 -1.523 0.674 237 3HD1 ILE 37 3HD1 ILE 37 11.989 -3.206 1.230 238 H CYS 38 H CYS 38 6.272 -1.480 -0.597 239 HA CYS 38 HA CYS 38 5.749 1.219 -1.249 240 1HB CYS 38 1HB CYS 38 5.190 -1.223 -2.381 241 2HB CYS 38 2HB CYS 38 3.595 -0.704 -1.874 242 H CYS 39 H CYS 39 4.019 -1.043 0.945 243 HA CYS 39 HA CYS 39 1.900 0.689 1.748 244 1HB CYS 39 1HB CYS 39 3.458 -1.222 3.499 245 2HB CYS 39 2HB CYS 39 1.834 -0.632 3.708 246 H ASN 40 H ASN 40 5.201 0.213 3.220 247 HA ASN 40 HA ASN 40 5.009 2.121 5.220 248 1HB ASN 40 1HB ASN 40 7.199 0.754 3.675 249 2HB ASN 40 2HB ASN 40 7.671 2.192 4.494 250 1HD2 ASN 40 1HD2 ASN 40 5.280 -0.288 5.607 251 2HD2 ASN 40 2HD2 ASN 40 6.414 -0.979 6.758 252 H ASP 41 H ASP 41 5.769 2.513 1.769 253 HA ASP 41 HA ASP 41 7.005 5.034 1.924 254 1HB ASP 41 1HB ASP 41 5.825 3.421 -0.356 255 2HB ASP 41 2HB ASP 41 6.507 5.015 -0.609 256 H CYS 42 H CYS 42 3.600 4.161 1.475 257 HA CYS 42 HA CYS 42 2.907 7.065 1.201 258 1HB CYS 42 1HB CYS 42 1.878 4.749 -0.162 259 2HB CYS 42 2HB CYS 42 0.595 5.445 0.837 260 H PHE 43 H PHE 43 2.388 4.117 3.121 261 HA PHE 43 HA PHE 43 0.395 5.443 4.862 262 1HB PHE 43 1HB PHE 43 1.143 2.503 4.457 263 2HB PHE 43 2HB PHE 43 0.026 3.101 5.661 264 HD1 PHE 43 HD1 PHE 43 -2.176 3.909 5.083 265 HD2 PHE 43 HD2 PHE 43 0.488 2.493 1.992 266 HE1 PHE 43 HE1 PHE 43 -4.026 3.935 3.463 267 HE2 PHE 43 HE2 PHE 43 -1.385 2.465 0.392 268 HZ PHE 43 HZ PHE 43 -3.655 3.212 1.112 269 H ASP 44 H ASP 44 0.761 5.561 7.028 270 HA ASP 44 HA ASP 44 3.359 5.384 8.255 271 1HB ASP 44 1HB ASP 44 1.942 5.431 10.346 272 2HB ASP 44 2HB ASP 44 1.734 6.807 9.300 273 H GLU 45 H GLU 45 3.763 3.779 10.048 274 HA GLU 45 HA GLU 45 3.615 1.178 9.063 275 1HB GLU 45 1HB GLU 45 4.698 0.485 10.975 276 2HB GLU 45 2HB GLU 45 5.291 2.101 10.626 277 1HG GLU 45 1HG GLU 45 4.088 3.050 12.460 278 2HG GLU 45 2HG GLU 45 3.205 1.545 12.774 279 H THR 46 H THR 46 1.374 2.980 11.053 280 HA THR 46 HA THR 46 0.001 0.619 12.071 281 HB THR 46 HB THR 46 -0.904 3.522 12.063 282 HG1 THR 46 HG1 THR 46 0.853 3.425 13.275 283 1HG2 THR 46 1HG2 THR 46 -1.894 1.209 13.739 284 2HG2 THR 46 2HG2 THR 46 -2.411 2.902 13.817 285 3HG2 THR 46 3HG2 THR 46 -2.799 1.962 12.379 286 H GLY 47 H GLY 47 -0.770 2.985 9.424 287 1HA GLY 47 1HA GLY 47 -3.023 1.565 8.378 288 2HA GLY 47 2HA GLY 47 -1.937 2.623 7.457 289 H THR 48 H THR 48 0.472 1.320 7.731 290 HA THR 48 HA THR 48 0.474 -0.473 5.629 291 HB THR 48 HB THR 48 2.383 0.051 7.908 292 HG1 THR 48 HG1 THR 48 2.409 1.650 6.477 293 1HG2 THR 48 1HG2 THR 48 4.108 -1.163 6.956 294 2HG2 THR 48 2HG2 THR 48 2.811 -2.292 7.248 295 3HG2 THR 48 3HG2 THR 48 3.123 -1.714 5.585 296 H GLY 49 H GLY 49 0.164 -1.373 9.168 297 1HA GLY 49 1HA GLY 49 0.407 -4.131 8.603 298 2HA GLY 49 2HA GLY 49 -0.389 -3.455 10.037 299 H ALA 50 H ALA 50 -2.143 -2.243 7.458 300 HA ALA 50 HA ALA 50 -3.942 -4.630 7.110 301 1HB ALA 50 1HB ALA 50 -4.331 -1.649 6.505 302 2HB ALA 50 2HB ALA 50 -5.535 -2.936 6.259 303 3HB ALA 50 3HB ALA 50 -5.036 -2.502 7.902 304 H CYS 51 H CYS 51 -2.145 -2.041 5.365 305 HA CYS 51 HA CYS 51 -2.877 -2.913 2.791 306 1HB CYS 51 1HB CYS 51 -2.059 -0.664 3.554 307 2HB CYS 51 2HB CYS 51 -0.434 -1.339 3.662 308 H ARG 52 H ARG 52 -0.288 -3.852 5.046 309 HA ARG 52 HA ARG 52 1.220 -5.305 3.201 310 1HB ARG 52 1HB ARG 52 0.894 -5.791 6.195 311 2HB ARG 52 2HB ARG 52 1.970 -6.692 5.104 312 1HG ARG 52 1HG ARG 52 3.019 -4.476 4.440 313 2HG ARG 52 2HG ARG 52 2.050 -3.739 5.680 314 1HD ARG 52 1HD ARG 52 4.221 -4.056 6.605 315 2HD ARG 52 2HD ARG 52 3.159 -5.254 7.377 316 HE ARG 52 HE ARG 52 4.351 -6.409 5.046 317 1HH1 ARG 52 2HH2 ARG 52 5.536 -5.066 8.145 318 2HH1 ARG 52 1HH2 ARG 52 6.993 -6.027 8.060 319 1HH2 ARG 52 2HH1 ARG 52 6.014 -7.963 5.294 320 2HH2 ARG 52 1HH1 ARG 52 7.204 -7.734 6.467 321 H ALA 53 H ALA 53 -1.576 -6.417 5.237 322 HA ALA 53 HA ALA 53 -1.462 -9.146 4.434 323 1HB ALA 53 1HB ALA 53 -3.032 -8.438 6.172 324 2HB ALA 53 2HB ALA 53 -3.921 -7.425 5.006 325 3HB ALA 53 3HB ALA 53 -3.913 -9.180 4.810 326 H GLN 54 H GLN 54 -3.304 -6.423 3.010 327 HA GLN 54 HA GLN 54 -4.065 -7.870 0.696 328 1HB GLN 54 1HB GLN 54 -4.911 -5.557 1.687 329 2HB GLN 54 2HB GLN 54 -3.714 -4.897 0.661 330 1HG GLN 54 1HG GLN 54 -5.703 -4.893 -0.660 331 2HG GLN 54 2HG GLN 54 -4.818 -6.286 -1.266 332 1HE2 GLN 54 1HE2 GLN 54 -7.338 -6.897 -1.962 333 2HE2 GLN 54 2HE2 GLN 54 -7.965 -7.952 -0.717 334 H ALA 55 H ALA 55 -0.864 -6.772 1.393 335 HA ALA 55 HA ALA 55 -0.171 -7.077 -1.480 336 1HB ALA 55 1HB ALA 55 0.452 -4.849 -0.448 337 2HB ALA 55 2HB ALA 55 1.530 -5.750 0.665 338 3HB ALA 55 3HB ALA 55 1.814 -5.817 -1.096 339 H PHE 56 H PHE 56 -0.311 -8.903 1.275 340 HA PHE 56 HA PHE 56 2.319 -10.208 0.931 341 1HB PHE 56 1HB PHE 56 1.592 -9.391 3.233 342 2HB PHE 56 2HB PHE 56 0.208 -10.424 3.119 343 HD1 PHE 56 HD1 PHE 56 3.761 -11.387 2.117 344 HD2 PHE 56 HD2 PHE 56 0.520 -11.856 4.930 345 HE1 PHE 56 HE1 PHE 56 4.911 -13.311 3.126 346 HE2 PHE 56 HE2 PHE 56 1.665 -13.816 5.903 347 HZ PHE 56 HZ PHE 56 3.867 -14.559 5.002 348 H GLY 57 H GLY 57 -1.046 -11.045 1.579 349 1HA GLY 57 1HA GLY 57 -0.675 -13.697 0.249 350 2HA GLY 57 2HA GLY 57 -1.789 -13.332 1.548 351 H ASN 58 H ASN 58 -1.880 -10.920 -0.858 352 HA ASN 58 HA ASN 58 -4.641 -11.790 -1.559 353 1HB ASN 58 1HB ASN 58 -4.549 -9.658 -0.535 354 2HB ASN 58 2HB ASN 58 -3.135 -9.226 -1.512 355 1HD2 ASN 58 1HD2 ASN 58 -3.726 -7.507 -2.926 356 2HD2 ASN 58 2HD2 ASN 58 -5.144 -7.643 -3.958 357 H SER 59 H SER 59 -2.616 -9.651 -3.580 358 HA SER 59 HA SER 59 -2.706 -11.729 -5.750 359 1HB SER 59 1HB SER 59 -4.283 -9.723 -5.907 360 2HB SER 59 2HB SER 59 -2.843 -8.738 -6.204 361 HG SER 59 HG SER 59 -3.294 -11.090 -7.740 362 H CYS 60 H CYS 60 -0.775 -8.913 -4.483 363 HA CYS 60 HA CYS 60 1.643 -9.278 -5.637 364 1HB CYS 60 1HB CYS 60 0.588 -8.094 -3.319 365 2HB CYS 60 2HB CYS 60 1.829 -9.203 -2.736 366 H LEU 61 H LEU 61 3.152 -10.779 -5.752 367 HA LEU 61 HA LEU 61 2.573 -13.499 -5.260 368 1HB LEU 61 1HB LEU 61 4.109 -12.190 -7.016 369 2HB LEU 61 2HB LEU 61 5.355 -12.395 -5.811 370 HG LEU 61 HG LEU 61 5.610 -14.087 -7.422 371 1HD1 LEU 61 1HD1 LEU 61 5.569 -16.103 -6.193 372 2HD1 LEU 61 2HD1 LEU 61 5.824 -14.814 -5.022 373 3HD1 LEU 61 3HD1 LEU 61 4.213 -15.540 -5.173 374 1HD2 LEU 61 1HD2 LEU 61 2.696 -14.889 -7.037 375 2HD2 LEU 61 2HD2 LEU 61 3.370 -13.965 -8.413 376 3HD2 LEU 61 3HD2 LEU 61 3.881 -15.638 -8.143 377 H ASN 62 H ASN 62 4.931 -11.266 -3.828 378 HA ASN 62 HA ASN 62 4.564 -12.345 -1.134 379 1HB ASN 62 1HB ASN 62 7.236 -11.296 -2.133 380 2HB ASN 62 2HB ASN 62 6.857 -12.015 -0.579 381 1HD2 ASN 62 1HD2 ASN 62 7.737 -12.642 -3.909 382 2HD2 ASN 62 2HD2 ASN 62 7.989 -14.368 -3.687 383 H TRP 63 H TRP 63 5.233 -10.453 0.312 384 HA TRP 63 HA TRP 63 4.507 -7.859 -0.764 385 1HB TRP 63 1HB TRP 63 5.134 -7.171 1.599 386 2HB TRP 63 2HB TRP 63 3.733 -8.204 1.394 387 HD1 TRP 63 HD1 TRP 63 6.940 -10.177 1.408 388 HE1 TRP 63 HE1 TRP 63 7.289 -11.299 3.634 389 HE3 TRP 63 HE3 TRP 63 3.141 -7.993 3.944 390 HZ2 TRP 63 HZ2 TRP 63 6.044 -11.268 6.294 391 HZ3 TRP 63 HZ3 TRP 63 2.690 -8.567 6.354 392 HH2 TRP 63 HH2 TRP 63 4.182 -10.168 7.532 Start of MODEL 7 1 1H THR 1 1H THR 1 -6.683 -2.799 10.512 2 HA THR 1 HA THR 1 -7.426 -0.530 11.407 3 HB THR 1 HB THR 1 -4.687 -0.247 11.533 4 HG1 THR 1 HG1 THR 1 -6.792 1.620 11.701 5 1HG2 THR 1 1HG2 THR 1 -5.578 1.688 9.377 6 2HG2 THR 1 2HG2 THR 1 -4.017 1.599 10.161 7 3HG2 THR 1 3HG2 THR 1 -4.535 0.278 9.087 8 H ASP 2 H ASP 2 -7.956 1.239 9.610 9 HA ASP 2 HA ASP 2 -8.204 -0.104 6.954 10 1HB ASP 2 1HB ASP 2 -10.279 0.531 8.433 11 2HB ASP 2 2HB ASP 2 -9.891 2.197 7.959 12 HA PRO 3 HA PRO 3 -5.390 3.069 5.645 13 1HB PRO 3 1HB PRO 3 -5.736 3.193 2.940 14 2HB PRO 3 2HB PRO 3 -5.081 1.764 3.784 15 1HG PRO 3 1HG PRO 3 -7.942 2.298 2.895 16 2HG PRO 3 2HG PRO 3 -6.979 0.833 2.561 17 1HD PRO 3 1HD PRO 3 -8.736 0.968 4.610 18 2HD PRO 3 2HD PRO 3 -7.207 0.075 4.796 19 H GLU 4 H GLU 4 -8.697 3.554 5.452 20 HA GLU 4 HA GLU 4 -9.064 5.978 4.120 21 1HB GLU 4 1HB GLU 4 -10.776 4.410 5.231 22 2HB GLU 4 2HB GLU 4 -10.302 5.132 6.784 23 1HG GLU 4 1HG GLU 4 -12.387 6.160 5.804 24 2HG GLU 4 2HG GLU 4 -11.095 7.355 5.936 25 H GLU 5 H GLU 5 -7.975 5.377 7.445 26 HA GLU 5 HA GLU 5 -7.969 8.292 7.984 27 1HB GLU 5 1HB GLU 5 -8.742 7.796 10.092 28 2HB GLU 5 2HB GLU 5 -9.563 6.643 9.036 29 1HG GLU 5 1HG GLU 5 -8.132 4.859 9.700 30 2HG GLU 5 2HG GLU 5 -7.229 5.963 10.798 31 H HIS 6 H HIS 6 -5.761 6.462 6.881 32 HA HIS 6 HA HIS 6 -3.537 7.206 8.694 33 1HB HIS 6 1HB HIS 6 -4.166 4.495 7.415 34 2HB HIS 6 2HB HIS 6 -2.574 4.947 8.039 35 HD1 HIS 6 HD1 HIS 6 -2.190 4.823 10.563 36 HD2 HIS 6 HD2 HIS 6 -6.214 4.370 9.337 37 HE1 HIS 6 HE1 HIS 6 -3.533 4.227 12.670 38 H PHE 7 H PHE 7 -2.309 8.582 7.408 39 HA PHE 7 HA PHE 7 -1.427 7.667 4.822 40 1HB PHE 7 1HB PHE 7 -3.781 8.966 4.671 41 2HB PHE 7 2HB PHE 7 -2.778 10.386 4.848 42 HD1 PHE 7 HD1 PHE 7 -0.395 8.891 3.074 43 HD2 PHE 7 HD2 PHE 7 -4.612 9.723 2.574 44 HE1 PHE 7 HE1 PHE 7 -0.125 8.831 0.643 45 HE2 PHE 7 HE2 PHE 7 -4.285 9.779 0.122 46 HZ PHE 7 HZ PHE 7 -2.051 9.229 -0.841 47 H ASP 8 H ASP 8 0.794 8.323 4.875 48 HA ASP 8 HA ASP 8 1.381 10.997 5.689 49 1HB ASP 8 1HB ASP 8 1.439 9.910 7.938 50 2HB ASP 8 2HB ASP 8 2.719 8.844 7.348 51 HA PRO 9 HA PRO 9 3.587 8.848 2.278 52 1HB PRO 9 1HB PRO 9 3.470 10.937 0.450 53 2HB PRO 9 2HB PRO 9 2.246 9.668 0.658 54 1HG PRO 9 1HG PRO 9 2.233 12.517 1.601 55 2HG PRO 9 2HG PRO 9 0.845 11.504 1.150 56 1HD PRO 9 1HD PRO 9 1.700 12.112 3.738 57 2HD PRO 9 2HD PRO 9 0.620 10.764 3.309 58 H ASN 10 H ASN 10 5.720 8.729 2.501 59 HA ASN 10 HA ASN 10 7.430 10.899 3.353 60 1HB ASN 10 1HB ASN 10 8.365 8.490 1.752 61 2HB ASN 10 2HB ASN 10 9.300 9.470 2.880 62 1HD2 ASN 10 1HD2 ASN 10 8.431 6.508 2.656 63 2HD2 ASN 10 2HD2 ASN 10 7.763 6.084 4.182 64 H THR 11 H THR 11 9.421 11.457 1.822 65 HA THR 11 HA THR 11 8.535 12.693 -0.626 66 HB THR 11 HB THR 11 10.977 13.202 -0.760 67 HG1 THR 11 HG1 THR 11 11.352 11.279 0.744 68 1HG2 THR 11 1HG2 THR 11 9.616 13.993 1.855 69 2HG2 THR 11 2HG2 THR 11 10.993 14.814 1.091 70 3HG2 THR 11 3HG2 THR 11 9.420 14.800 0.284 71 H ASN 12 H ASN 12 7.729 10.308 -1.121 72 HA ASN 12 HA ASN 12 9.390 9.413 -3.350 73 1HB ASN 12 1HB ASN 12 9.807 7.923 -1.187 74 2HB ASN 12 2HB ASN 12 8.238 7.220 -1.608 75 1HD2 ASN 12 1HD2 ASN 12 8.394 7.259 -4.493 76 2HD2 ASN 12 2HD2 ASN 12 9.526 5.959 -4.774 77 H CYS 13 H CYS 13 6.327 9.174 -1.439 78 HA CYS 13 HA CYS 13 4.856 7.792 -3.285 79 1HB CYS 13 1HB CYS 13 4.340 8.419 -0.834 80 2HB CYS 13 2HB CYS 13 3.683 9.918 -1.478 81 H ASP 14 H ASP 14 3.371 8.222 -4.818 82 HA ASP 14 HA ASP 14 3.329 10.932 -6.088 83 1HB ASP 14 1HB ASP 14 2.620 8.226 -7.288 84 2HB ASP 14 2HB ASP 14 2.470 9.793 -8.085 85 H TYR 15 H TYR 15 1.156 8.077 -5.642 86 HA TYR 15 HA TYR 15 -1.187 9.567 -6.193 87 1HB TYR 15 1HB TYR 15 -0.902 6.895 -4.768 88 2HB TYR 15 2HB TYR 15 -2.382 7.511 -5.513 89 HD1 TYR 15 HD1 TYR 15 0.495 5.506 -5.976 90 HD2 TYR 15 HD2 TYR 15 -2.228 8.106 -8.043 91 HE1 TYR 15 HE1 TYR 15 1.422 4.707 -8.135 92 HE2 TYR 15 HE2 TYR 15 -1.223 7.416 -10.243 93 HH TYR 15 HH TYR 15 1.260 4.836 -10.451 94 H THR 16 H THR 16 -2.212 11.041 -4.935 95 HA THR 16 HA THR 16 -1.838 11.086 -2.059 96 HB THR 16 HB THR 16 -3.151 13.247 -2.471 97 HG1 THR 16 HG1 THR 16 -2.786 13.931 -4.726 98 1HG2 THR 16 1HG2 THR 16 -0.459 12.924 -3.872 99 2HG2 THR 16 2HG2 THR 16 -1.123 14.409 -3.167 100 3HG2 THR 16 3HG2 THR 16 -0.670 13.063 -2.114 101 H ASN 17 H ASN 17 -3.664 8.946 -3.348 102 HA ASN 17 HA ASN 17 -5.967 9.568 -1.591 103 1HB ASN 17 1HB ASN 17 -6.372 8.107 -4.154 104 2HB ASN 17 2HB ASN 17 -7.576 8.528 -2.979 105 1HD2 ASN 17 1HD2 ASN 17 -5.419 9.821 -5.376 106 2HD2 ASN 17 2HD2 ASN 17 -6.209 11.361 -5.639 107 H SER 18 H SER 18 -6.539 7.925 -0.419 108 HA SER 18 HA SER 18 -4.775 5.662 0.011 109 1HB SER 18 1HB SER 18 -7.385 6.532 1.316 110 2HB SER 18 2HB SER 18 -6.527 5.057 1.772 111 HG SER 18 HG SER 18 -5.736 6.531 3.109 112 H GLN 19 H GLN 19 -7.187 6.014 -2.309 113 HA GLN 19 HA GLN 19 -7.719 3.113 -2.312 114 1HB GLN 19 1HB GLN 19 -9.324 5.303 -3.027 115 2HB GLN 19 2HB GLN 19 -8.837 4.596 -4.565 116 1HG GLN 19 1HG GLN 19 -10.103 3.076 -2.235 117 2HG GLN 19 2HG GLN 19 -10.958 3.646 -3.668 118 1HE2 GLN 19 1HE2 GLN 19 -8.650 1.191 -2.457 119 2HE2 GLN 19 2HE2 GLN 19 -8.562 0.309 -3.983 120 H ASP 20 H ASP 20 -6.559 5.580 -4.701 121 HA ASP 20 HA ASP 20 -5.467 3.640 -6.476 122 1HB ASP 20 1HB ASP 20 -5.068 6.623 -6.089 123 2HB ASP 20 2HB ASP 20 -3.915 5.745 -7.018 124 H ALA 21 H ALA 21 -3.753 5.561 -3.890 125 HA ALA 21 HA ALA 21 -1.214 4.416 -4.327 126 1HB ALA 21 1HB ALA 21 -1.664 6.348 -2.781 127 2HB ALA 21 2HB ALA 21 -2.452 5.233 -1.655 128 3HB ALA 21 3HB ALA 21 -0.725 5.058 -2.018 129 H TRP 22 H TRP 22 -3.863 3.331 -2.200 130 HA TRP 22 HA TRP 22 -2.600 1.066 -1.080 131 1HB TRP 22 1HB TRP 22 -4.604 2.003 -0.158 132 2HB TRP 22 2HB TRP 22 -5.497 1.726 -1.648 133 HD1 TRP 22 HD1 TRP 22 -6.281 -0.757 -2.182 134 HE1 TRP 22 HE1 TRP 22 -6.934 -2.670 -0.625 135 HE3 TRP 22 HE3 TRP 22 -3.861 0.825 2.007 136 HZ2 TRP 22 HZ2 TRP 22 -6.506 -3.392 2.167 137 HZ3 TRP 22 HZ3 TRP 22 -4.121 -0.399 4.151 138 HH2 TRP 22 HH2 TRP 22 -5.398 -2.486 4.237 139 H ASP 23 H ASP 23 -4.923 1.140 -3.894 140 HA ASP 23 HA ASP 23 -4.823 -1.646 -4.424 141 1HB ASP 23 1HB ASP 23 -5.545 0.795 -6.021 142 2HB ASP 23 2HB ASP 23 -5.356 -0.752 -6.811 143 H TYR 24 H TYR 24 -2.599 0.966 -5.430 144 HA TYR 24 HA TYR 24 -1.202 -0.798 -7.211 145 1HB TYR 24 1HB TYR 24 -0.727 1.989 -6.130 146 2HB TYR 24 2HB TYR 24 0.515 1.149 -7.026 147 HD1 TYR 24 HD1 TYR 24 -3.279 1.516 -7.530 148 HD2 TYR 24 HD2 TYR 24 0.684 1.967 -9.187 149 HE1 TYR 24 HE1 TYR 24 -4.259 2.361 -9.573 150 HE2 TYR 24 HE2 TYR 24 -0.320 2.730 -11.319 151 HH TYR 24 HH TYR 24 -3.836 3.311 -11.680 152 H CYS 25 H CYS 25 -0.581 0.453 -3.871 153 HA CYS 25 HA CYS 25 1.811 -0.892 -3.239 154 1HB CYS 25 1HB CYS 25 -0.607 -0.609 -1.415 155 2HB CYS 25 2HB CYS 25 1.016 -1.004 -0.903 156 H THR 26 H THR 26 -1.543 -2.158 -3.098 157 HA THR 26 HA THR 26 -0.830 -4.692 -1.896 158 HB THR 26 HB THR 26 -3.169 -5.031 -1.861 159 HG1 THR 26 HG1 THR 26 -4.565 -3.450 -2.789 160 1HG2 THR 26 1HG2 THR 26 -2.146 -3.617 -0.153 161 2HG2 THR 26 2HG2 THR 26 -2.421 -2.174 -1.072 162 3HG2 THR 26 3HG2 THR 26 -3.807 -3.074 -0.509 163 H ASN 27 H ASN 27 -0.527 -3.560 -5.044 164 HA ASN 27 HA ASN 27 -0.419 -4.412 -7.104 165 1HB ASN 27 1HB ASN 27 1.289 -5.865 -6.008 166 2HB ASN 27 2HB ASN 27 0.111 -7.091 -5.807 167 1HD2 ASN 27 1HD2 ASN 27 2.369 -7.721 -7.106 168 2HD2 ASN 27 2HD2 ASN 27 2.065 -7.975 -8.815 169 H TYR 28 H TYR 28 -2.922 -4.116 -5.766 170 HA TYR 28 HA TYR 28 -4.823 -5.994 -6.900 171 1HB TYR 28 1HB TYR 28 -5.250 -4.297 -5.068 172 2HB TYR 28 2HB TYR 28 -5.057 -3.037 -6.296 173 HD1 TYR 28 HD1 TYR 28 -7.219 -5.836 -5.239 174 HD2 TYR 28 HD2 TYR 28 -6.763 -2.360 -7.687 175 HE1 TYR 28 HE1 TYR 28 -9.610 -5.939 -5.774 176 HE2 TYR 28 HE2 TYR 28 -9.079 -2.496 -8.409 177 HH TYR 28 HH TYR 28 -10.978 -3.636 -8.259 178 H ILE 29 H ILE 29 -2.791 -3.301 -7.878 179 HA ILE 29 HA ILE 29 -3.533 -3.541 -10.726 180 HB ILE 29 HB ILE 29 -2.777 -1.056 -9.194 181 1HG1 ILE 29 1HG1 ILE 29 -5.095 -1.818 -8.799 182 2HG1 ILE 29 2HG1 ILE 29 -5.003 -0.286 -9.554 183 1HG2 ILE 29 1HG2 ILE 29 -1.828 -0.890 -11.403 184 2HG2 ILE 29 2HG2 ILE 29 -3.311 -1.518 -12.156 185 3HG2 ILE 29 3HG2 ILE 29 -3.312 0.077 -11.398 186 1HD1 ILE 29 1HD1 ILE 29 -5.637 -1.262 -11.739 187 2HD1 ILE 29 2HD1 ILE 29 -5.664 -2.881 -11.007 188 3HD1 ILE 29 3HD1 ILE 29 -6.824 -1.652 -10.484 189 H VAL 30 H VAL 30 -1.761 -4.410 -11.772 190 HA VAL 30 HA VAL 30 0.828 -4.705 -10.560 191 HB VAL 30 HB VAL 30 -0.308 -5.154 -13.303 192 1HG1 VAL 30 1HG1 VAL 30 1.856 -4.277 -13.920 193 2HG1 VAL 30 2HG1 VAL 30 2.666 -5.204 -12.645 194 3HG1 VAL 30 3HG1 VAL 30 1.926 -6.034 -14.044 195 1HG2 VAL 30 1HG2 VAL 30 1.195 -6.876 -11.299 196 2HG2 VAL 30 2HG2 VAL 30 -0.563 -6.815 -11.495 197 3HG2 VAL 30 3HG2 VAL 30 0.428 -7.456 -12.812 198 H ASN 31 H ASN 31 2.445 -3.372 -10.429 199 HA ASN 31 HA ASN 31 2.789 -1.059 -12.183 200 1HB ASN 31 1HB ASN 31 2.447 0.700 -10.628 201 2HB ASN 31 2HB ASN 31 0.978 -0.265 -10.623 202 1HD2 ASN 31 1HD2 ASN 31 0.835 -1.946 -8.772 203 2HD2 ASN 31 2HD2 ASN 31 1.541 -1.470 -7.250 204 H SER 32 H SER 32 4.196 -3.367 -10.285 205 HA SER 32 HA SER 32 6.232 -3.806 -9.507 206 1HB SER 32 1HB SER 32 7.169 -1.062 -10.463 207 2HB SER 32 2HB SER 32 8.187 -2.365 -9.867 208 HG SER 32 HG SER 32 7.457 -3.657 -11.568 209 H SER 33 H SER 33 7.655 -3.236 -7.659 210 HA SER 33 HA SER 33 8.230 -2.632 -5.669 211 1HB SER 33 1HB SER 33 8.561 -0.569 -6.962 212 2HB SER 33 2HB SER 33 7.022 0.022 -6.395 213 HG SER 33 HG SER 33 9.172 0.563 -5.260 214 H CYS 34 H CYS 34 5.088 -2.937 -6.337 215 HA CYS 34 HA CYS 34 3.629 -2.589 -3.933 216 1HB CYS 34 1HB CYS 34 2.373 -4.643 -4.848 217 2HB CYS 34 2HB CYS 34 2.493 -3.228 -5.905 218 H GLY 35 H GLY 35 3.381 -3.922 -2.101 219 1HA GLY 35 1HA GLY 35 4.302 -5.967 -0.899 220 2HA GLY 35 2HA GLY 35 5.882 -5.369 -1.458 221 H GLU 36 H GLU 36 6.038 -5.390 1.074 222 HA GLU 36 HA GLU 36 4.365 -3.578 2.547 223 1HB GLU 36 1HB GLU 36 5.610 -4.062 4.438 224 2HB GLU 36 2HB GLU 36 5.448 -5.537 3.463 225 1HG GLU 36 1HG GLU 36 7.839 -5.191 2.723 226 2HG GLU 36 2HG GLU 36 7.941 -3.865 3.908 227 H ILE 37 H ILE 37 7.332 -3.180 0.868 228 HA ILE 37 HA ILE 37 8.337 -0.729 1.950 229 HB ILE 37 HB ILE 37 8.565 -1.844 -0.850 230 1HG1 ILE 37 1HG1 ILE 37 10.147 -2.116 1.738 231 2HG1 ILE 37 2HG1 ILE 37 9.408 -3.390 0.763 232 1HG2 ILE 37 1HG2 ILE 37 10.219 0.336 0.535 233 2HG2 ILE 37 2HG2 ILE 37 10.498 -0.297 -1.098 234 3HG2 ILE 37 3HG2 ILE 37 9.060 0.649 -0.755 235 1HD1 ILE 37 1HD1 ILE 37 11.864 -1.770 0.120 236 2HD1 ILE 37 2HD1 ILE 37 11.779 -3.493 0.497 237 3HD1 ILE 37 3HD1 ILE 37 11.084 -2.903 -1.032 238 H CYS 38 H CYS 38 6.063 -1.208 -0.888 239 HA CYS 38 HA CYS 38 5.769 1.625 -1.267 240 1HB CYS 38 1HB CYS 38 5.173 -0.196 -2.920 241 2HB CYS 38 2HB CYS 38 3.764 -0.584 -1.932 242 H CYS 39 H CYS 39 3.982 -0.726 0.771 243 HA CYS 39 HA CYS 39 1.986 1.041 1.813 244 1HB CYS 39 1HB CYS 39 3.494 -1.075 3.351 245 2HB CYS 39 2HB CYS 39 1.879 -0.474 3.617 246 H ASN 40 H ASN 40 5.329 0.329 3.000 247 HA ASN 40 HA ASN 40 5.340 2.124 5.151 248 1HB ASN 40 1HB ASN 40 7.351 0.639 3.496 249 2HB ASN 40 2HB ASN 40 7.966 2.080 4.233 250 1HD2 ASN 40 1HD2 ASN 40 5.437 -0.083 5.689 251 2HD2 ASN 40 2HD2 ASN 40 6.542 -0.646 6.948 252 H ASP 41 H ASP 41 6.121 2.647 1.695 253 HA ASP 41 HA ASP 41 6.860 5.412 2.189 254 1HB ASP 41 1HB ASP 41 7.143 3.572 -0.148 255 2HB ASP 41 2HB ASP 41 7.210 5.321 -0.355 256 H CYS 42 H CYS 42 3.941 4.289 2.182 257 HA CYS 42 HA CYS 42 2.853 6.853 1.048 258 1HB CYS 42 1HB CYS 42 1.435 4.170 1.056 259 2HB CYS 42 2HB CYS 42 0.752 5.708 0.546 260 H PHE 43 H PHE 43 2.524 4.240 3.455 261 HA PHE 43 HA PHE 43 0.458 5.743 4.960 262 1HB PHE 43 1HB PHE 43 1.101 2.758 4.554 263 2HB PHE 43 2HB PHE 43 -0.007 3.359 5.783 264 HD1 PHE 43 HD1 PHE 43 -2.079 4.587 5.088 265 HD2 PHE 43 HD2 PHE 43 0.364 2.451 2.272 266 HE1 PHE 43 HE1 PHE 43 -3.938 4.632 3.460 267 HE2 PHE 43 HE2 PHE 43 -1.515 2.426 0.657 268 HZ PHE 43 HZ PHE 43 -3.680 3.512 1.247 269 H ASP 44 H ASP 44 0.579 5.613 7.281 270 HA ASP 44 HA ASP 44 3.245 5.426 8.406 271 1HB ASP 44 1HB ASP 44 2.391 6.174 10.306 272 2HB ASP 44 2HB ASP 44 1.047 6.663 9.324 273 H GLU 45 H GLU 45 3.323 3.871 10.419 274 HA GLU 45 HA GLU 45 3.537 1.256 9.232 275 1HB GLU 45 1HB GLU 45 4.974 2.221 11.081 276 2HB GLU 45 2HB GLU 45 3.652 1.804 12.183 277 1HG GLU 45 1HG GLU 45 3.817 -0.579 11.352 278 2HG GLU 45 2HG GLU 45 5.184 -0.100 10.339 279 H THR 46 H THR 46 1.009 2.847 11.124 280 HA THR 46 HA THR 46 -0.368 0.416 11.893 281 HB THR 46 HB THR 46 -1.516 3.219 11.716 282 HG1 THR 46 HG1 THR 46 0.205 3.607 12.803 283 1HG2 THR 46 1HG2 THR 46 -3.197 1.618 12.288 284 2HG2 THR 46 2HG2 THR 46 -2.137 0.803 13.454 285 3HG2 THR 46 3HG2 THR 46 -2.749 2.441 13.781 286 H GLY 47 H GLY 47 -0.965 2.964 9.395 287 1HA GLY 47 1HA GLY 47 -3.053 1.739 7.931 288 2HA GLY 47 2HA GLY 47 -1.828 2.835 7.284 289 H THR 48 H THR 48 0.514 1.413 7.662 290 HA THR 48 HA THR 48 0.634 -0.294 5.477 291 HB THR 48 HB THR 48 2.452 0.062 7.880 292 HG1 THR 48 HG1 THR 48 2.530 1.775 6.565 293 1HG2 THR 48 1HG2 THR 48 4.205 -1.121 6.767 294 2HG2 THR 48 2HG2 THR 48 2.871 -2.225 7.032 295 3HG2 THR 48 3HG2 THR 48 3.147 -1.564 5.414 296 H GLY 49 H GLY 49 0.203 -1.322 8.966 297 1HA GLY 49 1HA GLY 49 0.717 -3.993 8.489 298 2HA GLY 49 2HA GLY 49 -0.418 -3.424 9.731 299 H ALA 50 H ALA 50 -2.317 -2.304 7.844 300 HA ALA 50 HA ALA 50 -3.899 -4.612 7.059 301 1HB ALA 50 1HB ALA 50 -4.132 -1.648 6.334 302 2HB ALA 50 2HB ALA 50 -5.432 -2.885 6.310 303 3HB ALA 50 3HB ALA 50 -4.728 -2.347 7.852 304 H CYS 51 H CYS 51 -2.053 -2.069 5.304 305 HA CYS 51 HA CYS 51 -2.854 -2.853 2.722 306 1HB CYS 51 1HB CYS 51 -1.978 -0.638 3.584 307 2HB CYS 51 2HB CYS 51 -0.360 -1.337 3.557 308 H ARG 52 H ARG 52 -0.173 -3.756 4.874 309 HA ARG 52 HA ARG 52 1.269 -5.311 3.048 310 1HB ARG 52 1HB ARG 52 0.981 -5.707 6.049 311 2HB ARG 52 2HB ARG 52 2.042 -6.624 4.948 312 1HG ARG 52 1HG ARG 52 3.222 -4.590 4.299 313 2HG ARG 52 2HG ARG 52 2.177 -3.666 5.355 314 1HD ARG 52 1HD ARG 52 4.178 -3.965 6.560 315 2HD ARG 52 2HD ARG 52 2.994 -5.052 7.297 316 HE ARG 52 HE ARG 52 4.885 -6.064 5.220 317 1HH1 ARG 52 2HH2 ARG 52 4.336 -5.869 8.697 318 2HH1 ARG 52 1HH2 ARG 52 5.147 -7.345 9.036 319 1HH2 ARG 52 2HH1 ARG 52 6.376 -7.652 5.791 320 2HH2 ARG 52 1HH1 ARG 52 6.188 -8.513 7.289 321 H ALA 53 H ALA 53 -1.549 -6.228 5.171 322 HA ALA 53 HA ALA 53 -1.460 -9.000 4.504 323 1HB ALA 53 1HB ALA 53 -3.942 -7.313 5.028 324 2HB ALA 53 2HB ALA 53 -3.842 -9.065 4.978 325 3HB ALA 53 3HB ALA 53 -2.972 -8.173 6.260 326 H GLN 54 H GLN 54 -3.211 -6.296 2.930 327 HA GLN 54 HA GLN 54 -4.178 -7.885 0.733 328 1HB GLN 54 1HB GLN 54 -4.904 -5.488 1.625 329 2HB GLN 54 2HB GLN 54 -3.630 -4.942 0.652 330 1HG GLN 54 1HG GLN 54 -5.547 -4.712 -0.703 331 2HG GLN 54 2HG GLN 54 -4.773 -6.154 -1.350 332 1HE2 GLN 54 1HE2 GLN 54 -6.779 -7.188 -2.206 333 2HE2 GLN 54 2HE2 GLN 54 -8.003 -7.685 -1.096 334 H ALA 55 H ALA 55 -0.944 -6.795 1.380 335 HA ALA 55 HA ALA 55 -0.161 -7.176 -1.464 336 1HB ALA 55 1HB ALA 55 1.882 -6.055 -0.913 337 2HB ALA 55 2HB ALA 55 0.553 -5.050 -0.298 338 3HB ALA 55 3HB ALA 55 1.500 -6.052 0.821 339 H PHE 56 H PHE 56 -0.466 -8.933 1.405 340 HA PHE 56 HA PHE 56 2.030 -10.471 1.103 341 1HB PHE 56 1HB PHE 56 1.484 -9.464 3.343 342 2HB PHE 56 2HB PHE 56 -0.050 -10.281 3.310 343 HD1 PHE 56 HD1 PHE 56 -0.138 -11.944 4.921 344 HD2 PHE 56 HD2 PHE 56 3.448 -11.574 2.531 345 HE1 PHE 56 HE1 PHE 56 0.852 -13.912 6.075 346 HE2 PHE 56 HE2 PHE 56 4.451 -13.446 3.749 347 HZ PHE 56 HZ PHE 56 3.146 -14.653 5.512 348 H GLY 57 H GLY 57 -1.215 -11.408 2.219 349 1HA GLY 57 1HA GLY 57 -0.975 -14.013 0.852 350 2HA GLY 57 2HA GLY 57 -2.149 -13.552 2.079 351 H ASN 58 H ASN 58 -1.364 -11.870 -0.998 352 HA ASN 58 HA ASN 58 -4.141 -12.168 -1.955 353 1HB ASN 58 1HB ASN 58 -3.905 -10.197 -0.308 354 2HB ASN 58 2HB ASN 58 -2.712 -9.578 -1.417 355 1HD2 ASN 58 1HD2 ASN 58 -3.632 -7.949 -2.643 356 2HD2 ASN 58 2HD2 ASN 58 -5.226 -8.089 -3.428 357 H SER 59 H SER 59 -3.241 -9.745 -3.822 358 HA SER 59 HA SER 59 -2.619 -11.407 -6.017 359 1HB SER 59 1HB SER 59 -2.522 -8.407 -5.547 360 2HB SER 59 2HB SER 59 -2.084 -9.137 -7.104 361 HG SER 59 HG SER 59 -4.287 -8.536 -7.050 362 H CYS 60 H CYS 60 -0.388 -9.266 -4.112 363 HA CYS 60 HA CYS 60 1.747 -9.609 -6.021 364 1HB CYS 60 1HB CYS 60 1.400 -7.791 -4.082 365 2HB CYS 60 2HB CYS 60 2.342 -8.955 -3.150 366 H LEU 61 H LEU 61 3.371 -11.185 -6.088 367 HA LEU 61 HA LEU 61 2.687 -13.686 -4.901 368 1HB LEU 61 1HB LEU 61 5.381 -12.957 -6.090 369 2HB LEU 61 2HB LEU 61 4.715 -14.548 -5.811 370 HG LEU 61 HG LEU 61 4.499 -14.367 -8.060 371 1HD1 LEU 61 1HD1 LEU 61 2.214 -14.307 -8.659 372 2HD1 LEU 61 2HD1 LEU 61 2.241 -14.826 -6.980 373 3HD1 LEU 61 3HD1 LEU 61 1.795 -13.161 -7.358 374 1HD2 LEU 61 1HD2 LEU 61 3.976 -12.442 -9.371 375 2HD2 LEU 61 2HD2 LEU 61 3.518 -11.490 -7.950 376 3HD2 LEU 61 3HD2 LEU 61 5.209 -11.984 -8.195 377 H ASN 62 H ASN 62 5.157 -11.248 -4.104 378 HA ASN 62 HA ASN 62 5.411 -12.337 -1.365 379 1HB ASN 62 1HB ASN 62 7.679 -11.436 -3.192 380 2HB ASN 62 2HB ASN 62 7.800 -11.500 -1.435 381 1HD2 ASN 62 1HD2 ASN 62 8.272 -13.336 -4.264 382 2HD2 ASN 62 2HD2 ASN 62 8.375 -14.910 -3.491 383 H TRP 63 H TRP 63 5.186 -10.665 0.100 384 HA TRP 63 HA TRP 63 4.752 -7.918 -0.779 385 1HB TRP 63 1HB TRP 63 4.743 -7.442 1.639 386 2HB TRP 63 2HB TRP 63 3.588 -8.670 1.184 387 HD1 TRP 63 HD1 TRP 63 6.660 -10.626 1.455 388 HE1 TRP 63 HE1 TRP 63 6.689 -11.883 3.632 389 HE3 TRP 63 HE3 TRP 63 3.155 -7.943 3.841 390 HZ2 TRP 63 HZ2 TRP 63 5.397 -11.664 6.243 391 HZ3 TRP 63 HZ3 TRP 63 2.426 -8.521 6.178 392 HH2 TRP 63 HH2 TRP 63 3.544 -10.442 7.348 Start of MODEL 8 1 1H THR 1 1H THR 1 -6.359 -2.008 12.319 2 HA THR 1 HA THR 1 -7.921 -0.414 11.381 3 HB THR 1 HB THR 1 -5.426 0.103 12.034 4 HG1 THR 1 HG1 THR 1 -6.091 2.293 11.504 5 1HG2 THR 1 1HG2 THR 1 -4.147 1.245 10.330 6 2HG2 THR 1 2HG2 THR 1 -4.454 -0.400 9.725 7 3HG2 THR 1 3HG2 THR 1 -5.372 0.984 9.109 8 H ASP 2 H ASP 2 -7.753 1.179 9.326 9 HA ASP 2 HA ASP 2 -8.016 -0.363 6.794 10 1HB ASP 2 1HB ASP 2 -9.800 1.720 8.078 11 2HB ASP 2 2HB ASP 2 -9.820 1.473 6.344 12 HA PRO 3 HA PRO 3 -5.253 2.950 5.479 13 1HB PRO 3 1HB PRO 3 -5.790 3.198 2.810 14 2HB PRO 3 2HB PRO 3 -5.050 1.745 3.534 15 1HG PRO 3 1HG PRO 3 -7.963 2.232 2.834 16 2HG PRO 3 2HG PRO 3 -6.982 0.803 2.415 17 1HD PRO 3 1HD PRO 3 -8.657 0.862 4.589 18 2HD PRO 3 2HD PRO 3 -7.131 -0.043 4.608 19 H GLU 4 H GLU 4 -8.546 3.380 5.625 20 HA GLU 4 HA GLU 4 -8.943 5.903 4.406 21 1HB GLU 4 1HB GLU 4 -10.722 4.365 5.216 22 2HB GLU 4 2HB GLU 4 -10.266 4.759 6.899 23 1HG GLU 4 1HG GLU 4 -11.165 6.938 6.722 24 2HG GLU 4 2HG GLU 4 -10.831 7.061 4.996 25 H GLU 5 H GLU 5 -8.299 5.179 7.861 26 HA GLU 5 HA GLU 5 -7.942 8.050 8.367 27 1HB GLU 5 1HB GLU 5 -8.159 5.705 10.279 28 2HB GLU 5 2HB GLU 5 -8.043 7.425 10.722 29 1HG GLU 5 1HG GLU 5 -10.146 7.860 9.411 30 2HG GLU 5 2HG GLU 5 -10.332 6.109 9.233 31 H HIS 6 H HIS 6 -5.849 6.156 7.047 32 HA HIS 6 HA HIS 6 -3.526 6.919 8.735 33 1HB HIS 6 1HB HIS 6 -4.186 4.147 7.643 34 2HB HIS 6 2HB HIS 6 -2.611 4.659 8.251 35 HD1 HIS 6 HD1 HIS 6 -2.329 4.964 10.902 36 HD2 HIS 6 HD2 HIS 6 -6.198 3.994 9.476 37 HE1 HIS 6 HE1 HIS 6 -3.703 4.392 12.947 38 H PHE 7 H PHE 7 -2.454 8.266 7.369 39 HA PHE 7 HA PHE 7 -1.700 7.368 4.740 40 1HB PHE 7 1HB PHE 7 -4.066 8.596 4.741 41 2HB PHE 7 2HB PHE 7 -3.123 10.042 4.959 42 HD1 PHE 7 HD1 PHE 7 -0.823 8.504 2.893 43 HD2 PHE 7 HD2 PHE 7 -4.965 9.771 2.829 44 HE1 PHE 7 HE1 PHE 7 -0.845 8.365 0.442 45 HE2 PHE 7 HE2 PHE 7 -4.904 9.779 0.348 46 HZ PHE 7 HZ PHE 7 -2.893 8.899 -0.813 47 H ASP 8 H ASP 8 0.489 7.922 4.853 48 HA ASP 8 HA ASP 8 1.223 10.568 5.654 49 1HB ASP 8 1HB ASP 8 1.097 8.914 7.822 50 2HB ASP 8 2HB ASP 8 2.763 8.659 7.365 51 HA PRO 9 HA PRO 9 3.547 8.344 2.339 52 1HB PRO 9 1HB PRO 9 3.538 10.834 0.835 53 2HB PRO 9 2HB PRO 9 2.827 9.246 0.412 54 1HG PRO 9 1HG PRO 9 1.308 11.500 1.038 55 2HG PRO 9 2HG PRO 9 0.774 9.801 1.152 56 1HD PRO 9 1HD PRO 9 1.711 11.623 3.316 57 2HD PRO 9 2HD PRO 9 0.451 10.367 3.371 58 H ASN 10 H ASN 10 5.762 8.689 1.748 59 HA ASN 10 HA ASN 10 7.061 11.154 2.806 60 1HB ASN 10 1HB ASN 10 9.114 10.109 3.182 61 2HB ASN 10 2HB ASN 10 7.915 9.155 4.023 62 1HD2 ASN 10 1HD2 ASN 10 7.750 6.942 3.473 63 2HD2 ASN 10 2HD2 ASN 10 8.706 6.199 2.186 64 H THR 11 H THR 11 9.213 11.449 1.430 65 HA THR 11 HA THR 11 8.224 12.339 -1.042 66 HB THR 11 HB THR 11 10.609 12.916 -1.477 67 HG1 THR 11 HG1 THR 11 11.450 11.181 -0.013 68 1HG2 THR 11 1HG2 THR 11 9.545 13.747 1.255 69 2HG2 THR 11 2HG2 THR 11 10.633 14.661 0.199 70 3HG2 THR 11 3HG2 THR 11 8.966 14.401 -0.289 71 H ASN 12 H ASN 12 9.227 9.103 -0.412 72 HA ASN 12 HA ASN 12 10.066 8.582 -3.157 73 1HB ASN 12 1HB ASN 12 10.512 7.224 -0.857 74 2HB ASN 12 2HB ASN 12 9.069 6.373 -1.404 75 1HD2 ASN 12 1HD2 ASN 12 9.166 5.633 -3.790 76 2HD2 ASN 12 2HD2 ASN 12 10.717 5.043 -4.355 77 H CYS 13 H CYS 13 6.914 9.249 -1.720 78 HA CYS 13 HA CYS 13 5.539 7.772 -3.873 79 1HB CYS 13 1HB CYS 13 5.456 7.665 -0.958 80 2HB CYS 13 2HB CYS 13 3.914 8.147 -1.556 81 H ASP 14 H ASP 14 3.320 8.676 -4.237 82 HA ASP 14 HA ASP 14 3.265 11.670 -4.175 83 1HB ASP 14 1HB ASP 14 3.126 9.859 -6.623 84 2HB ASP 14 2HB ASP 14 2.622 11.545 -6.629 85 H TYR 15 H TYR 15 1.490 8.590 -4.451 86 HA TYR 15 HA TYR 15 -0.893 9.828 -5.466 87 1HB TYR 15 1HB TYR 15 -0.367 7.066 -4.316 88 2HB TYR 15 2HB TYR 15 -1.950 7.603 -4.860 89 HD1 TYR 15 HD1 TYR 15 0.804 8.926 -6.928 90 HD2 TYR 15 HD2 TYR 15 -1.880 5.598 -6.305 91 HE1 TYR 15 HE1 TYR 15 1.296 8.150 -9.157 92 HE2 TYR 15 HE2 TYR 15 -1.511 4.894 -8.665 93 HH TYR 15 HH TYR 15 0.723 6.686 -10.850 94 H THR 16 H THR 16 -2.093 11.151 -4.343 95 HA THR 16 HA THR 16 -2.326 10.978 -1.423 96 HB THR 16 HB THR 16 -3.254 13.333 -1.822 97 HG1 THR 16 HG1 THR 16 -3.616 13.425 -3.941 98 1HG2 THR 16 1HG2 THR 16 -1.014 12.879 -0.914 99 2HG2 THR 16 2HG2 THR 16 -0.359 12.723 -2.557 100 3HG2 THR 16 3HG2 THR 16 -1.004 14.278 -1.991 101 H ASN 17 H ASN 17 -3.784 9.039 -2.960 102 HA ASN 17 HA ASN 17 -6.497 9.758 -1.967 103 1HB ASN 17 1HB ASN 17 -6.475 7.755 -4.132 104 2HB ASN 17 2HB ASN 17 -7.740 8.807 -3.615 105 1HD2 ASN 17 1HD2 ASN 17 -4.590 8.865 -5.169 106 2HD2 ASN 17 2HD2 ASN 17 -4.960 10.076 -6.399 107 H SER 18 H SER 18 -7.152 8.328 -0.501 108 HA SER 18 HA SER 18 -5.627 5.973 0.289 109 1HB SER 18 1HB SER 18 -8.294 7.020 1.311 110 2HB SER 18 2HB SER 18 -7.326 5.727 2.037 111 HG SER 18 HG SER 18 -6.286 7.144 3.036 112 H GLN 19 H GLN 19 -6.578 5.693 -2.441 113 HA GLN 19 HA GLN 19 -7.764 3.096 -2.076 114 1HB GLN 19 1HB GLN 19 -9.579 5.049 -2.492 115 2HB GLN 19 2HB GLN 19 -9.077 4.819 -4.153 116 1HG GLN 19 1HG GLN 19 -10.006 2.618 -2.222 117 2HG GLN 19 2HG GLN 19 -11.064 3.422 -3.379 118 1HE2 GLN 19 1HE2 GLN 19 -9.145 0.654 -2.977 119 2HE2 GLN 19 2HE2 GLN 19 -8.648 0.398 -4.621 120 H ASP 20 H ASP 20 -6.881 5.525 -4.741 121 HA ASP 20 HA ASP 20 -5.649 3.578 -6.369 122 1HB ASP 20 1HB ASP 20 -5.387 6.571 -6.112 123 2HB ASP 20 2HB ASP 20 -4.121 5.716 -6.963 124 H ALA 21 H ALA 21 -4.143 5.526 -3.709 125 HA ALA 21 HA ALA 21 -1.498 4.573 -4.105 126 1HB ALA 21 1HB ALA 21 -1.994 6.424 -2.605 127 2HB ALA 21 2HB ALA 21 -2.978 5.377 -1.557 128 3HB ALA 21 3HB ALA 21 -1.239 5.106 -1.680 129 H TRP 22 H TRP 22 -4.083 3.352 -1.957 130 HA TRP 22 HA TRP 22 -2.838 1.046 -1.009 131 1HB TRP 22 1HB TRP 22 -4.944 1.931 -0.148 132 2HB TRP 22 2HB TRP 22 -5.765 1.607 -1.657 133 HD1 TRP 22 HD1 TRP 22 -6.587 -0.830 -2.141 134 HE1 TRP 22 HE1 TRP 22 -7.169 -2.740 -0.558 135 HE3 TRP 22 HE3 TRP 22 -3.887 0.681 1.896 136 HZ2 TRP 22 HZ2 TRP 22 -6.643 -3.449 2.241 137 HZ3 TRP 22 HZ3 TRP 22 -4.084 -0.502 4.064 138 HH2 TRP 22 HH2 TRP 22 -5.409 -2.562 4.233 139 H ASP 23 H ASP 23 -4.913 1.358 -4.015 140 HA ASP 23 HA ASP 23 -4.836 -1.346 -4.720 141 1HB ASP 23 1HB ASP 23 -5.050 1.126 -6.497 142 2HB ASP 23 2HB ASP 23 -5.122 -0.490 -7.113 143 H TYR 24 H TYR 24 -2.642 1.308 -5.734 144 HA TYR 24 HA TYR 24 -1.052 -0.359 -7.428 145 1HB TYR 24 1HB TYR 24 -0.755 2.413 -6.236 146 2HB TYR 24 2HB TYR 24 0.570 1.652 -7.087 147 HD1 TYR 24 HD1 TYR 24 -3.169 2.048 -7.747 148 HD2 TYR 24 HD2 TYR 24 0.867 2.413 -9.229 149 HE1 TYR 24 HE1 TYR 24 -4.047 2.826 -9.902 150 HE2 TYR 24 HE2 TYR 24 -0.004 3.157 -11.418 151 HH TYR 24 HH TYR 24 -2.403 4.391 -12.157 152 H CYS 25 H CYS 25 -0.855 0.598 -3.996 153 HA CYS 25 HA CYS 25 1.695 -0.547 -3.388 154 1HB CYS 25 1HB CYS 25 -0.765 -0.242 -1.615 155 2HB CYS 25 2HB CYS 25 0.809 -0.775 -1.054 156 H THR 26 H THR 26 -1.554 -1.919 -2.927 157 HA THR 26 HA THR 26 -0.745 -4.454 -1.854 158 HB THR 26 HB THR 26 -3.012 -4.883 -1.709 159 HG1 THR 26 HG1 THR 26 -3.498 -2.357 -2.949 160 1HG2 THR 26 1HG2 THR 26 -3.659 -2.955 -0.335 161 2HG2 THR 26 2HG2 THR 26 -1.982 -3.488 -0.058 162 3HG2 THR 26 3HG2 THR 26 -2.306 -2.024 -0.952 163 H ASN 27 H ASN 27 -0.332 -3.460 -4.945 164 HA ASN 27 HA ASN 27 -0.145 -4.248 -6.979 165 1HB ASN 27 1HB ASN 27 1.269 -6.046 -5.662 166 2HB ASN 27 2HB ASN 27 -0.062 -7.120 -6.074 167 1HD2 ASN 27 1HD2 ASN 27 0.450 -8.307 -7.973 168 2HD2 ASN 27 2HD2 ASN 27 1.524 -7.682 -9.208 169 H TYR 28 H TYR 28 -2.749 -3.926 -5.779 170 HA TYR 28 HA TYR 28 -4.658 -5.708 -6.983 171 1HB TYR 28 1HB TYR 28 -5.067 -3.955 -5.187 172 2HB TYR 28 2HB TYR 28 -4.867 -2.738 -6.448 173 HD1 TYR 28 HD1 TYR 28 -6.958 -5.614 -5.379 174 HD2 TYR 28 HD2 TYR 28 -6.697 -2.046 -7.770 175 HE1 TYR 28 HE1 TYR 28 -9.288 -5.943 -6.075 176 HE2 TYR 28 HE2 TYR 28 -8.960 -2.376 -8.563 177 HH TYR 28 HH TYR 28 -10.654 -5.299 -8.258 178 H ILE 29 H ILE 29 -2.881 -2.755 -7.877 179 HA ILE 29 HA ILE 29 -3.413 -3.162 -10.773 180 HB ILE 29 HB ILE 29 -2.811 -0.628 -9.221 181 1HG1 ILE 29 1HG1 ILE 29 -5.147 -1.560 -9.077 182 2HG1 ILE 29 2HG1 ILE 29 -4.984 0.063 -9.638 183 1HG2 ILE 29 1HG2 ILE 29 -3.215 0.486 -11.472 184 2HG2 ILE 29 2HG2 ILE 29 -1.690 -0.397 -11.321 185 3HG2 ILE 29 3HG2 ILE 29 -3.047 -1.118 -12.217 186 1HD1 ILE 29 1HD1 ILE 29 -5.437 -0.701 -11.971 187 2HD1 ILE 29 2HD1 ILE 29 -5.498 -2.389 -11.396 188 3HD1 ILE 29 3HD1 ILE 29 -6.719 -1.219 -10.864 189 H VAL 30 H VAL 30 -1.673 -4.029 -11.688 190 HA VAL 30 HA VAL 30 0.928 -4.193 -10.477 191 HB VAL 30 HB VAL 30 -0.150 -4.793 -13.226 192 1HG1 VAL 30 1HG1 VAL 30 2.273 -4.147 -13.466 193 2HG1 VAL 30 2HG1 VAL 30 2.669 -5.367 -12.242 194 3HG1 VAL 30 3HG1 VAL 30 1.974 -5.851 -13.799 195 1HG2 VAL 30 1HG2 VAL 30 -0.825 -6.315 -11.438 196 2HG2 VAL 30 2HG2 VAL 30 0.455 -7.143 -12.357 197 3HG2 VAL 30 3HG2 VAL 30 0.836 -6.317 -10.818 198 H ASN 31 H ASN 31 2.623 -2.933 -10.714 199 HA ASN 31 HA ASN 31 2.799 -0.840 -12.733 200 1HB ASN 31 1HB ASN 31 2.782 1.108 -11.329 201 2HB ASN 31 2HB ASN 31 1.230 0.309 -11.214 202 1HD2 ASN 31 1HD2 ASN 31 0.991 -1.263 -9.170 203 2HD2 ASN 31 2HD2 ASN 31 1.785 -0.732 -7.730 204 H SER 32 H SER 32 4.068 -1.590 -9.417 205 HA SER 32 HA SER 32 6.798 -1.849 -10.591 206 1HB SER 32 1HB SER 32 5.840 -0.326 -8.142 207 2HB SER 32 2HB SER 32 7.541 -0.713 -8.415 208 HG SER 32 HG SER 32 6.878 1.365 -9.117 209 H SER 33 H SER 33 8.185 -2.787 -8.568 210 HA SER 33 HA SER 33 7.204 -5.389 -7.938 211 1HB SER 33 1HB SER 33 9.640 -3.752 -7.193 212 2HB SER 33 2HB SER 33 9.347 -5.352 -6.485 213 HG SER 33 HG SER 33 9.327 -6.283 -8.420 214 H CYS 34 H CYS 34 5.905 -2.802 -6.783 215 HA CYS 34 HA CYS 34 4.731 -2.232 -4.829 216 1HB CYS 34 1HB CYS 34 2.984 -4.130 -4.772 217 2HB CYS 34 2HB CYS 34 3.330 -3.359 -6.301 218 H GLY 35 H GLY 35 3.602 -4.390 -3.044 219 1HA GLY 35 1HA GLY 35 4.136 -5.734 -1.270 220 2HA GLY 35 2HA GLY 35 5.845 -5.527 -1.604 221 H GLU 36 H GLU 36 5.873 -5.379 0.776 222 HA GLU 36 HA GLU 36 4.363 -3.651 2.360 223 1HB GLU 36 1HB GLU 36 5.801 -4.182 4.120 224 2HB GLU 36 2HB GLU 36 5.647 -5.608 3.076 225 1HG GLU 36 1HG GLU 36 7.897 -4.896 2.031 226 2HG GLU 36 2HG GLU 36 7.975 -3.659 3.310 227 H ILE 37 H ILE 37 7.299 -3.035 0.570 228 HA ILE 37 HA ILE 37 8.277 -0.623 1.650 229 HB ILE 37 HB ILE 37 8.376 -1.818 -1.123 230 1HG1 ILE 37 1HG1 ILE 37 10.212 -1.757 1.324 231 2HG1 ILE 37 2HG1 ILE 37 9.387 -3.156 0.642 232 1HG2 ILE 37 1HG2 ILE 37 8.674 0.590 -1.410 233 2HG2 ILE 37 2HG2 ILE 37 9.716 0.697 -0.012 234 3HG2 ILE 37 3HG2 ILE 37 10.258 -0.138 -1.504 235 1HD1 ILE 37 1HD1 ILE 37 11.659 -1.623 -0.591 236 2HD1 ILE 37 2HD1 ILE 37 11.650 -3.294 0.007 237 3HD1 ILE 37 3HD1 ILE 37 10.706 -2.866 -1.445 238 H CYS 38 H CYS 38 6.032 -1.171 -1.122 239 HA CYS 38 HA CYS 38 5.625 1.596 -1.587 240 1HB CYS 38 1HB CYS 38 5.176 -0.314 -3.154 241 2HB CYS 38 2HB CYS 38 3.704 -0.684 -2.267 242 H CYS 39 H CYS 39 3.901 -0.720 0.535 243 HA CYS 39 HA CYS 39 1.861 1.020 1.512 244 1HB CYS 39 1HB CYS 39 3.441 -0.968 3.157 245 2HB CYS 39 2HB CYS 39 1.829 -0.354 3.401 246 H ASN 40 H ASN 40 5.161 0.331 2.808 247 HA ASN 40 HA ASN 40 5.114 2.161 4.912 248 1HB ASN 40 1HB ASN 40 7.158 0.614 3.405 249 2HB ASN 40 2HB ASN 40 7.792 2.102 4.011 250 1HD2 ASN 40 1HD2 ASN 40 5.461 -0.372 5.295 251 2HD2 ASN 40 2HD2 ASN 40 6.496 -0.760 6.666 252 H ASP 41 H ASP 41 5.723 2.746 1.493 253 HA ASP 41 HA ASP 41 6.843 5.374 1.986 254 1HB ASP 41 1HB ASP 41 6.427 3.651 -0.446 255 2HB ASP 41 2HB ASP 41 6.774 5.357 -0.636 256 H CYS 42 H CYS 42 3.668 4.158 0.972 257 HA CYS 42 HA CYS 42 2.737 6.973 0.668 258 1HB CYS 42 1HB CYS 42 1.761 4.342 -0.226 259 2HB CYS 42 2HB CYS 42 0.506 5.328 0.512 260 H PHE 43 H PHE 43 2.906 4.500 3.100 261 HA PHE 43 HA PHE 43 0.814 5.801 4.752 262 1HB PHE 43 1HB PHE 43 1.358 2.825 4.281 263 2HB PHE 43 2HB PHE 43 0.306 3.459 5.491 264 HD1 PHE 43 HD1 PHE 43 -1.835 4.461 4.972 265 HD2 PHE 43 HD2 PHE 43 0.589 2.735 1.848 266 HE1 PHE 43 HE1 PHE 43 -3.811 4.356 3.477 267 HE2 PHE 43 HE2 PHE 43 -1.382 2.581 0.401 268 HZ PHE 43 HZ PHE 43 -3.599 3.363 1.211 269 H ASP 44 H ASP 44 1.176 5.848 6.908 270 HA ASP 44 HA ASP 44 3.676 5.409 8.208 271 1HB ASP 44 1HB ASP 44 1.622 5.102 10.121 272 2HB ASP 44 2HB ASP 44 2.638 6.480 9.838 273 H GLU 45 H GLU 45 3.362 3.775 10.334 274 HA GLU 45 HA GLU 45 3.760 1.138 9.264 275 1HB GLU 45 1HB GLU 45 3.353 2.199 12.042 276 2HB GLU 45 2HB GLU 45 3.769 0.531 11.684 277 1HG GLU 45 1HG GLU 45 5.919 1.188 10.758 278 2HG GLU 45 2HG GLU 45 5.528 2.906 10.955 279 H THR 46 H THR 46 1.051 2.758 11.003 280 HA THR 46 HA THR 46 -0.136 0.265 11.688 281 HB THR 46 HB THR 46 -1.408 3.022 11.707 282 HG1 THR 46 HG1 THR 46 0.408 1.705 13.437 283 1HG2 THR 46 1HG2 THR 46 -2.626 2.168 13.687 284 2HG2 THR 46 2HG2 THR 46 -3.000 1.214 12.255 285 3HG2 THR 46 3HG2 THR 46 -1.871 0.571 13.471 286 H GLY 47 H GLY 47 -1.004 2.683 9.151 287 1HA GLY 47 1HA GLY 47 -3.191 1.216 7.971 288 2HA GLY 47 2HA GLY 47 -2.259 2.526 7.273 289 H THR 48 H THR 48 0.449 1.409 7.538 290 HA THR 48 HA THR 48 0.639 -0.302 5.313 291 HB THR 48 HB THR 48 2.587 0.158 7.589 292 HG1 THR 48 HG1 THR 48 2.643 1.750 6.210 293 1HG2 THR 48 1HG2 THR 48 2.889 -2.208 6.888 294 2HG2 THR 48 2HG2 THR 48 3.064 -1.662 5.208 295 3HG2 THR 48 3HG2 THR 48 4.207 -1.163 6.475 296 H GLY 49 H GLY 49 0.381 -1.292 8.816 297 1HA GLY 49 1HA GLY 49 0.776 -3.960 8.317 298 2HA GLY 49 2HA GLY 49 -0.281 -3.394 9.622 299 H ALA 50 H ALA 50 -2.286 -2.227 7.926 300 HA ALA 50 HA ALA 50 -3.914 -4.486 7.133 301 1HB ALA 50 1HB ALA 50 -4.725 -2.180 7.931 302 2HB ALA 50 2HB ALA 50 -4.106 -1.508 6.411 303 3HB ALA 50 3HB ALA 50 -5.444 -2.681 6.390 304 H CYS 51 H CYS 51 -1.992 -2.115 5.309 305 HA CYS 51 HA CYS 51 -2.842 -2.956 2.759 306 1HB CYS 51 1HB CYS 51 -1.963 -0.743 3.620 307 2HB CYS 51 2HB CYS 51 -0.347 -1.436 3.575 308 H ARG 52 H ARG 52 -0.189 -3.914 4.947 309 HA ARG 52 HA ARG 52 1.210 -5.483 3.073 310 1HB ARG 52 1HB ARG 52 1.152 -5.846 6.073 311 2HB ARG 52 2HB ARG 52 2.143 -6.706 4.863 312 1HG ARG 52 1HG ARG 52 3.247 -4.682 4.148 313 2HG ARG 52 2HG ARG 52 2.240 -3.778 5.266 314 1HD ARG 52 1HD ARG 52 4.320 -3.969 6.355 315 2HD ARG 52 2HD ARG 52 3.229 -5.100 7.161 316 HE ARG 52 HE ARG 52 5.019 -6.107 4.995 317 1HH1 ARG 52 2HH2 ARG 52 4.531 -5.758 8.498 318 2HH1 ARG 52 1HH2 ARG 52 5.456 -7.165 8.921 319 1HH2 ARG 52 2HH1 ARG 52 6.692 -7.512 5.625 320 2HH2 ARG 52 1HH1 ARG 52 6.768 -8.212 7.204 321 H ALA 53 H ALA 53 -1.446 -6.407 5.344 322 HA ALA 53 HA ALA 53 -1.537 -9.119 4.574 323 1HB ALA 53 1HB ALA 53 -3.014 -8.219 6.364 324 2HB ALA 53 2HB ALA 53 -3.961 -7.339 5.128 325 3HB ALA 53 3HB ALA 53 -3.930 -9.098 5.122 326 H GLN 54 H GLN 54 -3.128 -6.317 3.065 327 HA GLN 54 HA GLN 54 -4.258 -7.780 0.912 328 1HB GLN 54 1HB GLN 54 -4.744 -5.357 1.778 329 2HB GLN 54 2HB GLN 54 -3.436 -4.901 0.764 330 1HG GLN 54 1HG GLN 54 -5.478 -4.573 -0.439 331 2HG GLN 54 2HG GLN 54 -4.659 -5.911 -1.205 332 1HE2 GLN 54 1HE2 GLN 54 -6.996 -6.002 -1.965 333 2HE2 GLN 54 2HE2 GLN 54 -8.076 -7.135 -1.165 334 H ALA 55 H ALA 55 -0.908 -7.147 1.279 335 HA ALA 55 HA ALA 55 -0.537 -7.718 -1.649 336 1HB ALA 55 1HB ALA 55 1.522 -7.015 0.451 337 2HB ALA 55 2HB ALA 55 1.820 -7.191 -1.284 338 3HB ALA 55 3HB ALA 55 0.768 -5.874 -0.712 339 H PHE 56 H PHE 56 0.513 -8.686 1.592 340 HA PHE 56 HA PHE 56 1.930 -10.905 1.255 341 1HB PHE 56 1HB PHE 56 1.376 -9.565 3.378 342 2HB PHE 56 2HB PHE 56 -0.103 -10.477 3.458 343 HD1 PHE 56 HD1 PHE 56 0.066 -11.731 5.395 344 HD2 PHE 56 HD2 PHE 56 3.419 -11.776 2.632 345 HE1 PHE 56 HE1 PHE 56 1.242 -13.373 6.812 346 HE2 PHE 56 HE2 PHE 56 4.526 -13.448 4.035 347 HZ PHE 56 HZ PHE 56 3.500 -14.206 6.167 348 H GLY 57 H GLY 57 -1.545 -11.088 2.130 349 1HA GLY 57 1HA GLY 57 -1.592 -13.915 1.227 350 2HA GLY 57 2HA GLY 57 -2.839 -13.082 2.158 351 H ASN 58 H ASN 58 -2.485 -10.929 -0.165 352 HA ASN 58 HA ASN 58 -5.030 -11.925 -1.207 353 1HB ASN 58 1HB ASN 58 -5.214 -9.807 -0.120 354 2HB ASN 58 2HB ASN 58 -3.748 -9.281 -0.901 355 1HD2 ASN 58 1HD2 ASN 58 -4.145 -7.686 -2.466 356 2HD2 ASN 58 2HD2 ASN 58 -5.547 -7.733 -3.535 357 H SER 59 H SER 59 -2.700 -9.749 -2.944 358 HA SER 59 HA SER 59 -2.954 -11.595 -5.305 359 1HB SER 59 1HB SER 59 -3.178 -8.596 -5.027 360 2HB SER 59 2HB SER 59 -2.519 -9.286 -6.512 361 HG SER 59 HG SER 59 -4.631 -9.250 -6.876 362 H CYS 60 H CYS 60 -0.715 -9.419 -3.575 363 HA CYS 60 HA CYS 60 1.261 -9.442 -5.659 364 1HB CYS 60 1HB CYS 60 0.837 -7.672 -3.923 365 2HB CYS 60 2HB CYS 60 1.469 -8.790 -2.708 366 H LEU 61 H LEU 61 2.730 -11.009 -6.108 367 HA LEU 61 HA LEU 61 2.657 -13.558 -5.294 368 1HB LEU 61 1HB LEU 61 3.819 -12.515 -7.288 369 2HB LEU 61 2HB LEU 61 5.144 -12.045 -6.238 370 HG LEU 61 HG LEU 61 5.620 -13.965 -7.637 371 1HD1 LEU 61 1HD1 LEU 61 5.527 -15.042 -4.812 372 2HD1 LEU 61 2HD1 LEU 61 6.718 -15.313 -6.095 373 3HD1 LEU 61 3HD1 LEU 61 6.625 -13.734 -5.314 374 1HD2 LEU 61 1HD2 LEU 61 3.473 -15.472 -6.104 375 2HD2 LEU 61 2HD2 LEU 61 3.317 -14.867 -7.764 376 3HD2 LEU 61 3HD2 LEU 61 4.509 -16.107 -7.379 377 H ASN 62 H ASN 62 5.008 -11.158 -4.123 378 HA ASN 62 HA ASN 62 5.075 -12.406 -1.449 379 1HB ASN 62 1HB ASN 62 7.489 -11.535 -3.073 380 2HB ASN 62 2HB ASN 62 7.493 -11.704 -1.318 381 1HD2 ASN 62 1HD2 ASN 62 9.043 -13.176 -3.432 382 2HD2 ASN 62 2HD2 ASN 62 8.712 -14.870 -3.079 383 H TRP 63 H TRP 63 4.905 -10.771 0.084 384 HA TRP 63 HA TRP 63 4.513 -7.994 -0.669 385 1HB TRP 63 1HB TRP 63 4.508 -7.617 1.731 386 2HB TRP 63 2HB TRP 63 3.427 -8.912 1.286 387 HD1 TRP 63 HD1 TRP 63 6.570 -10.691 1.482 388 HE1 TRP 63 HE1 TRP 63 7.067 -11.627 3.822 389 HE3 TRP 63 HE3 TRP 63 3.003 -8.270 3.949 390 HZ2 TRP 63 HZ2 TRP 63 5.932 -11.348 6.504 391 HZ3 TRP 63 HZ3 TRP 63 2.628 -8.555 6.436 392 HH2 TRP 63 HH2 TRP 63 4.120 -10.119 7.709 Start of MODEL 9 1 1H THR 1 1H THR 1 -8.777 -1.088 10.518 2 HA THR 1 HA THR 1 -8.215 1.468 11.816 3 HB THR 1 HB THR 1 -6.256 -0.424 11.533 4 HG1 THR 1 HG1 THR 1 -5.757 2.346 11.591 5 1HG2 THR 1 1HG2 THR 1 -4.599 0.421 9.977 6 2HG2 THR 1 2HG2 THR 1 -6.039 -0.101 9.088 7 3HG2 THR 1 3HG2 THR 1 -5.748 1.622 9.365 8 H ASP 2 H ASP 2 -8.372 -0.340 8.678 9 HA ASP 2 HA ASP 2 -9.147 0.214 6.646 10 1HB ASP 2 1HB ASP 2 -10.864 1.634 8.120 11 2HB ASP 2 2HB ASP 2 -9.939 2.966 7.449 12 HA PRO 3 HA PRO 3 -5.761 2.970 5.228 13 1HB PRO 3 1HB PRO 3 -6.383 3.376 2.584 14 2HB PRO 3 2HB PRO 3 -5.635 1.896 3.237 15 1HG PRO 3 1HG PRO 3 -8.534 2.386 2.602 16 2HG PRO 3 2HG PRO 3 -7.541 0.949 2.211 17 1HD PRO 3 1HD PRO 3 -9.207 0.942 4.366 18 2HD PRO 3 2HD PRO 3 -7.626 0.176 4.434 19 H GLU 4 H GLU 4 -9.087 3.662 5.178 20 HA GLU 4 HA GLU 4 -9.489 6.223 4.336 21 1HB GLU 4 1HB GLU 4 -11.133 4.737 5.606 22 2HB GLU 4 2HB GLU 4 -10.346 5.233 7.094 23 1HG GLU 4 1HG GLU 4 -12.214 6.641 6.962 24 2HG GLU 4 2HG GLU 4 -10.997 7.685 6.234 25 H GLU 5 H GLU 5 -8.102 5.445 7.559 26 HA GLU 5 HA GLU 5 -7.618 8.334 8.012 27 1HB GLU 5 1HB GLU 5 -8.124 6.117 10.019 28 2HB GLU 5 2HB GLU 5 -7.884 7.844 10.362 29 1HG GLU 5 1HG GLU 5 -9.837 8.250 8.695 30 2HG GLU 5 2HG GLU 5 -10.176 6.530 8.895 31 H HIS 6 H HIS 6 -5.808 6.538 6.528 32 HA HIS 6 HA HIS 6 -3.376 7.022 8.155 33 1HB HIS 6 1HB HIS 6 -4.243 4.347 6.980 34 2HB HIS 6 2HB HIS 6 -2.575 4.741 7.416 35 HD1 HIS 6 HD1 HIS 6 -2.035 5.137 9.975 36 HD2 HIS 6 HD2 HIS 6 -6.041 4.215 9.123 37 HE1 HIS 6 HE1 HIS 6 -3.073 4.361 12.187 38 H PHE 7 H PHE 7 -2.415 8.435 6.917 39 HA PHE 7 HA PHE 7 -1.293 7.425 4.396 40 1HB PHE 7 1HB PHE 7 -2.982 9.804 4.559 41 2HB PHE 7 2HB PHE 7 -1.338 10.298 4.240 42 HD1 PHE 7 HD1 PHE 7 -0.089 8.720 2.377 43 HD2 PHE 7 HD2 PHE 7 -4.341 9.413 2.675 44 HE1 PHE 7 HE1 PHE 7 -0.336 8.200 -0.020 45 HE2 PHE 7 HE2 PHE 7 -4.592 8.839 0.303 46 HZ PHE 7 HZ PHE 7 -2.589 8.207 -1.068 47 H ASP 8 H ASP 8 0.935 7.581 4.574 48 HA ASP 8 HA ASP 8 2.118 9.818 5.937 49 1HB ASP 8 1HB ASP 8 2.167 8.151 7.834 50 2HB ASP 8 2HB ASP 8 3.035 7.034 6.806 51 HA PRO 9 HA PRO 9 3.662 8.144 1.926 52 1HB PRO 9 1HB PRO 9 3.393 10.405 0.368 53 2HB PRO 9 2HB PRO 9 2.155 9.157 0.561 54 1HG PRO 9 1HG PRO 9 2.280 11.896 1.725 55 2HG PRO 9 2HG PRO 9 0.858 10.849 1.453 56 1HD PRO 9 1HD PRO 9 2.282 11.305 3.916 57 2HD PRO 9 2HD PRO 9 0.927 10.184 3.644 58 H ASN 10 H ASN 10 5.762 8.000 1.884 59 HA ASN 10 HA ASN 10 7.548 10.109 2.838 60 1HB ASN 10 1HB ASN 10 8.148 7.603 1.208 61 2HB ASN 10 2HB ASN 10 9.361 8.625 1.945 62 1HD2 ASN 10 1HD2 ASN 10 9.185 5.889 2.497 63 2HD2 ASN 10 2HD2 ASN 10 8.431 5.641 4.030 64 H THR 11 H THR 11 9.476 10.499 1.180 65 HA THR 11 HA THR 11 8.631 12.095 -1.031 66 HB THR 11 HB THR 11 11.079 12.250 -1.410 67 HG1 THR 11 HG1 THR 11 12.362 11.042 -0.334 68 1HG2 THR 11 1HG2 THR 11 11.551 13.530 0.641 69 2HG2 THR 11 2HG2 THR 11 9.959 13.903 -0.031 70 3HG2 THR 11 3HG2 THR 11 10.086 12.871 1.405 71 H ASN 12 H ASN 12 7.747 9.277 -1.238 72 HA ASN 12 HA ASN 12 9.115 8.265 -3.666 73 1HB ASN 12 1HB ASN 12 8.470 6.798 -1.060 74 2HB ASN 12 2HB ASN 12 8.815 5.993 -2.566 75 1HD2 ASN 12 1HD2 ASN 12 10.361 8.592 -0.584 76 2HD2 ASN 12 2HD2 ASN 12 11.932 7.859 -0.600 77 H CYS 13 H CYS 13 6.098 8.831 -1.814 78 HA CYS 13 HA CYS 13 4.466 7.066 -3.462 79 1HB CYS 13 1HB CYS 13 4.019 7.797 -1.060 80 2HB CYS 13 2HB CYS 13 3.705 9.412 -1.686 81 H ASP 14 H ASP 14 2.503 8.300 -4.566 82 HA ASP 14 HA ASP 14 3.125 11.039 -5.432 83 1HB ASP 14 1HB ASP 14 3.765 9.571 -7.352 84 2HB ASP 14 2HB ASP 14 2.075 9.046 -7.439 85 H TYR 15 H TYR 15 0.675 8.426 -5.613 86 HA TYR 15 HA TYR 15 -1.553 10.098 -5.855 87 1HB TYR 15 1HB TYR 15 -1.288 7.309 -4.668 88 2HB TYR 15 2HB TYR 15 -2.829 8.060 -5.085 89 HD1 TYR 15 HD1 TYR 15 -2.831 9.089 -7.591 90 HD2 TYR 15 HD2 TYR 15 -0.533 5.721 -6.219 91 HE1 TYR 15 HE1 TYR 15 -2.741 8.211 -9.918 92 HE2 TYR 15 HE2 TYR 15 -0.409 4.861 -8.541 93 HH TYR 15 HH TYR 15 -0.866 6.437 -11.246 94 H THR 16 H THR 16 -3.109 10.868 -4.440 95 HA THR 16 HA THR 16 -2.577 10.645 -1.529 96 HB THR 16 HB THR 16 -3.328 12.888 -1.241 97 HG1 THR 16 HG1 THR 16 -4.703 12.853 -3.212 98 1HG2 THR 16 1HG2 THR 16 -0.891 12.534 -1.826 99 2HG2 THR 16 2HG2 THR 16 -1.284 12.924 -3.503 100 3HG2 THR 16 3HG2 THR 16 -1.514 14.136 -2.232 101 H ASN 17 H ASN 17 -4.250 8.807 -3.047 102 HA ASN 17 HA ASN 17 -6.885 9.371 -1.795 103 1HB ASN 17 1HB ASN 17 -6.414 7.748 -4.308 104 2HB ASN 17 2HB ASN 17 -7.896 7.797 -3.413 105 1HD2 ASN 17 1HD2 ASN 17 -5.711 9.785 -5.402 106 2HD2 ASN 17 2HD2 ASN 17 -6.965 10.900 -5.903 107 H SER 18 H SER 18 -7.719 7.567 -0.818 108 HA SER 18 HA SER 18 -5.789 5.784 0.440 109 1HB SER 18 1HB SER 18 -8.837 6.006 0.621 110 2HB SER 18 2HB SER 18 -7.836 5.016 1.689 111 HG SER 18 HG SER 18 -7.306 7.787 1.415 112 H GLN 19 H GLN 19 -7.923 5.573 -2.326 113 HA GLN 19 HA GLN 19 -7.686 2.632 -2.315 114 1HB GLN 19 1HB GLN 19 -9.884 3.861 -2.773 115 2HB GLN 19 2HB GLN 19 -9.187 4.282 -4.342 116 1HG GLN 19 1HG GLN 19 -10.572 2.322 -4.572 117 2HG GLN 19 2HG GLN 19 -8.890 1.861 -4.837 118 1HE2 GLN 19 1HE2 GLN 19 -8.196 -0.037 -3.690 119 2HE2 GLN 19 2HE2 GLN 19 -8.940 -0.542 -2.200 120 H ASP 20 H ASP 20 -6.749 5.456 -4.534 121 HA ASP 20 HA ASP 20 -5.500 3.779 -6.420 122 1HB ASP 20 1HB ASP 20 -5.065 6.688 -5.648 123 2HB ASP 20 2HB ASP 20 -4.102 5.889 -6.863 124 H ALA 21 H ALA 21 -3.964 5.520 -3.595 125 HA ALA 21 HA ALA 21 -1.377 4.522 -4.195 126 1HB ALA 21 1HB ALA 21 -1.688 6.392 -2.652 127 2HB ALA 21 2HB ALA 21 -2.558 5.336 -1.504 128 3HB ALA 21 3HB ALA 21 -0.832 5.079 -1.835 129 H TRP 22 H TRP 22 -3.901 3.247 -2.067 130 HA TRP 22 HA TRP 22 -2.617 0.963 -1.036 131 1HB TRP 22 1HB TRP 22 -4.737 1.835 -0.219 132 2HB TRP 22 2HB TRP 22 -5.525 1.517 -1.756 133 HD1 TRP 22 HD1 TRP 22 -6.094 -1.040 -2.343 134 HE1 TRP 22 HE1 TRP 22 -6.702 -2.971 -0.805 135 HE3 TRP 22 HE3 TRP 22 -4.061 0.735 1.986 136 HZ2 TRP 22 HZ2 TRP 22 -6.271 -3.705 2.017 137 HZ3 TRP 22 HZ3 TRP 22 -4.289 -0.512 4.107 138 HH2 TRP 22 HH2 TRP 22 -5.344 -2.739 4.116 139 H ASP 23 H ASP 23 -4.738 1.222 -3.992 140 HA ASP 23 HA ASP 23 -4.683 -1.511 -4.664 141 1HB ASP 23 1HB ASP 23 -5.204 1.030 -6.217 142 2HB ASP 23 2HB ASP 23 -5.096 -0.504 -7.034 143 H TYR 24 H TYR 24 -2.491 1.155 -5.683 144 HA TYR 24 HA TYR 24 -0.958 -0.519 -7.389 145 1HB TYR 24 1HB TYR 24 -0.549 2.220 -6.163 146 2HB TYR 24 2HB TYR 24 0.693 1.449 -7.124 147 HD1 TYR 24 HD1 TYR 24 0.789 2.278 -9.318 148 HD2 TYR 24 HD2 TYR 24 -3.114 1.896 -7.490 149 HE1 TYR 24 HE1 TYR 24 -0.302 3.069 -11.400 150 HE2 TYR 24 HE2 TYR 24 -4.160 2.711 -9.475 151 HH TYR 24 HH TYR 24 -3.891 3.442 -11.552 152 H CYS 25 H CYS 25 -0.414 0.603 -3.971 153 HA CYS 25 HA CYS 25 2.009 -0.729 -3.433 154 1HB CYS 25 1HB CYS 25 -0.402 -0.374 -1.596 155 2HB CYS 25 2HB CYS 25 1.186 -0.900 -1.064 156 H THR 26 H THR 26 -1.283 -2.020 -3.258 157 HA THR 26 HA THR 26 -0.464 -4.541 -2.028 158 HB THR 26 HB THR 26 -2.810 -4.923 -1.812 159 HG1 THR 26 HG1 THR 26 -3.232 -2.409 -3.043 160 1HG2 THR 26 1HG2 THR 26 -1.703 -3.604 -0.164 161 2HG2 THR 26 2HG2 THR 26 -1.886 -2.121 -1.057 162 3HG2 THR 26 3HG2 THR 26 -3.325 -2.912 -0.435 163 H ASN 27 H ASN 27 -0.222 -3.481 -5.139 164 HA ASN 27 HA ASN 27 -0.049 -4.342 -7.168 165 1HB ASN 27 1HB ASN 27 1.471 -5.924 -5.926 166 2HB ASN 27 2HB ASN 27 0.130 -7.084 -5.928 167 1HD2 ASN 27 1HD2 ASN 27 -0.475 -8.040 -7.956 168 2HD2 ASN 27 2HD2 ASN 27 0.694 -8.079 -9.273 169 H TYR 28 H TYR 28 -2.602 -3.853 -6.037 170 HA TYR 28 HA TYR 28 -4.526 -5.647 -7.304 171 1HB TYR 28 1HB TYR 28 -4.970 -3.865 -5.434 172 2HB TYR 28 2HB TYR 28 -4.750 -2.698 -6.706 173 HD1 TYR 28 HD1 TYR 28 -6.926 -5.562 -5.677 174 HD2 TYR 28 HD2 TYR 28 -6.496 -2.012 -8.063 175 HE1 TYR 28 HE1 TYR 28 -9.238 -5.738 -6.308 176 HE2 TYR 28 HE2 TYR 28 -8.778 -2.166 -8.799 177 HH TYR 28 HH TYR 28 -10.860 -3.175 -8.283 178 H ILE 29 H ILE 29 -2.530 -2.805 -8.013 179 HA ILE 29 HA ILE 29 -3.111 -3.087 -10.917 180 HB ILE 29 HB ILE 29 -2.475 -0.584 -9.343 181 1HG1 ILE 29 1HG1 ILE 29 -4.779 -1.400 -9.047 182 2HG1 ILE 29 2HG1 ILE 29 -4.702 0.137 -9.827 183 1HG2 ILE 29 1HG2 ILE 29 -2.987 0.511 -11.594 184 2HG2 ILE 29 2HG2 ILE 29 -1.437 -0.336 -11.461 185 3HG2 ILE 29 3HG2 ILE 29 -2.797 -1.089 -12.330 186 1HD1 ILE 29 1HD1 ILE 29 -6.441 -1.271 -10.806 187 2HD1 ILE 29 2HD1 ILE 29 -5.209 -0.904 -12.021 188 3HD1 ILE 29 3HD1 ILE 29 -5.250 -2.507 -11.242 189 H VAL 30 H VAL 30 -1.425 -4.084 -11.782 190 HA VAL 30 HA VAL 30 1.123 -4.384 -10.527 191 HB VAL 30 HB VAL 30 1.581 -5.300 -13.015 192 1HG1 VAL 30 1HG1 VAL 30 -0.118 -6.612 -10.873 193 2HG1 VAL 30 2HG1 VAL 30 0.775 -7.474 -12.156 194 3HG1 VAL 30 3HG1 VAL 30 1.664 -6.512 -10.947 195 1HG2 VAL 30 1HG2 VAL 30 -1.449 -5.579 -12.802 196 2HG2 VAL 30 2HG2 VAL 30 -0.632 -4.455 -13.914 197 3HG2 VAL 30 3HG2 VAL 30 -0.426 -6.199 -14.061 198 H ASN 31 H ASN 31 2.516 -2.824 -10.328 199 HA ASN 31 HA ASN 31 2.872 -0.874 -12.570 200 1HB ASN 31 1HB ASN 31 2.624 1.012 -11.172 201 2HB ASN 31 2HB ASN 31 1.189 0.026 -10.971 202 1HD2 ASN 31 1HD2 ASN 31 1.187 -1.457 -8.903 203 2HD2 ASN 31 2HD2 ASN 31 2.024 -0.852 -7.504 204 H SER 32 H SER 32 4.133 -2.025 -9.413 205 HA SER 32 HA SER 32 6.903 -1.463 -10.323 206 1HB SER 32 1HB SER 32 5.415 -0.300 -7.943 207 2HB SER 32 2HB SER 32 7.181 -0.257 -8.101 208 HG SER 32 HG SER 32 7.094 0.991 -9.802 209 H SER 33 H SER 33 8.281 -1.978 -8.025 210 HA SER 33 HA SER 33 8.025 -4.776 -7.488 211 1HB SER 33 1HB SER 33 9.811 -2.554 -6.728 212 2HB SER 33 2HB SER 33 9.460 -3.616 -5.389 213 HG SER 33 HG SER 33 10.993 -4.713 -6.202 214 H CYS 34 H CYS 34 5.904 -2.348 -6.514 215 HA CYS 34 HA CYS 34 4.554 -1.988 -4.692 216 1HB CYS 34 1HB CYS 34 3.017 -4.048 -4.637 217 2HB CYS 34 2HB CYS 34 3.262 -3.176 -6.119 218 H GLY 35 H GLY 35 3.698 -4.329 -2.923 219 1HA GLY 35 1HA GLY 35 4.448 -5.706 -1.270 220 2HA GLY 35 2HA GLY 35 6.106 -5.172 -1.549 221 H GLU 36 H GLU 36 5.964 -5.386 0.890 222 HA GLU 36 HA GLU 36 4.429 -3.609 2.512 223 1HB GLU 36 1HB GLU 36 5.791 -4.199 4.294 224 2HB GLU 36 2HB GLU 36 5.522 -5.661 3.327 225 1HG GLU 36 1HG GLU 36 7.859 -5.410 2.442 226 2HG GLU 36 2HG GLU 36 8.071 -3.989 3.487 227 H ILE 37 H ILE 37 7.531 -3.270 0.877 228 HA ILE 37 HA ILE 37 8.522 -0.899 2.042 229 HB ILE 37 HB ILE 37 8.749 -1.907 -0.778 230 1HG1 ILE 37 1HG1 ILE 37 10.451 -2.157 1.753 231 2HG1 ILE 37 2HG1 ILE 37 9.535 -3.462 0.985 232 1HG2 ILE 37 1HG2 ILE 37 10.684 -0.323 -0.915 233 2HG2 ILE 37 2HG2 ILE 37 9.220 0.596 -0.591 234 3HG2 ILE 37 3HG2 ILE 37 10.331 0.264 0.726 235 1HD1 ILE 37 1HD1 ILE 37 11.947 -2.046 -0.046 236 2HD1 ILE 37 2HD1 ILE 37 11.776 -3.760 0.380 237 3HD1 ILE 37 3HD1 ILE 37 10.947 -3.114 -1.067 238 H CYS 38 H CYS 38 6.249 -1.407 -0.727 239 HA CYS 38 HA CYS 38 5.984 1.360 -1.301 240 1HB CYS 38 1HB CYS 38 5.426 -0.592 -2.789 241 2HB CYS 38 2HB CYS 38 3.922 -0.787 -1.868 242 H CYS 39 H CYS 39 4.183 -0.817 0.896 243 HA CYS 39 HA CYS 39 2.240 1.054 1.887 244 1HB CYS 39 1HB CYS 39 3.592 -1.138 3.462 245 2HB CYS 39 2HB CYS 39 2.004 -0.449 3.660 246 H ASN 40 H ASN 40 5.584 0.221 3.053 247 HA ASN 40 HA ASN 40 5.666 1.952 5.265 248 1HB ASN 40 1HB ASN 40 7.666 0.531 3.471 249 2HB ASN 40 2HB ASN 40 8.246 1.694 4.589 250 1HD2 ASN 40 1HD2 ASN 40 5.438 -0.176 5.675 251 2HD2 ASN 40 2HD2 ASN 40 6.407 -1.298 6.630 252 H ASP 41 H ASP 41 5.954 2.562 1.851 253 HA ASP 41 HA ASP 41 7.023 5.273 2.212 254 1HB ASP 41 1HB ASP 41 6.719 3.406 -0.146 255 2HB ASP 41 2HB ASP 41 7.017 5.123 -0.346 256 H CYS 42 H CYS 42 3.983 4.043 2.396 257 HA CYS 42 HA CYS 42 2.716 6.494 1.235 258 1HB CYS 42 1HB CYS 42 1.781 3.633 1.018 259 2HB CYS 42 2HB CYS 42 0.737 5.034 0.759 260 H PHE 43 H PHE 43 2.747 4.092 3.871 261 HA PHE 43 HA PHE 43 0.410 5.386 5.193 262 1HB PHE 43 1HB PHE 43 1.075 2.463 4.695 263 2HB PHE 43 2HB PHE 43 -0.116 2.993 5.872 264 HD1 PHE 43 HD1 PHE 43 -2.258 3.999 5.179 265 HD2 PHE 43 HD2 PHE 43 0.485 2.337 2.295 266 HE1 PHE 43 HE1 PHE 43 -4.067 3.907 3.493 267 HE2 PHE 43 HE2 PHE 43 -1.329 2.233 0.632 268 HZ PHE 43 HZ PHE 43 -3.615 3.038 1.227 269 H ASP 44 H ASP 44 0.610 5.433 7.388 270 HA ASP 44 HA ASP 44 3.162 5.083 8.715 271 1HB ASP 44 1HB ASP 44 0.324 5.222 9.853 272 2HB ASP 44 2HB ASP 44 1.680 4.822 10.832 273 H GLU 45 H GLU 45 3.572 3.413 10.392 274 HA GLU 45 HA GLU 45 3.560 0.873 9.371 275 1HB GLU 45 1HB GLU 45 3.681 1.683 12.250 276 2HB GLU 45 2HB GLU 45 4.169 0.121 11.577 277 1HG GLU 45 1HG GLU 45 5.808 1.358 10.097 278 2HG GLU 45 2HG GLU 45 5.458 2.813 11.038 279 H THR 46 H THR 46 1.059 2.288 11.441 280 HA THR 46 HA THR 46 -0.442 -0.109 11.974 281 HB THR 46 HB THR 46 -1.263 2.822 11.857 282 HG1 THR 46 HG1 THR 46 0.327 2.350 13.464 283 1HG2 THR 46 1HG2 THR 46 -3.172 2.189 13.271 284 2HG2 THR 46 2HG2 THR 46 -3.248 1.292 11.760 285 3HG2 THR 46 3HG2 THR 46 -2.668 0.489 13.231 286 H GLY 47 H GLY 47 -0.849 2.465 9.424 287 1HA GLY 47 1HA GLY 47 -3.096 1.168 8.165 288 2HA GLY 47 2HA GLY 47 -2.101 2.477 7.505 289 H THR 48 H THR 48 0.435 1.233 7.691 290 HA THR 48 HA THR 48 0.638 -0.377 5.426 291 HB THR 48 HB THR 48 2.412 0.237 7.797 292 HG1 THR 48 HG1 THR 48 2.764 1.735 6.269 293 1HG2 THR 48 1HG2 THR 48 2.888 -2.211 7.186 294 2HG2 THR 48 2HG2 THR 48 3.405 -1.596 5.604 295 3HG2 THR 48 3HG2 THR 48 4.203 -1.056 7.097 296 H GLY 49 H GLY 49 0.290 -1.467 8.924 297 1HA GLY 49 1HA GLY 49 0.762 -4.146 8.312 298 2HA GLY 49 2HA GLY 49 -0.295 -3.591 9.640 299 H ALA 50 H ALA 50 -2.221 -2.327 7.728 300 HA ALA 50 HA ALA 50 -3.883 -4.635 7.020 301 1HB ALA 50 1HB ALA 50 -4.707 -2.324 7.804 302 2HB ALA 50 2HB ALA 50 -4.144 -1.688 6.261 303 3HB ALA 50 3HB ALA 50 -5.445 -2.906 6.302 304 H CYS 51 H CYS 51 -1.995 -2.128 5.267 305 HA CYS 51 HA CYS 51 -2.797 -2.885 2.683 306 1HB CYS 51 1HB CYS 51 -2.024 -0.687 3.538 307 2HB CYS 51 2HB CYS 51 -0.377 -1.319 3.609 308 H ARG 52 H ARG 52 -0.102 -3.751 4.819 309 HA ARG 52 HA ARG 52 1.344 -5.372 3.027 310 1HB ARG 52 1HB ARG 52 1.137 -5.542 6.066 311 2HB ARG 52 2HB ARG 52 2.144 -6.582 5.035 312 1HG ARG 52 1HG ARG 52 3.292 -4.605 4.119 313 2HG ARG 52 2HG ARG 52 2.324 -3.600 5.173 314 1HD ARG 52 1HD ARG 52 4.449 -3.795 6.214 315 2HD ARG 52 2HD ARG 52 3.323 -4.796 7.153 316 HE ARG 52 HE ARG 52 4.833 -6.204 5.045 317 1HH1 ARG 52 2HH2 ARG 52 5.415 -4.776 8.207 318 2HH1 ARG 52 1HH2 ARG 52 6.432 -6.045 8.749 319 1HH2 ARG 52 2HH1 ARG 52 6.478 -7.668 5.705 320 2HH2 ARG 52 1HH1 ARG 52 6.912 -7.861 7.333 321 H ALA 53 H ALA 53 -1.365 -6.230 5.316 322 HA ALA 53 HA ALA 53 -1.424 -8.947 4.575 323 1HB ALA 53 1HB ALA 53 -2.898 -7.989 6.341 324 2HB ALA 53 2HB ALA 53 -3.916 -7.265 5.067 325 3HB ALA 53 3HB ALA 53 -3.762 -9.018 5.178 326 H GLN 54 H GLN 54 -2.896 -6.182 2.898 327 HA GLN 54 HA GLN 54 -3.992 -7.732 0.726 328 1HB GLN 54 1HB GLN 54 -4.698 -5.408 1.591 329 2HB GLN 54 2HB GLN 54 -3.341 -4.804 0.746 330 1HG GLN 54 1HG GLN 54 -4.875 -4.488 -0.896 331 2HG GLN 54 2HG GLN 54 -4.494 -6.142 -1.299 332 1HE2 GLN 54 1HE2 GLN 54 -6.604 -6.171 -2.394 333 2HE2 GLN 54 2HE2 GLN 54 -8.095 -6.209 -1.458 334 H ALA 55 H ALA 55 -0.705 -6.872 1.402 335 HA ALA 55 HA ALA 55 -0.030 -7.478 -1.402 336 1HB ALA 55 1HB ALA 55 0.760 -5.211 -0.446 337 2HB ALA 55 2HB ALA 55 1.720 -6.122 0.731 338 3HB ALA 55 3HB ALA 55 2.082 -6.251 -1.000 339 H PHE 56 H PHE 56 -0.195 -8.946 1.590 340 HA PHE 56 HA PHE 56 2.268 -10.553 1.299 341 1HB PHE 56 1HB PHE 56 1.647 -9.483 3.524 342 2HB PHE 56 2HB PHE 56 0.180 -10.412 3.519 343 HD1 PHE 56 HD1 PHE 56 3.715 -11.546 2.626 344 HD2 PHE 56 HD2 PHE 56 0.314 -11.967 5.253 345 HE1 PHE 56 HE1 PHE 56 4.799 -13.463 3.756 346 HE2 PHE 56 HE2 PHE 56 1.382 -13.923 6.309 347 HZ PHE 56 HZ PHE 56 3.625 -14.677 5.553 348 H GLY 57 H GLY 57 -1.174 -10.968 2.014 349 1HA GLY 57 1HA GLY 57 -1.208 -13.732 0.871 350 2HA GLY 57 2HA GLY 57 -2.194 -13.144 2.195 351 H ASN 58 H ASN 58 -1.817 -11.209 -0.753 352 HA ASN 58 HA ASN 58 -4.691 -11.776 -1.460 353 1HB ASN 58 1HB ASN 58 -4.743 -9.730 -0.178 354 2HB ASN 58 2HB ASN 58 -3.249 -9.206 -0.975 355 1HD2 ASN 58 1HD2 ASN 58 -3.524 -7.766 -2.650 356 2HD2 ASN 58 2HD2 ASN 58 -4.977 -7.595 -3.609 357 H SER 59 H SER 59 -1.959 -9.713 -2.800 358 HA SER 59 HA SER 59 -2.130 -11.289 -5.305 359 1HB SER 59 1HB SER 59 -2.733 -8.369 -4.837 360 2HB SER 59 2HB SER 59 -1.921 -8.857 -6.307 361 HG SER 59 HG SER 59 -4.139 -10.357 -5.401 362 H CYS 60 H CYS 60 -0.320 -8.550 -3.744 363 HA CYS 60 HA CYS 60 1.853 -8.694 -5.489 364 1HB CYS 60 1HB CYS 60 1.412 -6.869 -3.942 365 2HB CYS 60 2HB CYS 60 1.791 -7.916 -2.568 366 H LEU 61 H LEU 61 3.438 -10.138 -5.785 367 HA LEU 61 HA LEU 61 2.611 -12.595 -4.863 368 1HB LEU 61 1HB LEU 61 4.192 -11.661 -6.998 369 2HB LEU 61 2HB LEU 61 5.287 -12.691 -6.113 370 HG LEU 61 HG LEU 61 4.154 -13.993 -7.791 371 1HD1 LEU 61 1HD1 LEU 61 4.504 -15.157 -5.625 372 2HD1 LEU 61 2HD1 LEU 61 2.821 -14.796 -5.191 373 3HD1 LEU 61 3HD1 LEU 61 3.188 -15.817 -6.601 374 1HD2 LEU 61 1HD2 LEU 61 2.246 -12.451 -8.065 375 2HD2 LEU 61 2HD2 LEU 61 1.820 -14.165 -8.091 376 3HD2 LEU 61 3HD2 LEU 61 1.485 -13.164 -6.646 377 H ASN 62 H ASN 62 5.487 -10.778 -3.863 378 HA ASN 62 HA ASN 62 5.288 -12.090 -1.351 379 1HB ASN 62 1HB ASN 62 7.612 -12.075 -0.904 380 2HB ASN 62 2HB ASN 62 7.381 -13.134 -2.288 381 1HD2 ASN 62 1HD2 ASN 62 7.572 -11.619 -4.511 382 2HD2 ASN 62 2HD2 ASN 62 9.027 -10.670 -4.514 383 H TRP 63 H TRP 63 5.518 -10.470 0.236 384 HA TRP 63 HA TRP 63 5.025 -7.770 -0.632 385 1HB TRP 63 1HB TRP 63 4.976 -7.318 1.800 386 2HB TRP 63 2HB TRP 63 3.854 -8.561 1.288 387 HD1 TRP 63 HD1 TRP 63 6.922 -10.477 1.641 388 HE1 TRP 63 HE1 TRP 63 7.012 -11.685 3.857 389 HE3 TRP 63 HE3 TRP 63 3.321 -7.871 3.933 390 HZ2 TRP 63 HZ2 TRP 63 5.497 -11.569 6.401 391 HZ3 TRP 63 HZ3 TRP 63 2.573 -8.406 6.284 392 HH2 TRP 63 HH2 TRP 63 3.616 -10.358 7.463 Start of MODEL 10 1 1H THR 1 1H THR 1 -8.177 -0.491 11.873 2 HA THR 1 HA THR 1 -6.559 1.118 11.447 3 HB THR 1 HB THR 1 -5.048 -0.918 10.513 4 HG1 THR 1 HG1 THR 1 -3.538 0.617 10.329 5 1HG2 THR 1 1HG2 THR 1 -5.406 0.818 8.054 6 2HG2 THR 1 2HG2 THR 1 -4.166 -0.420 8.333 7 3HG2 THR 1 3HG2 THR 1 -5.861 -0.895 8.169 8 H ASP 2 H ASP 2 -7.535 -0.396 8.354 9 HA ASP 2 HA ASP 2 -8.923 0.101 6.717 10 1HB ASP 2 1HB ASP 2 -9.865 2.503 8.236 11 2HB ASP 2 2HB ASP 2 -10.522 1.940 6.712 12 HA PRO 3 HA PRO 3 -5.979 2.866 4.865 13 1HB PRO 3 1HB PRO 3 -6.758 2.898 2.261 14 2HB PRO 3 2HB PRO 3 -6.244 1.397 3.073 15 1HG PRO 3 1HG PRO 3 -9.071 2.363 2.614 16 2HG PRO 3 2HG PRO 3 -8.392 0.733 2.285 17 1HD PRO 3 1HD PRO 3 -9.738 1.334 4.648 18 2HD PRO 3 2HD PRO 3 -8.429 0.135 4.526 19 H GLU 4 H GLU 4 -9.133 3.809 5.355 20 HA GLU 4 HA GLU 4 -9.510 6.167 3.990 21 1HB GLU 4 1HB GLU 4 -10.905 4.877 5.928 22 2HB GLU 4 2HB GLU 4 -9.992 5.877 7.013 23 1HG GLU 4 1HG GLU 4 -11.877 7.172 6.735 24 2HG GLU 4 2HG GLU 4 -10.879 7.880 5.472 25 H GLU 5 H GLU 5 -7.487 5.646 6.887 26 HA GLU 5 HA GLU 5 -6.268 8.301 6.736 27 1HB GLU 5 1HB GLU 5 -7.141 6.824 9.256 28 2HB GLU 5 2HB GLU 5 -6.355 8.398 9.113 29 1HG GLU 5 1HG GLU 5 -8.496 8.967 7.622 30 2HG GLU 5 2HG GLU 5 -9.192 7.628 8.546 31 H HIS 6 H HIS 6 -4.614 7.648 8.955 32 HA HIS 6 HA HIS 6 -2.609 7.060 9.331 33 1HB HIS 6 1HB HIS 6 -3.281 4.590 7.876 34 2HB HIS 6 2HB HIS 6 -1.923 4.740 8.970 35 HD1 HIS 6 HD1 HIS 6 -2.612 4.875 11.603 36 HD2 HIS 6 HD2 HIS 6 -5.783 4.317 8.874 37 HE1 HIS 6 HE1 HIS 6 -4.485 3.863 12.951 38 H PHE 7 H PHE 7 -3.183 8.565 6.866 39 HA PHE 7 HA PHE 7 -1.303 7.696 4.792 40 1HB PHE 7 1HB PHE 7 -3.562 9.360 4.858 41 2HB PHE 7 2HB PHE 7 -2.245 10.525 4.865 42 HD1 PHE 7 HD1 PHE 7 -4.512 9.823 2.763 43 HD2 PHE 7 HD2 PHE 7 -0.290 8.925 3.047 44 HE1 PHE 7 HE1 PHE 7 -4.365 9.654 0.293 45 HE2 PHE 7 HE2 PHE 7 -0.158 8.774 0.584 46 HZ PHE 7 HZ PHE 7 -2.205 9.048 -0.789 47 H ASP 8 H ASP 8 0.876 7.930 5.300 48 HA ASP 8 HA ASP 8 1.730 10.404 6.589 49 1HB ASP 8 1HB ASP 8 1.456 8.934 8.542 50 2HB ASP 8 2HB ASP 8 2.557 7.745 7.858 51 HA PRO 9 HA PRO 9 3.822 8.457 2.977 52 1HB PRO 9 1HB PRO 9 3.779 10.607 1.215 53 2HB PRO 9 2HB PRO 9 2.449 9.432 1.401 54 1HG PRO 9 1HG PRO 9 2.719 12.214 2.505 55 2HG PRO 9 2HG PRO 9 1.248 11.371 1.923 56 1HD PRO 9 1HD PRO 9 1.962 11.671 4.605 57 2HD PRO 9 2HD PRO 9 0.905 10.386 3.986 58 H ASN 10 H ASN 10 5.925 8.501 2.350 59 HA ASN 10 HA ASN 10 7.628 10.669 3.451 60 1HB ASN 10 1HB ASN 10 9.491 9.332 3.143 61 2HB ASN 10 2HB ASN 10 8.267 8.305 3.869 62 1HD2 ASN 10 1HD2 ASN 10 9.321 6.443 3.195 63 2HD2 ASN 10 2HD2 ASN 10 9.458 5.924 1.557 64 H THR 11 H THR 11 9.632 10.956 1.730 65 HA THR 11 HA THR 11 8.606 12.646 -0.302 66 HB THR 11 HB THR 11 11.031 12.956 -0.747 67 HG1 THR 11 HG1 THR 11 11.734 10.822 -0.159 68 1HG2 THR 11 1HG2 THR 11 10.365 13.047 2.231 69 2HG2 THR 11 2HG2 THR 11 11.569 14.002 1.345 70 3HG2 THR 11 3HG2 THR 11 9.849 14.255 1.034 71 H ASN 12 H ASN 12 8.123 9.551 -0.640 72 HA ASN 12 HA ASN 12 8.828 9.628 -3.523 73 1HB ASN 12 1HB ASN 12 10.124 7.921 -1.765 74 2HB ASN 12 2HB ASN 12 8.796 6.913 -2.331 75 1HD2 ASN 12 1HD2 ASN 12 8.398 7.365 -4.947 76 2HD2 ASN 12 2HD2 ASN 12 9.899 7.070 -5.793 77 H CYS 13 H CYS 13 6.263 9.260 -1.184 78 HA CYS 13 HA CYS 13 4.477 7.816 -3.014 79 1HB CYS 13 1HB CYS 13 4.154 7.822 -0.575 80 2HB CYS 13 2HB CYS 13 4.000 9.582 -0.610 81 H ASP 14 H ASP 14 3.657 8.767 -4.901 82 HA ASP 14 HA ASP 14 3.259 11.732 -4.866 83 1HB ASP 14 1HB ASP 14 4.916 10.639 -6.492 84 2HB ASP 14 2HB ASP 14 3.490 9.976 -7.311 85 H TYR 15 H TYR 15 1.608 8.757 -4.695 86 HA TYR 15 HA TYR 15 -0.882 9.775 -5.964 87 1HB TYR 15 1HB TYR 15 -0.129 7.108 -4.680 88 2HB TYR 15 2HB TYR 15 -1.764 7.576 -5.047 89 HD1 TYR 15 HD1 TYR 15 0.309 8.951 -7.652 90 HD2 TYR 15 HD2 TYR 15 -1.432 5.266 -6.214 91 HE1 TYR 15 HE1 TYR 15 0.154 8.099 -9.970 92 HE2 TYR 15 HE2 TYR 15 -1.600 4.431 -8.494 93 HH TYR 15 HH TYR 15 -1.553 5.109 -10.759 94 H THR 16 H THR 16 -1.963 11.192 -4.765 95 HA THR 16 HA THR 16 -1.822 11.003 -1.828 96 HB THR 16 HB THR 16 -2.719 13.251 -1.879 97 HG1 THR 16 HG1 THR 16 -2.445 13.063 -4.705 98 1HG2 THR 16 1HG2 THR 16 -0.247 12.794 -1.937 99 2HG2 THR 16 2HG2 THR 16 -0.279 12.959 -3.697 100 3HG2 THR 16 3HG2 THR 16 -0.715 14.339 -2.667 101 H ASN 17 H ASN 17 -3.571 9.076 -3.425 102 HA ASN 17 HA ASN 17 -6.134 9.797 -2.120 103 1HB ASN 17 1HB ASN 17 -6.041 7.980 -4.481 104 2HB ASN 17 2HB ASN 17 -7.434 8.574 -3.630 105 1HD2 ASN 17 1HD2 ASN 17 -4.745 9.608 -5.685 106 2HD2 ASN 17 2HD2 ASN 17 -5.581 10.942 -6.450 107 H SER 18 H SER 18 -6.840 8.242 -0.837 108 HA SER 18 HA SER 18 -5.162 6.150 0.122 109 1HB SER 18 1HB SER 18 -7.430 5.523 1.381 110 2HB SER 18 2HB SER 18 -6.554 6.999 1.760 111 HG SER 18 HG SER 18 -8.937 6.680 0.287 112 H GLN 19 H GLN 19 -7.828 6.112 -2.236 113 HA GLN 19 HA GLN 19 -8.027 3.233 -2.292 114 1HB GLN 19 1HB GLN 19 -9.819 4.812 -2.961 115 2HB GLN 19 2HB GLN 19 -8.826 5.377 -4.310 116 1HG GLN 19 1HG GLN 19 -10.424 3.881 -5.197 117 2HG GLN 19 2HG GLN 19 -8.888 3.018 -5.243 118 1HE2 GLN 19 1HE2 GLN 19 -9.104 0.872 -4.582 119 2HE2 GLN 19 2HE2 GLN 19 -10.437 0.312 -3.591 120 H ASP 20 H ASP 20 -6.532 5.582 -4.636 121 HA ASP 20 HA ASP 20 -5.504 3.599 -6.389 122 1HB ASP 20 1HB ASP 20 -4.824 6.478 -5.803 123 2HB ASP 20 2HB ASP 20 -3.650 5.525 -6.678 124 H ALA 21 H ALA 21 -3.777 5.422 -3.717 125 HA ALA 21 HA ALA 21 -1.355 4.057 -3.983 126 1HB ALA 21 1HB ALA 21 -2.625 5.210 -1.462 127 2HB ALA 21 2HB ALA 21 -0.910 4.813 -1.683 128 3HB ALA 21 3HB ALA 21 -1.643 6.110 -2.643 129 H TRP 22 H TRP 22 -4.192 3.206 -1.856 130 HA TRP 22 HA TRP 22 -3.073 0.896 -0.713 131 1HB TRP 22 1HB TRP 22 -5.159 1.824 0.077 132 2HB TRP 22 2HB TRP 22 -5.941 1.557 -1.486 133 HD1 TRP 22 HD1 TRP 22 -6.723 -0.896 -2.058 134 HE1 TRP 22 HE1 TRP 22 -7.168 -2.967 -0.594 135 HE3 TRP 22 HE3 TRP 22 -4.216 0.562 2.145 136 HZ2 TRP 22 HZ2 TRP 22 -6.557 -3.830 2.137 137 HZ3 TRP 22 HZ3 TRP 22 -4.239 -0.838 4.182 138 HH2 TRP 22 HH2 TRP 22 -5.303 -3.062 4.141 139 H ASP 23 H ASP 23 -5.139 1.104 -3.706 140 HA ASP 23 HA ASP 23 -5.095 -1.654 -4.326 141 1HB ASP 23 1HB ASP 23 -5.480 0.807 -6.069 142 2HB ASP 23 2HB ASP 23 -5.561 -0.782 -6.746 143 H TYR 24 H TYR 24 -2.818 0.933 -5.416 144 HA TYR 24 HA TYR 24 -1.414 -0.851 -7.107 145 1HB TYR 24 1HB TYR 24 -0.880 1.911 -6.011 146 2HB TYR 24 2HB TYR 24 0.342 1.065 -6.931 147 HD1 TYR 24 HD1 TYR 24 -3.433 1.502 -7.380 148 HD2 TYR 24 HD2 TYR 24 0.507 1.873 -9.101 149 HE1 TYR 24 HE1 TYR 24 -4.430 2.377 -9.408 150 HE2 TYR 24 HE2 TYR 24 -0.484 2.734 -11.171 151 HH TYR 24 HH TYR 24 -3.950 3.622 -11.314 152 H CYS 25 H CYS 25 -0.706 0.388 -3.776 153 HA CYS 25 HA CYS 25 1.750 -0.933 -3.279 154 1HB CYS 25 1HB CYS 25 -0.551 -0.276 -1.401 155 2HB CYS 25 2HB CYS 25 1.032 -0.835 -0.874 156 H THR 26 H THR 26 -1.590 -2.160 -3.217 157 HA THR 26 HA THR 26 -0.814 -4.660 -1.852 158 HB THR 26 HB THR 26 -3.058 -5.036 -1.585 159 HG1 THR 26 HG1 THR 26 -3.596 -2.543 -2.803 160 1HG2 THR 26 1HG2 THR 26 -3.652 -3.043 -0.185 161 2HG2 THR 26 2HG2 THR 26 -2.049 -3.747 0.087 162 3HG2 THR 26 3HG2 THR 26 -2.191 -2.254 -0.778 163 H ASN 27 H ASN 27 -0.440 -3.685 -4.927 164 HA ASN 27 HA ASN 27 -0.196 -4.647 -6.908 165 1HB ASN 27 1HB ASN 27 1.103 -6.412 -5.446 166 2HB ASN 27 2HB ASN 27 -0.317 -7.412 -5.701 167 1HD2 ASN 27 1HD2 ASN 27 -0.059 -8.830 -7.484 168 2HD2 ASN 27 2HD2 ASN 27 0.815 -8.422 -8.919 169 H TYR 28 H TYR 28 -2.888 -4.065 -5.899 170 HA TYR 28 HA TYR 28 -4.723 -6.113 -6.781 171 1HB TYR 28 1HB TYR 28 -5.188 -4.147 -5.285 172 2HB TYR 28 2HB TYR 28 -5.004 -3.090 -6.661 173 HD1 TYR 28 HD1 TYR 28 -6.983 -2.308 -7.573 174 HD2 TYR 28 HD2 TYR 28 -6.933 -6.229 -5.788 175 HE1 TYR 28 HE1 TYR 28 -9.339 -2.594 -8.184 176 HE2 TYR 28 HE2 TYR 28 -9.321 -6.508 -6.279 177 HH TYR 28 HH TYR 28 -11.101 -5.676 -7.747 178 H ILE 29 H ILE 29 -3.036 -3.386 -8.252 179 HA ILE 29 HA ILE 29 -3.637 -4.211 -11.031 180 HB ILE 29 HB ILE 29 -2.947 -1.591 -9.883 181 1HG1 ILE 29 1HG1 ILE 29 -5.431 -2.664 -9.527 182 2HG1 ILE 29 2HG1 ILE 29 -5.105 -0.986 -9.734 183 1HG2 ILE 29 1HG2 ILE 29 -3.461 -0.363 -11.585 184 2HG2 ILE 29 2HG2 ILE 29 -2.035 -1.403 -11.817 185 3HG2 ILE 29 3HG2 ILE 29 -3.569 -1.811 -12.674 186 1HD1 ILE 29 1HD1 ILE 29 -5.950 -2.862 -11.968 187 2HD1 ILE 29 2HD1 ILE 29 -7.045 -1.832 -11.014 188 3HD1 ILE 29 3HD1 ILE 29 -5.832 -1.077 -12.060 189 H VAL 30 H VAL 30 -1.662 -5.338 -11.577 190 HA VAL 30 HA VAL 30 0.843 -5.013 -10.287 191 HB VAL 30 HB VAL 30 0.001 -6.071 -12.967 192 1HG1 VAL 30 1HG1 VAL 30 2.372 -6.814 -13.332 193 2HG1 VAL 30 2HG1 VAL 30 2.132 -5.077 -13.541 194 3HG1 VAL 30 3HG1 VAL 30 2.879 -5.707 -12.042 195 1HG2 VAL 30 1HG2 VAL 30 -0.269 -7.376 -10.847 196 2HG2 VAL 30 2HG2 VAL 30 0.864 -8.150 -11.976 197 3HG2 VAL 30 3HG2 VAL 30 1.485 -7.235 -10.577 198 H ASN 31 H ASN 31 2.324 -3.513 -10.318 199 HA ASN 31 HA ASN 31 2.458 -1.485 -12.449 200 1HB ASN 31 1HB ASN 31 2.121 0.435 -11.030 201 2HB ASN 31 2HB ASN 31 0.711 -0.597 -10.952 202 1HD2 ASN 31 1HD2 ASN 31 0.532 -2.065 -8.935 203 2HD2 ASN 31 2HD2 ASN 31 1.265 -1.454 -7.461 204 H SER 32 H SER 32 4.136 -3.542 -10.579 205 HA SER 32 HA SER 32 6.148 -3.801 -9.721 206 1HB SER 32 1HB SER 32 7.017 -1.105 -10.828 207 2HB SER 32 2HB SER 32 8.032 -2.330 -10.067 208 HG SER 32 HG SER 32 7.058 -3.754 -11.818 209 H SER 33 H SER 33 7.624 -2.515 -7.969 210 HA SER 33 HA SER 33 8.045 -1.203 -6.295 211 1HB SER 33 1HB SER 33 6.575 0.376 -8.014 212 2HB SER 33 2HB SER 33 5.634 0.493 -6.520 213 HG SER 33 HG SER 33 7.208 1.613 -5.642 214 H CYS 34 H CYS 34 5.116 -2.763 -6.521 215 HA CYS 34 HA CYS 34 3.873 -2.139 -4.023 216 1HB CYS 34 1HB CYS 34 2.354 -3.969 -4.523 217 2HB CYS 34 2HB CYS 34 2.696 -3.054 -5.990 218 H GLY 35 H GLY 35 3.286 -4.080 -2.427 219 1HA GLY 35 1HA GLY 35 4.172 -5.821 -1.046 220 2HA GLY 35 2HA GLY 35 5.805 -5.379 -1.563 221 H GLU 36 H GLU 36 6.020 -5.280 0.913 222 HA GLU 36 HA GLU 36 4.270 -3.593 2.363 223 1HB GLU 36 1HB GLU 36 5.622 -4.159 4.270 224 2HB GLU 36 2HB GLU 36 5.303 -5.547 3.225 225 1HG GLU 36 1HG GLU 36 7.749 -4.741 2.267 226 2HG GLU 36 2HG GLU 36 7.862 -4.227 3.959 227 H ILE 37 H ILE 37 7.440 -3.031 1.015 228 HA ILE 37 HA ILE 37 8.140 -0.625 2.328 229 HB ILE 37 HB ILE 37 8.841 -1.670 -0.414 230 1HG1 ILE 37 1HG1 ILE 37 10.098 -1.770 2.386 231 2HG1 ILE 37 2HG1 ILE 37 9.457 -3.120 1.454 232 1HG2 ILE 37 1HG2 ILE 37 9.184 0.827 -0.310 233 2HG2 ILE 37 2HG2 ILE 37 10.037 0.651 1.237 234 3HG2 ILE 37 3HG2 ILE 37 10.747 0.023 -0.267 235 1HD1 ILE 37 1HD1 ILE 37 11.932 -1.532 0.877 236 2HD1 ILE 37 2HD1 ILE 37 11.810 -3.242 1.330 237 3HD1 ILE 37 3HD1 ILE 37 11.221 -2.715 -0.270 238 H CYS 38 H CYS 38 6.047 -1.250 -0.516 239 HA CYS 38 HA CYS 38 5.672 1.488 -1.292 240 1HB CYS 38 1HB CYS 38 5.093 -0.865 -2.428 241 2HB CYS 38 2HB CYS 38 3.549 -0.649 -1.633 242 H CYS 39 H CYS 39 3.986 -0.706 1.042 243 HA CYS 39 HA CYS 39 1.957 1.131 1.868 244 1HB CYS 39 1HB CYS 39 3.407 -0.724 3.715 245 2HB CYS 39 2HB CYS 39 1.750 -0.220 3.745 246 H ASN 40 H ASN 40 5.293 0.449 3.150 247 HA ASN 40 HA ASN 40 5.156 2.158 5.344 248 1HB ASN 40 1HB ASN 40 7.284 0.769 3.767 249 2HB ASN 40 2HB ASN 40 7.842 2.191 4.594 250 1HD2 ASN 40 1HD2 ASN 40 5.422 -0.351 5.572 251 2HD2 ASN 40 2HD2 ASN 40 6.426 -0.881 6.927 252 H ASP 41 H ASP 41 6.057 2.750 1.975 253 HA ASP 41 HA ASP 41 7.244 5.337 2.282 254 1HB ASP 41 1HB ASP 41 6.300 3.637 -0.047 255 2HB ASP 41 2HB ASP 41 6.763 5.284 -0.323 256 H CYS 42 H CYS 42 3.970 4.436 2.451 257 HA CYS 42 HA CYS 42 3.021 7.121 1.509 258 1HB CYS 42 1HB CYS 42 1.683 4.470 0.936 259 2HB CYS 42 2HB CYS 42 1.225 6.070 0.359 260 H PHE 43 H PHE 43 2.151 4.186 3.362 261 HA PHE 43 HA PHE 43 0.157 5.650 4.977 262 1HB PHE 43 1HB PHE 43 0.882 2.701 4.620 263 2HB PHE 43 2HB PHE 43 -0.226 3.277 5.863 264 HD1 PHE 43 HD1 PHE 43 0.204 2.574 2.276 265 HD2 PHE 43 HD2 PHE 43 -2.460 4.239 5.245 266 HE1 PHE 43 HE1 PHE 43 -1.651 2.480 0.649 267 HE2 PHE 43 HE2 PHE 43 -4.310 4.177 3.568 268 HZ PHE 43 HZ PHE 43 -3.915 3.316 1.302 269 H ASP 44 H ASP 44 0.380 5.426 7.378 270 HA ASP 44 HA ASP 44 3.016 5.421 8.530 271 1HB ASP 44 1HB ASP 44 0.463 4.427 9.885 272 2HB ASP 44 2HB ASP 44 1.968 4.880 10.625 273 H GLU 45 H GLU 45 3.522 3.704 10.149 274 HA GLU 45 HA GLU 45 3.812 0.993 9.303 275 1HB GLU 45 1HB GLU 45 5.030 2.252 11.100 276 2HB GLU 45 2HB GLU 45 3.572 2.136 12.075 277 1HG GLU 45 1HG GLU 45 3.791 -0.401 11.909 278 2HG GLU 45 2HG GLU 45 5.372 -0.141 11.169 279 H THR 46 H THR 46 1.287 2.708 11.171 280 HA THR 46 HA THR 46 -0.227 0.444 11.926 281 HB THR 46 HB THR 46 -1.141 3.355 11.721 282 HG1 THR 46 HG1 THR 46 -0.198 3.510 13.804 283 1HG2 THR 46 1HG2 THR 46 -2.960 1.886 12.257 284 2HG2 THR 46 2HG2 THR 46 -2.013 1.047 13.496 285 3HG2 THR 46 3HG2 THR 46 -2.482 2.759 13.711 286 H GLY 47 H GLY 47 -0.623 2.767 9.169 287 1HA GLY 47 1HA GLY 47 -2.976 1.481 8.116 288 2HA GLY 47 2HA GLY 47 -1.902 2.584 7.254 289 H THR 48 H THR 48 0.528 1.257 7.532 290 HA THR 48 HA THR 48 0.601 -0.514 5.444 291 HB THR 48 HB THR 48 2.460 0.008 7.787 292 HG1 THR 48 HG1 THR 48 2.535 1.625 6.397 293 1HG2 THR 48 1HG2 THR 48 3.200 -1.786 5.477 294 2HG2 THR 48 2HG2 THR 48 4.196 -1.194 6.815 295 3HG2 THR 48 3HG2 THR 48 2.892 -2.329 7.132 296 H GLY 49 H GLY 49 0.330 -1.509 8.941 297 1HA GLY 49 1HA GLY 49 0.823 -4.183 8.379 298 2HA GLY 49 2HA GLY 49 -0.211 -3.611 9.729 299 H ALA 50 H ALA 50 -2.115 -2.478 7.585 300 HA ALA 50 HA ALA 50 -3.711 -4.935 7.084 301 1HB ALA 50 1HB ALA 50 -5.338 -3.252 6.307 302 2HB ALA 50 2HB ALA 50 -4.733 -2.845 7.929 303 3HB ALA 50 3HB ALA 50 -4.095 -1.972 6.497 304 H CYS 51 H CYS 51 -2.004 -2.329 5.313 305 HA CYS 51 HA CYS 51 -2.856 -3.036 2.724 306 1HB CYS 51 1HB CYS 51 -2.061 -0.857 3.609 307 2HB CYS 51 2HB CYS 51 -0.419 -1.500 3.673 308 H ARG 52 H ARG 52 -0.026 -3.865 4.738 309 HA ARG 52 HA ARG 52 1.332 -5.460 2.926 310 1HB ARG 52 1HB ARG 52 1.122 -5.826 5.942 311 2HB ARG 52 2HB ARG 52 2.186 -6.736 4.840 312 1HG ARG 52 1HG ARG 52 3.231 -4.613 4.100 313 2HG ARG 52 2HG ARG 52 2.193 -3.737 5.162 314 1HD ARG 52 1HD ARG 52 4.302 -3.889 6.257 315 2HD ARG 52 2HD ARG 52 3.138 -4.899 7.125 316 HE ARG 52 HE ARG 52 4.987 -6.108 5.083 317 1HH1 ARG 52 2HH2 ARG 52 4.577 -5.310 8.557 318 2HH1 ARG 52 1HH2 ARG 52 5.413 -6.774 9.052 319 1HH2 ARG 52 2HH1 ARG 52 6.318 -7.725 5.826 320 2HH2 ARG 52 1HH1 ARG 52 6.401 -8.178 7.524 321 H ALA 53 H ALA 53 -1.407 -6.465 5.141 322 HA ALA 53 HA ALA 53 -1.357 -9.165 4.381 323 1HB ALA 53 1HB ALA 53 -2.843 -8.368 6.210 324 2HB ALA 53 2HB ALA 53 -3.845 -7.498 5.018 325 3HB ALA 53 3HB ALA 53 -3.771 -9.248 4.956 326 H GLN 54 H GLN 54 -3.085 -6.450 2.884 327 HA GLN 54 HA GLN 54 -4.287 -8.015 0.798 328 1HB GLN 54 1HB GLN 54 -4.996 -5.752 1.735 329 2HB GLN 54 2HB GLN 54 -3.700 -5.057 0.859 330 1HG GLN 54 1HG GLN 54 -5.597 -4.681 -0.471 331 2HG GLN 54 2HG GLN 54 -4.761 -5.982 -1.264 332 1HE2 GLN 54 1HE2 GLN 54 -6.670 -6.634 -2.367 333 2HE2 GLN 54 2HE2 GLN 54 -8.003 -7.452 -1.571 334 H ALA 55 H ALA 55 -0.977 -7.084 1.140 335 HA ALA 55 HA ALA 55 -0.539 -7.697 -1.765 336 1HB ALA 55 1HB ALA 55 1.928 -7.394 -1.076 337 2HB ALA 55 2HB ALA 55 0.903 -5.961 -1.201 338 3HB ALA 55 3HB ALA 55 1.307 -6.639 0.398 339 H PHE 56 H PHE 56 0.679 -8.638 1.402 340 HA PHE 56 HA PHE 56 2.215 -10.748 1.027 341 1HB PHE 56 1HB PHE 56 1.689 -9.584 3.231 342 2HB PHE 56 2HB PHE 56 0.173 -10.410 3.251 343 HD1 PHE 56 HD1 PHE 56 0.109 -12.046 4.912 344 HD2 PHE 56 HD2 PHE 56 3.639 -11.758 2.434 345 HE1 PHE 56 HE1 PHE 56 1.107 -13.976 6.091 346 HE2 PHE 56 HE2 PHE 56 4.582 -13.713 3.557 347 HZ PHE 56 HZ PHE 56 3.345 -14.836 5.402 348 H GLY 57 H GLY 57 -1.192 -11.059 1.852 349 1HA GLY 57 1HA GLY 57 -1.306 -13.872 0.801 350 2HA GLY 57 2HA GLY 57 -2.131 -13.336 2.262 351 H ASN 58 H ASN 58 -1.853 -11.751 -0.946 352 HA ASN 58 HA ASN 58 -4.678 -12.317 -1.585 353 1HB ASN 58 1HB ASN 58 -4.830 -10.255 -0.257 354 2HB ASN 58 2HB ASN 58 -3.462 -9.625 -1.105 355 1HD2 ASN 58 1HD2 ASN 58 -4.015 -8.016 -2.523 356 2HD2 ASN 58 2HD2 ASN 58 -5.432 -7.921 -3.508 357 H SER 59 H SER 59 -2.840 -9.732 -3.128 358 HA SER 59 HA SER 59 -2.704 -11.425 -5.559 359 1HB SER 59 1HB SER 59 -3.191 -8.492 -4.965 360 2HB SER 59 2HB SER 59 -2.754 -9.033 -6.580 361 HG SER 59 HG SER 59 -5.201 -9.163 -5.590 362 H CYS 60 H CYS 60 -0.421 -10.017 -3.382 363 HA CYS 60 HA CYS 60 1.402 -9.192 -5.576 364 1HB CYS 60 1HB CYS 60 1.064 -7.854 -3.493 365 2HB CYS 60 2HB CYS 60 1.862 -9.160 -2.592 366 H LEU 61 H LEU 61 3.368 -10.281 -5.998 367 HA LEU 61 HA LEU 61 3.216 -13.117 -5.714 368 1HB LEU 61 1HB LEU 61 4.291 -11.682 -7.594 369 2HB LEU 61 2HB LEU 61 5.688 -11.559 -6.543 370 HG LEU 61 HG LEU 61 6.107 -13.303 -8.060 371 1HD1 LEU 61 1HD1 LEU 61 6.501 -15.253 -6.726 372 2HD1 LEU 61 2HD1 LEU 61 6.694 -13.850 -5.673 373 3HD1 LEU 61 3HD1 LEU 61 5.224 -14.845 -5.602 374 1HD2 LEU 61 1HD2 LEU 61 3.454 -14.634 -7.359 375 2HD2 LEU 61 2HD2 LEU 61 3.766 -13.671 -8.814 376 3HD2 LEU 61 3HD2 LEU 61 4.652 -15.179 -8.546 377 H ASN 62 H ASN 62 5.683 -10.757 -4.464 378 HA ASN 62 HA ASN 62 5.720 -12.159 -1.917 379 1HB ASN 62 1HB ASN 62 8.105 -11.893 -1.704 380 2HB ASN 62 2HB ASN 62 7.702 -13.034 -2.988 381 1HD2 ASN 62 1HD2 ASN 62 8.222 -12.411 -5.239 382 2HD2 ASN 62 2HD2 ASN 62 9.288 -11.056 -5.513 383 H TRP 63 H TRP 63 5.371 -10.666 -0.349 384 HA TRP 63 HA TRP 63 5.000 -7.884 -0.939 385 1HB TRP 63 1HB TRP 63 4.742 -7.618 1.453 386 2HB TRP 63 2HB TRP 63 3.771 -8.936 0.855 387 HD1 TRP 63 HD1 TRP 63 6.788 -10.792 1.206 388 HE1 TRP 63 HE1 TRP 63 7.039 -11.871 3.495 389 HE3 TRP 63 HE3 TRP 63 3.338 -8.093 3.678 390 HZ2 TRP 63 HZ2 TRP 63 5.874 -11.606 6.118 391 HZ3 TRP 63 HZ3 TRP 63 2.889 -8.498 6.151 392 HH2 TRP 63 HH2 TRP 63 4.111 -10.308 7.329 Start of MODEL 11 1 1H THR 1 1H THR 1 -7.473 -3.040 10.818 2 HA THR 1 HA THR 1 -7.655 -0.610 11.391 3 HB THR 1 HB THR 1 -4.906 -0.899 11.549 4 HG1 THR 1 HG1 THR 1 -6.479 1.449 11.440 5 1HG2 THR 1 1HG2 THR 1 -3.986 0.840 10.091 6 2HG2 THR 1 2HG2 THR 1 -4.649 -0.444 9.075 7 3HG2 THR 1 3HG2 THR 1 -5.516 1.097 9.319 8 H ASP 2 H ASP 2 -7.731 1.020 9.418 9 HA ASP 2 HA ASP 2 -8.347 -0.413 6.891 10 1HB ASP 2 1HB ASP 2 -10.104 0.788 8.692 11 2HB ASP 2 2HB ASP 2 -9.683 2.144 7.656 12 HA PRO 3 HA PRO 3 -5.514 2.772 5.303 13 1HB PRO 3 1HB PRO 3 -6.375 3.187 2.738 14 2HB PRO 3 2HB PRO 3 -5.570 1.686 3.272 15 1HG PRO 3 1HG PRO 3 -8.536 2.201 2.932 16 2HG PRO 3 2HG PRO 3 -7.581 0.784 2.382 17 1HD PRO 3 1HD PRO 3 -9.057 0.799 4.695 18 2HD PRO 3 2HD PRO 3 -7.552 -0.144 4.530 19 H GLU 4 H GLU 4 -8.850 3.273 5.681 20 HA GLU 4 HA GLU 4 -9.325 5.665 4.418 21 1HB GLU 4 1HB GLU 4 -10.901 3.928 5.501 22 2HB GLU 4 2HB GLU 4 -10.556 4.687 7.060 23 1HG GLU 4 1HG GLU 4 -11.447 6.859 6.056 24 2HG GLU 4 2HG GLU 4 -11.931 5.919 4.633 25 H GLU 5 H GLU 5 -8.144 5.209 7.802 26 HA GLU 5 HA GLU 5 -8.119 8.139 8.165 27 1HB GLU 5 1HB GLU 5 -8.681 7.910 10.280 28 2HB GLU 5 2HB GLU 5 -9.538 6.536 9.589 29 1HG GLU 5 1HG GLU 5 -8.270 4.983 10.713 30 2HG GLU 5 2HG GLU 5 -6.891 6.066 10.890 31 H HIS 6 H HIS 6 -5.884 6.303 6.954 32 HA HIS 6 HA HIS 6 -3.669 7.309 8.665 33 1HB HIS 6 1HB HIS 6 -3.923 4.509 7.506 34 2HB HIS 6 2HB HIS 6 -2.490 5.177 8.285 35 HD1 HIS 6 HD1 HIS 6 -2.461 5.081 11.013 36 HD2 HIS 6 HD2 HIS 6 -6.201 4.272 9.171 37 HE1 HIS 6 HE1 HIS 6 -3.948 4.132 12.785 38 H PHE 7 H PHE 7 -2.522 8.618 7.385 39 HA PHE 7 HA PHE 7 -1.582 7.612 4.797 40 1HB PHE 7 1HB PHE 7 -3.531 9.544 4.831 41 2HB PHE 7 2HB PHE 7 -2.110 10.561 4.991 42 HD1 PHE 7 HD1 PHE 7 -0.260 8.878 3.133 43 HD2 PHE 7 HD2 PHE 7 -4.275 10.344 2.722 44 HE1 PHE 7 HE1 PHE 7 -0.057 8.709 0.679 45 HE2 PHE 7 HE2 PHE 7 -4.038 10.251 0.242 46 HZ PHE 7 HZ PHE 7 -1.985 9.254 -0.745 47 H ASP 8 H ASP 8 0.777 8.121 4.712 48 HA ASP 8 HA ASP 8 1.697 10.374 6.122 49 1HB ASP 8 1HB ASP 8 1.716 8.692 8.051 50 2HB ASP 8 2HB ASP 8 3.004 7.852 7.202 51 HA PRO 9 HA PRO 9 3.741 8.883 2.300 52 1HB PRO 9 1HB PRO 9 3.643 11.296 0.897 53 2HB PRO 9 2HB PRO 9 2.463 9.983 0.815 54 1HG PRO 9 1HG PRO 9 2.275 12.627 2.188 55 2HG PRO 9 2HG PRO 9 0.950 11.546 1.663 56 1HD PRO 9 1HD PRO 9 2.019 11.889 4.305 57 2HD PRO 9 2HD PRO 9 0.788 10.711 3.791 58 H ASN 10 H ASN 10 5.870 8.704 2.815 59 HA ASN 10 HA ASN 10 7.413 11.093 3.657 60 1HB ASN 10 1HB ASN 10 9.406 9.752 3.633 61 2HB ASN 10 2HB ASN 10 8.156 9.019 4.622 62 1HD2 ASN 10 1HD2 ASN 10 7.728 6.897 4.274 63 2HD2 ASN 10 2HD2 ASN 10 8.373 5.935 2.987 64 H THR 11 H THR 11 9.560 11.403 2.206 65 HA THR 11 HA THR 11 8.515 12.558 -0.206 66 HB THR 11 HB THR 11 10.855 13.406 -0.357 67 HG1 THR 11 HG1 THR 11 11.739 11.650 1.056 68 1HG2 THR 11 1HG2 THR 11 10.540 14.999 1.466 69 2HG2 THR 11 2HG2 THR 11 8.979 14.641 0.727 70 3HG2 THR 11 3HG2 THR 11 9.405 13.904 2.282 71 H ASN 12 H ASN 12 8.137 9.929 -0.511 72 HA ASN 12 HA ASN 12 9.692 9.380 -2.974 73 1HB ASN 12 1HB ASN 12 10.137 7.796 -0.871 74 2HB ASN 12 2HB ASN 12 8.577 7.095 -1.372 75 1HD2 ASN 12 1HD2 ASN 12 8.679 7.188 -4.148 76 2HD2 ASN 12 2HD2 ASN 12 9.953 6.065 -4.591 77 H CYS 13 H CYS 13 6.603 9.145 -1.067 78 HA CYS 13 HA CYS 13 5.041 7.919 -2.931 79 1HB CYS 13 1HB CYS 13 4.560 8.323 -0.541 80 2HB CYS 13 2HB CYS 13 4.348 10.042 -0.898 81 H ASP 14 H ASP 14 3.729 8.495 -4.541 82 HA ASP 14 HA ASP 14 3.496 11.393 -5.338 83 1HB ASP 14 1HB ASP 14 3.927 8.928 -6.995 84 2HB ASP 14 2HB ASP 14 2.791 10.118 -7.619 85 H TYR 15 H TYR 15 1.788 8.305 -4.676 86 HA TYR 15 HA TYR 15 -0.695 9.348 -5.850 87 1HB TYR 15 1HB TYR 15 0.038 6.693 -4.601 88 2HB TYR 15 2HB TYR 15 -1.620 7.182 -4.876 89 HD1 TYR 15 HD1 TYR 15 -1.702 5.103 -6.236 90 HD2 TYR 15 HD2 TYR 15 0.656 8.493 -7.511 91 HE1 TYR 15 HE1 TYR 15 -2.001 4.442 -8.592 92 HE2 TYR 15 HE2 TYR 15 0.422 7.785 -9.834 93 HH TYR 15 HH TYR 15 -1.856 5.263 -10.806 94 H THR 16 H THR 16 -2.247 10.312 -4.895 95 HA THR 16 HA THR 16 -1.976 10.908 -1.985 96 HB THR 16 HB THR 16 -2.667 13.258 -2.755 97 HG1 THR 16 HG1 THR 16 -1.227 12.380 -5.032 98 1HG2 THR 16 1HG2 THR 16 0.150 12.175 -3.240 99 2HG2 THR 16 2HG2 THR 16 -0.279 13.886 -3.024 100 3HG2 THR 16 3HG2 THR 16 -0.522 12.739 -1.697 101 H ASN 17 H ASN 17 -3.599 8.865 -2.938 102 HA ASN 17 HA ASN 17 -6.025 9.883 -1.669 103 1HB ASN 17 1HB ASN 17 -6.269 8.101 -4.114 104 2HB ASN 17 2HB ASN 17 -7.579 8.652 -3.082 105 1HD2 ASN 17 1HD2 ASN 17 -5.114 9.735 -5.376 106 2HD2 ASN 17 2HD2 ASN 17 -6.022 11.120 -5.983 107 H SER 18 H SER 18 -7.043 8.089 -0.466 108 HA SER 18 HA SER 18 -5.283 6.059 0.426 109 1HB SER 18 1HB SER 18 -7.509 5.116 1.429 110 2HB SER 18 2HB SER 18 -6.932 6.678 1.974 111 HG SER 18 HG SER 18 -9.068 6.837 1.531 112 H GLN 19 H GLN 19 -8.070 5.869 -1.845 113 HA GLN 19 HA GLN 19 -7.973 3.182 -2.398 114 1HB GLN 19 1HB GLN 19 -9.727 4.785 -3.175 115 2HB GLN 19 2HB GLN 19 -8.630 5.394 -4.407 116 1HG GLN 19 1HG GLN 19 -9.969 3.831 -5.561 117 2HG GLN 19 2HG GLN 19 -8.500 2.934 -5.276 118 1HE2 GLN 19 1HE2 GLN 19 -8.780 0.843 -4.266 119 2HE2 GLN 19 2HE2 GLN 19 -10.245 0.418 -3.432 120 H ASP 20 H ASP 20 -6.465 5.627 -4.653 121 HA ASP 20 HA ASP 20 -5.501 3.523 -6.337 122 1HB ASP 20 1HB ASP 20 -5.123 6.496 -6.204 123 2HB ASP 20 2HB ASP 20 -3.947 5.578 -7.102 124 H ALA 21 H ALA 21 -3.796 5.405 -3.778 125 HA ALA 21 HA ALA 21 -1.295 4.125 -4.033 126 1HB ALA 21 1HB ALA 21 -1.670 6.076 -2.588 127 2HB ALA 21 2HB ALA 21 -2.708 5.103 -1.516 128 3HB ALA 21 3HB ALA 21 -0.978 4.730 -1.673 129 H TRP 22 H TRP 22 -4.155 3.130 -1.998 130 HA TRP 22 HA TRP 22 -3.043 0.747 -0.995 131 1HB TRP 22 1HB TRP 22 -5.108 1.732 -0.159 132 2HB TRP 22 2HB TRP 22 -5.924 1.445 -1.684 133 HD1 TRP 22 HD1 TRP 22 -6.825 -0.978 -2.163 134 HE1 TRP 22 HE1 TRP 22 -7.398 -2.920 -0.601 135 HE3 TRP 22 HE3 TRP 22 -4.130 0.481 1.918 136 HZ2 TRP 22 HZ2 TRP 22 -6.705 -3.760 2.165 137 HZ3 TRP 22 HZ3 TRP 22 -4.215 -0.793 4.023 138 HH2 TRP 22 HH2 TRP 22 -5.380 -2.943 4.118 139 H ASP 23 H ASP 23 -5.077 1.166 -3.934 140 HA ASP 23 HA ASP 23 -5.182 -1.447 -4.838 141 1HB ASP 23 1HB ASP 23 -4.989 1.151 -6.413 142 2HB ASP 23 2HB ASP 23 -5.297 -0.388 -7.158 143 H TYR 24 H TYR 24 -2.716 1.034 -5.780 144 HA TYR 24 HA TYR 24 -1.245 -0.810 -7.388 145 1HB TYR 24 1HB TYR 24 -0.747 1.979 -6.326 146 2HB TYR 24 2HB TYR 24 0.490 1.079 -7.178 147 HD1 TYR 24 HD1 TYR 24 -3.225 1.725 -7.746 148 HD2 TYR 24 HD2 TYR 24 0.779 1.752 -9.366 149 HE1 TYR 24 HE1 TYR 24 -4.115 2.430 -9.888 150 HE2 TYR 24 HE2 TYR 24 -0.121 2.405 -11.570 151 HH TYR 24 HH TYR 24 -3.223 3.642 -11.861 152 H CYS 25 H CYS 25 -0.592 0.534 -4.081 153 HA CYS 25 HA CYS 25 1.819 -0.757 -3.525 154 1HB CYS 25 1HB CYS 25 -0.530 -0.129 -1.703 155 2HB CYS 25 2HB CYS 25 1.035 -0.700 -1.136 156 H THR 26 H THR 26 -1.463 -2.092 -3.380 157 HA THR 26 HA THR 26 -0.613 -4.537 -1.996 158 HB THR 26 HB THR 26 -2.907 -4.981 -1.757 159 HG1 THR 26 HG1 THR 26 -3.461 -2.539 -3.061 160 1HG2 THR 26 1HG2 THR 26 -3.479 -2.956 -0.430 161 2HG2 THR 26 2HG2 THR 26 -1.841 -3.608 -0.146 162 3HG2 THR 26 3HG2 THR 26 -2.057 -2.154 -1.074 163 H ASN 27 H ASN 27 -0.554 -3.537 -5.199 164 HA ASN 27 HA ASN 27 -0.105 -4.470 -7.147 165 1HB ASN 27 1HB ASN 27 1.302 -6.122 -5.845 166 2HB ASN 27 2HB ASN 27 -0.039 -7.255 -5.995 167 1HD2 ASN 27 1HD2 ASN 27 0.008 -8.565 -7.912 168 2HD2 ASN 27 2HD2 ASN 27 1.008 -8.190 -9.264 169 H TYR 28 H TYR 28 -2.832 -4.253 -5.917 170 HA TYR 28 HA TYR 28 -4.683 -5.950 -7.283 171 1HB TYR 28 1HB TYR 28 -4.978 -4.074 -5.510 172 2HB TYR 28 2HB TYR 28 -4.756 -2.953 -6.833 173 HD1 TYR 28 HD1 TYR 28 -6.969 -5.851 -5.888 174 HD2 TYR 28 HD2 TYR 28 -6.566 -1.991 -7.798 175 HE1 TYR 28 HE1 TYR 28 -9.412 -5.626 -5.983 176 HE2 TYR 28 HE2 TYR 28 -8.919 -1.754 -7.946 177 HH TYR 28 HH TYR 28 -10.882 -2.566 -6.682 178 H ILE 29 H ILE 29 -2.685 -3.136 -8.144 179 HA ILE 29 HA ILE 29 -3.225 -3.493 -11.037 180 HB ILE 29 HB ILE 29 -2.605 -0.928 -9.569 181 1HG1 ILE 29 1HG1 ILE 29 -4.883 -1.713 -9.105 182 2HG1 ILE 29 2HG1 ILE 29 -4.868 -0.261 -10.029 183 1HG2 ILE 29 1HG2 ILE 29 -3.197 0.055 -11.842 184 2HG2 ILE 29 2HG2 ILE 29 -1.653 -0.814 -11.765 185 3HG2 ILE 29 3HG2 ILE 29 -3.086 -1.582 -12.505 186 1HD1 ILE 29 1HD1 ILE 29 -5.427 -3.021 -11.190 187 2HD1 ILE 29 2HD1 ILE 29 -6.631 -1.796 -10.776 188 3HD1 ILE 29 3HD1 ILE 29 -5.477 -1.484 -12.079 189 H VAL 30 H VAL 30 -1.445 -4.266 -11.986 190 HA VAL 30 HA VAL 30 1.033 -4.736 -10.689 191 HB VAL 30 HB VAL 30 1.692 -5.141 -13.225 192 1HG1 VAL 30 1HG1 VAL 30 -0.369 -6.827 -11.758 193 2HG1 VAL 30 2HG1 VAL 30 0.776 -7.397 -12.998 194 3HG1 VAL 30 3HG1 VAL 30 1.375 -6.800 -11.436 195 1HG2 VAL 30 1HG2 VAL 30 -1.345 -5.318 -13.500 196 2HG2 VAL 30 2HG2 VAL 30 -0.331 -4.049 -14.235 197 3HG2 VAL 30 3HG2 VAL 30 -0.119 -5.745 -14.693 198 H ASN 31 H ASN 31 2.758 -3.441 -10.363 199 HA ASN 31 HA ASN 31 3.361 -1.178 -12.124 200 1HB ASN 31 1HB ASN 31 2.786 0.580 -10.675 201 2HB ASN 31 2HB ASN 31 1.353 -0.423 -10.743 202 1HD2 ASN 31 1HD2 ASN 31 1.025 -1.920 -8.805 203 2HD2 ASN 31 2HD2 ASN 31 1.610 -1.348 -7.256 204 H SER 32 H SER 32 4.615 -3.378 -9.866 205 HA SER 32 HA SER 32 6.596 -3.712 -8.926 206 1HB SER 32 1HB SER 32 7.435 -1.374 -10.583 207 2HB SER 32 2HB SER 32 8.362 -1.658 -9.124 208 HG SER 32 HG SER 32 7.828 -3.733 -11.003 209 H SER 33 H SER 33 8.049 -2.665 -7.165 210 HA SER 33 HA SER 33 8.356 -2.066 -5.124 211 1HB SER 33 1HB SER 33 8.207 0.136 -6.135 212 2HB SER 33 2HB SER 33 6.484 0.203 -5.776 213 HG SER 33 HG SER 33 8.161 1.191 -4.231 214 H CYS 34 H CYS 34 5.435 -3.225 -6.028 215 HA CYS 34 HA CYS 34 3.805 -2.884 -3.721 216 1HB CYS 34 1HB CYS 34 2.546 -4.813 -4.578 217 2HB CYS 34 2HB CYS 34 2.870 -3.597 -5.822 218 H GLY 35 H GLY 35 3.689 -3.922 -1.765 219 1HA GLY 35 1HA GLY 35 4.445 -6.061 -0.505 220 2HA GLY 35 2HA GLY 35 6.061 -5.505 -1.041 221 H GLU 36 H GLU 36 6.303 -5.333 1.422 222 HA GLU 36 HA GLU 36 4.605 -3.603 2.935 223 1HB GLU 36 1HB GLU 36 5.906 -3.881 4.729 224 2HB GLU 36 2HB GLU 36 6.345 -5.305 3.775 225 1HG GLU 36 1HG GLU 36 8.406 -3.912 3.036 226 2HG GLU 36 2HG GLU 36 7.966 -2.800 4.334 227 H ILE 37 H ILE 37 7.415 -3.047 0.958 228 HA ILE 37 HA ILE 37 8.490 -0.606 1.677 229 HB ILE 37 HB ILE 37 8.288 -2.028 -0.994 230 1HG1 ILE 37 1HG1 ILE 37 10.297 -1.944 1.309 231 2HG1 ILE 37 2HG1 ILE 37 9.331 -3.320 0.776 232 1HG2 ILE 37 1HG2 ILE 37 10.199 0.253 -0.322 233 2HG2 ILE 37 2HG2 ILE 37 10.121 -0.668 -1.831 234 3HG2 ILE 37 3HG2 ILE 37 8.810 0.405 -1.400 235 1HD1 ILE 37 1HD1 ILE 37 11.524 -3.674 0.012 236 2HD1 ILE 37 2HD1 ILE 37 10.529 -3.250 -1.401 237 3HD1 ILE 37 3HD1 ILE 37 11.614 -2.034 -0.674 238 H CYS 38 H CYS 38 6.208 -0.978 -1.142 239 HA CYS 38 HA CYS 38 6.026 1.816 -1.401 240 1HB CYS 38 1HB CYS 38 5.480 0.004 -3.087 241 2HB CYS 38 2HB CYS 38 3.916 -0.192 -2.291 242 H CYS 39 H CYS 39 4.006 -0.474 0.467 243 HA CYS 39 HA CYS 39 1.996 1.347 1.324 244 1HB CYS 39 1HB CYS 39 3.281 -0.937 2.851 245 2HB CYS 39 2HB CYS 39 1.719 -0.205 3.157 246 H ASN 40 H ASN 40 5.244 0.572 2.662 247 HA ASN 40 HA ASN 40 5.104 2.409 4.835 248 1HB ASN 40 1HB ASN 40 7.088 0.626 3.561 249 2HB ASN 40 2HB ASN 40 7.836 2.099 4.039 250 1HD2 ASN 40 1HD2 ASN 40 5.109 0.251 5.573 251 2HD2 ASN 40 2HD2 ASN 40 6.041 -0.184 7.004 252 H ASP 41 H ASP 41 5.677 2.936 1.420 253 HA ASP 41 HA ASP 41 7.019 5.474 1.813 254 1HB ASP 41 1HB ASP 41 7.748 5.303 -0.223 255 2HB ASP 41 2HB ASP 41 7.244 3.649 -0.131 256 H CYS 42 H CYS 42 3.778 4.433 0.738 257 HA CYS 42 HA CYS 42 2.857 7.211 0.683 258 1HB CYS 42 1HB CYS 42 1.200 4.685 0.434 259 2HB CYS 42 2HB CYS 42 0.773 6.315 -0.067 260 H PHE 43 H PHE 43 2.398 4.385 2.836 261 HA PHE 43 HA PHE 43 0.369 5.880 4.405 262 1HB PHE 43 1HB PHE 43 0.859 2.883 4.063 263 2HB PHE 43 2HB PHE 43 -0.235 3.571 5.239 264 HD1 PHE 43 HD1 PHE 43 -2.318 4.702 4.562 265 HD2 PHE 43 HD2 PHE 43 0.209 2.701 1.708 266 HE1 PHE 43 HE1 PHE 43 -4.206 4.626 2.974 267 HE2 PHE 43 HE2 PHE 43 -1.698 2.565 0.130 268 HZ PHE 43 HZ PHE 43 -3.908 3.520 0.753 269 H ASP 44 H ASP 44 0.362 5.443 6.687 270 HA ASP 44 HA ASP 44 2.880 5.563 8.064 271 1HB ASP 44 1HB ASP 44 0.405 6.255 8.723 272 2HB ASP 44 2HB ASP 44 0.274 4.630 9.311 273 H GLU 45 H GLU 45 3.153 3.958 9.881 274 HA GLU 45 HA GLU 45 3.688 1.249 9.009 275 1HB GLU 45 1HB GLU 45 3.627 2.693 11.635 276 2HB GLU 45 2HB GLU 45 3.792 0.936 11.598 277 1HG GLU 45 1HG GLU 45 5.831 1.120 10.261 278 2HG GLU 45 2HG GLU 45 5.688 2.886 10.232 279 H THR 46 H THR 46 1.030 2.757 10.995 280 HA THR 46 HA THR 46 -0.103 0.142 11.542 281 HB THR 46 HB THR 46 -1.152 2.957 11.903 282 HG1 THR 46 HG1 THR 46 -0.631 1.282 14.031 283 1HG2 THR 46 1HG2 THR 46 -2.755 1.951 13.545 284 2HG2 THR 46 2HG2 THR 46 -3.146 1.645 11.867 285 3HG2 THR 46 3HG2 THR 46 -2.410 0.349 12.838 286 H GLY 47 H GLY 47 -0.921 2.741 9.209 287 1HA GLY 47 1HA GLY 47 -3.120 1.507 7.885 288 2HA GLY 47 2HA GLY 47 -1.951 2.623 7.154 289 H THR 48 H THR 48 0.445 1.395 7.213 290 HA THR 48 HA THR 48 0.374 -0.536 5.235 291 HB THR 48 HB THR 48 2.554 0.008 7.289 292 HG1 THR 48 HG1 THR 48 2.308 1.731 6.017 293 1HG2 THR 48 1HG2 THR 48 2.458 -1.839 4.884 294 2HG2 THR 48 2HG2 THR 48 3.958 -1.013 5.314 295 3HG2 THR 48 3HG2 THR 48 3.184 -2.093 6.480 296 H GLY 49 H GLY 49 0.402 -1.133 8.816 297 1HA GLY 49 1HA GLY 49 0.640 -3.796 8.990 298 2HA GLY 49 2HA GLY 49 -0.577 -2.901 9.898 299 H ALA 50 H ALA 50 -2.290 -2.201 7.698 300 HA ALA 50 HA ALA 50 -3.735 -4.753 7.194 301 1HB ALA 50 1HB ALA 50 -5.468 -3.166 6.352 302 2HB ALA 50 2HB ALA 50 -4.913 -2.659 7.956 303 3HB ALA 50 3HB ALA 50 -4.315 -1.821 6.503 304 H CYS 51 H CYS 51 -2.042 -2.201 5.366 305 HA CYS 51 HA CYS 51 -2.818 -3.098 2.809 306 1HB CYS 51 1HB CYS 51 -2.045 -0.862 3.734 307 2HB CYS 51 2HB CYS 51 -0.393 -1.455 3.493 308 H ARG 52 H ARG 52 -0.255 -4.070 5.101 309 HA ARG 52 HA ARG 52 1.288 -5.556 3.301 310 1HB ARG 52 1HB ARG 52 0.975 -6.279 6.194 311 2HB ARG 52 2HB ARG 52 2.126 -6.821 4.948 312 1HG ARG 52 1HG ARG 52 2.918 -4.375 4.788 313 2HG ARG 52 2HG ARG 52 1.999 -4.121 6.269 314 1HD ARG 52 1HD ARG 52 4.217 -4.445 6.903 315 2HD ARG 52 2HD ARG 52 3.259 -5.844 7.443 316 HE ARG 52 HE ARG 52 4.368 -6.469 4.936 317 1HH1 ARG 52 2HH2 ARG 52 5.618 -5.601 8.118 318 2HH1 ARG 52 1HH2 ARG 52 7.167 -6.313 7.873 319 1HH2 ARG 52 2HH1 ARG 52 6.365 -7.705 4.726 320 2HH2 ARG 52 1HH1 ARG 52 7.587 -7.559 5.929 321 H ALA 53 H ALA 53 -1.503 -6.602 5.385 322 HA ALA 53 HA ALA 53 -1.567 -9.278 4.525 323 1HB ALA 53 1HB ALA 53 -4.175 -8.864 4.722 324 2HB ALA 53 2HB ALA 53 -3.144 -8.867 6.173 325 3HB ALA 53 3HB ALA 53 -3.689 -7.337 5.451 326 H GLN 54 H GLN 54 -3.101 -6.430 3.039 327 HA GLN 54 HA GLN 54 -4.134 -7.785 0.777 328 1HB GLN 54 1HB GLN 54 -4.608 -5.396 1.752 329 2HB GLN 54 2HB GLN 54 -3.283 -4.905 0.790 330 1HG GLN 54 1HG GLN 54 -5.139 -4.470 -0.572 331 2HG GLN 54 2HG GLN 54 -4.575 -5.996 -1.200 332 1HE2 GLN 54 1HE2 GLN 54 -6.796 -6.162 -2.083 333 2HE2 GLN 54 2HE2 GLN 54 -8.088 -6.775 -1.050 334 H ALA 55 H ALA 55 -0.743 -7.033 1.302 335 HA ALA 55 HA ALA 55 -0.251 -7.611 -1.605 336 1HB ALA 55 1HB ALA 55 0.678 -5.389 -0.545 337 2HB ALA 55 2HB ALA 55 1.807 -6.478 0.290 338 3HB ALA 55 3HB ALA 55 1.786 -6.424 -1.477 339 H PHE 56 H PHE 56 -0.013 -8.864 1.592 340 HA PHE 56 HA PHE 56 2.284 -10.574 1.139 341 1HB PHE 56 1HB PHE 56 1.433 -9.672 3.407 342 2HB PHE 56 2HB PHE 56 0.040 -10.688 3.208 343 HD1 PHE 56 HD1 PHE 56 3.701 -11.480 2.529 344 HD2 PHE 56 HD2 PHE 56 0.069 -12.586 4.550 345 HE1 PHE 56 HE1 PHE 56 4.864 -13.377 3.532 346 HE2 PHE 56 HE2 PHE 56 1.221 -14.558 5.484 347 HZ PHE 56 HZ PHE 56 3.660 -14.902 5.058 348 H GLY 57 H GLY 57 -1.165 -10.868 1.337 349 1HA GLY 57 1HA GLY 57 -1.171 -13.517 -0.098 350 2HA GLY 57 2HA GLY 57 -1.851 -13.301 1.522 351 H ASN 58 H ASN 58 -2.050 -11.512 -1.579 352 HA ASN 58 HA ASN 58 -4.929 -11.899 -1.796 353 1HB ASN 58 1HB ASN 58 -4.839 -9.932 -0.385 354 2HB ASN 58 2HB ASN 58 -3.478 -9.320 -1.268 355 1HD2 ASN 58 1HD2 ASN 58 -3.916 -7.610 -2.580 356 2HD2 ASN 58 2HD2 ASN 58 -5.363 -7.392 -3.522 357 H SER 59 H SER 59 -2.410 -9.669 -3.018 358 HA SER 59 HA SER 59 -2.717 -10.808 -5.756 359 1HB SER 59 1HB SER 59 -2.496 -7.988 -4.716 360 2HB SER 59 2HB SER 59 -1.932 -8.389 -6.341 361 HG SER 59 HG SER 59 -3.941 -9.079 -6.864 362 H CYS 60 H CYS 60 -0.243 -8.642 -4.210 363 HA CYS 60 HA CYS 60 1.776 -9.662 -5.792 364 1HB CYS 60 1HB CYS 60 1.843 -7.553 -4.337 365 2HB CYS 60 2HB CYS 60 2.302 -8.595 -3.007 366 H LEU 61 H LEU 61 3.226 -11.323 -5.741 367 HA LEU 61 HA LEU 61 2.442 -13.558 -4.139 368 1HB LEU 61 1HB LEU 61 4.029 -13.141 -6.520 369 2HB LEU 61 2HB LEU 61 5.004 -14.061 -5.393 370 HG LEU 61 HG LEU 61 3.803 -15.549 -6.839 371 1HD1 LEU 61 1HD1 LEU 61 2.548 -15.661 -4.062 372 2HD1 LEU 61 2HD1 LEU 61 2.591 -16.970 -5.232 373 3HD1 LEU 61 3HD1 LEU 61 4.112 -16.343 -4.534 374 1HD2 LEU 61 1HD2 LEU 61 1.374 -15.684 -6.982 375 2HD2 LEU 61 2HD2 LEU 61 1.190 -14.324 -5.861 376 3HD2 LEU 61 3HD2 LEU 61 1.927 -14.069 -7.453 377 H ASN 62 H ASN 62 5.256 -11.362 -3.978 378 HA ASN 62 HA ASN 62 5.721 -12.274 -1.238 379 1HB ASN 62 1HB ASN 62 8.240 -11.698 -1.818 380 2HB ASN 62 2HB ASN 62 7.569 -13.309 -1.866 381 1HD2 ASN 62 1HD2 ASN 62 7.545 -14.493 -3.746 382 2HD2 ASN 62 2HD2 ASN 62 8.113 -13.881 -5.294 383 H TRP 63 H TRP 63 5.610 -10.693 0.032 384 HA TRP 63 HA TRP 63 5.262 -7.939 -0.766 385 1HB TRP 63 1HB TRP 63 4.610 -7.705 1.516 386 2HB TRP 63 2HB TRP 63 3.853 -9.141 0.907 387 HD1 TRP 63 HD1 TRP 63 6.934 -10.652 1.539 388 HE1 TRP 63 HE1 TRP 63 7.295 -11.539 3.872 389 HE3 TRP 63 HE3 TRP 63 3.066 -8.336 3.856 390 HZ2 TRP 63 HZ2 TRP 63 6.066 -11.286 6.487 391 HZ3 TRP 63 HZ3 TRP 63 2.609 -8.733 6.295 392 HH2 TRP 63 HH2 TRP 63 4.124 -10.191 7.610 Start of MODEL 12 1 1H THR 1 1H THR 1 -6.006 -2.708 10.443 2 HA THR 1 HA THR 1 -7.555 -0.373 11.310 3 HB THR 1 HB THR 1 -4.816 -0.613 11.494 4 HG1 THR 1 HG1 THR 1 -5.774 1.949 11.333 5 1HG2 THR 1 1HG2 THR 1 -5.399 1.263 9.157 6 2HG2 THR 1 2HG2 THR 1 -3.907 1.163 10.066 7 3HG2 THR 1 3HG2 THR 1 -4.422 -0.226 9.085 8 H ASP 2 H ASP 2 -7.939 1.207 9.540 9 HA ASP 2 HA ASP 2 -8.710 -0.237 7.049 10 1HB ASP 2 1HB ASP 2 -9.772 2.245 8.455 11 2HB ASP 2 2HB ASP 2 -10.293 1.752 6.852 12 HA PRO 3 HA PRO 3 -5.826 2.487 4.891 13 1HB PRO 3 1HB PRO 3 -6.872 2.607 2.385 14 2HB PRO 3 2HB PRO 3 -6.303 1.071 3.086 15 1HG PRO 3 1HG PRO 3 -9.147 2.072 2.968 16 2HG PRO 3 2HG PRO 3 -8.517 0.474 2.454 17 1HD PRO 3 1HD PRO 3 -9.606 0.907 4.940 18 2HD PRO 3 2HD PRO 3 -8.275 -0.257 4.680 19 H GLU 4 H GLU 4 -8.971 3.373 5.669 20 HA GLU 4 HA GLU 4 -9.577 5.665 4.222 21 1HB GLU 4 1HB GLU 4 -10.814 4.157 6.057 22 2HB GLU 4 2HB GLU 4 -10.118 5.308 7.200 23 1HG GLU 4 1HG GLU 4 -12.192 6.252 6.737 24 2HG GLU 4 2HG GLU 4 -11.192 7.106 5.557 25 H GLU 5 H GLU 5 -7.504 5.216 6.900 26 HA GLU 5 HA GLU 5 -6.690 8.065 7.286 27 1HB GLU 5 1HB GLU 5 -7.284 5.742 9.174 28 2HB GLU 5 2HB GLU 5 -6.383 7.150 9.717 29 1HG GLU 5 1HG GLU 5 -9.189 7.312 8.535 30 2HG GLU 5 2HG GLU 5 -8.832 7.108 10.239 31 H HIS 6 H HIS 6 -4.642 7.496 8.974 32 HA HIS 6 HA HIS 6 -2.631 6.934 9.282 33 1HB HIS 6 1HB HIS 6 -3.360 4.478 7.756 34 2HB HIS 6 2HB HIS 6 -1.933 4.608 8.810 35 HD1 HIS 6 HD1 HIS 6 -2.546 4.738 11.546 36 HD2 HIS 6 HD2 HIS 6 -5.696 4.083 8.814 37 HE1 HIS 6 HE1 HIS 6 -4.487 3.813 12.890 38 H PHE 7 H PHE 7 -3.156 8.496 6.805 39 HA PHE 7 HA PHE 7 -1.225 7.723 4.802 40 1HB PHE 7 1HB PHE 7 -3.105 9.929 5.262 41 2HB PHE 7 2HB PHE 7 -1.531 10.573 4.844 42 HD1 PHE 7 HD1 PHE 7 -0.340 8.954 2.887 43 HD2 PHE 7 HD2 PHE 7 -4.530 9.838 3.368 44 HE1 PHE 7 HE1 PHE 7 -0.713 8.478 0.486 45 HE2 PHE 7 HE2 PHE 7 -4.897 9.380 0.972 46 HZ PHE 7 HZ PHE 7 -2.981 8.635 -0.462 47 H ASP 8 H ASP 8 0.965 8.139 4.744 48 HA ASP 8 HA ASP 8 2.131 10.337 6.176 49 1HB ASP 8 1HB ASP 8 2.184 8.606 7.969 50 2HB ASP 8 2HB ASP 8 3.022 7.500 6.884 51 HA PRO 9 HA PRO 9 3.716 8.779 2.094 52 1HB PRO 9 1HB PRO 9 3.413 11.321 0.765 53 2HB PRO 9 2HB PRO 9 2.530 9.803 0.465 54 1HG PRO 9 1HG PRO 9 1.437 12.149 1.641 55 2HG PRO 9 2HG PRO 9 0.717 10.534 1.611 56 1HD PRO 9 1HD PRO 9 2.183 11.884 3.837 57 2HD PRO 9 2HD PRO 9 0.883 10.674 3.916 58 H ASN 10 H ASN 10 5.773 8.606 2.259 59 HA ASN 10 HA ASN 10 7.610 10.672 3.151 60 1HB ASN 10 1HB ASN 10 8.197 8.190 1.480 61 2HB ASN 10 2HB ASN 10 9.385 9.146 2.292 62 1HD2 ASN 10 1HD2 ASN 10 6.806 7.061 2.770 63 2HD2 ASN 10 2HD2 ASN 10 7.303 6.377 4.297 64 H THR 11 H THR 11 9.528 11.081 1.504 65 HA THR 11 HA THR 11 8.387 12.928 -0.369 66 HB THR 11 HB THR 11 10.777 13.636 -0.509 67 HG1 THR 11 HG1 THR 11 12.191 12.607 0.958 68 1HG2 THR 11 1HG2 THR 11 10.888 14.551 1.705 69 2HG2 THR 11 2HG2 THR 11 9.178 14.512 1.234 70 3HG2 THR 11 3HG2 THR 11 9.815 13.290 2.368 71 H ASN 12 H ASN 12 8.073 10.193 -1.199 72 HA ASN 12 HA ASN 12 9.132 10.466 -3.955 73 1HB ASN 12 1HB ASN 12 10.573 8.834 -2.555 74 2HB ASN 12 2HB ASN 12 9.158 7.775 -2.583 75 1HD2 ASN 12 1HD2 ASN 12 8.364 8.330 -5.428 76 2HD2 ASN 12 2HD2 ASN 12 9.520 7.271 -6.178 77 H CYS 13 H CYS 13 6.599 9.281 -1.610 78 HA CYS 13 HA CYS 13 5.126 7.956 -3.665 79 1HB CYS 13 1HB CYS 13 5.062 8.380 -0.742 80 2HB CYS 13 2HB CYS 13 3.499 8.475 -1.486 81 H ASP 14 H ASP 14 3.970 8.961 -5.194 82 HA ASP 14 HA ASP 14 3.386 11.848 -4.910 83 1HB ASP 14 1HB ASP 14 4.195 10.098 -7.058 84 2HB ASP 14 2HB ASP 14 2.626 10.727 -7.477 85 H TYR 15 H TYR 15 1.596 8.899 -4.631 86 HA TYR 15 HA TYR 15 -0.909 10.045 -5.732 87 1HB TYR 15 1HB TYR 15 -0.167 7.236 -4.871 88 2HB TYR 15 2HB TYR 15 -1.746 7.758 -5.444 89 HD1 TYR 15 HD1 TYR 15 0.408 9.515 -7.582 90 HD2 TYR 15 HD2 TYR 15 -1.159 5.591 -6.696 91 HE1 TYR 15 HE1 TYR 15 0.701 8.887 -9.923 92 HE2 TYR 15 HE2 TYR 15 -0.908 4.954 -9.050 93 HH TYR 15 HH TYR 15 0.254 7.224 -11.568 94 H THR 16 H THR 16 -2.153 11.132 -4.345 95 HA THR 16 HA THR 16 -1.943 10.499 -1.465 96 HB THR 16 HB THR 16 -2.371 12.874 -1.153 97 HG1 THR 16 HG1 THR 16 -2.195 13.010 -4.018 98 1HG2 THR 16 1HG2 THR 16 -0.037 12.304 -3.028 99 2HG2 THR 16 2HG2 THR 16 -0.192 13.640 -1.882 100 3HG2 THR 16 3HG2 THR 16 -0.077 11.977 -1.282 101 H ASN 17 H ASN 17 -3.915 9.098 -3.063 102 HA ASN 17 HA ASN 17 -6.434 9.934 -1.701 103 1HB ASN 17 1HB ASN 17 -6.201 8.039 -4.063 104 2HB ASN 17 2HB ASN 17 -7.673 8.598 -3.273 105 1HD2 ASN 17 1HD2 ASN 17 -4.952 9.601 -5.218 106 2HD2 ASN 17 2HD2 ASN 17 -5.709 10.959 -6.036 107 H SER 18 H SER 18 -7.549 8.050 -0.598 108 HA SER 18 HA SER 18 -5.654 6.103 0.370 109 1HB SER 18 1HB SER 18 -8.636 6.486 0.865 110 2HB SER 18 2HB SER 18 -7.585 5.427 1.805 111 HG SER 18 HG SER 18 -6.396 7.242 2.484 112 H GLN 19 H GLN 19 -7.413 6.018 -2.477 113 HA GLN 19 HA GLN 19 -7.770 3.091 -2.360 114 1HB GLN 19 1HB GLN 19 -9.464 5.108 -3.257 115 2HB GLN 19 2HB GLN 19 -8.832 4.411 -4.739 116 1HG GLN 19 1HG GLN 19 -10.146 2.877 -2.472 117 2HG GLN 19 2HG GLN 19 -10.911 3.332 -3.994 118 1HE2 GLN 19 1HE2 GLN 19 -8.609 1.084 -2.475 119 2HE2 GLN 19 2HE2 GLN 19 -8.336 0.117 -3.930 120 H ASP 20 H ASP 20 -6.623 5.515 -4.812 121 HA ASP 20 HA ASP 20 -5.504 3.684 -6.559 122 1HB ASP 20 1HB ASP 20 -4.639 6.545 -5.895 123 2HB ASP 20 2HB ASP 20 -4.118 5.623 -7.293 124 H ALA 21 H ALA 21 -3.573 5.539 -4.128 125 HA ALA 21 HA ALA 21 -1.228 4.086 -4.467 126 1HB ALA 21 1HB ALA 21 -2.360 5.280 -1.904 127 2HB ALA 21 2HB ALA 21 -0.727 4.610 -2.039 128 3HB ALA 21 3HB ALA 21 -1.166 6.004 -3.014 129 H TRP 22 H TRP 22 -3.946 3.261 -2.230 130 HA TRP 22 HA TRP 22 -2.829 0.931 -1.144 131 1HB TRP 22 1HB TRP 22 -4.824 1.945 -0.248 132 2HB TRP 22 2HB TRP 22 -5.715 1.655 -1.717 133 HD1 TRP 22 HD1 TRP 22 -6.540 -0.814 -2.226 134 HE1 TRP 22 HE1 TRP 22 -7.139 -2.738 -0.645 135 HE3 TRP 22 HE3 TRP 22 -3.958 0.713 1.918 136 HZ2 TRP 22 HZ2 TRP 22 -6.537 -3.537 2.084 137 HZ3 TRP 22 HZ3 TRP 22 -4.120 -0.558 4.029 138 HH2 TRP 22 HH2 TRP 22 -5.346 -2.706 4.101 139 H ASP 23 H ASP 23 -5.010 1.079 -4.077 140 HA ASP 23 HA ASP 23 -4.937 -1.739 -4.580 141 1HB ASP 23 1HB ASP 23 -5.597 0.662 -6.271 142 2HB ASP 23 2HB ASP 23 -5.341 -0.887 -7.024 143 H TYR 24 H TYR 24 -2.801 0.916 -5.683 144 HA TYR 24 HA TYR 24 -1.198 -0.715 -7.351 145 1HB TYR 24 1HB TYR 24 -0.859 1.985 -6.017 146 2HB TYR 24 2HB TYR 24 0.485 1.227 -6.841 147 HD1 TYR 24 HD1 TYR 24 0.875 2.222 -8.892 148 HD2 TYR 24 HD2 TYR 24 -3.258 1.647 -7.715 149 HE1 TYR 24 HE1 TYR 24 0.126 2.993 -11.110 150 HE2 TYR 24 HE2 TYR 24 -3.962 2.328 -9.935 151 HH TYR 24 HH TYR 24 -1.742 3.493 -12.458 152 H CYS 25 H CYS 25 -0.613 0.413 -3.985 153 HA CYS 25 HA CYS 25 1.764 -0.877 -3.363 154 1HB CYS 25 1HB CYS 25 -0.687 -0.512 -1.574 155 2HB CYS 25 2HB CYS 25 0.907 -0.936 -0.987 156 H THR 26 H THR 26 -1.512 -2.168 -3.204 157 HA THR 26 HA THR 26 -0.814 -4.701 -1.941 158 HB THR 26 HB THR 26 -3.139 -5.008 -1.788 159 HG1 THR 26 HG1 THR 26 -3.487 -2.550 -3.102 160 1HG2 THR 26 1HG2 THR 26 -2.059 -3.685 -0.139 161 2HG2 THR 26 2HG2 THR 26 -2.265 -2.218 -1.043 162 3HG2 THR 26 3HG2 THR 26 -3.695 -3.044 -0.460 163 H ASN 27 H ASN 27 -0.247 -3.654 -4.971 164 HA ASN 27 HA ASN 27 0.049 -4.387 -6.988 165 1HB ASN 27 1HB ASN 27 1.490 -6.101 -5.680 166 2HB ASN 27 2HB ASN 27 0.220 -7.258 -6.118 167 1HD2 ASN 27 1HD2 ASN 27 0.567 -8.298 -8.223 168 2HD2 ASN 27 2HD2 ASN 27 1.772 -7.671 -9.313 169 H TYR 28 H TYR 28 -2.665 -4.270 -5.900 170 HA TYR 28 HA TYR 28 -4.371 -6.161 -7.256 171 1HB TYR 28 1HB TYR 28 -4.928 -4.462 -5.398 172 2HB TYR 28 2HB TYR 28 -4.826 -3.221 -6.627 173 HD1 TYR 28 HD1 TYR 28 -6.619 -2.598 -7.904 174 HD2 TYR 28 HD2 TYR 28 -6.650 -6.376 -5.826 175 HE1 TYR 28 HE1 TYR 28 -8.890 -2.949 -8.670 176 HE2 TYR 28 HE2 TYR 28 -8.985 -6.709 -6.449 177 HH TYR 28 HH TYR 28 -10.929 -5.257 -7.136 178 H ILE 29 H ILE 29 -2.650 -3.175 -8.017 179 HA ILE 29 HA ILE 29 -3.228 -3.453 -10.922 180 HB ILE 29 HB ILE 29 -2.782 -0.985 -9.226 181 1HG1 ILE 29 1HG1 ILE 29 -5.082 -2.007 -9.232 182 2HG1 ILE 29 2HG1 ILE 29 -5.006 -0.360 -9.751 183 1HG2 ILE 29 1HG2 ILE 29 -3.126 0.230 -11.424 184 2HG2 ILE 29 2HG2 ILE 29 -1.564 -0.604 -11.229 185 3HG2 ILE 29 3HG2 ILE 29 -2.844 -1.314 -12.245 186 1HD1 ILE 29 1HD1 ILE 29 -5.276 -1.039 -12.104 187 2HD1 ILE 29 2HD1 ILE 29 -5.241 -2.755 -11.620 188 3HD1 ILE 29 3HD1 ILE 29 -6.561 -1.703 -11.088 189 H VAL 30 H VAL 30 -1.425 -4.521 -11.681 190 HA VAL 30 HA VAL 30 1.098 -4.546 -10.402 191 HB VAL 30 HB VAL 30 1.765 -4.929 -13.047 192 1HG1 VAL 30 1HG1 VAL 30 0.598 -7.002 -11.178 193 2HG1 VAL 30 2HG1 VAL 30 1.769 -7.252 -12.515 194 3HG1 VAL 30 3HG1 VAL 30 2.239 -6.320 -11.093 195 1HG2 VAL 30 1HG2 VAL 30 -0.981 -6.193 -12.836 196 2HG2 VAL 30 2HG2 VAL 30 -0.657 -4.705 -13.766 197 3HG2 VAL 30 3HG2 VAL 30 0.144 -6.224 -14.189 198 H ASN 31 H ASN 31 2.437 -2.944 -10.044 199 HA ASN 31 HA ASN 31 2.891 -0.884 -12.115 200 1HB ASN 31 1HB ASN 31 2.488 0.946 -10.659 201 2HB ASN 31 2HB ASN 31 1.046 -0.065 -10.619 202 1HD2 ASN 31 1HD2 ASN 31 0.983 -1.709 -8.681 203 2HD2 ASN 31 2HD2 ASN 31 1.750 -1.202 -7.194 204 H SER 32 H SER 32 4.328 -3.102 -10.009 205 HA SER 32 HA SER 32 6.367 -3.432 -9.277 206 1HB SER 32 1HB SER 32 7.000 -2.197 -11.455 207 2HB SER 32 2HB SER 32 7.371 -0.812 -10.419 208 HG SER 32 HG SER 32 9.091 -1.748 -9.778 209 H SER 33 H SER 33 8.106 -2.081 -7.710 210 HA SER 33 HA SER 33 8.528 -1.325 -5.749 211 1HB SER 33 1HB SER 33 6.377 0.707 -6.386 212 2HB SER 33 2HB SER 33 7.641 0.815 -5.142 213 HG SER 33 HG SER 33 9.165 1.044 -6.604 214 H CYS 34 H CYS 34 5.692 -2.774 -6.248 215 HA CYS 34 HA CYS 34 4.125 -2.288 -3.935 216 1HB CYS 34 1HB CYS 34 2.917 -4.354 -4.636 217 2HB CYS 34 2HB CYS 34 3.189 -3.235 -5.962 218 H GLY 35 H GLY 35 3.469 -4.074 -2.354 219 1HA GLY 35 1HA GLY 35 4.185 -5.917 -0.937 220 2HA GLY 35 2HA GLY 35 5.873 -5.454 -1.263 221 H GLU 36 H GLU 36 5.896 -5.355 1.248 222 HA GLU 36 HA GLU 36 4.217 -3.520 2.598 223 1HB GLU 36 1HB GLU 36 5.534 -3.715 4.479 224 2HB GLU 36 2HB GLU 36 5.483 -5.297 3.675 225 1HG GLU 36 1HG GLU 36 7.860 -3.371 3.581 226 2HG GLU 36 2HG GLU 36 7.650 -4.670 4.754 227 H ILE 37 H ILE 37 7.121 -3.054 0.822 228 HA ILE 37 HA ILE 37 8.182 -0.600 1.580 229 HB ILE 37 HB ILE 37 7.809 -1.740 -1.200 230 1HG1 ILE 37 1HG1 ILE 37 10.367 -2.171 -0.357 231 2HG1 ILE 37 2HG1 ILE 37 9.543 -2.437 1.134 232 1HG2 ILE 37 1HG2 ILE 37 9.810 0.325 -0.113 233 2HG2 ILE 37 2HG2 ILE 37 9.796 -0.323 -1.765 234 3HG2 ILE 37 3HG2 ILE 37 8.484 0.714 -1.201 235 1HD1 ILE 37 1HD1 ILE 37 8.795 -3.860 -1.476 236 2HD1 ILE 37 2HD1 ILE 37 9.877 -4.522 -0.259 237 3HD1 ILE 37 3HD1 ILE 37 8.177 -4.227 0.133 238 H CYS 38 H CYS 38 5.800 -0.988 -1.161 239 HA CYS 38 HA CYS 38 5.474 1.823 -1.366 240 1HB CYS 38 1HB CYS 38 4.980 0.030 -3.094 241 2HB CYS 38 2HB CYS 38 3.479 -0.298 -2.247 242 H CYS 39 H CYS 39 3.766 -0.609 0.578 243 HA CYS 39 HA CYS 39 1.694 1.023 1.652 244 1HB CYS 39 1HB CYS 39 3.266 -1.014 3.225 245 2HB CYS 39 2HB CYS 39 1.617 -0.503 3.401 246 H ASN 40 H ASN 40 4.983 0.347 2.981 247 HA ASN 40 HA ASN 40 5.018 2.140 5.120 248 1HB ASN 40 1HB ASN 40 6.982 0.585 3.502 249 2HB ASN 40 2HB ASN 40 7.661 2.090 3.983 250 1HD2 ASN 40 1HD2 ASN 40 5.275 0.169 5.834 251 2HD2 ASN 40 2HD2 ASN 40 6.429 -0.341 7.067 252 H ASP 41 H ASP 41 5.859 2.673 1.734 253 HA ASP 41 HA ASP 41 7.036 5.164 2.187 254 1HB ASP 41 1HB ASP 41 6.039 3.919 -0.378 255 2HB ASP 41 2HB ASP 41 6.929 5.439 -0.221 256 H CYS 42 H CYS 42 3.673 4.301 1.780 257 HA CYS 42 HA CYS 42 2.866 7.147 1.310 258 1HB CYS 42 1HB CYS 42 2.053 4.731 -0.006 259 2HB CYS 42 2HB CYS 42 0.687 5.360 0.911 260 H PHE 43 H PHE 43 2.410 4.298 3.377 261 HA PHE 43 HA PHE 43 0.304 5.638 4.980 262 1HB PHE 43 1HB PHE 43 0.845 2.679 4.431 263 2HB PHE 43 2HB PHE 43 -0.239 3.276 5.666 264 HD1 PHE 43 HD1 PHE 43 -2.464 4.271 5.083 265 HD2 PHE 43 HD2 PHE 43 0.193 2.670 2.073 266 HE1 PHE 43 HE1 PHE 43 -4.312 4.191 3.483 267 HE2 PHE 43 HE2 PHE 43 -1.691 2.520 0.493 268 HZ PHE 43 HZ PHE 43 -3.959 3.327 1.194 269 H ASP 44 H ASP 44 0.656 5.589 7.183 270 HA ASP 44 HA ASP 44 3.280 5.265 8.276 271 1HB ASP 44 1HB ASP 44 1.186 6.456 9.272 272 2HB ASP 44 2HB ASP 44 0.723 4.884 9.900 273 H GLU 45 H GLU 45 3.600 3.701 10.119 274 HA GLU 45 HA GLU 45 3.876 1.010 9.312 275 1HB GLU 45 1HB GLU 45 5.038 2.109 11.222 276 2HB GLU 45 2HB GLU 45 3.493 2.130 12.074 277 1HG GLU 45 1HG GLU 45 3.549 -0.482 11.821 278 2HG GLU 45 2HG GLU 45 5.235 -0.262 11.384 279 H THR 46 H THR 46 1.188 2.607 10.993 280 HA THR 46 HA THR 46 -0.202 0.183 11.666 281 HB THR 46 HB THR 46 -1.218 3.051 11.609 282 HG1 THR 46 HG1 THR 46 -0.161 3.297 13.527 283 1HG2 THR 46 1HG2 THR 46 -2.538 2.297 13.588 284 2HG2 THR 46 2HG2 THR 46 -2.989 1.431 12.120 285 3HG2 THR 46 3HG2 THR 46 -1.942 0.643 13.322 286 H GLY 47 H GLY 47 -0.756 2.727 9.146 287 1HA GLY 47 1HA GLY 47 -3.027 1.505 7.883 288 2HA GLY 47 2HA GLY 47 -1.905 2.674 7.166 289 H THR 48 H THR 48 0.512 1.329 7.398 290 HA THR 48 HA THR 48 0.568 -0.466 5.284 291 HB THR 48 HB THR 48 2.451 0.086 7.623 292 HG1 THR 48 HG1 THR 48 2.578 1.697 6.176 293 1HG2 THR 48 1HG2 THR 48 2.849 -2.255 6.962 294 2HG2 THR 48 2HG2 THR 48 3.048 -1.750 5.270 295 3HG2 THR 48 3HG2 THR 48 4.186 -1.229 6.522 296 H GLY 49 H GLY 49 0.351 -1.302 8.851 297 1HA GLY 49 1HA GLY 49 0.680 -4.022 8.446 298 2HA GLY 49 2HA GLY 49 -0.300 -3.318 9.757 299 H ALA 50 H ALA 50 -2.200 -2.176 7.630 300 HA ALA 50 HA ALA 50 -3.886 -4.569 7.121 301 1HB ALA 50 1HB ALA 50 -5.466 -2.871 6.307 302 2HB ALA 50 2HB ALA 50 -4.816 -2.352 7.879 303 3HB ALA 50 3HB ALA 50 -4.200 -1.613 6.383 304 H CYS 51 H CYS 51 -2.043 -2.109 5.266 305 HA CYS 51 HA CYS 51 -2.890 -2.947 2.715 306 1HB CYS 51 1HB CYS 51 -1.964 -0.736 3.571 307 2HB CYS 51 2HB CYS 51 -0.366 -1.469 3.483 308 H ARG 52 H ARG 52 -0.221 -3.905 4.880 309 HA ARG 52 HA ARG 52 1.174 -5.472 3.027 310 1HB ARG 52 1HB ARG 52 0.979 -5.862 6.038 311 2HB ARG 52 2HB ARG 52 2.040 -6.743 4.903 312 1HG ARG 52 1HG ARG 52 3.144 -4.676 4.234 313 2HG ARG 52 2HG ARG 52 2.101 -3.767 5.299 314 1HD ARG 52 1HD ARG 52 4.085 -3.986 6.498 315 2HD ARG 52 2HD ARG 52 3.008 -5.187 7.228 316 HE ARG 52 HE ARG 52 4.475 -6.495 5.211 317 1HH1 ARG 52 2HH2 ARG 52 5.281 -4.653 8.164 318 2HH1 ARG 52 1HH2 ARG 52 6.836 -5.416 8.324 319 1HH2 ARG 52 2HH1 ARG 52 6.592 -7.430 5.441 320 2HH2 ARG 52 1HH1 ARG 52 7.586 -6.956 6.748 321 H ALA 53 H ALA 53 -1.635 -6.305 5.190 322 HA ALA 53 HA ALA 53 -1.578 -9.075 4.546 323 1HB ALA 53 1HB ALA 53 -3.071 -8.172 6.319 324 2HB ALA 53 2HB ALA 53 -4.045 -7.339 5.081 325 3HB ALA 53 3HB ALA 53 -3.987 -9.104 5.098 326 H GLN 54 H GLN 54 -3.285 -6.351 3.008 327 HA GLN 54 HA GLN 54 -4.268 -7.845 0.777 328 1HB GLN 54 1HB GLN 54 -4.884 -5.451 1.698 329 2HB GLN 54 2HB GLN 54 -3.584 -4.920 0.741 330 1HG GLN 54 1HG GLN 54 -5.526 -4.591 -0.554 331 2HG GLN 54 2HG GLN 54 -4.775 -6.006 -1.234 332 1HE2 GLN 54 1HE2 GLN 54 -6.935 -6.458 -2.186 333 2HE2 GLN 54 2HE2 GLN 54 -8.175 -7.234 -1.217 334 H ALA 55 H ALA 55 -0.969 -7.058 1.443 335 HA ALA 55 HA ALA 55 -0.258 -7.391 -1.422 336 1HB ALA 55 1HB ALA 55 1.672 -6.022 -1.042 337 2HB ALA 55 2HB ALA 55 0.335 -5.135 -0.268 338 3HB ALA 55 3HB ALA 55 1.467 -6.068 0.718 339 H PHE 56 H PHE 56 -0.372 -9.076 1.399 340 HA PHE 56 HA PHE 56 2.161 -10.576 1.135 341 1HB PHE 56 1HB PHE 56 1.519 -9.624 3.374 342 2HB PHE 56 2HB PHE 56 0.007 -10.462 3.293 343 HD1 PHE 56 HD1 PHE 56 -0.013 -12.040 5.009 344 HD2 PHE 56 HD2 PHE 56 3.411 -11.903 2.382 345 HE1 PHE 56 HE1 PHE 56 0.919 -14.051 6.105 346 HE2 PHE 56 HE2 PHE 56 4.303 -13.930 3.446 347 HZ PHE 56 HZ PHE 56 3.084 -15.009 5.327 348 H GLY 57 H GLY 57 -1.253 -10.979 1.661 349 1HA GLY 57 1HA GLY 57 -1.319 -13.698 0.368 350 2HA GLY 57 2HA GLY 57 -2.087 -13.388 1.937 351 H ASN 58 H ASN 58 -1.968 -11.670 -1.215 352 HA ASN 58 HA ASN 58 -4.884 -11.922 -1.624 353 1HB ASN 58 1HB ASN 58 -4.701 -9.926 -0.237 354 2HB ASN 58 2HB ASN 58 -3.332 -9.380 -1.206 355 1HD2 ASN 58 1HD2 ASN 58 -3.934 -7.670 -2.515 356 2HD2 ASN 58 2HD2 ASN 58 -5.424 -7.579 -3.412 357 H SER 59 H SER 59 -2.943 -9.463 -3.254 358 HA SER 59 HA SER 59 -3.276 -10.916 -5.789 359 1HB SER 59 1HB SER 59 -2.992 -8.040 -4.890 360 2HB SER 59 2HB SER 59 -2.648 -8.468 -6.558 361 HG SER 59 HG SER 59 -4.716 -9.355 -6.714 362 H CYS 60 H CYS 60 -0.688 -9.286 -3.925 363 HA CYS 60 HA CYS 60 1.331 -9.682 -5.997 364 1HB CYS 60 1HB CYS 60 1.123 -7.916 -4.075 365 2HB CYS 60 2HB CYS 60 1.939 -9.114 -3.069 366 H LEU 61 H LEU 61 3.415 -11.155 -5.251 367 HA LEU 61 HA LEU 61 2.320 -13.721 -4.183 368 1HB LEU 61 1HB LEU 61 3.202 -13.952 -6.297 369 2HB LEU 61 2HB LEU 61 4.672 -13.052 -5.909 370 HG LEU 61 HG LEU 61 5.482 -14.825 -4.465 371 1HD1 LEU 61 1HD1 LEU 61 2.715 -16.071 -4.811 372 2HD1 LEU 61 2HD1 LEU 61 4.146 -16.976 -4.219 373 3HD1 LEU 61 3HD1 LEU 61 3.517 -15.627 -3.293 374 1HD2 LEU 61 1HD2 LEU 61 5.628 -15.019 -6.932 375 2HD2 LEU 61 2HD2 LEU 61 5.623 -16.597 -6.123 376 3HD2 LEU 61 3HD2 LEU 61 4.142 -15.976 -6.919 377 H ASN 62 H ASN 62 5.347 -11.852 -4.167 378 HA ASN 62 HA ASN 62 5.698 -12.442 -1.258 379 1HB ASN 62 1HB ASN 62 7.767 -11.453 -3.261 380 2HB ASN 62 2HB ASN 62 8.031 -11.883 -1.567 381 1HD2 ASN 62 1HD2 ASN 62 9.150 -13.088 -4.178 382 2HD2 ASN 62 2HD2 ASN 62 8.702 -14.786 -4.040 383 H TRP 63 H TRP 63 5.073 -10.762 -0.042 384 HA TRP 63 HA TRP 63 4.823 -8.017 -0.885 385 1HB TRP 63 1HB TRP 63 5.067 -7.600 1.577 386 2HB TRP 63 2HB TRP 63 3.718 -8.625 1.151 387 HD1 TRP 63 HD1 TRP 63 6.586 -10.977 1.264 388 HE1 TRP 63 HE1 TRP 63 6.668 -12.176 3.484 389 HE3 TRP 63 HE3 TRP 63 3.385 -8.017 3.829 390 HZ2 TRP 63 HZ2 TRP 63 5.421 -11.938 6.093 391 HZ3 TRP 63 HZ3 TRP 63 2.907 -8.457 6.278 392 HH2 TRP 63 HH2 TRP 63 3.905 -10.428 7.382 Start of MODEL 13 1 1H THR 1 1H THR 1 -7.521 -3.444 9.057 2 HA THR 1 HA THR 1 -8.925 -1.899 10.223 3 HB THR 1 HB THR 1 -6.886 -1.066 11.536 4 HG1 THR 1 HG1 THR 1 -8.012 0.961 11.865 5 1HG2 THR 1 1HG2 THR 1 -5.436 0.444 10.737 6 2HG2 THR 1 2HG2 THR 1 -6.002 0.000 9.100 7 3HG2 THR 1 3HG2 THR 1 -6.690 1.390 9.948 8 H ASP 2 H ASP 2 -9.319 0.593 9.298 9 HA ASP 2 HA ASP 2 -9.694 0.276 6.424 10 1HB ASP 2 1HB ASP 2 -10.069 3.009 7.435 11 2HB ASP 2 2HB ASP 2 -11.141 1.984 6.496 12 HA PRO 3 HA PRO 3 -5.736 2.302 5.517 13 1HB PRO 3 1HB PRO 3 -6.194 3.193 2.934 14 2HB PRO 3 2HB PRO 3 -5.901 1.491 3.393 15 1HG PRO 3 1HG PRO 3 -8.503 2.876 2.818 16 2HG PRO 3 2HG PRO 3 -7.968 1.250 2.291 17 1HD PRO 3 1HD PRO 3 -9.646 1.688 4.438 18 2HD PRO 3 2HD PRO 3 -8.504 0.314 4.356 19 H GLU 4 H GLU 4 -8.738 4.013 5.268 20 HA GLU 4 HA GLU 4 -8.206 6.404 4.142 21 1HB GLU 4 1HB GLU 4 -10.390 5.416 4.965 22 2HB GLU 4 2HB GLU 4 -9.925 5.877 6.586 23 1HG GLU 4 1HG GLU 4 -11.391 7.576 5.899 24 2HG GLU 4 2HG GLU 4 -9.821 8.329 5.673 25 H GLU 5 H GLU 5 -7.704 5.680 7.596 26 HA GLU 5 HA GLU 5 -7.140 8.526 8.082 27 1HB GLU 5 1HB GLU 5 -8.068 6.237 9.839 28 2HB GLU 5 2HB GLU 5 -7.651 7.836 10.472 29 1HG GLU 5 1HG GLU 5 -9.242 8.838 8.729 30 2HG GLU 5 2HG GLU 5 -9.738 7.201 8.335 31 H HIS 6 H HIS 6 -5.111 6.531 7.011 32 HA HIS 6 HA HIS 6 -2.974 6.850 9.082 33 1HB HIS 6 1HB HIS 6 -3.843 4.400 7.492 34 2HB HIS 6 2HB HIS 6 -2.322 4.546 8.377 35 HD1 HIS 6 HD1 HIS 6 -2.289 4.415 10.883 36 HD2 HIS 6 HD2 HIS 6 -6.131 4.229 9.147 37 HE1 HIS 6 HE1 HIS 6 -3.926 3.639 12.755 38 H PHE 7 H PHE 7 -2.916 8.762 7.202 39 HA PHE 7 HA PHE 7 -1.204 7.848 4.958 40 1HB PHE 7 1HB PHE 7 -3.166 9.962 5.280 41 2HB PHE 7 2HB PHE 7 -1.613 10.700 4.951 42 HD1 PHE 7 HD1 PHE 7 -0.228 8.986 3.090 43 HD2 PHE 7 HD2 PHE 7 -4.438 9.945 3.309 44 HE1 PHE 7 HE1 PHE 7 -0.495 8.355 0.713 45 HE2 PHE 7 HE2 PHE 7 -4.668 9.407 0.911 46 HZ PHE 7 HZ PHE 7 -2.721 8.430 -0.345 47 H ASP 8 H ASP 8 1.038 8.110 5.112 48 HA ASP 8 HA ASP 8 2.019 10.482 6.469 49 1HB ASP 8 1HB ASP 8 1.831 8.787 8.328 50 2HB ASP 8 2HB ASP 8 2.998 7.786 7.461 51 HA PRO 9 HA PRO 9 3.802 8.591 2.651 52 1HB PRO 9 1HB PRO 9 3.774 10.997 1.097 53 2HB PRO 9 2HB PRO 9 2.723 9.571 0.980 54 1HG PRO 9 1HG PRO 9 2.054 12.207 2.011 55 2HG PRO 9 2HG PRO 9 0.991 10.790 1.815 56 1HD PRO 9 1HD PRO 9 2.228 11.839 4.244 57 2HD PRO 9 2HD PRO 9 0.989 10.578 4.079 58 H ASN 10 H ASN 10 5.810 8.520 2.016 59 HA ASN 10 HA ASN 10 7.884 10.269 3.198 60 1HB ASN 10 1HB ASN 10 8.099 7.808 1.401 61 2HB ASN 10 2HB ASN 10 9.433 8.589 2.150 62 1HD2 ASN 10 1HD2 ASN 10 6.647 6.864 2.857 63 2HD2 ASN 10 2HD2 ASN 10 7.187 6.057 4.305 64 H THR 11 H THR 11 9.771 10.522 1.504 65 HA THR 11 HA THR 11 8.763 12.270 -0.611 66 HB THR 11 HB THR 11 11.142 12.960 -0.717 67 HG1 THR 11 HG1 THR 11 12.132 11.777 1.451 68 1HG2 THR 11 1HG2 THR 11 11.335 14.028 1.426 69 2HG2 THR 11 2HG2 THR 11 9.609 13.943 1.041 70 3HG2 THR 11 3HG2 THR 11 10.300 12.815 2.217 71 H ASN 12 H ASN 12 7.877 10.071 -1.324 72 HA ASN 12 HA ASN 12 9.287 9.302 -3.733 73 1HB ASN 12 1HB ASN 12 10.132 7.694 -1.884 74 2HB ASN 12 2HB ASN 12 8.477 7.071 -1.811 75 1HD2 ASN 12 1HD2 ASN 12 11.088 7.853 -4.236 76 2HD2 ASN 12 2HD2 ASN 12 10.750 6.432 -5.207 77 H CYS 13 H CYS 13 6.535 8.757 -1.482 78 HA CYS 13 HA CYS 13 4.656 7.780 -3.145 79 1HB CYS 13 1HB CYS 13 4.334 8.148 -0.754 80 2HB CYS 13 2HB CYS 13 4.310 9.891 -0.988 81 H ASP 14 H ASP 14 3.123 8.491 -4.594 82 HA ASP 14 HA ASP 14 3.182 11.352 -5.486 83 1HB ASP 14 1HB ASP 14 2.903 8.794 -7.065 84 2HB ASP 14 2HB ASP 14 2.078 10.255 -7.589 85 H TYR 15 H TYR 15 1.200 8.414 -4.862 86 HA TYR 15 HA TYR 15 -1.257 9.866 -5.405 87 1HB TYR 15 1HB TYR 15 -0.707 7.021 -4.483 88 2HB TYR 15 2HB TYR 15 -2.271 7.649 -4.977 89 HD1 TYR 15 HD1 TYR 15 -0.209 9.261 -7.303 90 HD2 TYR 15 HD2 TYR 15 -1.523 5.288 -6.212 91 HE1 TYR 15 HE1 TYR 15 0.164 8.516 -9.588 92 HE2 TYR 15 HE2 TYR 15 -1.167 4.544 -8.532 93 HH TYR 15 HH TYR 15 0.216 6.730 -11.028 94 H THR 16 H THR 16 -2.200 11.121 -3.884 95 HA THR 16 HA THR 16 -1.826 10.422 -1.045 96 HB THR 16 HB THR 16 -2.265 12.844 -0.694 97 HG1 THR 16 HG1 THR 16 -1.542 13.305 -3.341 98 1HG2 THR 16 1HG2 THR 16 0.112 12.067 -2.456 99 2HG2 THR 16 2HG2 THR 16 0.001 13.518 -1.457 100 3HG2 THR 16 3HG2 THR 16 0.019 11.923 -0.696 101 H ASN 17 H ASN 17 -4.028 9.187 -2.781 102 HA ASN 17 HA ASN 17 -6.432 10.428 -1.671 103 1HB ASN 17 1HB ASN 17 -7.419 8.276 -2.978 104 2HB ASN 17 2HB ASN 17 -7.032 9.754 -3.781 105 1HD2 ASN 17 1HD2 ASN 17 -5.545 9.726 -5.331 106 2HD2 ASN 17 2HD2 ASN 17 -4.486 8.406 -5.809 107 H SER 18 H SER 18 -5.374 7.074 -1.826 108 HA SER 18 HA SER 18 -5.374 5.848 0.461 109 1HB SER 18 1HB SER 18 -7.269 6.806 1.528 110 2HB SER 18 2HB SER 18 -8.273 6.667 0.074 111 HG SER 18 HG SER 18 -8.754 5.134 1.692 112 H GLN 19 H GLN 19 -7.904 5.785 -2.169 113 HA GLN 19 HA GLN 19 -7.608 2.966 -2.264 114 1HB GLN 19 1HB GLN 19 -9.715 4.218 -2.692 115 2HB GLN 19 2HB GLN 19 -9.039 4.789 -4.225 116 1HG GLN 19 1HG GLN 19 -10.564 2.933 -4.590 117 2HG GLN 19 2HG GLN 19 -8.931 2.440 -5.035 118 1HE2 GLN 19 1HE2 GLN 19 -8.207 0.476 -4.136 119 2HE2 GLN 19 2HE2 GLN 19 -8.982 -0.327 -2.819 120 H ASP 20 H ASP 20 -6.429 5.484 -4.573 121 HA ASP 20 HA ASP 20 -5.446 3.570 -6.527 122 1HB ASP 20 1HB ASP 20 -5.052 6.500 -6.031 123 2HB ASP 20 2HB ASP 20 -3.729 5.685 -6.767 124 H ALA 21 H ALA 21 -3.952 5.385 -3.821 125 HA ALA 21 HA ALA 21 -1.329 4.394 -4.067 126 1HB ALA 21 1HB ALA 21 -2.824 5.136 -1.507 127 2HB ALA 21 2HB ALA 21 -1.063 5.008 -1.697 128 3HB ALA 21 3HB ALA 21 -1.962 6.258 -2.576 129 H TRP 22 H TRP 22 -3.917 3.178 -1.929 130 HA TRP 22 HA TRP 22 -2.769 0.827 -0.994 131 1HB TRP 22 1HB TRP 22 -4.899 1.799 -0.208 132 2HB TRP 22 2HB TRP 22 -5.660 1.431 -1.741 133 HD1 TRP 22 HD1 TRP 22 -6.251 -1.118 -2.239 134 HE1 TRP 22 HE1 TRP 22 -6.810 -3.039 -0.649 135 HE3 TRP 22 HE3 TRP 22 -4.086 0.704 2.028 136 HZ2 TRP 22 HZ2 TRP 22 -6.454 -3.669 2.177 137 HZ3 TRP 22 HZ3 TRP 22 -4.323 -0.511 4.183 138 HH2 TRP 22 HH2 TRP 22 -5.447 -2.669 4.260 139 H ASP 23 H ASP 23 -4.771 1.216 -4.021 140 HA ASP 23 HA ASP 23 -4.742 -1.525 -4.655 141 1HB ASP 23 1HB ASP 23 -5.144 0.981 -6.312 142 2HB ASP 23 2HB ASP 23 -5.127 -0.605 -7.048 143 H TYR 24 H TYR 24 -2.493 1.062 -5.688 144 HA TYR 24 HA TYR 24 -0.979 -0.694 -7.363 145 1HB TYR 24 1HB TYR 24 -0.551 2.067 -6.203 146 2HB TYR 24 2HB TYR 24 0.734 1.244 -7.054 147 HD1 TYR 24 HD1 TYR 24 1.012 1.867 -9.252 148 HD2 TYR 24 HD2 TYR 24 -2.992 1.855 -7.675 149 HE1 TYR 24 HE1 TYR 24 0.129 2.561 -11.463 150 HE2 TYR 24 HE2 TYR 24 -3.854 2.728 -9.781 151 HH TYR 24 HH TYR 24 -3.332 2.939 -12.155 152 H CYS 25 H CYS 25 -0.582 0.436 -3.956 153 HA CYS 25 HA CYS 25 1.823 -0.891 -3.291 154 1HB CYS 25 1HB CYS 25 -0.654 -0.538 -1.543 155 2HB CYS 25 2HB CYS 25 0.923 -1.027 -0.966 156 H THR 26 H THR 26 -1.500 -2.128 -3.233 157 HA THR 26 HA THR 26 -0.743 -4.703 -2.040 158 HB THR 26 HB THR 26 -3.057 -5.025 -1.797 159 HG1 THR 26 HG1 THR 26 -3.448 -2.466 -2.942 160 1HG2 THR 26 1HG2 THR 26 -2.133 -2.251 -0.967 161 2HG2 THR 26 2HG2 THR 26 -3.542 -3.076 -0.332 162 3HG2 THR 26 3HG2 THR 26 -1.912 -3.763 -0.124 163 H ASN 27 H ASN 27 -0.516 -3.603 -5.122 164 HA ASN 27 HA ASN 27 -0.264 -4.496 -7.136 165 1HB ASN 27 1HB ASN 27 1.034 -6.238 -5.774 166 2HB ASN 27 2HB ASN 27 -0.359 -7.270 -5.918 167 1HD2 ASN 27 1HD2 ASN 27 -0.163 -8.727 -7.629 168 2HD2 ASN 27 2HD2 ASN 27 0.709 -8.399 -9.090 169 H TYR 28 H TYR 28 -2.924 -4.040 -5.934 170 HA TYR 28 HA TYR 28 -4.894 -5.778 -7.161 171 1HB TYR 28 1HB TYR 28 -5.269 -4.097 -5.289 172 2HB TYR 28 2HB TYR 28 -4.990 -2.835 -6.499 173 HD1 TYR 28 HD1 TYR 28 -6.669 -2.065 -7.952 174 HD2 TYR 28 HD2 TYR 28 -7.345 -5.488 -5.445 175 HE1 TYR 28 HE1 TYR 28 -9.001 -1.994 -8.580 176 HE2 TYR 28 HE2 TYR 28 -9.737 -5.409 -5.947 177 HH TYR 28 HH TYR 28 -11.046 -2.961 -8.283 178 H ILE 29 H ILE 29 -2.759 -3.144 -8.073 179 HA ILE 29 HA ILE 29 -3.511 -3.346 -10.933 180 HB ILE 29 HB ILE 29 -2.624 -0.910 -9.367 181 1HG1 ILE 29 1HG1 ILE 29 -5.033 -1.632 -9.147 182 2HG1 ILE 29 2HG1 ILE 29 -4.779 -0.031 -9.696 183 1HG2 ILE 29 1HG2 ILE 29 -1.563 -0.784 -11.535 184 2HG2 ILE 29 2HG2 ILE 29 -3.052 -1.297 -12.355 185 3HG2 ILE 29 3HG2 ILE 29 -2.974 0.281 -11.567 186 1HD1 ILE 29 1HD1 ILE 29 -5.486 -2.376 -11.516 187 2HD1 ILE 29 2HD1 ILE 29 -6.629 -1.182 -10.879 188 3HD1 ILE 29 3HD1 ILE 29 -5.371 -0.668 -12.007 189 H VAL 30 H VAL 30 -1.953 -4.786 -11.547 190 HA VAL 30 HA VAL 30 0.724 -4.974 -10.561 191 HB VAL 30 HB VAL 30 -0.832 -5.986 -12.927 192 1HG1 VAL 30 1HG1 VAL 30 1.153 -7.173 -13.829 193 2HG1 VAL 30 2HG1 VAL 30 1.240 -5.433 -14.082 194 3HG1 VAL 30 3HG1 VAL 30 2.203 -6.174 -12.778 195 1HG2 VAL 30 1HG2 VAL 30 -0.789 -7.114 -10.709 196 2HG2 VAL 30 2HG2 VAL 30 -0.101 -8.134 -11.983 197 3HG2 VAL 30 3HG2 VAL 30 0.971 -7.263 -10.859 198 H ASN 31 H ASN 31 2.281 -3.665 -10.762 199 HA ASN 31 HA ASN 31 2.569 -1.858 -13.050 200 1HB ASN 31 1HB ASN 31 2.420 0.191 -11.935 201 2HB ASN 31 2HB ASN 31 0.961 -0.665 -11.562 202 1HD2 ASN 31 1HD2 ASN 31 0.917 -1.805 -9.318 203 2HD2 ASN 31 2HD2 ASN 31 1.847 -1.100 -8.031 204 H SER 32 H SER 32 3.933 -1.683 -9.724 205 HA SER 32 HA SER 32 6.229 -3.187 -9.937 206 1HB SER 32 1HB SER 32 6.619 -0.225 -10.591 207 2HB SER 32 2HB SER 32 7.912 -1.274 -9.972 208 HG SER 32 HG SER 32 6.435 -2.075 -12.210 209 H SER 33 H SER 33 7.636 -2.495 -7.955 210 HA SER 33 HA SER 33 8.129 -1.683 -5.973 211 1HB SER 33 1HB SER 33 7.155 0.513 -7.128 212 2HB SER 33 2HB SER 33 5.869 0.300 -5.957 213 HG SER 33 HG SER 33 7.228 1.352 -4.734 214 H CYS 34 H CYS 34 5.109 -2.955 -6.602 215 HA CYS 34 HA CYS 34 3.677 -2.572 -4.214 216 1HB CYS 34 1HB CYS 34 2.247 -4.368 -4.964 217 2HB CYS 34 2HB CYS 34 2.684 -3.352 -6.326 218 H GLY 35 H GLY 35 3.178 -4.040 -2.468 219 1HA GLY 35 1HA GLY 35 4.026 -5.958 -1.098 220 2HA GLY 35 2HA GLY 35 5.638 -5.479 -1.626 221 H GLU 36 H GLU 36 5.784 -5.389 0.863 222 HA GLU 36 HA GLU 36 4.214 -3.544 2.355 223 1HB GLU 36 1HB GLU 36 5.577 -4.103 4.152 224 2HB GLU 36 2HB GLU 36 5.348 -5.550 3.154 225 1HG GLU 36 1HG GLU 36 7.703 -5.120 2.241 226 2HG GLU 36 2HG GLU 36 7.831 -3.848 3.478 227 H ILE 37 H ILE 37 7.174 -3.177 0.533 228 HA ILE 37 HA ILE 37 8.177 -0.807 1.765 229 HB ILE 37 HB ILE 37 8.569 -1.980 -0.964 230 1HG1 ILE 37 1HG1 ILE 37 10.222 -1.725 1.611 231 2HG1 ILE 37 2HG1 ILE 37 9.394 -3.182 1.066 232 1HG2 ILE 37 1HG2 ILE 37 9.739 0.565 0.271 233 2HG2 ILE 37 2HG2 ILE 37 10.497 -0.277 -1.096 234 3HG2 ILE 37 3HG2 ILE 37 8.894 0.404 -1.283 235 1HD1 ILE 37 1HD1 ILE 37 10.826 -3.199 -0.969 236 2HD1 ILE 37 2HD1 ILE 37 11.767 -1.869 -0.239 237 3HD1 ILE 37 3HD1 ILE 37 11.683 -3.439 0.573 238 H CYS 38 H CYS 38 5.911 -1.190 -1.046 239 HA CYS 38 HA CYS 38 5.646 1.673 -1.401 240 1HB CYS 38 1HB CYS 38 5.175 -0.133 -3.090 241 2HB CYS 38 2HB CYS 38 3.744 -0.592 -2.179 242 H CYS 39 H CYS 39 3.836 -0.772 0.526 243 HA CYS 39 HA CYS 39 1.831 0.936 1.644 244 1HB CYS 39 1HB CYS 39 3.386 -1.201 3.112 245 2HB CYS 39 2HB CYS 39 1.782 -0.610 3.419 246 H ASN 40 H ASN 40 5.218 0.288 2.732 247 HA ASN 40 HA ASN 40 5.192 2.083 4.911 248 1HB ASN 40 1HB ASN 40 7.222 0.567 3.338 249 2HB ASN 40 2HB ASN 40 7.827 2.045 3.997 250 1HD2 ASN 40 1HD2 ASN 40 5.377 -0.240 5.385 251 2HD2 ASN 40 2HD2 ASN 40 6.466 -0.736 6.685 252 H ASP 41 H ASP 41 5.843 2.600 1.461 253 HA ASP 41 HA ASP 41 6.976 5.153 1.800 254 1HB ASP 41 1HB ASP 41 7.613 5.019 -0.178 255 2HB ASP 41 2HB ASP 41 6.906 3.419 -0.310 256 H CYS 42 H CYS 42 3.620 4.174 1.256 257 HA CYS 42 HA CYS 42 2.793 7.024 1.144 258 1HB CYS 42 1HB CYS 42 1.113 4.536 0.743 259 2HB CYS 42 2HB CYS 42 0.698 6.190 0.341 260 H PHE 43 H PHE 43 2.183 4.093 3.144 261 HA PHE 43 HA PHE 43 0.147 5.533 4.735 262 1HB PHE 43 1HB PHE 43 0.915 2.583 4.418 263 2HB PHE 43 2HB PHE 43 -0.205 3.165 5.644 264 HD1 PHE 43 HD1 PHE 43 -2.438 4.104 4.996 265 HD2 PHE 43 HD2 PHE 43 0.293 2.478 2.067 266 HE1 PHE 43 HE1 PHE 43 -4.221 4.112 3.318 267 HE2 PHE 43 HE2 PHE 43 -1.544 2.402 0.407 268 HZ PHE 43 HZ PHE 43 -3.810 3.245 1.021 269 H ASP 44 H ASP 44 0.226 5.438 7.072 270 HA ASP 44 HA ASP 44 2.893 5.650 8.185 271 1HB ASP 44 1HB ASP 44 1.941 6.503 10.017 272 2HB ASP 44 2HB ASP 44 0.453 6.508 9.104 273 H GLU 45 H GLU 45 3.284 4.312 10.240 274 HA GLU 45 HA GLU 45 3.950 1.679 9.328 275 1HB GLU 45 1HB GLU 45 5.108 3.097 11.147 276 2HB GLU 45 2HB GLU 45 3.826 2.497 12.217 277 1HG GLU 45 1HG GLU 45 4.529 0.121 11.407 278 2HG GLU 45 2HG GLU 45 5.952 0.921 10.729 279 H THR 46 H THR 46 1.194 2.948 11.261 280 HA THR 46 HA THR 46 0.242 0.257 11.938 281 HB THR 46 HB THR 46 -0.951 3.039 12.177 282 HG1 THR 46 HG1 THR 46 -0.250 1.155 14.170 283 1HG2 THR 46 1HG2 THR 46 -2.147 0.362 12.985 284 2HG2 THR 46 2HG2 THR 46 -2.715 1.938 13.587 285 3HG2 THR 46 3HG2 THR 46 -2.852 1.549 11.868 286 H GLY 47 H GLY 47 -0.801 2.855 9.673 287 1HA GLY 47 1HA GLY 47 -2.860 1.713 8.259 288 2HA GLY 47 2HA GLY 47 -1.606 2.752 7.557 289 H THR 48 H THR 48 0.639 1.373 7.630 290 HA THR 48 HA THR 48 0.563 -0.311 5.462 291 HB THR 48 HB THR 48 2.537 0.108 7.756 292 HG1 THR 48 HG1 THR 48 2.611 1.758 6.406 293 1HG2 THR 48 1HG2 THR 48 4.221 -1.145 6.789 294 2HG2 THR 48 2HG2 THR 48 2.880 -2.239 6.908 295 3HG2 THR 48 3HG2 THR 48 3.283 -1.516 5.323 296 H GLY 49 H GLY 49 0.169 -1.442 8.913 297 1HA GLY 49 1HA GLY 49 0.855 -4.092 8.307 298 2HA GLY 49 2HA GLY 49 -0.261 -3.613 9.607 299 H ALA 50 H ALA 50 -2.317 -2.509 7.948 300 HA ALA 50 HA ALA 50 -3.815 -4.817 7.097 301 1HB ALA 50 1HB ALA 50 -4.109 -1.835 6.496 302 2HB ALA 50 2HB ALA 50 -5.390 -3.091 6.300 303 3HB ALA 50 3HB ALA 50 -4.803 -2.705 7.911 304 H CYS 51 H CYS 51 -2.009 -2.225 5.366 305 HA CYS 51 HA CYS 51 -2.875 -2.931 2.779 306 1HB CYS 51 1HB CYS 51 -2.067 -0.734 3.669 307 2HB CYS 51 2HB CYS 51 -0.417 -1.369 3.612 308 H ARG 52 H ARG 52 -0.088 -3.796 4.832 309 HA ARG 52 HA ARG 52 1.295 -5.389 2.981 310 1HB ARG 52 1HB ARG 52 1.166 -5.633 6.012 311 2HB ARG 52 2HB ARG 52 2.160 -6.632 4.932 312 1HG ARG 52 1HG ARG 52 3.288 -4.657 4.065 313 2HG ARG 52 2HG ARG 52 2.305 -3.637 5.079 314 1HD ARG 52 1HD ARG 52 4.395 -3.800 6.177 315 2HD ARG 52 2HD ARG 52 3.259 -4.799 7.101 316 HE ARG 52 HE ARG 52 4.905 -6.205 5.070 317 1HH1 ARG 52 2HH2 ARG 52 5.117 -4.772 8.311 318 2HH1 ARG 52 1HH2 ARG 52 6.232 -5.921 8.907 319 1HH2 ARG 52 2HH1 ARG 52 6.574 -7.529 5.806 320 2HH2 ARG 52 1HH1 ARG 52 7.189 -7.406 7.403 321 H ALA 53 H ALA 53 -1.402 -6.241 5.263 322 HA ALA 53 HA ALA 53 -1.406 -9.005 4.608 323 1HB ALA 53 1HB ALA 53 -2.851 -8.082 6.385 324 2HB ALA 53 2HB ALA 53 -3.869 -7.296 5.141 325 3HB ALA 53 3HB ALA 53 -3.754 -9.047 5.197 326 H GLN 54 H GLN 54 -3.132 -6.310 2.951 327 HA GLN 54 HA GLN 54 -4.107 -7.938 0.811 328 1HB GLN 54 1HB GLN 54 -4.888 -5.592 1.618 329 2HB GLN 54 2HB GLN 54 -3.579 -4.989 0.704 330 1HG GLN 54 1HG GLN 54 -5.424 -4.785 -0.730 331 2HG GLN 54 2HG GLN 54 -4.642 -6.217 -1.349 332 1HE2 GLN 54 1HE2 GLN 54 -6.933 -6.593 -2.342 333 2HE2 GLN 54 2HE2 GLN 54 -8.181 -7.136 -1.231 334 H ALA 55 H ALA 55 -0.860 -6.936 1.441 335 HA ALA 55 HA ALA 55 -0.140 -7.419 -1.398 336 1HB ALA 55 1HB ALA 55 1.924 -6.340 -0.963 337 2HB ALA 55 2HB ALA 55 0.655 -5.276 -0.329 338 3HB ALA 55 3HB ALA 55 1.630 -6.266 0.784 339 H PHE 56 H PHE 56 -0.350 -9.019 1.628 340 HA PHE 56 HA PHE 56 2.081 -10.645 1.242 341 1HB PHE 56 1HB PHE 56 1.663 -9.532 3.443 342 2HB PHE 56 2HB PHE 56 0.134 -10.344 3.558 343 HD1 PHE 56 HD1 PHE 56 0.130 -12.019 5.153 344 HD2 PHE 56 HD2 PHE 56 3.625 -11.599 2.622 345 HE1 PHE 56 HE1 PHE 56 1.145 -14.036 6.191 346 HE2 PHE 56 HE2 PHE 56 4.615 -13.568 3.678 347 HZ PHE 56 HZ PHE 56 3.386 -14.814 5.437 348 H GLY 57 H GLY 57 -1.238 -11.191 2.347 349 1HA GLY 57 1HA GLY 57 -1.343 -13.833 0.916 350 2HA GLY 57 2HA GLY 57 -2.192 -13.449 2.420 351 H ASN 58 H ASN 58 -1.810 -11.774 -0.760 352 HA ASN 58 HA ASN 58 -4.722 -12.009 -1.240 353 1HB ASN 58 1HB ASN 58 -4.548 -9.845 -0.159 354 2HB ASN 58 2HB ASN 58 -3.099 -9.501 -1.105 355 1HD2 ASN 58 1HD2 ASN 58 -3.581 -7.860 -2.575 356 2HD2 ASN 58 2HD2 ASN 58 -5.042 -7.850 -3.566 357 H SER 59 H SER 59 -2.508 -9.922 -3.096 358 HA SER 59 HA SER 59 -2.555 -11.997 -5.254 359 1HB SER 59 1HB SER 59 -4.304 -10.038 -5.153 360 2HB SER 59 2HB SER 59 -2.942 -9.062 -5.753 361 HG SER 59 HG SER 59 -4.035 -11.481 -6.821 362 H CYS 60 H CYS 60 -0.478 -9.801 -3.588 363 HA CYS 60 HA CYS 60 1.434 -9.484 -5.824 364 1HB CYS 60 1HB CYS 60 1.011 -7.742 -3.996 365 2HB CYS 60 2HB CYS 60 1.744 -8.895 -2.881 366 H LEU 61 H LEU 61 3.381 -10.778 -5.917 367 HA LEU 61 HA LEU 61 2.994 -13.448 -4.861 368 1HB LEU 61 1HB LEU 61 3.984 -12.876 -7.110 369 2HB LEU 61 2HB LEU 61 5.417 -12.266 -6.304 370 HG LEU 61 HG LEU 61 5.824 -14.465 -7.174 371 1HD1 LEU 61 1HD1 LEU 61 5.514 -14.990 -4.213 372 2HD1 LEU 61 2HD1 LEU 61 6.629 -15.747 -5.355 373 3HD1 LEU 61 3HD1 LEU 61 6.842 -14.047 -4.892 374 1HD2 LEU 61 1HD2 LEU 61 3.512 -15.494 -5.508 375 2HD2 LEU 61 2HD2 LEU 61 3.484 -15.237 -7.267 376 3HD2 LEU 61 3HD2 LEU 61 4.582 -16.454 -6.564 377 H ASN 62 H ASN 62 5.752 -11.177 -4.542 378 HA ASN 62 HA ASN 62 6.127 -12.083 -1.736 379 1HB ASN 62 1HB ASN 62 8.370 -11.662 -1.776 380 2HB ASN 62 2HB ASN 62 8.092 -12.577 -3.231 381 1HD2 ASN 62 1HD2 ASN 62 7.898 -11.116 -5.372 382 2HD2 ASN 62 2HD2 ASN 62 8.904 -9.694 -5.352 383 H TRP 63 H TRP 63 5.409 -10.607 -0.333 384 HA TRP 63 HA TRP 63 4.847 -7.868 -1.000 385 1HB TRP 63 1HB TRP 63 4.667 -7.539 1.406 386 2HB TRP 63 2HB TRP 63 3.715 -8.924 0.866 387 HD1 TRP 63 HD1 TRP 63 6.705 -10.737 1.146 388 HE1 TRP 63 HE1 TRP 63 7.076 -11.766 3.418 389 HE3 TRP 63 HE3 TRP 63 3.381 -7.949 3.741 390 HZ2 TRP 63 HZ2 TRP 63 6.087 -11.375 6.125 391 HZ3 TRP 63 HZ3 TRP 63 3.003 -8.363 6.189 392 HH2 TRP 63 HH2 TRP 63 4.381 -10.070 7.385 Start of MODEL 14 1 1H THR 1 1H THR 1 -8.498 -2.710 10.247 2 HA THR 1 HA THR 1 -7.998 -0.476 10.804 3 HB THR 1 HB THR 1 -5.421 -1.337 10.319 4 HG1 THR 1 HG1 THR 1 -6.113 1.357 10.890 5 1HG2 THR 1 1HG2 THR 1 -4.265 0.204 8.980 6 2HG2 THR 1 2HG2 THR 1 -5.568 -0.386 7.932 7 3HG2 THR 1 3HG2 THR 1 -5.695 1.211 8.699 8 H ASP 2 H ASP 2 -7.886 1.535 8.882 9 HA ASP 2 HA ASP 2 -8.551 0.336 6.286 10 1HB ASP 2 1HB ASP 2 -10.172 2.393 7.757 11 2HB ASP 2 2HB ASP 2 -10.262 2.236 6.016 12 HA PRO 3 HA PRO 3 -5.381 3.315 5.266 13 1HB PRO 3 1HB PRO 3 -5.653 3.499 2.565 14 2HB PRO 3 2HB PRO 3 -5.293 1.941 3.338 15 1HG PRO 3 1HG PRO 3 -8.000 2.983 2.451 16 2HG PRO 3 2HG PRO 3 -7.249 1.390 2.096 17 1HD PRO 3 1HD PRO 3 -9.024 1.795 4.205 18 2HD PRO 3 2HD PRO 3 -7.716 0.595 4.247 19 H GLU 4 H GLU 4 -8.463 4.131 5.552 20 HA GLU 4 HA GLU 4 -8.538 6.786 4.359 21 1HB GLU 4 1HB GLU 4 -10.611 5.555 4.973 22 2HB GLU 4 2HB GLU 4 -10.067 5.447 6.671 23 1HG GLU 4 1HG GLU 4 -10.297 7.840 6.975 24 2HG GLU 4 2HG GLU 4 -10.404 8.120 5.233 25 H GLU 5 H GLU 5 -8.439 5.741 7.949 26 HA GLU 5 HA GLU 5 -7.664 8.242 8.783 27 1HB GLU 5 1HB GLU 5 -9.347 6.877 9.806 28 2HB GLU 5 2HB GLU 5 -8.221 5.514 9.976 29 1HG GLU 5 1HG GLU 5 -6.932 6.537 11.541 30 2HG GLU 5 2HG GLU 5 -7.583 8.151 11.142 31 H HIS 6 H HIS 6 -5.902 5.793 7.434 32 HA HIS 6 HA HIS 6 -3.379 6.666 8.715 33 1HB HIS 6 1HB HIS 6 -4.040 3.828 7.828 34 2HB HIS 6 2HB HIS 6 -2.531 4.408 8.532 35 HD1 HIS 6 HD1 HIS 6 -2.597 4.678 11.294 36 HD2 HIS 6 HD2 HIS 6 -6.295 3.945 9.375 37 HE1 HIS 6 HE1 HIS 6 -4.213 4.025 13.115 38 H PHE 7 H PHE 7 -3.041 8.086 7.089 39 HA PHE 7 HA PHE 7 -2.081 6.951 4.584 40 1HB PHE 7 1HB PHE 7 -4.350 7.984 4.175 41 2HB PHE 7 2HB PHE 7 -3.717 9.513 4.770 42 HD1 PHE 7 HD1 PHE 7 -0.916 8.344 2.990 43 HD2 PHE 7 HD2 PHE 7 -4.994 9.641 2.300 44 HE1 PHE 7 HE1 PHE 7 -0.350 8.890 0.721 45 HE2 PHE 7 HE2 PHE 7 -4.383 10.214 -0.025 46 HZ PHE 7 HZ PHE 7 -2.054 9.788 -0.822 47 H ASP 8 H ASP 8 0.159 7.503 4.778 48 HA ASP 8 HA ASP 8 0.888 10.061 5.908 49 1HB ASP 8 1HB ASP 8 0.673 8.569 7.948 50 2HB ASP 8 2HB ASP 8 2.080 7.682 7.394 51 HA PRO 9 HA PRO 9 3.383 8.326 2.483 52 1HB PRO 9 1HB PRO 9 3.384 10.626 0.898 53 2HB PRO 9 2HB PRO 9 2.233 9.290 0.780 54 1HG PRO 9 1HG PRO 9 1.902 11.998 1.993 55 2HG PRO 9 2HG PRO 9 0.643 10.936 1.347 56 1HD PRO 9 1HD PRO 9 1.342 11.396 4.071 57 2HD PRO 9 2HD PRO 9 0.243 10.143 3.475 58 H ASN 10 H ASN 10 5.505 8.294 2.728 59 HA ASN 10 HA ASN 10 6.931 10.677 3.728 60 1HB ASN 10 1HB ASN 10 8.876 9.484 3.832 61 2HB ASN 10 2HB ASN 10 7.664 8.382 4.373 62 1HD2 ASN 10 1HD2 ASN 10 8.990 6.566 3.984 63 2HD2 ASN 10 2HD2 ASN 10 9.324 5.987 2.360 64 H THR 11 H THR 11 8.961 11.107 2.214 65 HA THR 11 HA THR 11 7.553 12.337 -0.069 66 HB THR 11 HB THR 11 9.415 13.879 -0.183 67 HG1 THR 11 HG1 THR 11 10.519 12.279 1.907 68 1HG2 THR 11 1HG2 THR 11 8.902 15.020 1.910 69 2HG2 THR 11 2HG2 THR 11 7.446 14.265 1.270 70 3HG2 THR 11 3HG2 THR 11 8.315 13.519 2.631 71 H ASN 12 H ASN 12 8.061 9.603 -0.275 72 HA ASN 12 HA ASN 12 9.458 9.520 -2.890 73 1HB ASN 12 1HB ASN 12 10.435 8.294 -0.742 74 2HB ASN 12 2HB ASN 12 9.207 7.092 -1.137 75 1HD2 ASN 12 1HD2 ASN 12 9.322 6.449 -3.658 76 2HD2 ASN 12 2HD2 ASN 12 10.974 6.080 -4.135 77 H CYS 13 H CYS 13 6.442 9.280 -1.134 78 HA CYS 13 HA CYS 13 5.058 7.531 -2.932 79 1HB CYS 13 1HB CYS 13 4.330 8.025 -0.641 80 2HB CYS 13 2HB CYS 13 4.247 9.746 -1.022 81 H ASP 14 H ASP 14 3.568 8.208 -4.573 82 HA ASP 14 HA ASP 14 3.905 10.985 -5.680 83 1HB ASP 14 1HB ASP 14 4.888 8.876 -6.958 84 2HB ASP 14 2HB ASP 14 3.206 8.540 -7.307 85 H TYR 15 H TYR 15 1.562 8.628 -4.537 86 HA TYR 15 HA TYR 15 -0.602 9.890 -6.154 87 1HB TYR 15 1HB TYR 15 -0.494 7.168 -4.889 88 2HB TYR 15 2HB TYR 15 -1.942 7.905 -5.523 89 HD1 TYR 15 HD1 TYR 15 -1.993 5.698 -6.735 90 HD2 TYR 15 HD2 TYR 15 0.865 8.788 -7.680 91 HE1 TYR 15 HE1 TYR 15 -1.620 4.707 -8.987 92 HE2 TYR 15 HE2 TYR 15 1.332 7.786 -9.803 93 HH TYR 15 HH TYR 15 -0.266 4.762 -10.931 94 H THR 16 H THR 16 -2.025 11.124 -5.155 95 HA THR 16 HA THR 16 -1.935 11.258 -2.203 96 HB THR 16 HB THR 16 -2.478 13.523 -2.350 97 HG1 THR 16 HG1 THR 16 -3.864 13.355 -4.056 98 1HG2 THR 16 1HG2 THR 16 -0.078 12.908 -2.761 99 2HG2 THR 16 2HG2 THR 16 -0.366 13.016 -4.512 100 3HG2 THR 16 3HG2 THR 16 -0.530 14.450 -3.482 101 H ASN 17 H ASN 17 -3.436 9.203 -3.260 102 HA ASN 17 HA ASN 17 -6.056 9.964 -2.223 103 1HB ASN 17 1HB ASN 17 -6.350 8.238 -4.618 104 2HB ASN 17 2HB ASN 17 -7.491 9.322 -3.874 105 1HD2 ASN 17 1HD2 ASN 17 -4.444 9.343 -5.641 106 2HD2 ASN 17 2HD2 ASN 17 -4.808 10.693 -6.726 107 H SER 18 H SER 18 -6.748 8.356 -0.916 108 HA SER 18 HA SER 18 -5.058 6.357 -0.060 109 1HB SER 18 1HB SER 18 -7.096 5.564 1.256 110 2HB SER 18 2HB SER 18 -6.699 7.266 1.424 111 HG SER 18 HG SER 18 -8.774 7.335 1.032 112 H GLN 19 H GLN 19 -8.066 5.767 -1.959 113 HA GLN 19 HA GLN 19 -7.639 2.979 -2.209 114 1HB GLN 19 1HB GLN 19 -9.818 4.119 -2.520 115 2HB GLN 19 2HB GLN 19 -9.236 4.834 -4.005 116 1HG GLN 19 1HG GLN 19 -10.519 3.091 -4.781 117 2HG GLN 19 2HG GLN 19 -8.921 2.371 -4.850 118 1HE2 GLN 19 1HE2 GLN 19 -8.700 0.311 -3.785 119 2HE2 GLN 19 2HE2 GLN 19 -9.860 -0.282 -2.644 120 H ASP 20 H ASP 20 -6.729 5.617 -4.515 121 HA ASP 20 HA ASP 20 -5.743 3.904 -6.648 122 1HB ASP 20 1HB ASP 20 -5.078 6.761 -5.771 123 2HB ASP 20 2HB ASP 20 -4.402 6.007 -7.175 124 H ALA 21 H ALA 21 -4.076 5.488 -3.891 125 HA ALA 21 HA ALA 21 -1.532 4.321 -4.495 126 1HB ALA 21 1HB ALA 21 -1.016 4.843 -2.155 127 2HB ALA 21 2HB ALA 21 -1.816 6.191 -3.020 128 3HB ALA 21 3HB ALA 21 -2.740 5.194 -1.863 129 H TRP 22 H TRP 22 -4.001 3.281 -2.071 130 HA TRP 22 HA TRP 22 -2.837 0.980 -1.124 131 1HB TRP 22 1HB TRP 22 -4.889 1.888 -0.205 132 2HB TRP 22 2HB TRP 22 -5.759 1.592 -1.703 133 HD1 TRP 22 HD1 TRP 22 -6.573 -0.882 -2.217 134 HE1 TRP 22 HE1 TRP 22 -7.122 -2.852 -0.696 135 HE3 TRP 22 HE3 TRP 22 -4.034 0.621 1.972 136 HZ2 TRP 22 HZ2 TRP 22 -6.506 -3.670 2.119 137 HZ3 TRP 22 HZ3 TRP 22 -4.106 -0.682 4.032 138 HH2 TRP 22 HH2 TRP 22 -5.203 -2.885 4.067 139 H ASP 23 H ASP 23 -5.080 1.145 -3.990 140 HA ASP 23 HA ASP 23 -5.058 -1.560 -4.618 141 1HB ASP 23 1HB ASP 23 -5.291 0.877 -6.434 142 2HB ASP 23 2HB ASP 23 -5.458 -0.745 -7.014 143 H TYR 24 H TYR 24 -2.865 0.985 -5.857 144 HA TYR 24 HA TYR 24 -1.347 -0.754 -7.560 145 1HB TYR 24 1HB TYR 24 -0.975 1.993 -6.378 146 2HB TYR 24 2HB TYR 24 0.324 1.223 -7.257 147 HD1 TYR 24 HD1 TYR 24 0.560 1.749 -9.476 148 HD2 TYR 24 HD2 TYR 24 -3.451 1.931 -7.834 149 HE1 TYR 24 HE1 TYR 24 -0.300 2.638 -11.612 150 HE2 TYR 24 HE2 TYR 24 -4.251 2.851 -9.916 151 HH TYR 24 HH TYR 24 -3.029 4.358 -11.926 152 H CYS 25 H CYS 25 -0.721 0.523 -4.261 153 HA CYS 25 HA CYS 25 1.734 -0.717 -3.720 154 1HB CYS 25 1HB CYS 25 -0.566 -0.210 -1.786 155 2HB CYS 25 2HB CYS 25 1.101 -0.540 -1.346 156 H THR 26 H THR 26 -1.547 -2.014 -3.324 157 HA THR 26 HA THR 26 -0.690 -4.502 -2.014 158 HB THR 26 HB THR 26 -2.938 -4.891 -1.696 159 HG1 THR 26 HG1 THR 26 -3.516 -2.421 -2.952 160 1HG2 THR 26 1HG2 THR 26 -1.817 -3.494 -0.101 161 2HG2 THR 26 2HG2 THR 26 -2.129 -2.039 -1.003 162 3HG2 THR 26 3HG2 THR 26 -3.484 -2.907 -0.307 163 H ASN 27 H ASN 27 -0.528 -3.539 -5.162 164 HA ASN 27 HA ASN 27 -0.248 -4.551 -7.105 165 1HB ASN 27 1HB ASN 27 1.127 -6.063 -5.608 166 2HB ASN 27 2HB ASN 27 -0.233 -7.183 -5.585 167 1HD2 ASN 27 1HD2 ASN 27 -0.927 -7.745 -8.044 168 2HD2 ASN 27 2HD2 ASN 27 0.439 -8.449 -8.897 169 H TYR 28 H TYR 28 -2.955 -4.154 -5.820 170 HA TYR 28 HA TYR 28 -4.853 -5.843 -7.222 171 1HB TYR 28 1HB TYR 28 -5.211 -4.126 -5.264 172 2HB TYR 28 2HB TYR 28 -5.054 -2.909 -6.530 173 HD1 TYR 28 HD1 TYR 28 -6.820 -2.261 -7.924 174 HD2 TYR 28 HD2 TYR 28 -7.262 -5.563 -5.193 175 HE1 TYR 28 HE1 TYR 28 -9.163 -2.319 -8.424 176 HE2 TYR 28 HE2 TYR 28 -9.654 -5.646 -5.658 177 HH TYR 28 HH TYR 28 -11.169 -3.371 -8.050 178 H ILE 29 H ILE 29 -2.857 -2.956 -7.842 179 HA ILE 29 HA ILE 29 -3.389 -3.238 -10.765 180 HB ILE 29 HB ILE 29 -2.880 -0.719 -9.186 181 1HG1 ILE 29 1HG1 ILE 29 -5.161 -1.674 -9.039 182 2HG1 ILE 29 2HG1 ILE 29 -5.137 -0.104 -9.740 183 1HG2 ILE 29 1HG2 ILE 29 -3.309 0.356 -11.473 184 2HG2 ILE 29 2HG2 ILE 29 -1.728 -0.413 -11.249 185 3HG2 ILE 29 3HG2 ILE 29 -3.003 -1.236 -12.176 186 1HD1 ILE 29 1HD1 ILE 29 -6.722 -1.651 -10.847 187 2HD1 ILE 29 2HD1 ILE 29 -5.501 -1.065 -11.990 188 3HD1 ILE 29 3HD1 ILE 29 -5.398 -2.712 -11.322 189 H VAL 30 H VAL 30 -1.815 -4.266 -11.637 190 HA VAL 30 HA VAL 30 0.727 -4.676 -10.485 191 HB VAL 30 HB VAL 30 -0.537 -5.276 -13.133 192 1HG1 VAL 30 1HG1 VAL 30 1.450 -6.604 -13.781 193 2HG1 VAL 30 2HG1 VAL 30 1.810 -4.879 -13.760 194 3HG1 VAL 30 3HG1 VAL 30 2.360 -5.911 -12.421 195 1HG2 VAL 30 1HG2 VAL 30 -1.058 -6.581 -11.080 196 2HG2 VAL 30 2HG2 VAL 30 -0.163 -7.569 -12.251 197 3HG2 VAL 30 3HG2 VAL 30 0.681 -6.863 -10.842 198 H ASN 31 H ASN 31 2.321 -3.442 -10.276 199 HA ASN 31 HA ASN 31 3.216 -1.557 -12.334 200 1HB ASN 31 1HB ASN 31 2.969 0.445 -11.164 201 2HB ASN 31 2HB ASN 31 1.380 -0.305 -11.050 202 1HD2 ASN 31 1HD2 ASN 31 0.916 -1.472 -8.929 203 2HD2 ASN 31 2HD2 ASN 31 1.738 -0.978 -7.454 204 H SER 32 H SER 32 4.164 -3.806 -10.115 205 HA SER 32 HA SER 32 5.817 -4.145 -8.657 206 1HB SER 32 1HB SER 32 7.397 -2.295 -10.456 207 2HB SER 32 2HB SER 32 8.063 -3.445 -9.286 208 HG SER 32 HG SER 32 7.095 -3.855 -11.777 209 H SER 33 H SER 33 7.877 -2.523 -7.494 210 HA SER 33 HA SER 33 8.305 -1.551 -5.675 211 1HB SER 33 1HB SER 33 6.084 0.341 -6.390 212 2HB SER 33 2HB SER 33 7.404 0.603 -5.219 213 HG SER 33 HG SER 33 7.993 1.591 -7.105 214 H CYS 34 H CYS 34 5.298 -2.782 -6.195 215 HA CYS 34 HA CYS 34 3.851 -2.460 -3.786 216 1HB CYS 34 1HB CYS 34 2.640 -4.495 -4.652 217 2HB CYS 34 2HB CYS 34 2.733 -3.122 -5.767 218 H GLY 35 H GLY 35 3.559 -4.007 -2.091 219 1HA GLY 35 1HA GLY 35 4.333 -6.084 -0.974 220 2HA GLY 35 2HA GLY 35 5.981 -5.602 -1.456 221 H GLU 36 H GLU 36 6.306 -5.541 0.967 222 HA GLU 36 HA GLU 36 4.742 -3.863 2.660 223 1HB GLU 36 1HB GLU 36 6.357 -4.179 4.318 224 2HB GLU 36 2HB GLU 36 6.119 -5.677 3.406 225 1HG GLU 36 1HG GLU 36 8.245 -5.194 2.145 226 2HG GLU 36 2HG GLU 36 8.471 -3.764 3.162 227 H ILE 37 H ILE 37 7.555 -3.154 0.699 228 HA ILE 37 HA ILE 37 8.407 -0.687 1.605 229 HB ILE 37 HB ILE 37 8.452 -1.954 -1.144 230 1HG1 ILE 37 1HG1 ILE 37 10.394 -1.588 1.191 231 2HG1 ILE 37 2HG1 ILE 37 9.621 -3.092 0.699 232 1HG2 ILE 37 1HG2 ILE 37 10.212 -0.214 -1.713 233 2HG2 ILE 37 2HG2 ILE 37 8.602 0.446 -1.591 234 3HG2 ILE 37 3HG2 ILE 37 9.716 0.671 -0.249 235 1HD1 ILE 37 1HD1 ILE 37 11.888 -3.118 -0.039 236 2HD1 ILE 37 2HD1 ILE 37 10.812 -2.995 -1.453 237 3HD1 ILE 37 3HD1 ILE 37 11.696 -1.567 -0.869 238 H CYS 38 H CYS 38 6.189 -0.980 -1.280 239 HA CYS 38 HA CYS 38 5.868 1.798 -1.449 240 1HB CYS 38 1HB CYS 38 5.266 0.035 -3.155 241 2HB CYS 38 2HB CYS 38 3.756 -0.236 -2.302 242 H CYS 39 H CYS 39 4.119 -0.549 0.529 243 HA CYS 39 HA CYS 39 2.097 1.244 1.515 244 1HB CYS 39 1HB CYS 39 3.321 -1.262 2.719 245 2HB CYS 39 2HB CYS 39 1.835 -0.471 3.230 246 H ASN 40 H ASN 40 5.300 0.207 2.848 247 HA ASN 40 HA ASN 40 5.336 1.839 5.143 248 1HB ASN 40 1HB ASN 40 7.325 0.414 3.392 249 2HB ASN 40 2HB ASN 40 7.977 1.705 4.321 250 1HD2 ASN 40 1HD2 ASN 40 5.304 -0.542 5.243 251 2HD2 ASN 40 2HD2 ASN 40 6.244 -1.359 6.488 252 H ASP 41 H ASP 41 5.984 2.662 1.766 253 HA ASP 41 HA ASP 41 7.007 5.292 2.535 254 1HB ASP 41 1HB ASP 41 6.951 3.650 0.017 255 2HB ASP 41 2HB ASP 41 7.175 5.390 -0.116 256 H CYS 42 H CYS 42 3.892 4.096 1.781 257 HA CYS 42 HA CYS 42 2.906 6.848 1.129 258 1HB CYS 42 1HB CYS 42 1.639 4.151 0.617 259 2HB CYS 42 2HB CYS 42 0.930 5.725 0.262 260 H PHE 43 H PHE 43 2.868 4.356 3.565 261 HA PHE 43 HA PHE 43 0.600 5.592 5.008 262 1HB PHE 43 1HB PHE 43 1.147 2.636 4.401 263 2HB PHE 43 2HB PHE 43 -0.009 3.211 5.586 264 HD1 PHE 43 HD1 PHE 43 -1.865 4.741 4.809 265 HD2 PHE 43 HD2 PHE 43 0.405 2.331 2.076 266 HE1 PHE 43 HE1 PHE 43 -3.668 4.971 3.102 267 HE2 PHE 43 HE2 PHE 43 -1.387 2.507 0.407 268 HZ PHE 43 HZ PHE 43 -3.431 3.831 0.901 269 H ASP 44 H ASP 44 0.763 5.334 7.293 270 HA ASP 44 HA ASP 44 3.349 5.177 8.547 271 1HB ASP 44 1HB ASP 44 0.495 4.739 9.555 272 2HB ASP 44 2HB ASP 44 1.901 4.615 10.579 273 H GLU 45 H GLU 45 3.794 3.352 10.204 274 HA GLU 45 HA GLU 45 3.838 0.705 9.313 275 1HB GLU 45 1HB GLU 45 3.490 1.808 12.076 276 2HB GLU 45 2HB GLU 45 3.971 0.156 11.708 277 1HG GLU 45 1HG GLU 45 6.077 0.924 10.772 278 2HG GLU 45 2HG GLU 45 5.604 2.624 11.030 279 H THR 46 H THR 46 1.308 2.386 11.306 280 HA THR 46 HA THR 46 -0.206 0.067 11.765 281 HB THR 46 HB THR 46 -1.051 2.987 11.814 282 HG1 THR 46 HG1 THR 46 0.164 1.335 13.792 283 1HG2 THR 46 1HG2 THR 46 -2.090 0.585 13.374 284 2HG2 THR 46 2HG2 THR 46 -2.555 2.284 13.636 285 3HG2 THR 46 3HG2 THR 46 -2.969 1.484 12.116 286 H GLY 47 H GLY 47 -0.628 2.656 9.287 287 1HA GLY 47 1HA GLY 47 -2.930 1.589 7.955 288 2HA GLY 47 2HA GLY 47 -1.677 2.613 7.249 289 H THR 48 H THR 48 0.601 1.299 7.407 290 HA THR 48 HA THR 48 0.655 -0.523 5.360 291 HB THR 48 HB THR 48 2.540 0.097 7.647 292 HG1 THR 48 HG1 THR 48 2.700 1.574 6.167 293 1HG2 THR 48 1HG2 THR 48 3.447 -1.765 5.491 294 2HG2 THR 48 2HG2 THR 48 4.212 -1.269 7.039 295 3HG2 THR 48 3HG2 THR 48 2.873 -2.345 7.084 296 H GLY 49 H GLY 49 0.435 -1.426 8.903 297 1HA GLY 49 1HA GLY 49 0.937 -4.076 8.478 298 2HA GLY 49 2HA GLY 49 -0.164 -3.516 9.762 299 H ALA 50 H ALA 50 -2.162 -2.464 7.965 300 HA ALA 50 HA ALA 50 -3.709 -4.806 7.219 301 1HB ALA 50 1HB ALA 50 -4.790 -2.724 7.969 302 2HB ALA 50 2HB ALA 50 -4.010 -1.816 6.643 303 3HB ALA 50 3HB ALA 50 -5.220 -3.046 6.266 304 H CYS 51 H CYS 51 -1.920 -2.265 5.442 305 HA CYS 51 HA CYS 51 -2.746 -2.979 2.845 306 1HB CYS 51 1HB CYS 51 -1.841 -0.820 3.920 307 2HB CYS 51 2HB CYS 51 -0.244 -1.474 3.531 308 H ARG 52 H ARG 52 -0.151 -4.043 5.037 309 HA ARG 52 HA ARG 52 1.366 -5.533 3.175 310 1HB ARG 52 1HB ARG 52 1.243 -5.809 6.180 311 2HB ARG 52 2HB ARG 52 2.239 -6.768 5.054 312 1HG ARG 52 1HG ARG 52 3.359 -4.733 4.244 313 2HG ARG 52 2HG ARG 52 2.341 -3.784 5.296 314 1HD ARG 52 1HD ARG 52 4.436 -3.882 6.384 315 2HD ARG 52 2HD ARG 52 3.389 -5.002 7.264 316 HE ARG 52 HE ARG 52 5.151 -6.087 5.123 317 1HH1 ARG 52 2HH2 ARG 52 4.972 -5.442 8.629 318 2HH1 ARG 52 1HH2 ARG 52 5.807 -6.928 9.022 319 1HH2 ARG 52 2HH1 ARG 52 6.948 -7.425 5.811 320 2HH2 ARG 52 1HH1 ARG 52 6.704 -8.222 7.369 321 H ALA 53 H ALA 53 -1.247 -6.554 5.446 322 HA ALA 53 HA ALA 53 -1.352 -9.234 4.543 323 1HB ALA 53 1HB ALA 53 -3.770 -9.215 4.962 324 2HB ALA 53 2HB ALA 53 -2.870 -8.471 6.312 325 3HB ALA 53 3HB ALA 53 -3.758 -7.464 5.134 326 H GLN 54 H GLN 54 -2.895 -6.355 3.066 327 HA GLN 54 HA GLN 54 -3.895 -7.776 0.820 328 1HB GLN 54 1HB GLN 54 -4.532 -5.426 1.838 329 2HB GLN 54 2HB GLN 54 -3.290 -4.836 0.804 330 1HG GLN 54 1HG GLN 54 -5.353 -4.637 -0.410 331 2HG GLN 54 2HG GLN 54 -4.537 -6.008 -1.134 332 1HE2 GLN 54 1HE2 GLN 54 -7.251 -6.044 -1.617 333 2HE2 GLN 54 2HE2 GLN 54 -8.012 -7.194 -0.512 334 H ALA 55 H ALA 55 -0.579 -6.867 1.369 335 HA ALA 55 HA ALA 55 -0.068 -7.378 -1.517 336 1HB ALA 55 1HB ALA 55 1.946 -6.175 -1.362 337 2HB ALA 55 2HB ALA 55 0.768 -5.160 -0.496 338 3HB ALA 55 3HB ALA 55 1.922 -6.191 0.398 339 H PHE 56 H PHE 56 -0.306 -9.029 1.308 340 HA PHE 56 HA PHE 56 2.218 -10.579 1.073 341 1HB PHE 56 1HB PHE 56 1.653 -9.486 3.266 342 2HB PHE 56 2HB PHE 56 0.172 -10.394 3.311 343 HD1 PHE 56 HD1 PHE 56 0.289 -11.987 5.001 344 HD2 PHE 56 HD2 PHE 56 3.691 -11.509 2.361 345 HE1 PHE 56 HE1 PHE 56 1.476 -13.809 6.147 346 HE2 PHE 56 HE2 PHE 56 4.838 -13.338 3.504 347 HZ PHE 56 HZ PHE 56 3.746 -14.511 5.389 348 H GLY 57 H GLY 57 -1.207 -10.861 1.729 349 1HA GLY 57 1HA GLY 57 -1.353 -13.663 0.657 350 2HA GLY 57 2HA GLY 57 -2.203 -13.106 2.107 351 H ASN 58 H ASN 58 -1.880 -11.407 -1.008 352 HA ASN 58 HA ASN 58 -4.812 -11.719 -1.525 353 1HB ASN 58 1HB ASN 58 -4.683 -9.618 -0.368 354 2HB ASN 58 2HB ASN 58 -3.201 -9.230 -1.234 355 1HD2 ASN 58 1HD2 ASN 58 -3.651 -7.441 -2.612 356 2HD2 ASN 58 2HD2 ASN 58 -5.019 -7.487 -3.726 357 H SER 59 H SER 59 -2.476 -9.614 -3.176 358 HA SER 59 HA SER 59 -2.594 -11.384 -5.574 359 1HB SER 59 1HB SER 59 -2.334 -8.384 -5.183 360 2HB SER 59 2HB SER 59 -2.077 -9.174 -6.724 361 HG SER 59 HG SER 59 -4.302 -10.179 -6.114 362 H CYS 60 H CYS 60 -0.408 -8.912 -4.175 363 HA CYS 60 HA CYS 60 1.796 -9.447 -5.738 364 1HB CYS 60 1HB CYS 60 1.176 -7.618 -3.963 365 2HB CYS 60 2HB CYS 60 2.109 -8.640 -2.865 366 H LEU 61 H LEU 61 3.397 -10.999 -5.777 367 HA LEU 61 HA LEU 61 2.597 -13.476 -4.581 368 1HB LEU 61 1HB LEU 61 4.411 -12.607 -6.713 369 2HB LEU 61 2HB LEU 61 5.262 -13.721 -5.666 370 HG LEU 61 HG LEU 61 4.258 -14.935 -7.465 371 1HD1 LEU 61 1HD1 LEU 61 4.323 -16.059 -5.255 372 2HD1 LEU 61 2HD1 LEU 61 2.648 -15.547 -4.944 373 3HD1 LEU 61 3HD1 LEU 61 2.991 -16.635 -6.284 374 1HD2 LEU 61 1HD2 LEU 61 1.532 -13.906 -6.571 375 2HD2 LEU 61 2HD2 LEU 61 2.435 -13.345 -7.989 376 3HD2 LEU 61 3HD2 LEU 61 1.874 -15.026 -7.896 377 H ASN 62 H ASN 62 5.156 -11.183 -3.966 378 HA ASN 62 HA ASN 62 5.417 -12.230 -1.258 379 1HB ASN 62 1HB ASN 62 7.887 -11.575 -1.325 380 2HB ASN 62 2HB ASN 62 7.415 -13.148 -1.967 381 1HD2 ASN 62 1HD2 ASN 62 8.744 -13.637 -3.693 382 2HD2 ASN 62 2HD2 ASN 62 9.295 -12.442 -4.870 383 H TRP 63 H TRP 63 5.330 -10.680 0.196 384 HA TRP 63 HA TRP 63 4.990 -7.902 -0.541 385 1HB TRP 63 1HB TRP 63 4.920 -7.530 1.872 386 2HB TRP 63 2HB TRP 63 3.791 -8.762 1.383 387 HD1 TRP 63 HD1 TRP 63 6.843 -10.664 1.656 388 HE1 TRP 63 HE1 TRP 63 7.180 -11.708 3.961 389 HE3 TRP 63 HE3 TRP 63 3.240 -8.214 4.028 390 HZ2 TRP 63 HZ2 TRP 63 6.016 -11.408 6.636 391 HZ3 TRP 63 HZ3 TRP 63 2.810 -8.518 6.527 392 HH2 TRP 63 HH2 TRP 63 4.198 -10.140 7.798 Start of MODEL 15 1 1H THR 1 1H THR 1 -8.565 -1.009 10.864 2 HA THR 1 HA THR 1 -7.851 1.500 12.163 3 HB THR 1 HB THR 1 -5.896 -0.378 11.675 4 HG1 THR 1 HG1 THR 1 -5.510 2.424 11.841 5 1HG2 THR 1 1HG2 THR 1 -4.323 0.784 10.122 6 2HG2 THR 1 2HG2 THR 1 -5.676 0.042 9.248 7 3HG2 THR 1 3HG2 THR 1 -5.652 1.783 9.529 8 H ASP 2 H ASP 2 -7.763 -0.179 8.975 9 HA ASP 2 HA ASP 2 -8.631 0.191 6.980 10 1HB ASP 2 1HB ASP 2 -10.657 1.121 8.348 11 2HB ASP 2 2HB ASP 2 -10.006 2.704 7.864 12 HA PRO 3 HA PRO 3 -5.556 3.158 5.574 13 1HB PRO 3 1HB PRO 3 -6.014 3.300 2.878 14 2HB PRO 3 2HB PRO 3 -5.303 1.876 3.699 15 1HG PRO 3 1HG PRO 3 -8.159 2.339 2.828 16 2HG PRO 3 2HG PRO 3 -7.165 0.866 2.613 17 1HD PRO 3 1HD PRO 3 -8.963 1.168 4.621 18 2HD PRO 3 2HD PRO 3 -7.481 0.219 4.842 19 H GLU 4 H GLU 4 -8.865 3.750 5.474 20 HA GLU 4 HA GLU 4 -9.270 6.255 4.351 21 1HB GLU 4 1HB GLU 4 -11.046 4.900 5.383 22 2HB GLU 4 2HB GLU 4 -10.272 5.035 6.964 23 1HG GLU 4 1HG GLU 4 -10.774 7.604 6.707 24 2HG GLU 4 2HG GLU 4 -11.893 7.086 5.437 25 H GLU 5 H GLU 5 -7.988 5.548 7.636 26 HA GLU 5 HA GLU 5 -7.696 8.441 8.115 27 1HB GLU 5 1HB GLU 5 -8.212 8.087 10.299 28 2HB GLU 5 2HB GLU 5 -9.251 6.940 9.442 29 1HG GLU 5 1HG GLU 5 -7.954 5.080 10.112 30 2HG GLU 5 2HG GLU 5 -6.687 6.152 10.781 31 H HIS 6 H HIS 6 -5.674 6.538 6.752 32 HA HIS 6 HA HIS 6 -3.345 6.934 8.549 33 1HB HIS 6 1HB HIS 6 -4.396 4.427 7.194 34 2HB HIS 6 2HB HIS 6 -2.686 4.647 7.567 35 HD1 HIS 6 HD1 HIS 6 -1.963 4.743 10.109 36 HD2 HIS 6 HD2 HIS 6 -6.113 4.373 9.383 37 HE1 HIS 6 HE1 HIS 6 -3.055 4.260 12.372 38 H PHE 7 H PHE 7 -1.972 8.143 7.546 39 HA PHE 7 HA PHE 7 -1.141 7.635 4.833 40 1HB PHE 7 1HB PHE 7 -3.009 9.857 5.408 41 2HB PHE 7 2HB PHE 7 -1.475 10.456 4.813 42 HD1 PHE 7 HD1 PHE 7 -4.645 9.436 3.714 43 HD2 PHE 7 HD2 PHE 7 -0.458 8.936 2.790 44 HE1 PHE 7 HE1 PHE 7 -5.207 8.942 1.347 45 HE2 PHE 7 HE2 PHE 7 -1.018 8.461 0.439 46 HZ PHE 7 HZ PHE 7 -3.384 8.400 -0.274 47 H ASP 8 H ASP 8 1.050 7.914 4.838 48 HA ASP 8 HA ASP 8 2.141 10.303 5.975 49 1HB ASP 8 1HB ASP 8 2.330 8.752 7.930 50 2HB ASP 8 2HB ASP 8 3.336 7.681 6.967 51 HA PRO 9 HA PRO 9 3.612 8.566 1.976 52 1HB PRO 9 1HB PRO 9 3.326 11.116 0.651 53 2HB PRO 9 2HB PRO 9 2.436 9.616 0.344 54 1HG PRO 9 1HG PRO 9 1.414 11.985 1.558 55 2HG PRO 9 2HG PRO 9 0.623 10.399 1.492 56 1HD PRO 9 1HD PRO 9 2.112 11.674 3.754 57 2HD PRO 9 2HD PRO 9 0.813 10.459 3.809 58 H ASN 10 H ASN 10 5.658 8.408 2.238 59 HA ASN 10 HA ASN 10 7.525 10.435 3.107 60 1HB ASN 10 1HB ASN 10 8.163 8.243 1.088 61 2HB ASN 10 2HB ASN 10 9.272 9.039 2.131 62 1HD2 ASN 10 1HD2 ASN 10 6.640 6.967 2.224 63 2HD2 ASN 10 2HD2 ASN 10 7.090 5.978 3.567 64 H THR 11 H THR 11 9.252 11.219 1.463 65 HA THR 11 HA THR 11 7.968 12.881 -0.513 66 HB THR 11 HB THR 11 10.344 13.521 -0.923 67 HG1 THR 11 HG1 THR 11 11.883 12.583 0.373 68 1HG2 THR 11 1HG2 THR 11 8.860 14.635 0.815 69 2HG2 THR 11 2HG2 THR 11 9.555 13.555 2.037 70 3HG2 THR 11 3HG2 THR 11 10.589 14.712 1.169 71 H ASN 12 H ASN 12 9.110 9.637 -0.591 72 HA ASN 12 HA ASN 12 9.722 9.572 -3.446 73 1HB ASN 12 1HB ASN 12 9.112 7.282 -1.525 74 2HB ASN 12 2HB ASN 12 9.664 7.121 -3.187 75 1HD2 ASN 12 1HD2 ASN 12 10.783 6.911 -0.113 76 2HD2 ASN 12 2HD2 ASN 12 12.438 7.385 -0.362 77 H CYS 13 H CYS 13 6.648 9.337 -1.513 78 HA CYS 13 HA CYS 13 5.336 8.046 -3.735 79 1HB CYS 13 1HB CYS 13 4.905 8.413 -0.880 80 2HB CYS 13 2HB CYS 13 3.495 8.890 -1.802 81 H ASP 14 H ASP 14 3.683 8.869 -4.905 82 HA ASP 14 HA ASP 14 3.468 11.848 -5.104 83 1HB ASP 14 1HB ASP 14 4.827 10.708 -6.845 84 2HB ASP 14 2HB ASP 14 3.439 9.690 -7.252 85 H TYR 15 H TYR 15 1.742 8.797 -4.873 86 HA TYR 15 HA TYR 15 -0.839 9.955 -5.716 87 1HB TYR 15 1HB TYR 15 -0.057 7.202 -4.638 88 2HB TYR 15 2HB TYR 15 -1.692 7.730 -4.919 89 HD1 TYR 15 HD1 TYR 15 -1.466 5.469 -6.173 90 HD2 TYR 15 HD2 TYR 15 0.303 9.148 -7.595 91 HE1 TYR 15 HE1 TYR 15 -1.763 4.707 -8.469 92 HE2 TYR 15 HE2 TYR 15 0.017 8.361 -9.927 93 HH TYR 15 HH TYR 15 -1.687 5.329 -10.756 94 H THR 16 H THR 16 -2.347 10.672 -4.291 95 HA THR 16 HA THR 16 -1.853 10.315 -1.372 96 HB THR 16 HB THR 16 -2.504 12.639 -1.067 97 HG1 THR 16 HG1 THR 16 -2.273 12.862 -3.909 98 1HG2 THR 16 1HG2 THR 16 -0.461 13.693 -1.779 99 2HG2 THR 16 2HG2 THR 16 -0.099 12.040 -1.247 100 3HG2 THR 16 3HG2 THR 16 -0.143 12.432 -2.979 101 H ASN 17 H ASN 17 -3.797 8.867 -3.186 102 HA ASN 17 HA ASN 17 -6.271 9.562 -1.673 103 1HB ASN 17 1HB ASN 17 -6.160 7.905 -4.189 104 2HB ASN 17 2HB ASN 17 -7.564 8.212 -3.226 105 1HD2 ASN 17 1HD2 ASN 17 -5.187 9.817 -5.329 106 2HD2 ASN 17 2HD2 ASN 17 -6.269 11.068 -5.874 107 H SER 18 H SER 18 -7.044 7.850 -0.554 108 HA SER 18 HA SER 18 -5.215 5.779 0.303 109 1HB SER 18 1HB SER 18 -7.192 5.052 1.744 110 2HB SER 18 2HB SER 18 -6.712 6.736 1.966 111 HG SER 18 HG SER 18 -8.405 7.427 0.844 112 H GLN 19 H GLN 19 -7.219 5.961 -2.348 113 HA GLN 19 HA GLN 19 -7.849 3.088 -2.473 114 1HB GLN 19 1HB GLN 19 -9.426 5.233 -2.930 115 2HB GLN 19 2HB GLN 19 -8.751 5.086 -4.546 116 1HG GLN 19 1HG GLN 19 -10.275 2.987 -2.962 117 2HG GLN 19 2HG GLN 19 -10.851 3.880 -4.377 118 1HE2 GLN 19 1HE2 GLN 19 -9.862 0.849 -3.548 119 2HE2 GLN 19 2HE2 GLN 19 -8.982 0.421 -5.027 120 H ASP 20 H ASP 20 -6.665 5.562 -4.879 121 HA ASP 20 HA ASP 20 -5.418 3.833 -6.642 122 1HB ASP 20 1HB ASP 20 -4.861 6.714 -5.833 123 2HB ASP 20 2HB ASP 20 -3.787 5.852 -6.930 124 H ALA 21 H ALA 21 -3.750 5.520 -3.848 125 HA ALA 21 HA ALA 21 -1.265 4.300 -4.180 126 1HB ALA 21 1HB ALA 21 -1.675 6.124 -2.584 127 2HB ALA 21 2HB ALA 21 -2.680 5.054 -1.582 128 3HB ALA 21 3HB ALA 21 -0.950 4.726 -1.773 129 H TRP 22 H TRP 22 -3.998 3.147 -2.161 130 HA TRP 22 HA TRP 22 -2.784 0.839 -1.139 131 1HB TRP 22 1HB TRP 22 -4.799 1.815 -0.250 132 2HB TRP 22 2HB TRP 22 -5.681 1.493 -1.733 133 HD1 TRP 22 HD1 TRP 22 -6.470 -1.000 -2.186 134 HE1 TRP 22 HE1 TRP 22 -7.027 -2.899 -0.553 135 HE3 TRP 22 HE3 TRP 22 -4.018 0.727 1.969 136 HZ2 TRP 22 HZ2 TRP 22 -6.471 -3.594 2.201 137 HZ3 TRP 22 HZ3 TRP 22 -4.171 -0.479 4.107 138 HH2 TRP 22 HH2 TRP 22 -5.378 -2.611 4.245 139 H ASP 23 H ASP 23 -5.002 1.047 -4.022 140 HA ASP 23 HA ASP 23 -4.880 -1.756 -4.636 141 1HB ASP 23 1HB ASP 23 -5.731 0.716 -6.084 142 2HB ASP 23 2HB ASP 23 -5.404 -0.745 -6.991 143 H TYR 24 H TYR 24 -2.766 0.991 -5.707 144 HA TYR 24 HA TYR 24 -1.254 -0.673 -7.434 145 1HB TYR 24 1HB TYR 24 -0.800 1.987 -6.070 146 2HB TYR 24 2HB TYR 24 0.542 1.183 -6.851 147 HD1 TYR 24 HD1 TYR 24 -3.121 1.871 -7.779 148 HD2 TYR 24 HD2 TYR 24 1.048 2.066 -8.914 149 HE1 TYR 24 HE1 TYR 24 -3.744 2.857 -9.909 150 HE2 TYR 24 HE2 TYR 24 0.394 2.914 -11.141 151 HH TYR 24 HH TYR 24 -1.585 3.004 -12.590 152 H CYS 25 H CYS 25 -0.585 0.394 -4.051 153 HA CYS 25 HA CYS 25 1.786 -0.937 -3.539 154 1HB CYS 25 1HB CYS 25 -0.576 -0.625 -1.620 155 2HB CYS 25 2HB CYS 25 1.073 -0.960 -1.135 156 H THR 26 H THR 26 -1.485 -2.186 -3.171 157 HA THR 26 HA THR 26 -0.757 -4.741 -1.983 158 HB THR 26 HB THR 26 -3.055 -5.065 -1.838 159 HG1 THR 26 HG1 THR 26 -3.451 -2.540 -3.050 160 1HG2 THR 26 1HG2 THR 26 -2.222 -2.244 -1.026 161 2HG2 THR 26 2HG2 THR 26 -3.647 -3.082 -0.441 162 3HG2 THR 26 3HG2 THR 26 -2.010 -3.720 -0.137 163 H ASN 27 H ASN 27 -0.423 -3.703 -5.094 164 HA ASN 27 HA ASN 27 -0.174 -4.644 -7.084 165 1HB ASN 27 1HB ASN 27 1.157 -6.295 -5.591 166 2HB ASN 27 2HB ASN 27 -0.193 -7.408 -5.851 167 1HD2 ASN 27 1HD2 ASN 27 -0.297 -8.469 -7.976 168 2HD2 ASN 27 2HD2 ASN 27 0.981 -8.167 -9.142 169 H TYR 28 H TYR 28 -2.798 -4.095 -6.049 170 HA TYR 28 HA TYR 28 -4.691 -5.902 -7.331 171 1HB TYR 28 1HB TYR 28 -5.160 -4.219 -5.428 172 2HB TYR 28 2HB TYR 28 -4.929 -2.965 -6.661 173 HD1 TYR 28 HD1 TYR 28 -6.544 -2.326 -8.169 174 HD2 TYR 28 HD2 TYR 28 -7.151 -5.654 -5.567 175 HE1 TYR 28 HE1 TYR 28 -8.816 -2.490 -9.034 176 HE2 TYR 28 HE2 TYR 28 -9.436 -5.887 -6.366 177 HH TYR 28 HH TYR 28 -11.171 -4.705 -7.495 178 H ILE 29 H ILE 29 -2.799 -2.968 -8.028 179 HA ILE 29 HA ILE 29 -3.335 -3.254 -10.943 180 HB ILE 29 HB ILE 29 -2.626 -0.828 -9.271 181 1HG1 ILE 29 1HG1 ILE 29 -5.031 -1.674 -9.372 182 2HG1 ILE 29 2HG1 ILE 29 -4.777 -0.015 -9.729 183 1HG2 ILE 29 1HG2 ILE 29 -2.790 0.420 -11.467 184 2HG2 ILE 29 2HG2 ILE 29 -1.352 -0.587 -11.288 185 3HG2 ILE 29 3HG2 ILE 29 -2.700 -1.144 -12.299 186 1HD1 ILE 29 1HD1 ILE 29 -5.043 -0.475 -12.163 187 2HD1 ILE 29 2HD1 ILE 29 -5.249 -2.205 -11.794 188 3HD1 ILE 29 3HD1 ILE 29 -6.430 -1.015 -11.215 189 H VAL 30 H VAL 30 -1.662 -4.388 -11.793 190 HA VAL 30 HA VAL 30 0.940 -4.610 -10.614 191 HB VAL 30 HB VAL 30 -0.195 -5.232 -13.326 192 1HG1 VAL 30 1HG1 VAL 30 1.973 -6.262 -13.953 193 2HG1 VAL 30 2HG1 VAL 30 2.107 -4.506 -13.855 194 3HG1 VAL 30 3HG1 VAL 30 2.750 -5.503 -12.532 195 1HG2 VAL 30 1HG2 VAL 30 -0.584 -6.715 -11.388 196 2HG2 VAL 30 2HG2 VAL 30 0.460 -7.521 -12.573 197 3HG2 VAL 30 3HG2 VAL 30 1.167 -6.790 -11.101 198 H ASN 31 H ASN 31 2.476 -3.242 -10.531 199 HA ASN 31 HA ASN 31 2.860 -1.057 -12.452 200 1HB ASN 31 1HB ASN 31 2.479 0.760 -11.007 201 2HB ASN 31 2HB ASN 31 1.055 -0.254 -10.873 202 1HD2 ASN 31 1HD2 ASN 31 0.908 -1.692 -8.847 203 2HD2 ASN 31 2HD2 ASN 31 1.782 -1.133 -7.422 204 H SER 32 H SER 32 4.207 -3.153 -10.126 205 HA SER 32 HA SER 32 6.302 -3.608 -9.502 206 1HB SER 32 1HB SER 32 7.272 -0.986 -10.733 207 2HB SER 32 2HB SER 32 8.269 -2.226 -9.986 208 HG SER 32 HG SER 32 7.600 -3.708 -11.482 209 H SER 33 H SER 33 8.013 -2.358 -7.914 210 HA SER 33 HA SER 33 8.488 -1.706 -5.947 211 1HB SER 33 1HB SER 33 7.865 0.442 -7.116 212 2HB SER 33 2HB SER 33 6.327 0.324 -6.285 213 HG SER 33 HG SER 33 7.522 1.489 -4.877 214 H CYS 34 H CYS 34 5.563 -3.032 -6.506 215 HA CYS 34 HA CYS 34 3.994 -2.748 -4.219 216 1HB CYS 34 1HB CYS 34 3.012 -4.955 -4.914 217 2HB CYS 34 2HB CYS 34 3.120 -3.751 -6.197 218 H GLY 35 H GLY 35 3.548 -4.135 -2.445 219 1HA GLY 35 1HA GLY 35 4.253 -6.011 -0.996 220 2HA GLY 35 2HA GLY 35 5.939 -5.620 -1.404 221 H GLU 36 H GLU 36 6.124 -5.416 1.012 222 HA GLU 36 HA GLU 36 4.387 -3.645 2.410 223 1HB GLU 36 1HB GLU 36 5.613 -4.057 4.310 224 2HB GLU 36 2HB GLU 36 5.514 -5.536 3.326 225 1HG GLU 36 1HG GLU 36 7.917 -5.161 2.675 226 2HG GLU 36 2HG GLU 36 7.943 -3.823 3.856 227 H ILE 37 H ILE 37 7.461 -3.117 0.824 228 HA ILE 37 HA ILE 37 8.176 -0.551 1.594 229 HB ILE 37 HB ILE 37 8.171 -1.721 -1.201 230 1HG1 ILE 37 1HG1 ILE 37 10.701 -1.891 -0.073 231 2HG1 ILE 37 2HG1 ILE 37 9.700 -2.258 1.282 232 1HG2 ILE 37 1HG2 ILE 37 10.065 -0.059 -1.536 233 2HG2 ILE 37 2HG2 ILE 37 8.554 0.787 -1.172 234 3HG2 ILE 37 3HG2 ILE 37 9.757 0.587 0.087 235 1HD1 ILE 37 1HD1 ILE 37 9.749 -3.713 -1.393 236 2HD1 ILE 37 2HD1 ILE 37 10.313 -4.314 0.174 237 3HD1 ILE 37 3HD1 ILE 37 8.583 -4.074 -0.104 238 H CYS 38 H CYS 38 5.913 -1.252 -1.219 239 HA CYS 38 HA CYS 38 5.457 1.513 -1.561 240 1HB CYS 38 1HB CYS 38 5.054 -0.378 -3.191 241 2HB CYS 38 2HB CYS 38 3.519 -0.655 -2.367 242 H CYS 39 H CYS 39 3.794 -0.862 0.482 243 HA CYS 39 HA CYS 39 1.688 0.775 1.537 244 1HB CYS 39 1HB CYS 39 3.384 -1.191 3.073 245 2HB CYS 39 2HB CYS 39 1.748 -0.689 3.375 246 H ASN 40 H ASN 40 5.064 0.296 2.752 247 HA ASN 40 HA ASN 40 4.936 2.232 4.782 248 1HB ASN 40 1HB ASN 40 7.036 0.650 3.378 249 2HB ASN 40 2HB ASN 40 7.614 2.192 3.916 250 1HD2 ASN 40 1HD2 ASN 40 5.277 -0.187 5.324 251 2HD2 ASN 40 2HD2 ASN 40 6.302 -0.518 6.715 252 H ASP 41 H ASP 41 5.547 2.598 1.284 253 HA ASP 41 HA ASP 41 6.900 5.051 1.377 254 1HB ASP 41 1HB ASP 41 5.311 3.814 -0.890 255 2HB ASP 41 2HB ASP 41 6.271 5.298 -0.930 256 H CYS 42 H CYS 42 3.451 4.222 1.295 257 HA CYS 42 HA CYS 42 2.673 7.102 1.054 258 1HB CYS 42 1HB CYS 42 1.739 4.780 -0.318 259 2HB CYS 42 2HB CYS 42 0.440 5.348 0.744 260 H PHE 43 H PHE 43 2.261 4.164 3.014 261 HA PHE 43 HA PHE 43 0.255 5.487 4.754 262 1HB PHE 43 1HB PHE 43 0.968 2.550 4.289 263 2HB PHE 43 2HB PHE 43 -0.096 3.123 5.563 264 HD1 PHE 43 HD1 PHE 43 -2.210 4.364 4.952 265 HD2 PHE 43 HD2 PHE 43 0.156 2.273 2.025 266 HE1 PHE 43 HE1 PHE 43 -4.112 4.409 3.401 267 HE2 PHE 43 HE2 PHE 43 -1.777 2.210 0.490 268 HZ PHE 43 HZ PHE 43 -3.941 3.278 1.174 269 H ASP 44 H ASP 44 0.629 5.559 6.928 270 HA ASP 44 HA ASP 44 3.304 5.416 7.998 271 1HB ASP 44 1HB ASP 44 2.093 5.527 10.218 272 2HB ASP 44 2HB ASP 44 1.767 6.816 9.161 273 H GLU 45 H GLU 45 3.332 4.202 10.041 274 HA GLU 45 HA GLU 45 3.806 1.455 9.178 275 1HB GLU 45 1HB GLU 45 5.198 2.785 10.859 276 2HB GLU 45 2HB GLU 45 3.964 2.337 12.046 277 1HG GLU 45 1HG GLU 45 4.375 -0.105 11.376 278 2HG GLU 45 2HG GLU 45 5.745 0.471 10.413 279 H THR 46 H THR 46 1.194 2.969 11.123 280 HA THR 46 HA THR 46 0.132 0.410 12.019 281 HB THR 46 HB THR 46 -1.075 3.206 11.981 282 HG1 THR 46 HG1 THR 46 0.133 1.688 14.048 283 1HG2 THR 46 1HG2 THR 46 -1.996 0.626 13.293 284 2HG2 THR 46 2HG2 THR 46 -2.644 2.233 13.683 285 3HG2 THR 46 3HG2 THR 46 -2.860 1.582 12.064 286 H GLY 47 H GLY 47 -0.792 2.880 9.564 287 1HA GLY 47 1HA GLY 47 -2.967 1.575 8.363 288 2HA GLY 47 2HA GLY 47 -1.844 2.687 7.543 289 H THR 48 H THR 48 0.511 1.362 7.580 290 HA THR 48 HA THR 48 0.460 -0.357 5.441 291 HB THR 48 HB THR 48 2.443 0.120 7.699 292 HG1 THR 48 HG1 THR 48 2.477 1.761 6.316 293 1HG2 THR 48 1HG2 THR 48 4.130 -1.095 6.703 294 2HG2 THR 48 2HG2 THR 48 2.824 -2.231 6.795 295 3HG2 THR 48 3HG2 THR 48 3.203 -1.455 5.235 296 H GLY 49 H GLY 49 0.123 -1.457 8.911 297 1HA GLY 49 1HA GLY 49 0.853 -4.078 8.350 298 2HA GLY 49 2HA GLY 49 -0.298 -3.628 9.629 299 H ALA 50 H ALA 50 -2.289 -2.601 7.724 300 HA ALA 50 HA ALA 50 -3.653 -5.036 6.885 301 1HB ALA 50 1HB ALA 50 -5.349 -3.406 6.167 302 2HB ALA 50 2HB ALA 50 -4.774 -3.057 7.790 303 3HB ALA 50 3HB ALA 50 -4.161 -2.063 6.429 304 H CYS 51 H CYS 51 -2.006 -2.262 5.261 305 HA CYS 51 HA CYS 51 -2.813 -2.918 2.641 306 1HB CYS 51 1HB CYS 51 -1.988 -0.731 3.562 307 2HB CYS 51 2HB CYS 51 -0.354 -1.393 3.529 308 H ARG 52 H ARG 52 -0.067 -3.777 4.739 309 HA ARG 52 HA ARG 52 1.358 -5.419 2.958 310 1HB ARG 52 1HB ARG 52 1.093 -5.658 5.974 311 2HB ARG 52 2HB ARG 52 2.123 -6.654 4.915 312 1HG ARG 52 1HG ARG 52 3.307 -4.669 4.126 313 2HG ARG 52 2HG ARG 52 2.282 -3.660 5.115 314 1HD ARG 52 1HD ARG 52 4.339 -3.851 6.289 315 2HD ARG 52 2HD ARG 52 3.151 -4.849 7.154 316 HE ARG 52 HE ARG 52 4.915 -6.153 5.142 317 1HH1 ARG 52 2HH2 ARG 52 4.819 -5.251 8.554 318 2HH1 ARG 52 1HH2 ARG 52 5.603 -6.699 9.069 319 1HH2 ARG 52 2HH1 ARG 52 6.381 -7.688 5.857 320 2HH2 ARG 52 1HH1 ARG 52 6.384 -8.239 7.497 321 H ALA 53 H ALA 53 -1.401 -6.287 5.197 322 HA ALA 53 HA ALA 53 -1.430 -9.018 4.526 323 1HB ALA 53 1HB ALA 53 -3.782 -9.063 5.094 324 2HB ALA 53 2HB ALA 53 -2.876 -8.103 6.296 325 3HB ALA 53 3HB ALA 53 -3.889 -7.310 5.052 326 H GLN 54 H GLN 54 -3.175 -6.331 2.871 327 HA GLN 54 HA GLN 54 -4.183 -7.966 0.756 328 1HB GLN 54 1HB GLN 54 -4.918 -5.608 1.557 329 2HB GLN 54 2HB GLN 54 -3.610 -5.019 0.643 330 1HG GLN 54 1HG GLN 54 -5.490 -4.753 -0.739 331 2HG GLN 54 2HG GLN 54 -4.703 -6.160 -1.419 332 1HE2 GLN 54 1HE2 GLN 54 -6.938 -6.653 -2.422 333 2HE2 GLN 54 2HE2 GLN 54 -8.120 -7.369 -1.369 334 H ALA 55 H ALA 55 -0.910 -7.009 1.322 335 HA ALA 55 HA ALA 55 -0.244 -7.594 -1.519 336 1HB ALA 55 1HB ALA 55 0.724 -5.483 -0.557 337 2HB ALA 55 2HB ALA 55 1.561 -6.460 0.664 338 3HB ALA 55 3HB ALA 55 1.949 -6.664 -1.055 339 H PHE 56 H PHE 56 -0.368 -8.998 1.650 340 HA PHE 56 HA PHE 56 1.958 -10.720 1.302 341 1HB PHE 56 1HB PHE 56 1.458 -9.582 3.520 342 2HB PHE 56 2HB PHE 56 -0.054 -10.434 3.561 343 HD1 PHE 56 HD1 PHE 56 -0.058 -12.080 5.205 344 HD2 PHE 56 HD2 PHE 56 3.409 -11.752 2.636 345 HE1 PHE 56 HE1 PHE 56 0.879 -14.169 6.164 346 HE2 PHE 56 HE2 PHE 56 4.330 -13.795 3.626 347 HZ PHE 56 HZ PHE 56 3.074 -15.025 5.374 348 H GLY 57 H GLY 57 -1.414 -11.191 2.271 349 1HA GLY 57 1HA GLY 57 -1.534 -13.857 0.889 350 2HA GLY 57 2HA GLY 57 -2.383 -13.454 2.396 351 H ASN 58 H ASN 58 -2.004 -11.954 -0.882 352 HA ASN 58 HA ASN 58 -4.903 -12.106 -1.364 353 1HB ASN 58 1HB ASN 58 -4.692 -9.977 -0.203 354 2HB ASN 58 2HB ASN 58 -3.271 -9.593 -1.156 355 1HD2 ASN 58 1HD2 ASN 58 -3.777 -7.941 -2.583 356 2HD2 ASN 58 2HD2 ASN 58 -5.139 -7.984 -3.694 357 H SER 59 H SER 59 -2.691 -9.951 -3.125 358 HA SER 59 HA SER 59 -2.764 -11.848 -5.439 359 1HB SER 59 1HB SER 59 -4.479 -9.999 -5.427 360 2HB SER 59 2HB SER 59 -3.120 -8.844 -5.443 361 HG SER 59 HG SER 59 -2.438 -10.109 -7.367 362 H CYS 60 H CYS 60 -0.584 -9.952 -3.537 363 HA CYS 60 HA CYS 60 1.308 -9.706 -5.807 364 1HB CYS 60 1HB CYS 60 1.042 -8.003 -3.826 365 2HB CYS 60 2HB CYS 60 2.050 -9.182 -2.964 366 H LEU 61 H LEU 61 3.411 -10.855 -5.544 367 HA LEU 61 HA LEU 61 2.886 -13.638 -4.766 368 1HB LEU 61 1HB LEU 61 3.935 -12.863 -6.935 369 2HB LEU 61 2HB LEU 61 5.344 -12.390 -6.024 370 HG LEU 61 HG LEU 61 5.789 -14.453 -7.068 371 1HD1 LEU 61 1HD1 LEU 61 5.238 -15.258 -4.188 372 2HD1 LEU 61 2HD1 LEU 61 6.395 -15.964 -5.317 373 3HD1 LEU 61 3HD1 LEU 61 6.652 -14.317 -4.732 374 1HD2 LEU 61 1HD2 LEU 61 4.402 -16.492 -6.681 375 2HD2 LEU 61 2HD2 LEU 61 3.199 -15.475 -5.874 376 3HD2 LEU 61 3HD2 LEU 61 3.577 -15.208 -7.586 377 H ASN 62 H ASN 62 5.626 -11.362 -4.227 378 HA ASN 62 HA ASN 62 5.804 -12.283 -1.432 379 1HB ASN 62 1HB ASN 62 8.050 -11.872 -1.300 380 2HB ASN 62 2HB ASN 62 7.870 -12.814 -2.772 381 1HD2 ASN 62 1HD2 ASN 62 7.729 -11.331 -4.905 382 2HD2 ASN 62 2HD2 ASN 62 8.663 -9.850 -4.815 383 H TRP 63 H TRP 63 5.271 -10.748 0.020 384 HA TRP 63 HA TRP 63 4.841 -7.986 -0.750 385 1HB TRP 63 1HB TRP 63 4.664 -7.601 1.666 386 2HB TRP 63 2HB TRP 63 3.587 -8.871 1.114 387 HD1 TRP 63 HD1 TRP 63 6.589 -10.823 1.477 388 HE1 TRP 63 HE1 TRP 63 6.670 -12.002 3.691 389 HE3 TRP 63 HE3 TRP 63 3.172 -8.028 3.849 390 HZ2 TRP 63 HZ2 TRP 63 5.447 -11.650 6.347 391 HZ3 TRP 63 HZ3 TRP 63 2.562 -8.441 6.275 392 HH2 TRP 63 HH2 TRP 63 3.707 -10.287 7.501 Start of MODEL 16 1 1H THR 1 1H THR 1 -8.694 -0.873 11.277 2 HA THR 1 HA THR 1 -7.484 1.584 12.315 3 HB THR 1 HB THR 1 -6.044 -0.752 12.012 4 HG1 THR 1 HG1 THR 1 -5.189 1.947 12.007 5 1HG2 THR 1 1HG2 THR 1 -5.793 -0.545 9.530 6 2HG2 THR 1 2HG2 THR 1 -5.267 1.125 9.747 7 3HG2 THR 1 3HG2 THR 1 -4.271 -0.207 10.365 8 H ASP 2 H ASP 2 -7.789 -0.373 9.270 9 HA ASP 2 HA ASP 2 -8.344 0.073 7.194 10 1HB ASP 2 1HB ASP 2 -10.300 1.372 8.457 11 2HB ASP 2 2HB ASP 2 -9.408 2.775 7.852 12 HA PRO 3 HA PRO 3 -4.955 2.811 5.871 13 1HB PRO 3 1HB PRO 3 -5.729 3.577 3.308 14 2HB PRO 3 2HB PRO 3 -4.899 2.042 3.733 15 1HG PRO 3 1HG PRO 3 -7.861 2.538 3.322 16 2HG PRO 3 2HG PRO 3 -6.878 1.171 2.716 17 1HD PRO 3 1HD PRO 3 -8.368 0.801 4.903 18 2HD PRO 3 2HD PRO 3 -6.708 0.226 4.890 19 H GLU 4 H GLU 4 -8.235 3.687 5.592 20 HA GLU 4 HA GLU 4 -8.397 6.265 4.696 21 1HB GLU 4 1HB GLU 4 -10.265 4.775 5.254 22 2HB GLU 4 2HB GLU 4 -9.952 4.988 6.982 23 1HG GLU 4 1HG GLU 4 -10.414 7.488 6.574 24 2HG GLU 4 2HG GLU 4 -10.977 7.022 4.969 25 H GLU 5 H GLU 5 -8.138 5.455 8.187 26 HA GLU 5 HA GLU 5 -7.741 8.314 8.749 27 1HB GLU 5 1HB GLU 5 -8.274 6.007 10.651 28 2HB GLU 5 2HB GLU 5 -8.281 7.736 11.039 29 1HG GLU 5 1HG GLU 5 -9.994 7.848 8.983 30 2HG GLU 5 2HG GLU 5 -10.201 6.137 9.354 31 H HIS 6 H HIS 6 -5.601 7.042 7.483 32 HA HIS 6 HA HIS 6 -3.467 7.466 9.503 33 1HB HIS 6 1HB HIS 6 -3.698 5.011 7.721 34 2HB HIS 6 2HB HIS 6 -2.208 5.520 8.532 35 HD1 HIS 6 HD1 HIS 6 -2.131 5.227 11.226 36 HD2 HIS 6 HD2 HIS 6 -5.821 4.277 9.428 37 HE1 HIS 6 HE1 HIS 6 -3.442 3.873 12.917 38 H PHE 7 H PHE 7 -3.642 6.464 6.087 39 HA PHE 7 HA PHE 7 -1.976 6.975 4.487 40 1HB PHE 7 1HB PHE 7 -4.286 7.613 3.957 41 2HB PHE 7 2HB PHE 7 -3.960 9.247 4.492 42 HD1 PHE 7 HD1 PHE 7 -5.021 9.491 2.114 43 HD2 PHE 7 HD2 PHE 7 -0.969 8.067 2.729 44 HE1 PHE 7 HE1 PHE 7 -4.455 9.961 -0.247 45 HE2 PHE 7 HE2 PHE 7 -0.464 8.490 0.392 46 HZ PHE 7 HZ PHE 7 -2.189 9.342 -1.131 47 H ASP 8 H ASP 8 0.069 7.316 5.419 48 HA ASP 8 HA ASP 8 0.866 10.139 5.849 49 1HB ASP 8 1HB ASP 8 0.553 8.951 7.998 50 2HB ASP 8 2HB ASP 8 1.814 7.798 7.540 51 HA PRO 9 HA PRO 9 3.357 7.928 2.682 52 1HB PRO 9 1HB PRO 9 3.380 9.970 0.811 53 2HB PRO 9 2HB PRO 9 2.099 8.715 0.930 54 1HG PRO 9 1HG PRO 9 2.091 11.562 1.874 55 2HG PRO 9 2HG PRO 9 0.751 10.616 1.181 56 1HD PRO 9 1HD PRO 9 1.131 11.108 3.900 57 2HD PRO 9 2HD PRO 9 0.254 9.712 3.245 58 H ASN 10 H ASN 10 5.535 8.009 2.404 59 HA ASN 10 HA ASN 10 7.094 10.316 3.434 60 1HB ASN 10 1HB ASN 10 8.122 7.878 1.941 61 2HB ASN 10 2HB ASN 10 9.059 9.068 2.835 62 1HD2 ASN 10 1HD2 ASN 10 8.666 6.023 3.084 63 2HD2 ASN 10 2HD2 ASN 10 7.957 5.772 4.625 64 H THR 11 H THR 11 8.935 10.951 1.840 65 HA THR 11 HA THR 11 7.739 12.032 -0.565 66 HB THR 11 HB THR 11 9.896 13.208 -0.770 67 HG1 THR 11 HG1 THR 11 11.542 12.438 0.177 68 1HG2 THR 11 1HG2 THR 11 8.819 13.322 2.088 69 2HG2 THR 11 2HG2 THR 11 9.717 14.584 1.230 70 3HG2 THR 11 3HG2 THR 11 8.095 14.132 0.687 71 H ASN 12 H ASN 12 7.597 9.432 -0.789 72 HA ASN 12 HA ASN 12 9.167 8.908 -3.226 73 1HB ASN 12 1HB ASN 12 9.825 7.287 -1.255 74 2HB ASN 12 2HB ASN 12 8.228 6.579 -1.533 75 1HD2 ASN 12 1HD2 ASN 12 8.439 6.968 -4.593 76 2HD2 ASN 12 2HD2 ASN 12 9.290 5.439 -4.834 77 H CYS 13 H CYS 13 6.122 8.692 -1.281 78 HA CYS 13 HA CYS 13 4.582 7.262 -3.213 79 1HB CYS 13 1HB CYS 13 4.026 7.394 -0.809 80 2HB CYS 13 2HB CYS 13 3.803 9.137 -0.991 81 H ASP 14 H ASP 14 3.753 8.069 -5.142 82 HA ASP 14 HA ASP 14 3.957 11.015 -5.562 83 1HB ASP 14 1HB ASP 14 4.597 8.819 -7.208 84 2HB ASP 14 2HB ASP 14 3.068 9.414 -7.873 85 H TYR 15 H TYR 15 1.612 8.563 -4.893 86 HA TYR 15 HA TYR 15 -0.684 10.026 -6.096 87 1HB TYR 15 1HB TYR 15 -0.451 7.375 -4.658 88 2HB TYR 15 2HB TYR 15 -1.929 8.043 -5.348 89 HD1 TYR 15 HD1 TYR 15 0.431 8.997 -7.807 90 HD2 TYR 15 HD2 TYR 15 -1.437 5.464 -6.164 91 HE1 TYR 15 HE1 TYR 15 0.869 7.790 -9.864 92 HE2 TYR 15 HE2 TYR 15 -1.024 4.274 -8.234 93 HH TYR 15 HH TYR 15 0.103 4.295 -10.206 94 H THR 16 H THR 16 -2.556 10.438 -4.881 95 HA THR 16 HA THR 16 -2.167 11.244 -2.053 96 HB THR 16 HB THR 16 -3.304 13.372 -2.842 97 HG1 THR 16 HG1 THR 16 -3.237 13.862 -4.913 98 1HG2 THR 16 1HG2 THR 16 -1.214 14.451 -3.451 99 2HG2 THR 16 2HG2 THR 16 -0.898 13.255 -2.185 100 3HG2 THR 16 3HG2 THR 16 -0.468 12.901 -3.872 101 H ASN 17 H ASN 17 -3.796 9.035 -3.528 102 HA ASN 17 HA ASN 17 -6.502 9.855 -2.548 103 1HB ASN 17 1HB ASN 17 -5.756 7.947 -4.769 104 2HB ASN 17 2HB ASN 17 -7.248 7.777 -3.913 105 1HD2 ASN 17 1HD2 ASN 17 -5.443 10.014 -5.988 106 2HD2 ASN 17 2HD2 ASN 17 -6.900 10.814 -6.581 107 H SER 18 H SER 18 -7.474 8.305 -1.467 108 HA SER 18 HA SER 18 -5.830 6.305 -0.015 109 1HB SER 18 1HB SER 18 -7.905 6.173 1.463 110 2HB SER 18 2HB SER 18 -7.074 7.735 1.451 111 HG SER 18 HG SER 18 -8.662 8.574 0.091 112 H GLN 19 H GLN 19 -6.938 6.157 -2.924 113 HA GLN 19 HA GLN 19 -7.660 3.324 -2.589 114 1HB GLN 19 1HB GLN 19 -9.647 4.764 -3.372 115 2HB GLN 19 2HB GLN 19 -8.748 5.011 -4.868 116 1HG GLN 19 1HG GLN 19 -10.238 3.158 -5.234 117 2HG GLN 19 2HG GLN 19 -8.597 2.490 -5.115 118 1HE2 GLN 19 1HE2 GLN 19 -8.458 0.631 -3.707 119 2HE2 GLN 19 2HE2 GLN 19 -9.559 0.384 -2.372 120 H ASP 20 H ASP 20 -6.609 5.699 -5.201 121 HA ASP 20 HA ASP 20 -5.328 3.971 -6.784 122 1HB ASP 20 1HB ASP 20 -4.455 6.804 -6.061 123 2HB ASP 20 2HB ASP 20 -3.831 5.882 -7.396 124 H ALA 21 H ALA 21 -3.759 5.675 -4.063 125 HA ALA 21 HA ALA 21 -1.195 4.521 -4.274 126 1HB ALA 21 1HB ALA 21 -0.904 5.101 -1.924 127 2HB ALA 21 2HB ALA 21 -1.698 6.428 -2.792 128 3HB ALA 21 3HB ALA 21 -2.646 5.360 -1.738 129 H TRP 22 H TRP 22 -3.835 3.399 -2.111 130 HA TRP 22 HA TRP 22 -2.593 1.076 -1.129 131 1HB TRP 22 1HB TRP 22 -4.510 1.955 -0.131 132 2HB TRP 22 2HB TRP 22 -5.490 1.804 -1.585 133 HD1 TRP 22 HD1 TRP 22 -6.221 -0.742 -2.256 134 HE1 TRP 22 HE1 TRP 22 -6.815 -2.715 -0.746 135 HE3 TRP 22 HE3 TRP 22 -3.860 0.793 1.982 136 HZ2 TRP 22 HZ2 TRP 22 -6.486 -3.434 2.083 137 HZ3 TRP 22 HZ3 TRP 22 -4.188 -0.450 4.149 138 HH2 TRP 22 HH2 TRP 22 -5.428 -2.561 4.165 139 H ASP 23 H ASP 23 -4.811 1.395 -3.981 140 HA ASP 23 HA ASP 23 -4.932 -1.350 -4.609 141 1HB ASP 23 1HB ASP 23 -5.321 1.164 -6.256 142 2HB ASP 23 2HB ASP 23 -5.344 -0.406 -6.996 143 H TYR 24 H TYR 24 -2.650 1.190 -5.792 144 HA TYR 24 HA TYR 24 -1.211 -0.646 -7.421 145 1HB TYR 24 1HB TYR 24 -0.698 2.125 -6.335 146 2HB TYR 24 2HB TYR 24 0.613 1.219 -7.064 147 HD1 TYR 24 HD1 TYR 24 -3.038 2.002 -7.884 148 HD2 TYR 24 HD2 TYR 24 0.998 1.560 -9.297 149 HE1 TYR 24 HE1 TYR 24 -3.775 2.664 -10.115 150 HE2 TYR 24 HE2 TYR 24 0.261 2.070 -11.598 151 HH TYR 24 HH TYR 24 -1.764 1.919 -12.896 152 H CYS 25 H CYS 25 -0.501 0.664 -4.119 153 HA CYS 25 HA CYS 25 1.820 -0.709 -3.478 154 1HB CYS 25 1HB CYS 25 -0.549 -0.172 -1.651 155 2HB CYS 25 2HB CYS 25 1.038 -0.681 -1.105 156 H THR 26 H THR 26 -1.473 -2.002 -3.407 157 HA THR 26 HA THR 26 -0.639 -4.481 -2.055 158 HB THR 26 HB THR 26 -2.964 -4.831 -1.782 159 HG1 THR 26 HG1 THR 26 -3.406 -2.277 -2.916 160 1HG2 THR 26 1HG2 THR 26 -3.430 -2.880 -0.296 161 2HG2 THR 26 2HG2 THR 26 -1.780 -3.526 -0.121 162 3HG2 THR 26 3HG2 THR 26 -2.053 -2.028 -0.986 163 H ASN 27 H ASN 27 -0.470 -3.595 -5.207 164 HA ASN 27 HA ASN 27 -0.405 -4.744 -7.172 165 1HB ASN 27 1HB ASN 27 1.065 -6.231 -5.949 166 2HB ASN 27 2HB ASN 27 -0.253 -7.143 -5.334 167 1HD2 ASN 27 1HD2 ASN 27 2.114 -7.037 -7.634 168 2HD2 ASN 27 2HD2 ASN 27 1.429 -8.180 -8.806 169 H TYR 28 H TYR 28 -2.923 -3.907 -5.859 170 HA TYR 28 HA TYR 28 -4.975 -5.560 -7.127 171 1HB TYR 28 1HB TYR 28 -5.259 -3.746 -5.297 172 2HB TYR 28 2HB TYR 28 -5.026 -2.602 -6.628 173 HD1 TYR 28 HD1 TYR 28 -7.091 -5.531 -5.625 174 HD2 TYR 28 HD2 TYR 28 -6.818 -1.897 -7.922 175 HE1 TYR 28 HE1 TYR 28 -9.375 -5.847 -6.318 176 HE2 TYR 28 HE2 TYR 28 -9.067 -2.207 -8.756 177 HH TYR 28 HH TYR 28 -11.085 -5.085 -7.791 178 H ILE 29 H ILE 29 -2.695 -2.988 -7.960 179 HA ILE 29 HA ILE 29 -3.245 -3.409 -10.842 180 HB ILE 29 HB ILE 29 -2.687 -0.824 -9.388 181 1HG1 ILE 29 1HG1 ILE 29 -5.019 -1.648 -9.136 182 2HG1 ILE 29 2HG1 ILE 29 -4.906 -0.155 -9.974 183 1HG2 ILE 29 1HG2 ILE 29 -1.562 -0.687 -11.457 184 2HG2 ILE 29 2HG2 ILE 29 -2.858 -1.537 -12.335 185 3HG2 ILE 29 3HG2 ILE 29 -3.130 0.101 -11.738 186 1HD1 ILE 29 1HD1 ILE 29 -5.351 -2.842 -11.338 187 2HD1 ILE 29 2HD1 ILE 29 -6.594 -1.637 -10.962 188 3HD1 ILE 29 3HD1 ILE 29 -5.327 -1.252 -12.136 189 H VAL 30 H VAL 30 -1.435 -4.389 -11.705 190 HA VAL 30 HA VAL 30 1.066 -4.605 -10.361 191 HB VAL 30 HB VAL 30 1.830 -5.207 -12.750 192 1HG1 VAL 30 1HG1 VAL 30 -0.304 -6.859 -11.385 193 2HG1 VAL 30 2HG1 VAL 30 0.873 -7.460 -12.567 194 3HG1 VAL 30 3HG1 VAL 30 1.428 -6.843 -10.997 195 1HG2 VAL 30 1HG2 VAL 30 0.228 -5.828 -14.395 196 2HG2 VAL 30 2HG2 VAL 30 -1.129 -5.464 -13.328 197 3HG2 VAL 30 3HG2 VAL 30 -0.119 -4.149 -13.952 198 H ASN 31 H ASN 31 2.926 -3.440 -10.461 199 HA ASN 31 HA ASN 31 3.187 -1.106 -12.199 200 1HB ASN 31 1HB ASN 31 2.959 0.585 -10.491 201 2HB ASN 31 2HB ASN 31 1.493 -0.371 -10.540 202 1HD2 ASN 31 1HD2 ASN 31 0.912 -1.643 -8.674 203 2HD2 ASN 31 2HD2 ASN 31 1.757 -1.433 -7.172 204 H SER 32 H SER 32 4.746 -3.456 -10.360 205 HA SER 32 HA SER 32 6.730 -3.759 -9.393 206 1HB SER 32 1HB SER 32 7.584 -1.826 -11.559 207 2HB SER 32 2HB SER 32 8.674 -2.864 -10.620 208 HG SER 32 HG SER 32 8.274 -4.341 -11.951 209 H SER 33 H SER 33 5.635 -2.532 -7.582 210 HA SER 33 HA SER 33 7.839 -1.509 -6.136 211 1HB SER 33 1HB SER 33 5.442 0.333 -6.539 212 2HB SER 33 2HB SER 33 6.391 0.329 -5.061 213 HG SER 33 HG SER 33 7.239 1.849 -6.256 214 H CYS 34 H CYS 34 4.445 -2.343 -6.456 215 HA CYS 34 HA CYS 34 3.307 -2.565 -4.132 216 1HB CYS 34 1HB CYS 34 2.213 -4.727 -5.042 217 2HB CYS 34 2HB CYS 34 2.136 -3.252 -6.003 218 H GLY 35 H GLY 35 3.617 -3.429 -2.128 219 1HA GLY 35 1HA GLY 35 4.415 -5.676 -1.156 220 2HA GLY 35 2HA GLY 35 6.000 -5.035 -1.681 221 H GLU 36 H GLU 36 6.049 -5.340 0.937 222 HA GLU 36 HA GLU 36 4.520 -3.580 2.528 223 1HB GLU 36 1HB GLU 36 5.932 -4.208 4.314 224 2HB GLU 36 2HB GLU 36 5.550 -5.614 3.301 225 1HG GLU 36 1HG GLU 36 7.870 -5.400 2.309 226 2HG GLU 36 2HG GLU 36 8.196 -4.136 3.510 227 H ILE 37 H ILE 37 7.644 -3.190 0.941 228 HA ILE 37 HA ILE 37 8.464 -0.754 2.147 229 HB ILE 37 HB ILE 37 8.927 -1.866 -0.592 230 1HG1 ILE 37 1HG1 ILE 37 10.624 -1.572 1.946 231 2HG1 ILE 37 2HG1 ILE 37 9.782 -3.047 1.485 232 1HG2 ILE 37 1HG2 ILE 37 10.129 0.636 0.750 233 2HG2 ILE 37 2HG2 ILE 37 10.772 -0.108 -0.722 234 3HG2 ILE 37 3HG2 ILE 37 9.175 0.626 -0.731 235 1HD1 ILE 37 1HD1 ILE 37 12.058 -1.720 0.047 236 2HD1 ILE 37 2HD1 ILE 37 12.002 -3.320 0.816 237 3HD1 ILE 37 3HD1 ILE 37 11.070 -3.018 -0.674 238 H CYS 38 H CYS 38 6.068 -1.302 -0.541 239 HA CYS 38 HA CYS 38 5.830 1.598 -0.956 240 1HB CYS 38 1HB CYS 38 5.483 -0.328 -2.671 241 2HB CYS 38 2HB CYS 38 3.877 -0.492 -1.958 242 H CYS 39 H CYS 39 4.096 -0.932 0.920 243 HA CYS 39 HA CYS 39 1.950 0.726 1.931 244 1HB CYS 39 1HB CYS 39 3.528 -1.413 3.390 245 2HB CYS 39 2HB CYS 39 1.905 -0.849 3.707 246 H ASN 40 H ASN 40 5.287 0.097 3.208 247 HA ASN 40 HA ASN 40 5.292 1.820 5.372 248 1HB ASN 40 1HB ASN 40 7.370 0.707 3.444 249 2HB ASN 40 2HB ASN 40 7.853 1.863 4.617 250 1HD2 ASN 40 1HD2 ASN 40 5.318 -0.240 5.746 251 2HD2 ASN 40 2HD2 ASN 40 6.397 -1.253 6.704 252 H ASP 41 H ASP 41 6.431 2.449 2.015 253 HA ASP 41 HA ASP 41 6.957 5.162 2.595 254 1HB ASP 41 1HB ASP 41 6.937 3.568 0.035 255 2HB ASP 41 2HB ASP 41 7.130 5.310 0.085 256 H CYS 42 H CYS 42 3.879 3.828 2.029 257 HA CYS 42 HA CYS 42 2.870 6.515 1.186 258 1HB CYS 42 1HB CYS 42 1.632 3.833 0.610 259 2HB CYS 42 2HB CYS 42 1.042 5.421 0.123 260 H PHE 43 H PHE 43 2.812 4.223 3.798 261 HA PHE 43 HA PHE 43 0.457 5.550 4.998 262 1HB PHE 43 1HB PHE 43 0.917 2.562 4.546 263 2HB PHE 43 2HB PHE 43 -0.205 3.193 5.751 264 HD1 PHE 43 HD1 PHE 43 -2.165 4.679 4.955 265 HD2 PHE 43 HD2 PHE 43 0.278 2.351 2.259 266 HE1 PHE 43 HE1 PHE 43 -3.904 4.885 3.161 267 HE2 PHE 43 HE2 PHE 43 -1.520 2.439 0.565 268 HZ PHE 43 HZ PHE 43 -3.609 3.703 1.025 269 H ASP 44 H ASP 44 0.433 5.419 7.319 270 HA ASP 44 HA ASP 44 2.965 5.483 8.608 271 1HB ASP 44 1HB ASP 44 0.122 5.301 9.578 272 2HB ASP 44 2HB ASP 44 1.340 4.849 10.714 273 H GLU 45 H GLU 45 3.563 3.995 10.378 274 HA GLU 45 HA GLU 45 4.009 1.350 9.488 275 1HB GLU 45 1HB GLU 45 5.191 2.696 11.383 276 2HB GLU 45 2HB GLU 45 3.919 2.031 12.411 277 1HG GLU 45 1HG GLU 45 4.774 -0.269 11.215 278 2HG GLU 45 2HG GLU 45 6.262 0.675 11.111 279 H THR 46 H THR 46 1.437 2.593 11.614 280 HA THR 46 HA THR 46 0.107 0.102 12.087 281 HB THR 46 HB THR 46 -0.893 2.984 12.162 282 HG1 THR 46 HG1 THR 46 0.145 1.360 14.241 283 1HG2 THR 46 1HG2 THR 46 -1.963 0.436 13.458 284 2HG2 THR 46 2HG2 THR 46 -2.483 2.083 13.886 285 3HG2 THR 46 3HG2 THR 46 -2.764 1.459 12.251 286 H GLY 47 H GLY 47 -0.607 2.825 9.798 287 1HA GLY 47 1HA GLY 47 -2.874 1.708 8.550 288 2HA GLY 47 2HA GLY 47 -1.777 2.895 7.835 289 H THR 48 H THR 48 0.595 1.305 7.897 290 HA THR 48 HA THR 48 0.519 -0.189 5.549 291 HB THR 48 HB THR 48 2.370 0.105 7.943 292 HG1 THR 48 HG1 THR 48 2.654 1.749 6.609 293 1HG2 THR 48 1HG2 THR 48 4.087 -1.184 7.045 294 2HG2 THR 48 2HG2 THR 48 2.718 -2.252 7.113 295 3HG2 THR 48 3HG2 THR 48 3.196 -1.554 5.552 296 H GLY 49 H GLY 49 0.031 -1.379 8.960 297 1HA GLY 49 1HA GLY 49 0.770 -4.003 8.284 298 2HA GLY 49 2HA GLY 49 -0.265 -3.567 9.665 299 H ALA 50 H ALA 50 -2.297 -2.412 7.763 300 HA ALA 50 HA ALA 50 -3.859 -4.787 7.058 301 1HB ALA 50 1HB ALA 50 -4.726 -2.447 7.784 302 2HB ALA 50 2HB ALA 50 -4.186 -1.890 6.199 303 3HB ALA 50 3HB ALA 50 -5.464 -3.132 6.319 304 H CYS 51 H CYS 51 -2.039 -2.214 5.341 305 HA CYS 51 HA CYS 51 -2.796 -2.890 2.721 306 1HB CYS 51 1HB CYS 51 -1.984 -0.717 3.663 307 2HB CYS 51 2HB CYS 51 -0.353 -1.387 3.710 308 H ARG 52 H ARG 52 -0.105 -3.827 4.887 309 HA ARG 52 HA ARG 52 1.330 -5.344 2.997 310 1HB ARG 52 1HB ARG 52 1.192 -5.661 6.024 311 2HB ARG 52 2HB ARG 52 2.212 -6.624 4.923 312 1HG ARG 52 1HG ARG 52 3.294 -4.565 4.098 313 2HG ARG 52 2HG ARG 52 2.246 -3.620 5.134 314 1HD ARG 52 1HD ARG 52 4.374 -3.697 6.189 315 2HD ARG 52 2HD ARG 52 3.261 -4.711 7.129 316 HE ARG 52 HE ARG 52 4.922 -6.100 5.098 317 1HH1 ARG 52 2HH2 ARG 52 5.028 -4.723 8.378 318 2HH1 ARG 52 1HH2 ARG 52 6.206 -5.836 8.934 319 1HH2 ARG 52 2HH1 ARG 52 6.480 -7.545 5.869 320 2HH2 ARG 52 1HH1 ARG 52 6.797 -7.718 7.565 321 H ALA 53 H ALA 53 -1.392 -6.313 5.211 322 HA ALA 53 HA ALA 53 -1.268 -9.053 4.433 323 1HB ALA 53 1HB ALA 53 -3.780 -7.454 5.100 324 2HB ALA 53 2HB ALA 53 -3.625 -9.216 5.065 325 3HB ALA 53 3HB ALA 53 -2.725 -8.276 6.284 326 H GLN 54 H GLN 54 -2.947 -6.272 2.913 327 HA GLN 54 HA GLN 54 -3.950 -7.809 0.715 328 1HB GLN 54 1HB GLN 54 -4.741 -5.515 1.627 329 2HB GLN 54 2HB GLN 54 -3.443 -4.853 0.713 330 1HG GLN 54 1HG GLN 54 -5.308 -4.617 -0.699 331 2HG GLN 54 2HG GLN 54 -4.513 -6.031 -1.361 332 1HE2 GLN 54 1HE2 GLN 54 -6.777 -6.292 -2.386 333 2HE2 GLN 54 2HE2 GLN 54 -7.923 -7.169 -1.391 334 H ALA 55 H ALA 55 -0.693 -6.845 1.339 335 HA ALA 55 HA ALA 55 -0.015 -7.189 -1.550 336 1HB ALA 55 1HB ALA 55 0.798 -5.088 -0.437 337 2HB ALA 55 2HB ALA 55 1.731 -6.096 0.693 338 3HB ALA 55 3HB ALA 55 2.100 -6.128 -1.042 339 H PHE 56 H PHE 56 0.064 -8.759 1.511 340 HA PHE 56 HA PHE 56 2.356 -10.458 0.933 341 1HB PHE 56 1HB PHE 56 1.853 -9.449 3.246 342 2HB PHE 56 2HB PHE 56 0.439 -10.432 3.302 343 HD1 PHE 56 HD1 PHE 56 0.734 -12.101 4.894 344 HD2 PHE 56 HD2 PHE 56 3.881 -11.460 2.017 345 HE1 PHE 56 HE1 PHE 56 1.985 -14.073 5.784 346 HE2 PHE 56 HE2 PHE 56 5.072 -13.401 2.870 347 HZ PHE 56 HZ PHE 56 4.165 -14.704 4.795 348 H GLY 57 H GLY 57 -1.065 -10.728 1.745 349 1HA GLY 57 1HA GLY 57 -1.294 -13.455 0.547 350 2HA GLY 57 2HA GLY 57 -1.984 -13.061 2.130 351 H ASN 58 H ASN 58 -1.870 -11.755 -1.182 352 HA ASN 58 HA ASN 58 -4.770 -11.715 -1.509 353 1HB ASN 58 1HB ASN 58 -4.381 -9.616 -0.342 354 2HB ASN 58 2HB ASN 58 -2.983 -9.307 -1.371 355 1HD2 ASN 58 1HD2 ASN 58 -3.468 -7.606 -2.744 356 2HD2 ASN 58 2HD2 ASN 58 -4.887 -7.597 -3.779 357 H SER 59 H SER 59 -2.406 -9.681 -3.281 358 HA SER 59 HA SER 59 -2.632 -11.632 -5.556 359 1HB SER 59 1HB SER 59 -4.042 -9.464 -5.356 360 2HB SER 59 2HB SER 59 -2.580 -8.646 -5.925 361 HG SER 59 HG SER 59 -4.379 -9.584 -7.384 362 H CYS 60 H CYS 60 -0.361 -9.081 -4.194 363 HA CYS 60 HA CYS 60 1.667 -9.615 -6.108 364 1HB CYS 60 1HB CYS 60 1.421 -7.799 -4.043 365 2HB CYS 60 2HB CYS 60 2.572 -8.932 -3.364 366 H LEU 61 H LEU 61 3.039 -11.323 -6.298 367 HA LEU 61 HA LEU 61 2.684 -13.632 -4.693 368 1HB LEU 61 1HB LEU 61 4.591 -12.804 -6.840 369 2HB LEU 61 2HB LEU 61 5.280 -13.896 -5.673 370 HG LEU 61 HG LEU 61 4.442 -15.174 -7.513 371 1HD1 LEU 61 1HD1 LEU 61 3.036 -16.795 -6.417 372 2HD1 LEU 61 2HD1 LEU 61 4.300 -16.246 -5.350 373 3HD1 LEU 61 3HD1 LEU 61 2.641 -15.664 -5.119 374 1HD2 LEU 61 1HD2 LEU 61 2.765 -13.671 -8.377 375 2HD2 LEU 61 2HD2 LEU 61 2.074 -15.258 -8.138 376 3HD2 LEU 61 3HD2 LEU 61 1.723 -13.931 -6.979 377 H ASN 62 H ASN 62 5.055 -10.964 -4.395 378 HA ASN 62 HA ASN 62 5.507 -11.880 -1.612 379 1HB ASN 62 1HB ASN 62 7.688 -10.994 -3.557 380 2HB ASN 62 2HB ASN 62 7.880 -11.134 -1.807 381 1HD2 ASN 62 1HD2 ASN 62 8.061 -12.881 -4.758 382 2HD2 ASN 62 2HD2 ASN 62 7.958 -14.497 -4.046 383 H TRP 63 H TRP 63 5.364 -10.276 -0.217 384 HA TRP 63 HA TRP 63 4.881 -7.527 -1.000 385 1HB TRP 63 1HB TRP 63 4.966 -7.163 1.448 386 2HB TRP 63 2HB TRP 63 3.808 -8.389 0.981 387 HD1 TRP 63 HD1 TRP 63 7.004 -10.212 1.033 388 HE1 TRP 63 HE1 TRP 63 7.270 -11.511 3.161 389 HE3 TRP 63 HE3 TRP 63 3.434 -7.871 3.670 390 HZ2 TRP 63 HZ2 TRP 63 6.112 -11.397 5.901 391 HZ3 TRP 63 HZ3 TRP 63 3.019 -8.396 6.106 392 HH2 TRP 63 HH2 TRP 63 4.352 -10.217 7.194 Start of MODEL 17 1 1H THR 1 1H THR 1 -6.949 -2.487 10.717 2 HA THR 1 HA THR 1 -7.974 0.214 11.187 3 HB THR 1 HB THR 1 -5.344 -0.593 11.428 4 HG1 THR 1 HG1 THR 1 -6.055 1.122 12.415 5 1HG2 THR 1 1HG2 THR 1 -4.083 0.706 9.817 6 2HG2 THR 1 2HG2 THR 1 -4.966 -0.553 8.936 7 3HG2 THR 1 3HG2 THR 1 -5.528 1.139 8.928 8 H ASP 2 H ASP 2 -7.985 1.591 9.225 9 HA ASP 2 HA ASP 2 -8.420 0.123 6.659 10 1HB ASP 2 1HB ASP 2 -9.770 2.566 7.854 11 2HB ASP 2 2HB ASP 2 -9.870 2.188 6.153 12 HA PRO 3 HA PRO 3 -5.168 2.974 5.330 13 1HB PRO 3 1HB PRO 3 -5.801 3.411 2.686 14 2HB PRO 3 2HB PRO 3 -5.081 1.916 3.330 15 1HG PRO 3 1HG PRO 3 -7.984 2.497 2.684 16 2HG PRO 3 2HG PRO 3 -7.046 1.028 2.307 17 1HD PRO 3 1HD PRO 3 -8.750 1.234 4.474 18 2HD PRO 3 2HD PRO 3 -7.288 0.204 4.479 19 H GLU 4 H GLU 4 -8.497 3.782 5.052 20 HA GLU 4 HA GLU 4 -8.733 6.270 4.042 21 1HB GLU 4 1HB GLU 4 -10.497 4.690 4.890 22 2HB GLU 4 2HB GLU 4 -10.021 5.099 6.541 23 1HG GLU 4 1HG GLU 4 -11.711 6.568 6.488 24 2HG GLU 4 2HG GLU 4 -10.660 7.600 5.553 25 H GLU 5 H GLU 5 -7.439 5.492 7.288 26 HA GLU 5 HA GLU 5 -7.196 8.367 7.936 27 1HB GLU 5 1HB GLU 5 -7.985 7.895 10.060 28 2HB GLU 5 2HB GLU 5 -9.035 6.988 8.955 29 1HG GLU 5 1HG GLU 5 -7.951 4.931 9.469 30 2HG GLU 5 2HG GLU 5 -6.849 5.826 10.564 31 H HIS 6 H HIS 6 -5.232 6.355 6.701 32 HA HIS 6 HA HIS 6 -3.068 6.644 8.712 33 1HB HIS 6 1HB HIS 6 -4.008 4.155 7.289 34 2HB HIS 6 2HB HIS 6 -2.382 4.317 7.948 35 HD1 HIS 6 HD1 HIS 6 -2.083 4.567 10.516 36 HD2 HIS 6 HD2 HIS 6 -6.041 4.251 9.201 37 HE1 HIS 6 HE1 HIS 6 -3.529 4.270 12.642 38 H PHE 7 H PHE 7 -3.582 8.300 6.375 39 HA PHE 7 HA PHE 7 -1.512 7.573 4.441 40 1HB PHE 7 1HB PHE 7 -3.779 8.569 3.918 41 2HB PHE 7 2HB PHE 7 -3.234 10.072 4.650 42 HD1 PHE 7 HD1 PHE 7 -4.231 10.610 2.278 43 HD2 PHE 7 HD2 PHE 7 -0.368 8.746 2.850 44 HE1 PHE 7 HE1 PHE 7 -3.535 11.332 0.031 45 HE2 PHE 7 HE2 PHE 7 0.272 9.375 0.611 46 HZ PHE 7 HZ PHE 7 -1.188 10.779 -0.755 47 H ASP 8 H ASP 8 0.605 7.905 5.195 48 HA ASP 8 HA ASP 8 1.296 10.635 5.745 49 1HB ASP 8 1HB ASP 8 1.412 8.756 7.947 50 2HB ASP 8 2HB ASP 8 3.052 9.225 7.496 51 HA PRO 9 HA PRO 9 3.711 8.387 2.579 52 1HB PRO 9 1HB PRO 9 3.842 10.419 0.759 53 2HB PRO 9 2HB PRO 9 2.453 9.312 0.920 54 1HG PRO 9 1HG PRO 9 2.842 12.102 1.942 55 2HG PRO 9 2HG PRO 9 1.352 11.422 1.255 56 1HD PRO 9 1HD PRO 9 1.900 11.732 3.981 57 2HD PRO 9 2HD PRO 9 0.753 10.543 3.344 58 H ASN 10 H ASN 10 5.830 8.345 2.400 59 HA ASN 10 HA ASN 10 7.583 10.506 3.371 60 1HB ASN 10 1HB ASN 10 8.373 8.156 1.630 61 2HB ASN 10 2HB ASN 10 9.434 9.185 2.585 62 1HD2 ASN 10 1HD2 ASN 10 9.453 6.307 2.782 63 2HD2 ASN 10 2HD2 ASN 10 8.755 5.864 4.313 64 H THR 11 H THR 11 9.260 11.214 1.532 65 HA THR 11 HA THR 11 7.801 12.358 -0.714 66 HB THR 11 HB THR 11 10.090 13.260 -1.156 67 HG1 THR 11 HG1 THR 11 11.629 12.935 0.279 68 1HG2 THR 11 1HG2 THR 11 8.346 14.562 -0.028 69 2HG2 THR 11 2HG2 THR 11 8.752 13.822 1.537 70 3HG2 THR 11 3HG2 THR 11 9.915 14.889 0.724 71 H ASN 12 H ASN 12 8.276 9.327 -0.379 72 HA ASN 12 HA ASN 12 9.591 8.683 -2.950 73 1HB ASN 12 1HB ASN 12 8.491 6.969 -0.710 74 2HB ASN 12 2HB ASN 12 9.159 6.315 -2.216 75 1HD2 ASN 12 1HD2 ASN 12 10.459 5.286 -0.071 76 2HD2 ASN 12 2HD2 ASN 12 11.912 6.177 0.283 77 H CYS 13 H CYS 13 6.452 8.556 -1.246 78 HA CYS 13 HA CYS 13 4.865 7.362 -3.123 79 1HB CYS 13 1HB CYS 13 4.317 7.835 -0.829 80 2HB CYS 13 2HB CYS 13 4.298 9.561 -1.109 81 H ASP 14 H ASP 14 2.864 8.736 -4.029 82 HA ASP 14 HA ASP 14 3.644 11.093 -5.594 83 1HB ASP 14 1HB ASP 14 2.742 8.473 -6.883 84 2HB ASP 14 2HB ASP 14 2.671 10.037 -7.683 85 H TYR 15 H TYR 15 1.102 8.609 -5.686 86 HA TYR 15 HA TYR 15 -1.074 10.203 -6.143 87 1HB TYR 15 1HB TYR 15 -0.935 7.594 -4.602 88 2HB TYR 15 2HB TYR 15 -2.411 8.291 -5.267 89 HD1 TYR 15 HD1 TYR 15 0.571 6.310 -6.029 90 HD2 TYR 15 HD2 TYR 15 -2.675 8.590 -7.721 91 HE1 TYR 15 HE1 TYR 15 1.059 5.347 -8.245 92 HE2 TYR 15 HE2 TYR 15 -2.134 7.721 -9.969 93 HH TYR 15 HH TYR 15 -0.924 5.370 -10.796 94 H THR 16 H THR 16 -2.792 10.988 -4.996 95 HA THR 16 HA THR 16 -2.308 11.672 -2.152 96 HB THR 16 HB THR 16 -3.400 13.855 -2.713 97 HG1 THR 16 HG1 THR 16 -3.286 12.819 -5.288 98 1HG2 THR 16 1HG2 THR 16 -0.708 13.338 -4.007 99 2HG2 THR 16 2HG2 THR 16 -1.343 14.858 -3.321 100 3HG2 THR 16 3HG2 THR 16 -0.989 13.500 -2.257 101 H ASN 17 H ASN 17 -3.841 9.398 -3.165 102 HA ASN 17 HA ASN 17 -6.089 9.959 -1.487 103 1HB ASN 17 1HB ASN 17 -7.327 8.454 -3.616 104 2HB ASN 17 2HB ASN 17 -7.863 9.900 -2.795 105 1HD2 ASN 17 1HD2 ASN 17 -5.485 8.842 -5.106 106 2HD2 ASN 17 2HD2 ASN 17 -5.719 10.089 -6.336 107 H SER 18 H SER 18 -6.405 8.318 -0.212 108 HA SER 18 HA SER 18 -4.679 6.262 0.070 109 1HB SER 18 1HB SER 18 -6.705 5.173 1.408 110 2HB SER 18 2HB SER 18 -5.885 6.642 1.968 111 HG SER 18 HG SER 18 -7.530 7.900 1.274 112 H GLN 19 H GLN 19 -7.878 5.801 -1.614 113 HA GLN 19 HA GLN 19 -7.535 3.006 -1.816 114 1HB GLN 19 1HB GLN 19 -9.598 4.648 -2.209 115 2HB GLN 19 2HB GLN 19 -9.154 4.450 -3.895 116 1HG GLN 19 1HG GLN 19 -9.717 2.133 -2.002 117 2HG GLN 19 2HG GLN 19 -10.972 2.945 -2.920 118 1HE2 GLN 19 1HE2 GLN 19 -9.394 0.135 -2.985 119 2HE2 GLN 19 2HE2 GLN 19 -8.900 -0.026 -4.639 120 H ASP 20 H ASP 20 -6.317 5.544 -3.921 121 HA ASP 20 HA ASP 20 -5.535 3.884 -6.231 122 1HB ASP 20 1HB ASP 20 -4.890 6.762 -5.303 123 2HB ASP 20 2HB ASP 20 -4.276 6.063 -6.751 124 H ALA 21 H ALA 21 -3.570 5.661 -3.725 125 HA ALA 21 HA ALA 21 -1.182 4.295 -4.347 126 1HB ALA 21 1HB ALA 21 -2.176 5.330 -1.660 127 2HB ALA 21 2HB ALA 21 -0.500 4.825 -1.999 128 3HB ALA 21 3HB ALA 21 -1.189 6.209 -2.852 129 H TRP 22 H TRP 22 -3.830 3.311 -2.156 130 HA TRP 22 HA TRP 22 -2.688 0.986 -1.066 131 1HB TRP 22 1HB TRP 22 -4.731 1.972 -0.218 132 2HB TRP 22 2HB TRP 22 -5.565 1.689 -1.734 133 HD1 TRP 22 HD1 TRP 22 -6.441 -0.761 -2.223 134 HE1 TRP 22 HE1 TRP 22 -7.027 -2.709 -0.667 135 HE3 TRP 22 HE3 TRP 22 -3.816 0.718 1.914 136 HZ2 TRP 22 HZ2 TRP 22 -6.611 -3.385 2.146 137 HZ3 TRP 22 HZ3 TRP 22 -4.126 -0.459 4.072 138 HH2 TRP 22 HH2 TRP 22 -5.485 -2.521 4.183 139 H ASP 23 H ASP 23 -5.002 1.085 -3.921 140 HA ASP 23 HA ASP 23 -4.820 -1.644 -4.476 141 1HB ASP 23 1HB ASP 23 -5.466 0.777 -6.151 142 2HB ASP 23 2HB ASP 23 -5.271 -0.783 -6.922 143 H TYR 24 H TYR 24 -2.635 0.908 -5.491 144 HA TYR 24 HA TYR 24 -1.140 -0.738 -7.327 145 1HB TYR 24 1HB TYR 24 -0.757 1.951 -5.999 146 2HB TYR 24 2HB TYR 24 0.519 1.210 -6.917 147 HD1 TYR 24 HD1 TYR 24 -3.287 1.875 -7.450 148 HD2 TYR 24 HD2 TYR 24 0.754 1.878 -9.082 149 HE1 TYR 24 HE1 TYR 24 -4.095 2.901 -9.488 150 HE2 TYR 24 HE2 TYR 24 -0.102 2.956 -11.127 151 HH TYR 24 HH TYR 24 -3.417 4.238 -11.282 152 H CYS 25 H CYS 25 -0.485 0.397 -3.964 153 HA CYS 25 HA CYS 25 1.836 -1.104 -3.448 154 1HB CYS 25 1HB CYS 25 -0.399 -0.185 -1.609 155 2HB CYS 25 2HB CYS 25 1.089 -0.912 -1.027 156 H THR 26 H THR 26 -1.588 -2.172 -3.212 157 HA THR 26 HA THR 26 -1.000 -4.683 -1.876 158 HB THR 26 HB THR 26 -3.317 -4.978 -1.885 159 HG1 THR 26 HG1 THR 26 -4.673 -3.441 -2.954 160 1HG2 THR 26 1HG2 THR 26 -2.636 -2.111 -1.194 161 2HG2 THR 26 2HG2 THR 26 -3.995 -3.055 -0.621 162 3HG2 THR 26 3HG2 THR 26 -2.321 -3.522 -0.233 163 H ASN 27 H ASN 27 -0.479 -3.710 -5.009 164 HA ASN 27 HA ASN 27 -0.113 -4.645 -6.979 165 1HB ASN 27 1HB ASN 27 1.239 -6.356 -5.590 166 2HB ASN 27 2HB ASN 27 -0.145 -7.428 -5.800 167 1HD2 ASN 27 1HD2 ASN 27 -0.088 -8.698 -7.713 168 2HD2 ASN 27 2HD2 ASN 27 0.782 -8.218 -9.147 169 H TYR 28 H TYR 28 -2.886 -4.445 -5.724 170 HA TYR 28 HA TYR 28 -4.631 -6.177 -7.240 171 1HB TYR 28 1HB TYR 28 -5.170 -4.648 -5.272 172 2HB TYR 28 2HB TYR 28 -4.967 -3.284 -6.356 173 HD1 TYR 28 HD1 TYR 28 -7.026 -6.317 -5.780 174 HD2 TYR 28 HD2 TYR 28 -6.726 -2.455 -7.636 175 HE1 TYR 28 HE1 TYR 28 -9.482 -6.316 -6.166 176 HE2 TYR 28 HE2 TYR 28 -9.102 -2.429 -8.087 177 HH TYR 28 HH TYR 28 -11.114 -3.428 -7.577 178 H ILE 29 H ILE 29 -2.739 -3.212 -7.789 179 HA ILE 29 HA ILE 29 -3.262 -3.360 -10.720 180 HB ILE 29 HB ILE 29 -2.791 -1.005 -8.867 181 1HG1 ILE 29 1HG1 ILE 29 -5.076 -1.970 -8.898 182 2HG1 ILE 29 2HG1 ILE 29 -5.012 -0.330 -9.406 183 1HG2 ILE 29 1HG2 ILE 29 -3.134 0.387 -10.961 184 2HG2 ILE 29 2HG2 ILE 29 -1.580 -0.445 -10.844 185 3HG2 ILE 29 3HG2 ILE 29 -2.854 -1.089 -11.892 186 1HD1 ILE 29 1HD1 ILE 29 -5.261 -1.073 -11.791 187 2HD1 ILE 29 2HD1 ILE 29 -5.314 -2.761 -11.237 188 3HD1 ILE 29 3HD1 ILE 29 -6.584 -1.628 -10.763 189 H VAL 30 H VAL 30 -1.600 -4.320 -11.641 190 HA VAL 30 HA VAL 30 0.887 -4.733 -10.318 191 HB VAL 30 HB VAL 30 1.359 -5.671 -12.814 192 1HG1 VAL 30 1HG1 VAL 30 0.590 -7.839 -11.900 193 2HG1 VAL 30 2HG1 VAL 30 1.520 -6.872 -10.736 194 3HG1 VAL 30 3HG1 VAL 30 -0.259 -6.962 -10.600 195 1HG2 VAL 30 1HG2 VAL 30 -0.619 -6.727 -13.731 196 2HG2 VAL 30 2HG2 VAL 30 -1.661 -6.009 -12.511 197 3HG2 VAL 30 3HG2 VAL 30 -0.876 -4.977 -13.727 198 H ASN 31 H ASN 31 2.188 -3.151 -10.057 199 HA ASN 31 HA ASN 31 3.146 -1.388 -12.268 200 1HB ASN 31 1HB ASN 31 3.099 0.498 -10.800 201 2HB ASN 31 2HB ASN 31 1.494 -0.217 -10.791 202 1HD2 ASN 31 1HD2 ASN 31 0.752 -1.304 -8.754 203 2HD2 ASN 31 2HD2 ASN 31 1.651 -0.995 -7.282 204 H SER 32 H SER 32 3.993 -3.607 -9.825 205 HA SER 32 HA SER 32 5.908 -4.528 -9.261 206 1HB SER 32 1HB SER 32 7.196 -2.786 -11.381 207 2HB SER 32 2HB SER 32 7.982 -4.121 -10.537 208 HG SER 32 HG SER 32 7.060 -4.526 -12.620 209 H SER 33 H SER 33 5.226 -1.464 -8.205 210 HA SER 33 HA SER 33 7.776 -1.316 -6.658 211 1HB SER 33 1HB SER 33 5.434 0.597 -6.744 212 2HB SER 33 2HB SER 33 6.996 0.848 -5.949 213 HG SER 33 HG SER 33 6.659 1.748 -8.147 214 H CYS 34 H CYS 34 4.809 -2.864 -6.424 215 HA CYS 34 HA CYS 34 3.761 -2.300 -3.929 216 1HB CYS 34 1HB CYS 34 2.560 -4.474 -4.343 217 2HB CYS 34 2HB CYS 34 2.541 -3.356 -5.706 218 H GLY 35 H GLY 35 3.388 -3.825 -2.081 219 1HA GLY 35 1HA GLY 35 4.270 -5.759 -0.850 220 2HA GLY 35 2HA GLY 35 5.896 -5.173 -1.222 221 H GLU 36 H GLU 36 6.053 -5.206 1.195 222 HA GLU 36 HA GLU 36 4.434 -3.478 2.810 223 1HB GLU 36 1HB GLU 36 5.700 -3.977 4.601 224 2HB GLU 36 2HB GLU 36 5.854 -5.450 3.618 225 1HG GLU 36 1HG GLU 36 8.174 -4.870 3.098 226 2HG GLU 36 2HG GLU 36 8.003 -3.282 3.883 227 H ILE 37 H ILE 37 7.565 -3.135 1.128 228 HA ILE 37 HA ILE 37 8.554 -0.851 2.280 229 HB ILE 37 HB ILE 37 8.902 -1.832 -0.555 230 1HG1 ILE 37 1HG1 ILE 37 11.086 -2.582 1.039 231 2HG1 ILE 37 2HG1 ILE 37 9.732 -2.935 2.058 232 1HG2 ILE 37 1HG2 ILE 37 9.782 0.445 -0.290 233 2HG2 ILE 37 2HG2 ILE 37 10.781 -0.104 1.076 234 3HG2 ILE 37 3HG2 ILE 37 11.047 -0.745 -0.554 235 1HD1 ILE 37 1HD1 ILE 37 8.695 -4.289 0.216 236 2HD1 ILE 37 2HD1 ILE 37 10.100 -3.921 -0.811 237 3HD1 ILE 37 3HD1 ILE 37 10.305 -4.884 0.660 238 H CYS 38 H CYS 38 6.520 -1.147 -0.683 239 HA CYS 38 HA CYS 38 6.312 1.632 -1.167 240 1HB CYS 38 1HB CYS 38 5.541 -0.547 -2.519 241 2HB CYS 38 2HB CYS 38 3.999 -0.225 -1.781 242 H CYS 39 H CYS 39 4.242 -0.523 0.836 243 HA CYS 39 HA CYS 39 2.337 1.574 1.457 244 1HB CYS 39 1HB CYS 39 2.115 -1.015 1.933 245 2HB CYS 39 2HB CYS 39 2.994 -0.614 3.411 246 H ASN 40 H ASN 40 5.392 0.504 2.968 247 HA ASN 40 HA ASN 40 5.353 2.305 5.145 248 1HB ASN 40 1HB ASN 40 7.337 0.561 3.799 249 2HB ASN 40 2HB ASN 40 8.059 2.029 4.410 250 1HD2 ASN 40 1HD2 ASN 40 5.401 -0.063 5.673 251 2HD2 ASN 40 2HD2 ASN 40 6.263 -0.499 7.145 252 H ASP 41 H ASP 41 5.985 2.817 1.737 253 HA ASP 41 HA ASP 41 7.195 5.413 2.037 254 1HB ASP 41 1HB ASP 41 8.103 5.054 0.108 255 2HB ASP 41 2HB ASP 41 7.556 3.419 0.225 256 H CYS 42 H CYS 42 3.952 4.220 1.413 257 HA CYS 42 HA CYS 42 3.054 7.021 0.884 258 1HB CYS 42 1HB CYS 42 1.524 4.475 0.372 259 2HB CYS 42 2HB CYS 42 1.109 6.115 -0.117 260 H PHE 43 H PHE 43 2.888 4.698 3.474 261 HA PHE 43 HA PHE 43 0.496 6.007 4.652 262 1HB PHE 43 1HB PHE 43 1.028 3.049 4.168 263 2HB PHE 43 2HB PHE 43 -0.182 3.632 5.305 264 HD1 PHE 43 HD1 PHE 43 -2.262 4.757 4.500 265 HD2 PHE 43 HD2 PHE 43 0.575 2.974 1.780 266 HE1 PHE 43 HE1 PHE 43 -3.938 4.827 2.697 267 HE2 PHE 43 HE2 PHE 43 -1.131 2.953 0.003 268 HZ PHE 43 HZ PHE 43 -3.393 3.905 0.440 269 H ASP 44 H ASP 44 0.377 5.539 7.017 270 HA ASP 44 HA ASP 44 3.004 5.364 8.263 271 1HB ASP 44 1HB ASP 44 1.905 5.439 10.412 272 2HB ASP 44 2HB ASP 44 1.357 6.715 9.394 273 H GLU 45 H GLU 45 3.285 3.822 10.147 274 HA GLU 45 HA GLU 45 3.570 1.220 9.124 275 1HB GLU 45 1HB GLU 45 4.847 2.424 10.998 276 2HB GLU 45 2HB GLU 45 3.515 1.897 12.052 277 1HG GLU 45 1HG GLU 45 3.964 -0.471 11.303 278 2HG GLU 45 2HG GLU 45 5.355 0.102 10.406 279 H THR 46 H THR 46 0.851 2.738 10.776 280 HA THR 46 HA THR 46 -0.198 0.094 11.702 281 HB THR 46 HB THR 46 -1.455 2.854 11.931 282 HG1 THR 46 HG1 THR 46 -0.004 2.959 13.367 283 1HG2 THR 46 1HG2 THR 46 -3.204 1.164 11.965 284 2HG2 THR 46 2HG2 THR 46 -2.299 0.205 13.155 285 3HG2 THR 46 3HG2 THR 46 -2.944 1.799 13.586 286 H GLY 47 H GLY 47 -1.020 2.657 9.339 287 1HA GLY 47 1HA GLY 47 -3.039 1.454 7.780 288 2HA GLY 47 2HA GLY 47 -1.717 2.452 7.167 289 H THR 48 H THR 48 0.520 1.084 7.678 290 HA THR 48 HA THR 48 0.625 -0.687 5.559 291 HB THR 48 HB THR 48 2.633 -0.450 7.826 292 HG1 THR 48 HG1 THR 48 2.284 1.523 6.697 293 1HG2 THR 48 1HG2 THR 48 2.637 -1.835 5.141 294 2HG2 THR 48 2HG2 THR 48 4.112 -1.092 5.709 295 3HG2 THR 48 3HG2 THR 48 3.340 -2.357 6.693 296 H GLY 49 H GLY 49 0.412 -1.755 9.045 297 1HA GLY 49 1HA GLY 49 0.621 -4.469 8.383 298 2HA GLY 49 2HA GLY 49 -0.197 -3.861 9.810 299 H ALA 50 H ALA 50 -2.073 -2.452 7.579 300 HA ALA 50 HA ALA 50 -3.933 -4.748 7.105 301 1HB ALA 50 1HB ALA 50 -4.858 -2.605 7.974 302 2HB ALA 50 2HB ALA 50 -4.174 -1.747 6.560 303 3HB ALA 50 3HB ALA 50 -5.450 -2.968 6.349 304 H CYS 51 H CYS 51 -2.158 -2.198 5.253 305 HA CYS 51 HA CYS 51 -3.055 -3.023 2.719 306 1HB CYS 51 1HB CYS 51 -2.025 -0.838 3.334 307 2HB CYS 51 2HB CYS 51 -0.492 -1.690 3.552 308 H ARG 52 H ARG 52 -0.219 -3.883 4.739 309 HA ARG 52 HA ARG 52 1.089 -5.434 2.870 310 1HB ARG 52 1HB ARG 52 0.936 -5.959 5.854 311 2HB ARG 52 2HB ARG 52 1.967 -6.780 4.664 312 1HG ARG 52 1HG ARG 52 3.007 -4.541 4.102 313 2HG ARG 52 2HG ARG 52 2.070 -3.917 5.445 314 1HD ARG 52 1HD ARG 52 4.222 -4.394 6.330 315 2HD ARG 52 2HD ARG 52 3.046 -5.540 6.987 316 HE ARG 52 HE ARG 52 4.140 -6.769 4.733 317 1HH1 ARG 52 2HH2 ARG 52 5.224 -5.754 7.937 318 2HH1 ARG 52 1HH2 ARG 52 6.794 -6.493 7.789 319 1HH2 ARG 52 2HH1 ARG 52 6.140 -7.913 4.601 320 2HH2 ARG 52 1HH1 ARG 52 7.385 -7.380 5.646 321 H ALA 53 H ALA 53 -1.668 -6.438 5.012 322 HA ALA 53 HA ALA 53 -1.506 -9.242 4.321 323 1HB ALA 53 1HB ALA 53 -2.962 -8.404 6.157 324 2HB ALA 53 2HB ALA 53 -3.992 -7.574 4.974 325 3HB ALA 53 3HB ALA 53 -3.870 -9.344 4.958 326 H GLN 54 H GLN 54 -3.344 -6.487 2.972 327 HA GLN 54 HA GLN 54 -4.221 -7.847 0.643 328 1HB GLN 54 1HB GLN 54 -4.870 -5.465 1.683 329 2HB GLN 54 2HB GLN 54 -3.664 -4.909 0.611 330 1HG GLN 54 1HG GLN 54 -5.813 -4.756 -0.496 331 2HG GLN 54 2HG GLN 54 -4.921 -6.050 -1.276 332 1HE2 GLN 54 1HE2 GLN 54 -7.425 -6.727 -1.924 333 2HE2 GLN 54 2HE2 GLN 54 -7.965 -7.922 -0.760 334 H ALA 55 H ALA 55 -0.961 -7.038 1.365 335 HA ALA 55 HA ALA 55 -0.275 -7.216 -1.502 336 1HB ALA 55 1HB ALA 55 1.670 -5.849 -1.071 337 2HB ALA 55 2HB ALA 55 0.327 -5.004 -0.266 338 3HB ALA 55 3HB ALA 55 1.466 -5.977 0.679 339 H PHE 56 H PHE 56 -0.488 -9.191 1.091 340 HA PHE 56 HA PHE 56 2.181 -10.453 0.759 341 1HB PHE 56 1HB PHE 56 1.552 -9.626 3.029 342 2HB PHE 56 2HB PHE 56 0.191 -10.697 3.026 343 HD1 PHE 56 HD1 PHE 56 0.724 -12.032 4.866 344 HD2 PHE 56 HD2 PHE 56 3.691 -11.656 1.756 345 HE1 PHE 56 HE1 PHE 56 2.046 -13.892 5.862 346 HE2 PHE 56 HE2 PHE 56 4.951 -13.486 2.732 347 HZ PHE 56 HZ PHE 56 4.163 -14.623 4.796 348 H GLY 57 H GLY 57 -1.128 -11.487 1.736 349 1HA GLY 57 1HA GLY 57 -0.776 -13.956 0.187 350 2HA GLY 57 2HA GLY 57 -2.011 -13.630 1.392 351 H ASN 58 H ASN 58 -2.388 -10.972 -0.234 352 HA ASN 58 HA ASN 58 -4.803 -11.827 -1.560 353 1HB ASN 58 1HB ASN 58 -4.806 -9.755 -0.402 354 2HB ASN 58 2HB ASN 58 -3.325 -9.245 -1.242 355 1HD2 ASN 58 1HD2 ASN 58 -3.811 -7.511 -2.620 356 2HD2 ASN 58 2HD2 ASN 58 -5.225 -7.483 -3.657 357 H SER 59 H SER 59 -2.602 -9.546 -3.224 358 HA SER 59 HA SER 59 -2.783 -11.271 -5.671 359 1HB SER 59 1HB SER 59 -3.599 -8.487 -5.104 360 2HB SER 59 2HB SER 59 -2.504 -8.604 -6.451 361 HG SER 59 HG SER 59 -4.935 -10.090 -6.093 362 H CYS 60 H CYS 60 -0.450 -10.113 -3.521 363 HA CYS 60 HA CYS 60 1.477 -9.509 -5.707 364 1HB CYS 60 1HB CYS 60 1.057 -7.943 -3.696 365 2HB CYS 60 2HB CYS 60 2.022 -9.132 -2.780 366 H LEU 61 H LEU 61 3.405 -10.737 -5.793 367 HA LEU 61 HA LEU 61 3.067 -13.486 -5.011 368 1HB LEU 61 1HB LEU 61 4.458 -12.216 -6.994 369 2HB LEU 61 2HB LEU 61 5.762 -12.437 -5.854 370 HG LEU 61 HG LEU 61 5.797 -14.252 -7.367 371 1HD1 LEU 61 1HD1 LEU 61 6.145 -14.855 -4.961 372 2HD1 LEU 61 2HD1 LEU 61 4.463 -15.433 -4.906 373 3HD1 LEU 61 3HD1 LEU 61 5.634 -16.202 -5.975 374 1HD2 LEU 61 1HD2 LEU 61 2.869 -14.838 -6.775 375 2HD2 LEU 61 2HD2 LEU 61 3.481 -13.962 -8.197 376 3HD2 LEU 61 3HD2 LEU 61 3.927 -15.654 -7.951 377 H ASN 62 H ASN 62 5.057 -10.757 -3.810 378 HA ASN 62 HA ASN 62 5.446 -12.045 -1.239 379 1HB ASN 62 1HB ASN 62 7.815 -11.428 -1.209 380 2HB ASN 62 2HB ASN 62 7.519 -12.706 -2.382 381 1HD2 ASN 62 1HD2 ASN 62 7.507 -12.043 -4.725 382 2HD2 ASN 62 2HD2 ASN 62 8.287 -10.556 -5.217 383 H TRP 63 H TRP 63 5.259 -10.479 0.300 384 HA TRP 63 HA TRP 63 4.668 -7.741 -0.459 385 1HB TRP 63 1HB TRP 63 4.570 -7.401 2.005 386 2HB TRP 63 2HB TRP 63 3.489 -8.651 1.441 387 HD1 TRP 63 HD1 TRP 63 6.744 -10.321 1.724 388 HE1 TRP 63 HE1 TRP 63 6.937 -11.599 3.875 389 HE3 TRP 63 HE3 TRP 63 2.777 -8.446 4.072 390 HZ2 TRP 63 HZ2 TRP 63 5.864 -11.342 6.634 391 HZ3 TRP 63 HZ3 TRP 63 2.427 -8.710 6.568 392 HH2 TRP 63 HH2 TRP 63 4.027 -10.162 7.852 Start of MODEL 18 1 1H THR 1 1H THR 1 -5.676 -2.992 11.198 2 HA THR 1 HA THR 1 -7.619 -1.295 11.118 3 HB THR 1 HB THR 1 -5.196 -0.816 11.722 4 HG1 THR 1 HG1 THR 1 -5.774 1.506 11.362 5 1HG2 THR 1 1HG2 THR 1 -3.986 0.662 10.198 6 2HG2 THR 1 2HG2 THR 1 -4.152 -0.939 9.455 7 3HG2 THR 1 3HG2 THR 1 -5.176 0.426 8.927 8 H ASP 2 H ASP 2 -7.545 0.795 9.395 9 HA ASP 2 HA ASP 2 -8.251 -0.307 6.718 10 1HB ASP 2 1HB ASP 2 -9.400 2.084 8.164 11 2HB ASP 2 2HB ASP 2 -9.864 1.549 6.550 12 HA PRO 3 HA PRO 3 -5.188 2.880 5.540 13 1HB PRO 3 1HB PRO 3 -5.826 3.209 2.886 14 2HB PRO 3 2HB PRO 3 -5.045 1.731 3.513 15 1HG PRO 3 1HG PRO 3 -7.968 2.220 2.987 16 2HG PRO 3 2HG PRO 3 -7.010 0.817 2.451 17 1HD PRO 3 1HD PRO 3 -8.592 0.788 4.709 18 2HD PRO 3 2HD PRO 3 -7.052 -0.123 4.617 19 H GLU 4 H GLU 4 -8.619 3.268 5.411 20 HA GLU 4 HA GLU 4 -9.049 5.755 4.310 21 1HB GLU 4 1HB GLU 4 -10.730 4.052 5.229 22 2HB GLU 4 2HB GLU 4 -10.224 4.517 6.857 23 1HG GLU 4 1HG GLU 4 -12.247 5.670 6.502 24 2HG GLU 4 2HG GLU 4 -11.047 6.917 6.241 25 H GLU 5 H GLU 5 -8.186 4.979 7.669 26 HA GLU 5 HA GLU 5 -8.109 7.830 8.415 27 1HB GLU 5 1HB GLU 5 -8.143 5.346 10.168 28 2HB GLU 5 2HB GLU 5 -8.271 7.026 10.710 29 1HG GLU 5 1HG GLU 5 -10.313 6.743 8.753 30 2HG GLU 5 2HG GLU 5 -10.342 5.237 9.660 31 H HIS 6 H HIS 6 -5.929 6.062 7.001 32 HA HIS 6 HA HIS 6 -3.640 6.866 8.714 33 1HB HIS 6 1HB HIS 6 -4.250 4.066 7.682 34 2HB HIS 6 2HB HIS 6 -2.672 4.603 8.245 35 HD1 HIS 6 HD1 HIS 6 -2.366 4.993 10.940 36 HD2 HIS 6 HD2 HIS 6 -6.211 3.856 9.544 37 HE1 HIS 6 HE1 HIS 6 -3.651 4.226 12.972 38 H PHE 7 H PHE 7 -3.009 8.426 7.241 39 HA PHE 7 HA PHE 7 -1.825 7.369 4.735 40 1HB PHE 7 1HB PHE 7 -3.955 9.151 4.792 41 2HB PHE 7 2HB PHE 7 -2.591 10.246 4.827 42 HD1 PHE 7 HD1 PHE 7 -4.905 9.570 2.741 43 HD2 PHE 7 HD2 PHE 7 -0.655 8.771 2.901 44 HE1 PHE 7 HE1 PHE 7 -4.824 9.457 0.290 45 HE2 PHE 7 HE2 PHE 7 -0.604 8.646 0.444 46 HZ PHE 7 HZ PHE 7 -2.665 8.884 -0.866 47 H ASP 8 H ASP 8 0.429 7.963 4.728 48 HA ASP 8 HA ASP 8 1.213 10.386 5.792 49 1HB ASP 8 1HB ASP 8 1.077 8.763 7.972 50 2HB ASP 8 2HB ASP 8 2.709 8.409 7.470 51 HA PRO 9 HA PRO 9 3.591 8.389 2.407 52 1HB PRO 9 1HB PRO 9 3.728 11.064 1.198 53 2HB PRO 9 2HB PRO 9 3.045 9.554 0.538 54 1HG PRO 9 1HG PRO 9 1.464 11.678 1.330 55 2HG PRO 9 2HG PRO 9 0.957 9.964 1.402 56 1HD PRO 9 1HD PRO 9 1.990 11.697 3.643 57 2HD PRO 9 2HD PRO 9 0.641 10.528 3.639 58 H ASN 10 H ASN 10 5.788 8.737 1.610 59 HA ASN 10 HA ASN 10 7.330 10.936 2.900 60 1HB ASN 10 1HB ASN 10 9.362 9.727 2.665 61 2HB ASN 10 2HB ASN 10 8.231 8.752 3.570 62 1HD2 ASN 10 1HD2 ASN 10 8.983 6.675 3.085 63 2HD2 ASN 10 2HD2 ASN 10 9.197 6.045 1.472 64 H THR 11 H THR 11 9.310 11.370 1.200 65 HA THR 11 HA THR 11 7.959 12.723 -0.918 66 HB THR 11 HB THR 11 10.286 13.375 -1.542 67 HG1 THR 11 HG1 THR 11 11.325 11.504 -0.583 68 1HG2 THR 11 1HG2 THR 11 10.604 14.810 0.419 69 2HG2 THR 11 2HG2 THR 11 8.886 14.706 0.026 70 3HG2 THR 11 3HG2 THR 11 9.534 13.779 1.393 71 H ASN 12 H ASN 12 9.161 9.479 -0.842 72 HA ASN 12 HA ASN 12 9.862 9.321 -3.684 73 1HB ASN 12 1HB ASN 12 9.277 6.982 -1.837 74 2HB ASN 12 2HB ASN 12 10.285 7.006 -3.270 75 1HD2 ASN 12 1HD2 ASN 12 11.890 9.425 -2.581 76 2HD2 ASN 12 2HD2 ASN 12 12.756 8.988 -1.105 77 H CYS 13 H CYS 13 7.008 9.224 -1.737 78 HA CYS 13 HA CYS 13 5.414 7.884 -3.830 79 1HB CYS 13 1HB CYS 13 5.410 7.989 -0.937 80 2HB CYS 13 2HB CYS 13 3.892 8.628 -1.490 81 H ASP 14 H ASP 14 3.428 8.983 -4.457 82 HA ASP 14 HA ASP 14 3.573 11.975 -4.345 83 1HB ASP 14 1HB ASP 14 3.097 10.360 -6.861 84 2HB ASP 14 2HB ASP 14 3.064 12.113 -6.719 85 H TYR 15 H TYR 15 1.654 9.016 -4.850 86 HA TYR 15 HA TYR 15 -0.762 10.258 -5.599 87 1HB TYR 15 1HB TYR 15 -0.245 7.553 -4.274 88 2HB TYR 15 2HB TYR 15 -1.817 8.111 -4.775 89 HD1 TYR 15 HD1 TYR 15 0.730 9.178 -7.186 90 HD2 TYR 15 HD2 TYR 15 -1.798 5.922 -5.936 91 HE1 TYR 15 HE1 TYR 15 0.864 8.205 -9.443 92 HE2 TYR 15 HE2 TYR 15 -1.724 4.976 -8.210 93 HH TYR 15 HH TYR 15 0.386 6.124 -10.766 94 H THR 16 H THR 16 -2.261 11.302 -4.528 95 HA THR 16 HA THR 16 -2.517 10.918 -1.576 96 HB THR 16 HB THR 16 -3.285 13.300 -1.471 97 HG1 THR 16 HG1 THR 16 -1.644 13.978 -3.553 98 1HG2 THR 16 1HG2 THR 16 -0.359 12.776 -2.160 99 2HG2 THR 16 2HG2 THR 16 -1.017 14.059 -1.115 100 3HG2 THR 16 3HG2 THR 16 -1.129 12.386 -0.612 101 H ASN 17 H ASN 17 -3.774 9.176 -3.067 102 HA ASN 17 HA ASN 17 -6.399 9.839 -2.056 103 1HB ASN 17 1HB ASN 17 -6.216 8.108 -4.497 104 2HB ASN 17 2HB ASN 17 -7.657 8.493 -3.585 105 1HD2 ASN 17 1HD2 ASN 17 -5.186 9.820 -5.693 106 2HD2 ASN 17 2HD2 ASN 17 -5.922 11.393 -5.909 107 H SER 18 H SER 18 -7.083 8.066 -0.859 108 HA SER 18 HA SER 18 -5.037 6.346 0.259 109 1HB SER 18 1HB SER 18 -7.156 5.396 1.471 110 2HB SER 18 2HB SER 18 -6.717 7.076 1.768 111 HG SER 18 HG SER 18 -8.885 6.943 1.325 112 H GLN 19 H GLN 19 -7.937 5.844 -1.672 113 HA GLN 19 HA GLN 19 -7.805 3.160 -2.174 114 1HB GLN 19 1HB GLN 19 -9.561 5.057 -2.709 115 2HB GLN 19 2HB GLN 19 -8.801 5.103 -4.286 116 1HG GLN 19 1HG GLN 19 -10.129 2.707 -2.939 117 2HG GLN 19 2HG GLN 19 -10.789 3.677 -4.259 118 1HE2 GLN 19 1HE2 GLN 19 -9.583 0.637 -3.803 119 2HE2 GLN 19 2HE2 GLN 19 -8.645 0.525 -5.265 120 H ASP 20 H ASP 20 -6.496 5.669 -4.496 121 HA ASP 20 HA ASP 20 -5.402 3.709 -6.310 122 1HB ASP 20 1HB ASP 20 -4.964 6.670 -5.847 123 2HB ASP 20 2HB ASP 20 -3.888 5.774 -6.896 124 H ALA 21 H ALA 21 -3.808 5.569 -3.593 125 HA ALA 21 HA ALA 21 -1.255 4.438 -3.952 126 1HB ALA 21 1HB ALA 21 -1.683 6.266 -2.385 127 2HB ALA 21 2HB ALA 21 -2.734 5.227 -1.406 128 3HB ALA 21 3HB ALA 21 -1.000 4.882 -1.509 129 H TRP 22 H TRP 22 -3.962 3.226 -1.909 130 HA TRP 22 HA TRP 22 -2.766 0.889 -0.987 131 1HB TRP 22 1HB TRP 22 -4.860 1.792 -0.129 132 2HB TRP 22 2HB TRP 22 -5.669 1.551 -1.661 133 HD1 TRP 22 HD1 TRP 22 -6.524 -0.897 -2.250 134 HE1 TRP 22 HE1 TRP 22 -7.156 -2.847 -0.759 135 HE3 TRP 22 HE3 TRP 22 -4.011 0.529 1.942 136 HZ2 TRP 22 HZ2 TRP 22 -6.711 -3.641 2.111 137 HZ3 TRP 22 HZ3 TRP 22 -4.262 -0.719 4.064 138 HH2 TRP 22 HH2 TRP 22 -5.529 -2.825 4.113 139 H ASP 23 H ASP 23 -4.825 1.304 -3.986 140 HA ASP 23 HA ASP 23 -4.757 -1.424 -4.730 141 1HB ASP 23 1HB ASP 23 -5.275 1.121 -6.288 142 2HB ASP 23 2HB ASP 23 -5.076 -0.394 -7.130 143 H TYR 24 H TYR 24 -2.468 1.226 -5.557 144 HA TYR 24 HA TYR 24 -0.970 -0.441 -7.339 145 1HB TYR 24 1HB TYR 24 -0.530 2.219 -5.983 146 2HB TYR 24 2HB TYR 24 0.810 1.422 -6.774 147 HD1 TYR 24 HD1 TYR 24 1.235 1.983 -8.990 148 HD2 TYR 24 HD2 TYR 24 -2.864 2.152 -7.581 149 HE1 TYR 24 HE1 TYR 24 0.481 2.799 -11.209 150 HE2 TYR 24 HE2 TYR 24 -3.582 2.992 -9.736 151 HH TYR 24 HH TYR 24 -2.600 4.206 -11.621 152 H CYS 25 H CYS 25 -0.582 0.459 -3.874 153 HA CYS 25 HA CYS 25 1.794 -0.933 -3.286 154 1HB CYS 25 1HB CYS 25 -0.642 -0.573 -1.494 155 2HB CYS 25 2HB CYS 25 0.959 -1.039 -0.946 156 H THR 26 H THR 26 -1.545 -2.124 -3.122 157 HA THR 26 HA THR 26 -0.807 -4.667 -1.918 158 HB THR 26 HB THR 26 -3.131 -5.038 -1.793 159 HG1 THR 26 HG1 THR 26 -3.555 -2.496 -2.982 160 1HG2 THR 26 1HG2 THR 26 -2.063 -3.686 -0.096 161 2HG2 THR 26 2HG2 THR 26 -2.318 -2.211 -0.992 162 3HG2 THR 26 3HG2 THR 26 -3.716 -3.075 -0.381 163 H ASN 27 H ASN 27 -0.331 -3.754 -4.986 164 HA ASN 27 HA ASN 27 -0.259 -4.683 -7.019 165 1HB ASN 27 1HB ASN 27 1.104 -6.388 -5.705 166 2HB ASN 27 2HB ASN 27 -0.351 -7.381 -5.612 167 1HD2 ASN 27 1HD2 ASN 27 -1.346 -7.910 -7.825 168 2HD2 ASN 27 2HD2 ASN 27 -0.156 -8.454 -9.044 169 H TYR 28 H TYR 28 -2.629 -3.728 -6.294 170 HA TYR 28 HA TYR 28 -4.710 -5.588 -7.310 171 1HB TYR 28 1HB TYR 28 -5.092 -3.835 -5.460 172 2HB TYR 28 2HB TYR 28 -4.881 -2.640 -6.722 173 HD1 TYR 28 HD1 TYR 28 -6.629 -1.948 -8.072 174 HD2 TYR 28 HD2 TYR 28 -7.025 -5.537 -5.721 175 HE1 TYR 28 HE1 TYR 28 -8.856 -2.193 -8.908 176 HE2 TYR 28 HE2 TYR 28 -9.341 -5.714 -6.321 177 HH TYR 28 HH TYR 28 -10.628 -4.997 -8.696 178 H ILE 29 H ILE 29 -3.069 -2.515 -8.061 179 HA ILE 29 HA ILE 29 -3.502 -2.927 -10.960 180 HB ILE 29 HB ILE 29 -2.685 -0.513 -9.318 181 1HG1 ILE 29 1HG1 ILE 29 -5.117 -1.353 -9.322 182 2HG1 ILE 29 2HG1 ILE 29 -4.823 0.311 -9.608 183 1HG2 ILE 29 1HG2 ILE 29 -2.954 0.717 -11.528 184 2HG2 ILE 29 2HG2 ILE 29 -1.510 -0.300 -11.394 185 3HG2 ILE 29 3HG2 ILE 29 -2.913 -0.870 -12.325 186 1HD1 ILE 29 1HD1 ILE 29 -6.594 -0.658 -11.066 187 2HD1 ILE 29 2HD1 ILE 29 -5.259 -0.028 -12.042 188 3HD1 ILE 29 3HD1 ILE 29 -5.411 -1.783 -11.760 189 H VAL 30 H VAL 30 -1.895 -4.227 -11.697 190 HA VAL 30 HA VAL 30 0.645 -4.536 -10.374 191 HB VAL 30 HB VAL 30 -0.537 -5.558 -12.923 192 1HG1 VAL 30 1HG1 VAL 30 1.761 -5.019 -13.661 193 2HG1 VAL 30 2HG1 VAL 30 2.432 -5.791 -12.213 194 3HG1 VAL 30 3HG1 VAL 30 1.585 -6.760 -13.435 195 1HG2 VAL 30 1HG2 VAL 30 0.924 -6.751 -10.525 196 2HG2 VAL 30 2HG2 VAL 30 -0.839 -6.636 -10.679 197 3HG2 VAL 30 3HG2 VAL 30 0.063 -7.689 -11.780 198 H ASN 31 H ASN 31 2.288 -3.182 -10.278 199 HA ASN 31 HA ASN 31 2.501 -1.257 -12.566 200 1HB ASN 31 1HB ASN 31 2.960 0.543 -11.075 201 2HB ASN 31 2HB ASN 31 1.349 -0.126 -10.871 202 1HD2 ASN 31 1HD2 ASN 31 0.922 -1.511 -8.928 203 2HD2 ASN 31 2HD2 ASN 31 1.806 -1.191 -7.470 204 H SER 32 H SER 32 4.625 -2.194 -9.793 205 HA SER 32 HA SER 32 6.627 -3.433 -10.891 206 1HB SER 32 1HB SER 32 7.027 -0.619 -11.856 207 2HB SER 32 2HB SER 32 8.437 -1.621 -11.505 208 HG SER 32 HG SER 32 6.311 -2.185 -13.246 209 H SER 33 H SER 33 5.592 -1.950 -8.223 210 HA SER 33 HA SER 33 8.145 -2.733 -6.917 211 1HB SER 33 1HB SER 33 8.181 -0.433 -6.456 212 2HB SER 33 2HB SER 33 6.431 -0.372 -6.172 213 HG SER 33 HG SER 33 8.290 -1.740 -4.487 214 H CYS 34 H CYS 34 4.784 -2.016 -5.949 215 HA CYS 34 HA CYS 34 3.671 -2.697 -4.191 216 1HB CYS 34 1HB CYS 34 2.705 -4.997 -4.452 217 2HB CYS 34 2HB CYS 34 2.567 -3.907 -5.816 218 H GLY 35 H GLY 35 3.339 -4.547 -2.389 219 1HA GLY 35 1HA GLY 35 4.352 -6.050 -0.869 220 2HA GLY 35 2HA GLY 35 5.945 -5.550 -1.381 221 H GLU 36 H GLU 36 6.023 -5.469 1.176 222 HA GLU 36 HA GLU 36 4.459 -3.704 2.697 223 1HB GLU 36 1HB GLU 36 5.964 -4.045 4.447 224 2HB GLU 36 2HB GLU 36 5.886 -5.558 3.524 225 1HG GLU 36 1HG GLU 36 8.066 -4.728 2.385 226 2HG GLU 36 2HG GLU 36 8.100 -3.483 3.659 227 H ILE 37 H ILE 37 7.303 -3.118 0.744 228 HA ILE 37 HA ILE 37 8.262 -0.634 1.691 229 HB ILE 37 HB ILE 37 8.313 -1.930 -1.041 230 1HG1 ILE 37 1HG1 ILE 37 10.187 -1.793 1.359 231 2HG1 ILE 37 2HG1 ILE 37 9.415 -3.202 0.617 232 1HG2 ILE 37 1HG2 ILE 37 9.715 0.627 -0.081 233 2HG2 ILE 37 2HG2 ILE 37 10.144 -0.248 -1.571 234 3HG2 ILE 37 3HG2 ILE 37 8.582 0.497 -1.415 235 1HD1 ILE 37 1HD1 ILE 37 11.672 -3.271 -0.041 236 2HD1 ILE 37 2HD1 ILE 37 10.750 -2.717 -1.455 237 3HD1 ILE 37 3HD1 ILE 37 11.680 -1.552 -0.484 238 H CYS 38 H CYS 38 6.010 -1.285 -1.065 239 HA CYS 38 HA CYS 38 5.633 1.478 -1.622 240 1HB CYS 38 1HB CYS 38 5.179 -0.479 -3.147 241 2HB CYS 38 2HB CYS 38 3.721 -0.817 -2.202 242 H CYS 39 H CYS 39 3.901 -0.785 0.520 243 HA CYS 39 HA CYS 39 1.854 0.941 1.504 244 1HB CYS 39 1HB CYS 39 3.456 -1.042 3.128 245 2HB CYS 39 2HB CYS 39 1.822 -0.511 3.378 246 H ASN 40 H ASN 40 5.160 0.329 2.832 247 HA ASN 40 HA ASN 40 5.140 2.219 4.877 248 1HB ASN 40 1HB ASN 40 7.173 0.675 3.318 249 2HB ASN 40 2HB ASN 40 7.783 2.185 3.922 250 1HD2 ASN 40 1HD2 ASN 40 5.416 -0.162 5.386 251 2HD2 ASN 40 2HD2 ASN 40 6.455 -0.435 6.795 252 H ASP 41 H ASP 41 5.840 2.733 1.432 253 HA ASP 41 HA ASP 41 6.982 5.338 1.893 254 1HB ASP 41 1HB ASP 41 6.454 3.578 -0.487 255 2HB ASP 41 2HB ASP 41 6.738 5.285 -0.768 256 H CYS 42 H CYS 42 3.697 4.257 1.005 257 HA CYS 42 HA CYS 42 2.889 7.137 0.808 258 1HB CYS 42 1HB CYS 42 1.861 4.769 -0.440 259 2HB CYS 42 2HB CYS 42 0.620 5.439 0.628 260 H PHE 43 H PHE 43 3.014 4.577 3.122 261 HA PHE 43 HA PHE 43 0.867 5.820 4.758 262 1HB PHE 43 1HB PHE 43 1.405 2.881 4.189 263 2HB PHE 43 2HB PHE 43 0.337 3.467 5.398 264 HD1 PHE 43 HD1 PHE 43 -1.755 4.393 4.943 265 HD2 PHE 43 HD2 PHE 43 0.637 2.917 1.678 266 HE1 PHE 43 HE1 PHE 43 -3.775 4.301 3.498 267 HE2 PHE 43 HE2 PHE 43 -1.369 2.657 0.322 268 HZ PHE 43 HZ PHE 43 -3.594 3.326 1.201 269 H ASP 44 H ASP 44 1.158 5.851 6.852 270 HA ASP 44 HA ASP 44 3.543 5.550 8.342 271 1HB ASP 44 1HB ASP 44 0.751 6.147 8.754 272 2HB ASP 44 2HB ASP 44 1.138 4.891 9.870 273 H GLU 45 H GLU 45 3.397 3.964 10.319 274 HA GLU 45 HA GLU 45 3.955 1.349 9.265 275 1HB GLU 45 1HB GLU 45 4.764 0.872 11.421 276 2HB GLU 45 2HB GLU 45 5.153 2.560 11.156 277 1HG GLU 45 1HG GLU 45 3.060 3.142 12.492 278 2HG GLU 45 2HG GLU 45 2.892 1.428 12.868 279 H THR 46 H THR 46 1.198 2.761 10.925 280 HA THR 46 HA THR 46 0.038 0.287 11.747 281 HB THR 46 HB THR 46 -1.083 3.099 11.660 282 HG1 THR 46 HG1 THR 46 0.378 1.604 13.589 283 1HG2 THR 46 1HG2 THR 46 -2.473 2.221 13.581 284 2HG2 THR 46 2HG2 THR 46 -2.907 1.559 12.009 285 3HG2 THR 46 3HG2 THR 46 -1.955 0.581 13.136 286 H GLY 47 H GLY 47 -0.911 2.637 9.162 287 1HA GLY 47 1HA GLY 47 -3.116 1.167 8.079 288 2HA GLY 47 2HA GLY 47 -2.096 2.326 7.240 289 H THR 48 H THR 48 0.452 1.216 7.493 290 HA THR 48 HA THR 48 0.615 -0.674 5.471 291 HB THR 48 HB THR 48 2.576 -0.107 7.682 292 HG1 THR 48 HG1 THR 48 2.541 1.629 6.451 293 1HG2 THR 48 1HG2 THR 48 2.786 -1.760 5.120 294 2HG2 THR 48 2HG2 THR 48 4.171 -1.143 6.023 295 3HG2 THR 48 3HG2 THR 48 3.092 -2.293 6.774 296 H GLY 49 H GLY 49 0.253 -1.527 9.015 297 1HA GLY 49 1HA GLY 49 0.683 -4.248 8.662 298 2HA GLY 49 2HA GLY 49 -0.439 -3.556 9.846 299 H ALA 50 H ALA 50 -2.250 -2.424 7.799 300 HA ALA 50 HA ALA 50 -3.898 -4.782 7.147 301 1HB ALA 50 1HB ALA 50 -4.880 -2.584 7.916 302 2HB ALA 50 2HB ALA 50 -4.174 -1.794 6.487 303 3HB ALA 50 3HB ALA 50 -5.440 -3.014 6.281 304 H CYS 51 H CYS 51 -2.091 -2.271 5.327 305 HA CYS 51 HA CYS 51 -2.982 -3.122 2.792 306 1HB CYS 51 1HB CYS 51 -2.124 -0.912 3.559 307 2HB CYS 51 2HB CYS 51 -0.496 -1.591 3.583 308 H ARG 52 H ARG 52 -0.225 -3.963 4.882 309 HA ARG 52 HA ARG 52 1.236 -5.523 3.097 310 1HB ARG 52 1HB ARG 52 0.866 -6.009 6.039 311 2HB ARG 52 2HB ARG 52 2.023 -6.805 4.922 312 1HG ARG 52 1HG ARG 52 3.205 -4.802 4.479 313 2HG ARG 52 2HG ARG 52 2.078 -3.858 5.380 314 1HD ARG 52 1HD ARG 52 3.081 -4.342 7.324 315 2HD ARG 52 2HD ARG 52 2.879 -6.061 7.068 316 HE ARG 52 HE ARG 52 4.895 -5.682 5.406 317 1HH1 ARG 52 2HH2 ARG 52 4.404 -3.996 8.541 318 2HH1 ARG 52 1HH2 ARG 52 6.090 -3.985 8.928 319 1HH2 ARG 52 2HH1 ARG 52 7.146 -5.968 6.246 320 2HH2 ARG 52 1HH1 ARG 52 7.610 -5.280 7.748 321 H ALA 53 H ALA 53 -1.623 -6.443 5.170 322 HA ALA 53 HA ALA 53 -1.569 -9.205 4.491 323 1HB ALA 53 1HB ALA 53 -3.934 -9.255 5.022 324 2HB ALA 53 2HB ALA 53 -3.080 -8.281 6.251 325 3HB ALA 53 3HB ALA 53 -4.058 -7.503 4.966 326 H GLN 54 H GLN 54 -3.313 -6.497 3.000 327 HA GLN 54 HA GLN 54 -4.201 -7.915 0.698 328 1HB GLN 54 1HB GLN 54 -4.914 -5.585 1.659 329 2HB GLN 54 2HB GLN 54 -3.602 -4.983 0.751 330 1HG GLN 54 1HG GLN 54 -5.459 -4.679 -0.662 331 2HG GLN 54 2HG GLN 54 -4.739 -6.143 -1.300 332 1HE2 GLN 54 1HE2 GLN 54 -6.947 -6.459 -2.313 333 2HE2 GLN 54 2HE2 GLN 54 -8.143 -7.231 -1.285 334 H ALA 55 H ALA 55 -0.928 -7.095 1.449 335 HA ALA 55 HA ALA 55 -0.172 -7.399 -1.403 336 1HB ALA 55 1HB ALA 55 1.902 -6.234 -0.804 337 2HB ALA 55 2HB ALA 55 0.487 -5.243 -0.380 338 3HB ALA 55 3HB ALA 55 1.347 -6.116 0.881 339 H PHE 56 H PHE 56 -0.407 -9.222 1.403 340 HA PHE 56 HA PHE 56 2.161 -10.681 1.164 341 1HB PHE 56 1HB PHE 56 1.523 -9.644 3.326 342 2HB PHE 56 2HB PHE 56 0.061 -10.581 3.346 343 HD1 PHE 56 HD1 PHE 56 3.571 -11.825 2.430 344 HD2 PHE 56 HD2 PHE 56 0.256 -11.946 5.214 345 HE1 PHE 56 HE1 PHE 56 4.692 -13.579 3.707 346 HE2 PHE 56 HE2 PHE 56 1.438 -13.653 6.530 347 HZ PHE 56 HZ PHE 56 3.682 -14.482 5.790 348 H GLY 57 H GLY 57 -1.224 -11.284 1.837 349 1HA GLY 57 1HA GLY 57 -1.024 -14.077 0.730 350 2HA GLY 57 2HA GLY 57 -2.291 -13.475 1.804 351 H ASN 58 H ASN 58 -2.168 -11.067 -0.147 352 HA ASN 58 HA ASN 58 -4.432 -11.889 -1.822 353 1HB ASN 58 1HB ASN 58 -4.400 -9.772 -0.435 354 2HB ASN 58 2HB ASN 58 -2.992 -9.320 -1.395 355 1HD2 ASN 58 1HD2 ASN 58 -3.560 -7.626 -2.751 356 2HD2 ASN 58 2HD2 ASN 58 -5.042 -7.583 -3.668 357 H SER 59 H SER 59 -3.342 -9.700 -3.878 358 HA SER 59 HA SER 59 -2.596 -11.876 -5.630 359 1HB SER 59 1HB SER 59 -2.824 -8.922 -6.119 360 2HB SER 59 2HB SER 59 -2.858 -10.184 -7.373 361 HG SER 59 HG SER 59 -4.885 -9.185 -6.136 362 H CYS 60 H CYS 60 -0.690 -9.573 -3.884 363 HA CYS 60 HA CYS 60 1.604 -9.553 -5.718 364 1HB CYS 60 1HB CYS 60 0.965 -7.847 -3.861 365 2HB CYS 60 2HB CYS 60 1.666 -9.021 -2.749 366 H LEU 61 H LEU 61 2.984 -11.317 -5.865 367 HA LEU 61 HA LEU 61 2.198 -13.699 -4.417 368 1HB LEU 61 1HB LEU 61 3.543 -13.231 -6.836 369 2HB LEU 61 2HB LEU 61 4.814 -13.845 -5.813 370 HG LEU 61 HG LEU 61 3.876 -15.688 -6.979 371 1HD1 LEU 61 1HD1 LEU 61 2.676 -15.817 -4.179 372 2HD1 LEU 61 2HD1 LEU 61 2.949 -17.170 -5.242 373 3HD1 LEU 61 3HD1 LEU 61 4.340 -16.234 -4.607 374 1HD2 LEU 61 1HD2 LEU 61 1.496 -16.264 -6.985 375 2HD2 LEU 61 2HD2 LEU 61 1.119 -14.862 -5.979 376 3HD2 LEU 61 3HD2 LEU 61 1.739 -14.637 -7.627 377 H ASN 62 H ASN 62 4.751 -11.321 -4.026 378 HA ASN 62 HA ASN 62 5.467 -12.493 -1.433 379 1HB ASN 62 1HB ASN 62 7.388 -12.063 -3.717 380 2HB ASN 62 2HB ASN 62 7.849 -11.457 -2.130 381 1HD2 ASN 62 1HD2 ASN 62 6.829 -14.491 -3.806 382 2HD2 ASN 62 2HD2 ASN 62 7.661 -15.508 -2.643 383 H TRP 63 H TRP 63 5.200 -10.889 0.012 384 HA TRP 63 HA TRP 63 4.765 -8.183 -0.755 385 1HB TRP 63 1HB TRP 63 4.949 -7.774 1.697 386 2HB TRP 63 2HB TRP 63 3.710 -8.941 1.258 387 HD1 TRP 63 HD1 TRP 63 6.795 -10.897 1.415 388 HE1 TRP 63 HE1 TRP 63 7.178 -11.916 3.728 389 HE3 TRP 63 HE3 TRP 63 3.331 -8.240 3.988 390 HZ2 TRP 63 HZ2 TRP 63 6.149 -11.533 6.423 391 HZ3 TRP 63 HZ3 TRP 63 3.032 -8.548 6.463 392 HH2 TRP 63 HH2 TRP 63 4.448 -10.199 7.670 Start of MODEL 19 1 1H THR 1 1H THR 1 -7.073 -2.645 9.889 2 HA THR 1 HA THR 1 -8.110 -0.571 10.694 3 HB THR 1 HB THR 1 -5.699 0.079 11.586 4 HG1 THR 1 HG1 THR 1 -6.558 2.371 11.305 5 1HG2 THR 1 1HG2 THR 1 -4.758 0.269 9.191 6 2HG2 THR 1 2HG2 THR 1 -5.763 1.710 9.015 7 3HG2 THR 1 3HG2 THR 1 -4.498 1.666 10.252 8 H ASP 2 H ASP 2 -8.531 1.348 9.125 9 HA ASP 2 HA ASP 2 -8.517 0.252 6.360 10 1HB ASP 2 1HB ASP 2 -10.138 2.370 7.779 11 2HB ASP 2 2HB ASP 2 -10.145 2.220 6.036 12 HA PRO 3 HA PRO 3 -5.461 3.408 5.322 13 1HB PRO 3 1HB PRO 3 -5.849 3.676 2.638 14 2HB PRO 3 2HB PRO 3 -5.257 2.154 3.368 15 1HG PRO 3 1HG PRO 3 -8.106 2.882 2.590 16 2HG PRO 3 2HG PRO 3 -7.198 1.401 2.142 17 1HD PRO 3 1HD PRO 3 -8.922 1.507 4.305 18 2HD PRO 3 2HD PRO 3 -7.444 0.497 4.306 19 H GLU 4 H GLU 4 -8.753 3.943 5.359 20 HA GLU 4 HA GLU 4 -9.112 6.506 4.213 21 1HB GLU 4 1HB GLU 4 -10.942 5.037 4.938 22 2HB GLU 4 2HB GLU 4 -10.364 5.086 6.621 23 1HG GLU 4 1HG GLU 4 -10.995 7.438 6.817 24 2HG GLU 4 2HG GLU 4 -11.227 7.575 5.086 25 H GLU 5 H GLU 5 -7.891 5.509 7.435 26 HA GLU 5 HA GLU 5 -7.796 8.372 8.257 27 1HB GLU 5 1HB GLU 5 -8.198 5.881 9.949 28 2HB GLU 5 2HB GLU 5 -8.266 7.565 10.483 29 1HG GLU 5 1HG GLU 5 -10.155 7.869 8.759 30 2HG GLU 5 2HG GLU 5 -10.206 6.100 8.676 31 H HIS 6 H HIS 6 -5.691 6.368 7.070 32 HA HIS 6 HA HIS 6 -3.477 7.027 8.922 33 1HB HIS 6 1HB HIS 6 -4.105 4.246 7.797 34 2HB HIS 6 2HB HIS 6 -2.611 4.717 8.608 35 HD1 HIS 6 HD1 HIS 6 -2.681 4.661 11.280 36 HD2 HIS 6 HD2 HIS 6 -6.420 4.278 9.357 37 HE1 HIS 6 HE1 HIS 6 -4.353 4.100 13.086 38 H PHE 7 H PHE 7 -2.507 8.431 7.445 39 HA PHE 7 HA PHE 7 -1.706 7.350 4.841 40 1HB PHE 7 1HB PHE 7 -4.033 8.456 4.656 41 2HB PHE 7 2HB PHE 7 -3.252 9.982 5.007 42 HD1 PHE 7 HD1 PHE 7 -0.701 8.648 3.114 43 HD2 PHE 7 HD2 PHE 7 -4.862 9.710 2.660 44 HE1 PHE 7 HE1 PHE 7 -0.404 8.764 0.690 45 HE2 PHE 7 HE2 PHE 7 -4.501 9.970 0.213 46 HZ PHE 7 HZ PHE 7 -2.294 9.342 -0.766 47 H ASP 8 H ASP 8 0.546 7.727 5.159 48 HA ASP 8 HA ASP 8 1.371 10.357 6.196 49 1HB ASP 8 1HB ASP 8 1.058 8.663 8.136 50 2HB ASP 8 2HB ASP 8 2.525 7.909 7.548 51 HA PRO 9 HA PRO 9 3.535 8.364 2.691 52 1HB PRO 9 1HB PRO 9 3.493 10.456 0.876 53 2HB PRO 9 2HB PRO 9 2.207 9.252 1.068 54 1HG PRO 9 1HG PRO 9 2.350 12.073 2.112 55 2HG PRO 9 2HG PRO 9 0.918 11.181 1.537 56 1HD PRO 9 1HD PRO 9 1.627 11.592 4.211 57 2HD PRO 9 2HD PRO 9 0.574 10.282 3.636 58 H ASN 10 H ASN 10 5.660 8.247 2.629 59 HA ASN 10 HA ASN 10 7.478 10.150 3.784 60 1HB ASN 10 1HB ASN 10 8.119 8.108 1.620 61 2HB ASN 10 2HB ASN 10 9.271 8.885 2.679 62 1HD2 ASN 10 1HD2 ASN 10 8.805 5.985 2.279 63 2HD2 ASN 10 2HD2 ASN 10 8.052 5.404 3.726 64 H THR 11 H THR 11 9.340 10.954 2.362 65 HA THR 11 HA THR 11 8.533 12.655 0.153 66 HB THR 11 HB THR 11 10.982 13.138 0.159 67 HG1 THR 11 HG1 THR 11 11.775 12.136 2.391 68 1HG2 THR 11 1HG2 THR 11 11.036 14.248 2.353 69 2HG2 THR 11 2HG2 THR 11 9.448 14.444 1.598 70 3HG2 THR 11 3HG2 THR 11 9.669 13.278 2.918 71 H ASN 12 H ASN 12 7.837 9.973 -0.408 72 HA ASN 12 HA ASN 12 9.383 9.569 -2.841 73 1HB ASN 12 1HB ASN 12 10.253 8.067 -0.839 74 2HB ASN 12 2HB ASN 12 8.849 7.076 -1.224 75 1HD2 ASN 12 1HD2 ASN 12 8.664 6.383 -3.601 76 2HD2 ASN 12 2HD2 ASN 12 10.191 6.074 -4.421 77 H CYS 13 H CYS 13 6.336 9.213 -1.000 78 HA CYS 13 HA CYS 13 5.039 7.617 -3.081 79 1HB CYS 13 1HB CYS 13 4.180 7.370 -0.898 80 2HB CYS 13 2HB CYS 13 4.237 9.089 -0.567 81 H ASP 14 H ASP 14 3.445 8.515 -4.523 82 HA ASP 14 HA ASP 14 3.469 11.495 -4.846 83 1HB ASP 14 1HB ASP 14 3.814 9.389 -7.002 84 2HB ASP 14 2HB ASP 14 3.212 11.007 -7.347 85 H TYR 15 H TYR 15 1.629 8.514 -4.676 86 HA TYR 15 HA TYR 15 -0.758 9.763 -5.883 87 1HB TYR 15 1HB TYR 15 -0.205 7.071 -4.578 88 2HB TYR 15 2HB TYR 15 -1.803 7.615 -5.065 89 HD1 TYR 15 HD1 TYR 15 0.423 8.893 -7.594 90 HD2 TYR 15 HD2 TYR 15 -1.431 5.257 -6.150 91 HE1 TYR 15 HE1 TYR 15 0.459 7.961 -9.863 92 HE2 TYR 15 HE2 TYR 15 -1.391 4.353 -8.439 93 HH TYR 15 HH TYR 15 -1.123 6.189 -11.090 94 H THR 16 H THR 16 -1.776 11.243 -4.712 95 HA THR 16 HA THR 16 -1.785 11.207 -1.787 96 HB THR 16 HB THR 16 -3.012 13.409 -2.239 97 HG1 THR 16 HG1 THR 16 -2.669 14.217 -4.335 98 1HG2 THR 16 1HG2 THR 16 -0.900 14.545 -2.748 99 2HG2 THR 16 2HG2 THR 16 -0.640 13.244 -1.584 100 3HG2 THR 16 3HG2 THR 16 -0.165 13.012 -3.278 101 H ASN 17 H ASN 17 -3.274 9.086 -3.216 102 HA ASN 17 HA ASN 17 -6.036 9.708 -2.296 103 1HB ASN 17 1HB ASN 17 -5.726 7.694 -4.450 104 2HB ASN 17 2HB ASN 17 -7.117 8.626 -3.982 105 1HD2 ASN 17 1HD2 ASN 17 -3.930 8.881 -5.383 106 2HD2 ASN 17 2HD2 ASN 17 -4.179 10.273 -6.401 107 H SER 18 H SER 18 -6.706 8.260 -0.893 108 HA SER 18 HA SER 18 -5.069 6.300 0.317 109 1HB SER 18 1HB SER 18 -7.343 5.524 1.268 110 2HB SER 18 2HB SER 18 -6.884 7.197 1.577 111 HG SER 18 HG SER 18 -8.930 6.165 0.054 112 H GLN 19 H GLN 19 -7.792 5.899 -2.035 113 HA GLN 19 HA GLN 19 -7.413 3.145 -2.129 114 1HB GLN 19 1HB GLN 19 -9.501 4.602 -2.756 115 2HB GLN 19 2HB GLN 19 -8.795 4.637 -4.372 116 1HG GLN 19 1HG GLN 19 -10.439 2.797 -4.112 117 2HG GLN 19 2HG GLN 19 -8.829 2.181 -4.475 118 1HE2 GLN 19 1HE2 GLN 19 -8.315 0.380 -3.270 119 2HE2 GLN 19 2HE2 GLN 19 -8.911 0.041 -1.656 120 H ASP 20 H ASP 20 -6.377 5.537 -4.694 121 HA ASP 20 HA ASP 20 -5.246 3.478 -6.379 122 1HB ASP 20 1HB ASP 20 -4.943 6.464 -6.199 123 2HB ASP 20 2HB ASP 20 -3.640 5.563 -6.935 124 H ALA 21 H ALA 21 -3.816 5.369 -3.627 125 HA ALA 21 HA ALA 21 -1.182 4.319 -3.969 126 1HB ALA 21 1HB ALA 21 -2.587 5.230 -1.419 127 2HB ALA 21 2HB ALA 21 -0.851 4.935 -1.608 128 3HB ALA 21 3HB ALA 21 -1.621 6.249 -2.519 129 H TRP 22 H TRP 22 -3.873 3.264 -1.836 130 HA TRP 22 HA TRP 22 -2.806 0.907 -0.803 131 1HB TRP 22 1HB TRP 22 -4.898 1.899 -0.053 132 2HB TRP 22 2HB TRP 22 -5.659 1.604 -1.603 133 HD1 TRP 22 HD1 TRP 22 -6.406 -0.899 -2.147 134 HE1 TRP 22 HE1 TRP 22 -7.158 -2.780 -0.607 135 HE3 TRP 22 HE3 TRP 22 -4.159 0.724 2.105 136 HZ2 TRP 22 HZ2 TRP 22 -6.812 -3.488 2.249 137 HZ3 TRP 22 HZ3 TRP 22 -4.447 -0.502 4.251 138 HH2 TRP 22 HH2 TRP 22 -5.715 -2.585 4.321 139 H ASP 23 H ASP 23 -4.964 1.113 -3.704 140 HA ASP 23 HA ASP 23 -4.886 -1.551 -4.405 141 1HB ASP 23 1HB ASP 23 -5.186 0.962 -6.089 142 2HB ASP 23 2HB ASP 23 -5.292 -0.637 -6.773 143 H TYR 24 H TYR 24 -2.565 1.034 -5.409 144 HA TYR 24 HA TYR 24 -1.141 -0.714 -7.123 145 1HB TYR 24 1HB TYR 24 -0.589 1.976 -5.856 146 2HB TYR 24 2HB TYR 24 0.742 1.089 -6.558 147 HD1 TYR 24 HD1 TYR 24 1.313 1.837 -8.663 148 HD2 TYR 24 HD2 TYR 24 -2.862 1.723 -7.596 149 HE1 TYR 24 HE1 TYR 24 0.703 2.441 -10.979 150 HE2 TYR 24 HE2 TYR 24 -3.490 2.474 -9.809 151 HH TYR 24 HH TYR 24 -1.219 2.168 -12.486 152 H CYS 25 H CYS 25 -0.615 0.339 -3.702 153 HA CYS 25 HA CYS 25 1.712 -1.133 -3.087 154 1HB CYS 25 1HB CYS 25 -0.670 -0.709 -1.255 155 2HB CYS 25 2HB CYS 25 0.928 -1.175 -0.757 156 H THR 26 H THR 26 -1.711 -2.162 -2.882 157 HA THR 26 HA THR 26 -1.036 -4.772 -1.899 158 HB THR 26 HB THR 26 -3.347 -5.065 -1.640 159 HG1 THR 26 HG1 THR 26 -4.721 -4.217 -2.881 160 1HG2 THR 26 1HG2 THR 26 -2.258 -3.600 -0.019 161 2HG2 THR 26 2HG2 THR 26 -2.741 -2.184 -0.918 162 3HG2 THR 26 3HG2 THR 26 -3.980 -3.204 -0.239 163 H ASN 27 H ASN 27 -0.712 -3.581 -4.954 164 HA ASN 27 HA ASN 27 -0.443 -4.574 -6.990 165 1HB ASN 27 1HB ASN 27 1.131 -5.874 -5.780 166 2HB ASN 27 2HB ASN 27 -0.057 -6.916 -5.142 167 1HD2 ASN 27 1HD2 ASN 27 2.324 -6.646 -7.443 168 2HD2 ASN 27 2HD2 ASN 27 1.804 -7.880 -8.577 169 H TYR 28 H TYR 28 -3.024 -4.010 -5.891 170 HA TYR 28 HA TYR 28 -4.989 -5.806 -7.059 171 1HB TYR 28 1HB TYR 28 -5.291 -4.147 -5.155 172 2HB TYR 28 2HB TYR 28 -5.056 -2.867 -6.324 173 HD1 TYR 28 HD1 TYR 28 -6.824 -2.034 -7.702 174 HD2 TYR 28 HD2 TYR 28 -7.424 -5.518 -5.224 175 HE1 TYR 28 HE1 TYR 28 -9.176 -1.890 -8.116 176 HE2 TYR 28 HE2 TYR 28 -9.780 -5.289 -5.415 177 HH TYR 28 HH TYR 28 -11.504 -4.302 -6.657 178 H ILE 29 H ILE 29 -2.718 -3.379 -8.126 179 HA ILE 29 HA ILE 29 -3.746 -3.397 -10.899 180 HB ILE 29 HB ILE 29 -2.783 -1.034 -9.252 181 1HG1 ILE 29 1HG1 ILE 29 -5.133 -1.689 -8.882 182 2HG1 ILE 29 2HG1 ILE 29 -4.944 -0.113 -9.512 183 1HG2 ILE 29 1HG2 ILE 29 -3.295 -1.261 -12.239 184 2HG2 ILE 29 2HG2 ILE 29 -3.283 0.283 -11.365 185 3HG2 ILE 29 3HG2 ILE 29 -1.822 -0.713 -11.403 186 1HD1 ILE 29 1HD1 ILE 29 -6.863 -1.253 -10.531 187 2HD1 ILE 29 2HD1 ILE 29 -5.652 -0.891 -11.770 188 3HD1 ILE 29 3HD1 ILE 29 -5.814 -2.547 -11.135 189 H VAL 30 H VAL 30 -2.035 -4.096 -12.197 190 HA VAL 30 HA VAL 30 0.522 -4.681 -10.990 191 HB VAL 30 HB VAL 30 -0.440 -4.876 -13.825 192 1HG1 VAL 30 1HG1 VAL 30 2.437 -5.329 -12.876 193 2HG1 VAL 30 2HG1 VAL 30 1.782 -5.779 -14.471 194 3HG1 VAL 30 3HG1 VAL 30 1.911 -4.085 -14.021 195 1HG2 VAL 30 1HG2 VAL 30 0.731 -6.792 -11.744 196 2HG2 VAL 30 2HG2 VAL 30 -0.956 -6.717 -12.295 197 3HG2 VAL 30 3HG2 VAL 30 0.286 -7.266 -13.412 198 H ASN 31 H ASN 31 2.075 -3.450 -10.614 199 HA ASN 31 HA ASN 31 2.550 -0.965 -12.132 200 1HB ASN 31 1HB ASN 31 2.686 0.426 -10.180 201 2HB ASN 31 2HB ASN 31 1.092 -0.334 -10.240 202 1HD2 ASN 31 1HD2 ASN 31 0.576 -2.028 -8.713 203 2HD2 ASN 31 2HD2 ASN 31 1.406 -2.004 -7.179 204 H SER 32 H SER 32 3.742 -3.730 -10.482 205 HA SER 32 HA SER 32 5.670 -4.716 -10.755 206 1HB SER 32 1HB SER 32 5.965 -3.534 -12.849 207 2HB SER 32 2HB SER 32 6.708 -2.161 -12.040 208 HG SER 32 HG SER 32 8.437 -3.214 -11.618 209 H SER 33 H SER 33 5.541 -1.744 -8.844 210 HA SER 33 HA SER 33 7.831 -2.769 -7.265 211 1HB SER 33 1HB SER 33 6.305 -0.177 -7.011 212 2HB SER 33 2HB SER 33 7.674 -0.706 -5.999 213 HG SER 33 HG SER 33 8.464 0.532 -7.671 214 H CYS 34 H CYS 34 4.467 -1.674 -6.465 215 HA CYS 34 HA CYS 34 3.244 -2.041 -4.611 216 1HB CYS 34 1HB CYS 34 2.334 -4.440 -4.697 217 2HB CYS 34 2HB CYS 34 2.345 -3.503 -6.167 218 H GLY 35 H GLY 35 3.130 -4.394 -2.879 219 1HA GLY 35 1HA GLY 35 4.263 -5.685 -1.353 220 2HA GLY 35 2HA GLY 35 5.794 -5.034 -1.949 221 H GLU 36 H GLU 36 6.083 -5.216 0.503 222 HA GLU 36 HA GLU 36 4.653 -3.569 2.319 223 1HB GLU 36 1HB GLU 36 6.396 -3.965 3.910 224 2HB GLU 36 2HB GLU 36 5.956 -5.457 3.052 225 1HG GLU 36 1HG GLU 36 8.018 -5.162 1.623 226 2HG GLU 36 2HG GLU 36 8.470 -3.806 2.668 227 H ILE 37 H ILE 37 7.752 -2.878 0.615 228 HA ILE 37 HA ILE 37 8.231 -0.376 1.596 229 HB ILE 37 HB ILE 37 8.573 -1.542 -1.184 230 1HG1 ILE 37 1HG1 ILE 37 11.007 -1.447 0.192 231 2HG1 ILE 37 2HG1 ILE 37 9.902 -1.871 1.461 232 1HG2 ILE 37 1HG2 ILE 37 10.355 0.123 -1.529 233 2HG2 ILE 37 2HG2 ILE 37 8.786 0.932 -1.343 234 3HG2 ILE 37 3HG2 ILE 37 9.918 0.925 -0.004 235 1HD1 ILE 37 1HD1 ILE 37 10.803 -3.874 0.449 236 2HD1 ILE 37 2HD1 ILE 37 9.098 -3.790 -0.018 237 3HD1 ILE 37 3HD1 ILE 37 10.361 -3.320 -1.167 238 H CYS 38 H CYS 38 5.772 -1.212 -0.915 239 HA CYS 38 HA CYS 38 5.344 1.597 -1.568 240 1HB CYS 38 1HB CYS 38 4.897 -0.371 -3.067 241 2HB CYS 38 2HB CYS 38 3.473 -0.719 -2.079 242 H CYS 39 H CYS 39 3.901 -0.805 0.690 243 HA CYS 39 HA CYS 39 1.851 0.881 1.739 244 1HB CYS 39 1HB CYS 39 3.442 -1.201 3.258 245 2HB CYS 39 2HB CYS 39 1.833 -0.604 3.576 246 H ASN 40 H ASN 40 5.223 0.235 2.861 247 HA ASN 40 HA ASN 40 5.357 2.056 4.979 248 1HB ASN 40 1HB ASN 40 7.453 0.849 3.101 249 2HB ASN 40 2HB ASN 40 7.815 1.633 4.603 250 1HD2 ASN 40 1HD2 ASN 40 5.118 -0.154 5.501 251 2HD2 ASN 40 2HD2 ASN 40 6.053 -1.554 6.014 252 H ASP 41 H ASP 41 5.266 2.777 1.582 253 HA ASP 41 HA ASP 41 6.809 5.263 1.946 254 1HB ASP 41 1HB ASP 41 6.068 3.645 -0.478 255 2HB ASP 41 2HB ASP 41 6.370 5.367 -0.581 256 H CYS 42 H CYS 42 3.555 4.125 1.617 257 HA CYS 42 HA CYS 42 2.593 6.914 1.155 258 1HB CYS 42 1HB CYS 42 1.150 4.294 0.785 259 2HB CYS 42 2HB CYS 42 0.560 5.870 0.358 260 H PHE 43 H PHE 43 2.597 4.258 3.474 261 HA PHE 43 HA PHE 43 0.455 5.529 5.078 262 1HB PHE 43 1HB PHE 43 1.003 2.589 4.489 263 2HB PHE 43 2HB PHE 43 -0.171 3.182 5.640 264 HD1 PHE 43 HD1 PHE 43 0.454 2.459 2.099 265 HD2 PHE 43 HD2 PHE 43 -2.103 4.468 4.869 266 HE1 PHE 43 HE1 PHE 43 -1.281 2.656 0.333 267 HE2 PHE 43 HE2 PHE 43 -3.825 4.773 3.101 268 HZ PHE 43 HZ PHE 43 -3.420 3.837 0.815 269 H ASP 44 H ASP 44 0.807 5.513 7.251 270 HA ASP 44 HA ASP 44 3.445 4.993 8.353 271 1HB ASP 44 1HB ASP 44 2.354 5.152 10.593 272 2HB ASP 44 2HB ASP 44 2.202 6.547 9.588 273 H GLU 45 H GLU 45 3.711 3.427 10.102 274 HA GLU 45 HA GLU 45 3.535 0.823 9.187 275 1HB GLU 45 1HB GLU 45 4.993 1.966 10.966 276 2HB GLU 45 2HB GLU 45 3.746 1.494 12.103 277 1HG GLU 45 1HG GLU 45 5.190 -0.426 10.210 278 2HG GLU 45 2HG GLU 45 5.790 -0.048 11.821 279 H THR 46 H THR 46 1.051 2.677 10.857 280 HA THR 46 HA THR 46 -0.364 0.241 11.765 281 HB THR 46 HB THR 46 -1.064 3.180 12.040 282 HG1 THR 46 HG1 THR 46 -0.104 2.958 13.947 283 1HG2 THR 46 1HG2 THR 46 -2.311 0.675 13.270 284 2HG2 THR 46 2HG2 THR 46 -2.649 2.343 13.783 285 3HG2 THR 46 3HG2 THR 46 -3.106 1.810 12.158 286 H GLY 47 H GLY 47 -0.842 2.862 9.324 287 1HA GLY 47 1HA GLY 47 -3.203 1.665 8.106 288 2HA GLY 47 2HA GLY 47 -2.079 2.797 7.346 289 H THR 48 H THR 48 0.273 1.419 7.622 290 HA THR 48 HA THR 48 0.367 -0.240 5.411 291 HB THR 48 HB THR 48 2.198 0.428 7.723 292 HG1 THR 48 HG1 THR 48 2.521 1.856 6.157 293 1HG2 THR 48 1HG2 THR 48 3.216 -1.450 5.646 294 2HG2 THR 48 2HG2 THR 48 4.010 -0.800 7.105 295 3HG2 THR 48 3HG2 THR 48 2.725 -1.971 7.292 296 H GLY 49 H GLY 49 0.242 -1.376 8.917 297 1HA GLY 49 1HA GLY 49 0.805 -3.990 8.304 298 2HA GLY 49 2HA GLY 49 -0.307 -3.552 9.625 299 H ALA 50 H ALA 50 -2.471 -2.545 8.089 300 HA ALA 50 HA ALA 50 -3.934 -4.805 7.166 301 1HB ALA 50 1HB ALA 50 -4.226 -1.814 6.619 302 2HB ALA 50 2HB ALA 50 -5.486 -3.070 6.374 303 3HB ALA 50 3HB ALA 50 -4.922 -2.709 7.995 304 H CYS 51 H CYS 51 -2.302 -2.148 5.363 305 HA CYS 51 HA CYS 51 -3.087 -2.943 2.787 306 1HB CYS 51 1HB CYS 51 -2.317 -0.718 3.637 307 2HB CYS 51 2HB CYS 51 -0.664 -1.340 3.687 308 H ARG 52 H ARG 52 -0.293 -3.710 4.863 309 HA ARG 52 HA ARG 52 1.200 -5.074 2.947 310 1HB ARG 52 1HB ARG 52 1.200 -5.376 5.974 311 2HB ARG 52 2HB ARG 52 2.239 -6.310 4.886 312 1HG ARG 52 1HG ARG 52 3.131 -4.121 3.971 313 2HG ARG 52 2HG ARG 52 2.119 -3.305 5.124 314 1HD ARG 52 1HD ARG 52 4.321 -3.342 6.041 315 2HD ARG 52 2HD ARG 52 3.358 -4.503 6.964 316 HE ARG 52 HE ARG 52 4.933 -5.594 4.710 317 1HH1 ARG 52 2HH2 ARG 52 5.170 -4.531 8.143 318 2HH1 ARG 52 1HH2 ARG 52 6.408 -5.698 8.485 319 1HH2 ARG 52 2HH1 ARG 52 6.842 -6.905 5.282 320 2HH2 ARG 52 1HH1 ARG 52 7.311 -6.983 6.931 321 H ALA 53 H ALA 53 -1.357 -6.220 5.177 322 HA ALA 53 HA ALA 53 -1.008 -9.022 4.555 323 1HB ALA 53 1HB ALA 53 -2.494 -8.304 6.410 324 2HB ALA 53 2HB ALA 53 -3.612 -7.560 5.238 325 3HB ALA 53 3HB ALA 53 -3.369 -9.305 5.222 326 H GLN 54 H GLN 54 -3.097 -6.507 3.095 327 HA GLN 54 HA GLN 54 -3.950 -8.074 0.894 328 1HB GLN 54 1HB GLN 54 -4.862 -5.820 1.889 329 2HB GLN 54 2HB GLN 54 -3.678 -5.087 0.883 330 1HG GLN 54 1HG GLN 54 -5.665 -5.043 -0.393 331 2HG GLN 54 2HG GLN 54 -4.778 -6.414 -1.071 332 1HE2 GLN 54 1HE2 GLN 54 -7.012 -6.806 -1.902 333 2HE2 GLN 54 2HE2 GLN 54 -7.947 -7.956 -0.928 334 H ALA 55 H ALA 55 -0.766 -6.836 1.434 335 HA ALA 55 HA ALA 55 -0.147 -7.094 -1.457 336 1HB ALA 55 1HB ALA 55 1.403 -5.608 0.691 337 2HB ALA 55 2HB ALA 55 1.764 -5.623 -1.039 338 3HB ALA 55 3HB ALA 55 0.318 -4.801 -0.414 339 H PHE 56 H PHE 56 -0.027 -8.858 1.289 340 HA PHE 56 HA PHE 56 2.647 -10.048 0.863 341 1HB PHE 56 1HB PHE 56 2.025 -9.078 3.112 342 2HB PHE 56 2HB PHE 56 0.726 -10.198 3.206 343 HD1 PHE 56 HD1 PHE 56 3.881 -11.590 1.737 344 HD2 PHE 56 HD2 PHE 56 1.665 -10.842 5.389 345 HE1 PHE 56 HE1 PHE 56 5.198 -13.266 2.878 346 HE2 PHE 56 HE2 PHE 56 3.089 -12.497 6.544 347 HZ PHE 56 HZ PHE 56 4.836 -13.744 5.310 348 H GLY 57 H GLY 57 -0.700 -10.749 1.615 349 1HA GLY 57 1HA GLY 57 -0.473 -13.508 0.473 350 2HA GLY 57 2HA GLY 57 -1.201 -13.210 2.055 351 H ASN 58 H ASN 58 -1.499 -11.674 -1.199 352 HA ASN 58 HA ASN 58 -4.417 -12.079 -1.253 353 1HB ASN 58 1HB ASN 58 -4.255 -9.993 -0.099 354 2HB ASN 58 2HB ASN 58 -2.931 -9.464 -1.145 355 1HD2 ASN 58 1HD2 ASN 58 -3.663 -7.799 -2.528 356 2HD2 ASN 58 2HD2 ASN 58 -5.158 -7.935 -3.447 357 H SER 59 H SER 59 -2.303 -9.830 -3.008 358 HA SER 59 HA SER 59 -2.689 -11.399 -5.526 359 1HB SER 59 1HB SER 59 -2.722 -8.458 -4.821 360 2HB SER 59 2HB SER 59 -2.245 -8.966 -6.427 361 HG SER 59 HG SER 59 -4.138 -10.098 -6.638 362 H CYS 60 H CYS 60 -0.345 -8.907 -4.293 363 HA CYS 60 HA CYS 60 1.854 -9.597 -5.801 364 1HB CYS 60 1HB CYS 60 1.415 -7.726 -4.025 365 2HB CYS 60 2HB CYS 60 2.000 -8.894 -2.861 366 H LEU 61 H LEU 61 3.150 -11.394 -5.864 367 HA LEU 61 HA LEU 61 2.531 -13.745 -4.343 368 1HB LEU 61 1HB LEU 61 4.979 -12.969 -5.998 369 2HB LEU 61 2HB LEU 61 4.936 -14.430 -5.026 370 HG LEU 61 HG LEU 61 2.562 -14.749 -6.308 371 1HD1 LEU 61 1HD1 LEU 61 2.800 -14.166 -8.654 372 2HD1 LEU 61 2HD1 LEU 61 2.878 -12.706 -7.666 373 3HD1 LEU 61 3HD1 LEU 61 4.374 -13.390 -8.342 374 1HD2 LEU 61 1HD2 LEU 61 5.293 -15.549 -7.363 375 2HD2 LEU 61 2HD2 LEU 61 4.365 -16.376 -6.097 376 3HD2 LEU 61 3HD2 LEU 61 3.735 -16.313 -7.769 377 H ASN 62 H ASN 62 5.119 -11.310 -3.954 378 HA ASN 62 HA ASN 62 5.432 -12.119 -1.125 379 1HB ASN 62 1HB ASN 62 7.567 -12.380 -3.253 380 2HB ASN 62 2HB ASN 62 8.006 -11.745 -1.674 381 1HD2 ASN 62 1HD2 ASN 62 5.724 -14.499 -2.503 382 2HD2 ASN 62 2HD2 ASN 62 6.651 -15.668 -1.645 383 H TRP 63 H TRP 63 5.184 -10.316 -0.051 384 HA TRP 63 HA TRP 63 5.069 -7.733 -1.019 385 1HB TRP 63 1HB TRP 63 5.346 -7.112 1.382 386 2HB TRP 63 2HB TRP 63 4.044 -8.249 1.065 387 HD1 TRP 63 HD1 TRP 63 7.099 -10.273 1.277 388 HE1 TRP 63 HE1 TRP 63 7.293 -11.348 3.576 389 HE3 TRP 63 HE3 TRP 63 3.574 -7.604 3.773 390 HZ2 TRP 63 HZ2 TRP 63 6.361 -10.871 6.246 391 HZ3 TRP 63 HZ3 TRP 63 3.219 -7.944 6.245 392 HH2 TRP 63 HH2 TRP 63 4.625 -9.577 7.472 Start of MODEL 20 1 1H THR 1 1H THR 1 -6.001 -2.529 10.459 2 HA THR 1 HA THR 1 -8.259 -0.794 11.170 3 HB THR 1 HB THR 1 -5.866 -0.360 12.084 4 HG1 THR 1 HG1 THR 1 -6.243 2.002 11.517 5 1HG2 THR 1 1HG2 THR 1 -5.531 0.863 9.301 6 2HG2 THR 1 2HG2 THR 1 -4.364 0.885 10.644 7 3HG2 THR 1 3HG2 THR 1 -4.809 -0.656 9.859 8 H ASP 2 H ASP 2 -8.070 1.247 9.462 9 HA ASP 2 HA ASP 2 -8.461 0.038 6.754 10 1HB ASP 2 1HB ASP 2 -9.813 2.250 8.287 11 2HB ASP 2 2HB ASP 2 -10.039 2.081 6.541 12 HA PRO 3 HA PRO 3 -5.320 2.864 5.387 13 1HB PRO 3 1HB PRO 3 -6.142 3.572 2.845 14 2HB PRO 3 2HB PRO 3 -5.516 1.961 3.289 15 1HG PRO 3 1HG PRO 3 -8.379 2.868 2.997 16 2HG PRO 3 2HG PRO 3 -7.624 1.369 2.364 17 1HD PRO 3 1HD PRO 3 -9.081 1.417 4.691 18 2HD PRO 3 2HD PRO 3 -7.664 0.350 4.486 19 H GLU 4 H GLU 4 -8.584 3.938 5.460 20 HA GLU 4 HA GLU 4 -8.563 6.468 4.406 21 1HB GLU 4 1HB GLU 4 -10.493 5.017 5.229 22 2HB GLU 4 2HB GLU 4 -10.035 5.465 6.894 23 1HG GLU 4 1HG GLU 4 -10.590 7.842 6.372 24 2HG GLU 4 2HG GLU 4 -10.857 7.434 4.677 25 H GLU 5 H GLU 5 -7.830 5.549 7.763 26 HA GLU 5 HA GLU 5 -7.626 8.323 8.702 27 1HB GLU 5 1HB GLU 5 -7.291 5.647 10.107 28 2HB GLU 5 2HB GLU 5 -7.366 7.190 10.922 29 1HG GLU 5 1HG GLU 5 -9.689 6.159 9.255 30 2HG GLU 5 2HG GLU 5 -9.428 5.648 10.910 31 H HIS 6 H HIS 6 -5.492 6.785 6.865 32 HA HIS 6 HA HIS 6 -3.104 7.296 8.562 33 1HB HIS 6 1HB HIS 6 -3.935 4.698 7.197 34 2HB HIS 6 2HB HIS 6 -2.310 5.032 7.812 35 HD1 HIS 6 HD1 HIS 6 -1.882 4.914 10.363 36 HD2 HIS 6 HD2 HIS 6 -5.889 4.237 9.158 37 HE1 HIS 6 HE1 HIS 6 -3.144 4.142 12.424 38 H PHE 7 H PHE 7 -2.906 9.204 6.972 39 HA PHE 7 HA PHE 7 -1.632 8.240 4.477 40 1HB PHE 7 1HB PHE 7 -3.855 9.895 4.573 41 2HB PHE 7 2HB PHE 7 -2.515 11.005 4.333 42 HD1 PHE 7 HD1 PHE 7 -4.933 10.018 2.495 43 HD2 PHE 7 HD2 PHE 7 -0.702 9.088 2.587 44 HE1 PHE 7 HE1 PHE 7 -4.975 9.382 0.108 45 HE2 PHE 7 HE2 PHE 7 -0.794 8.480 0.223 46 HZ PHE 7 HZ PHE 7 -2.903 8.529 -1.003 47 H ASP 8 H ASP 8 0.512 8.317 4.718 48 HA ASP 8 HA ASP 8 1.699 10.807 5.751 49 1HB ASP 8 1HB ASP 8 1.411 8.445 7.347 50 2HB ASP 8 2HB ASP 8 3.096 8.480 6.890 51 HA PRO 9 HA PRO 9 3.511 8.699 1.966 52 1HB PRO 9 1HB PRO 9 3.377 11.081 0.347 53 2HB PRO 9 2HB PRO 9 2.513 9.554 0.128 54 1HG PRO 9 1HG PRO 9 1.366 12.034 0.954 55 2HG PRO 9 2HG PRO 9 0.599 10.436 1.018 56 1HD PRO 9 1HD PRO 9 1.884 11.989 3.223 57 2HD PRO 9 2HD PRO 9 0.561 10.807 3.300 58 H ASN 10 H ASN 10 5.578 8.609 1.857 59 HA ASN 10 HA ASN 10 7.326 10.829 2.771 60 1HB ASN 10 1HB ASN 10 8.267 8.165 1.663 61 2HB ASN 10 2HB ASN 10 9.077 9.211 2.792 62 1HD2 ASN 10 1HD2 ASN 10 6.682 6.907 2.426 63 2HD2 ASN 10 2HD2 ASN 10 6.447 6.465 4.085 64 H THR 11 H THR 11 9.328 11.122 1.265 65 HA THR 11 HA THR 11 8.501 12.029 -1.284 66 HB THR 11 HB THR 11 10.923 12.540 -1.561 67 HG1 THR 11 HG1 THR 11 11.949 10.987 -0.418 68 1HG2 THR 11 1HG2 THR 11 10.997 14.222 0.155 69 2HG2 THR 11 2HG2 THR 11 9.302 14.022 -0.334 70 3HG2 THR 11 3HG2 THR 11 9.870 13.320 1.194 71 H ASN 12 H ASN 12 8.639 8.935 -0.593 72 HA ASN 12 HA ASN 12 9.881 7.954 -3.118 73 1HB ASN 12 1HB ASN 12 8.708 6.595 -0.658 74 2HB ASN 12 2HB ASN 12 8.892 5.749 -2.192 75 1HD2 ASN 12 1HD2 ASN 12 10.756 7.261 0.488 76 2HD2 ASN 12 2HD2 ASN 12 12.238 6.482 0.037 77 H CYS 13 H CYS 13 6.678 8.979 -1.761 78 HA CYS 13 HA CYS 13 5.291 7.567 -3.907 79 1HB CYS 13 1HB CYS 13 4.988 8.084 -0.962 80 2HB CYS 13 2HB CYS 13 3.559 8.238 -1.905 81 H ASP 14 H ASP 14 3.212 8.641 -4.498 82 HA ASP 14 HA ASP 14 3.304 11.621 -4.644 83 1HB ASP 14 1HB ASP 14 4.694 11.005 -6.478 84 2HB ASP 14 2HB ASP 14 3.675 9.646 -6.895 85 H TYR 15 H TYR 15 1.499 8.542 -5.122 86 HA TYR 15 HA TYR 15 -0.905 9.906 -6.025 87 1HB TYR 15 1HB TYR 15 -0.413 7.118 -4.907 88 2HB TYR 15 2HB TYR 15 -1.998 7.718 -5.367 89 HD1 TYR 15 HD1 TYR 15 0.355 9.060 -7.729 90 HD2 TYR 15 HD2 TYR 15 -1.745 5.455 -6.609 91 HE1 TYR 15 HE1 TYR 15 0.621 8.193 -10.023 92 HE2 TYR 15 HE2 TYR 15 -1.508 4.612 -8.883 93 HH TYR 15 HH TYR 15 0.562 6.288 -11.332 94 H THR 16 H THR 16 -1.933 11.290 -4.723 95 HA THR 16 HA THR 16 -1.912 10.853 -1.817 96 HB THR 16 HB THR 16 -2.764 13.062 -1.632 97 HG1 THR 16 HG1 THR 16 -2.533 13.568 -4.383 98 1HG2 THR 16 1HG2 THR 16 -0.896 14.329 -2.480 99 2HG2 THR 16 2HG2 THR 16 -0.285 12.720 -2.032 100 3HG2 THR 16 3HG2 THR 16 -0.553 13.132 -3.733 101 H ASN 17 H ASN 17 -3.605 9.105 -3.686 102 HA ASN 17 HA ASN 17 -6.242 9.700 -2.470 103 1HB ASN 17 1HB ASN 17 -6.080 7.872 -4.783 104 2HB ASN 17 2HB ASN 17 -7.470 8.622 -4.080 105 1HD2 ASN 17 1HD2 ASN 17 -4.565 9.301 -5.896 106 2HD2 ASN 17 2HD2 ASN 17 -5.162 10.677 -6.810 107 H SER 18 H SER 18 -6.933 8.116 -1.149 108 HA SER 18 HA SER 18 -5.055 6.214 -0.054 109 1HB SER 18 1HB SER 18 -7.009 5.636 1.445 110 2HB SER 18 2HB SER 18 -6.651 7.359 1.374 111 HG SER 18 HG SER 18 -8.740 7.375 1.025 112 H GLN 19 H GLN 19 -7.847 5.961 -2.242 113 HA GLN 19 HA GLN 19 -7.892 3.091 -2.341 114 1HB GLN 19 1HB GLN 19 -9.529 5.146 -3.217 115 2HB GLN 19 2HB GLN 19 -8.854 4.613 -4.737 116 1HG GLN 19 1HG GLN 19 -10.256 2.785 -2.753 117 2HG GLN 19 2HG GLN 19 -11.030 3.570 -4.130 118 1HE2 GLN 19 1HE2 GLN 19 -8.856 0.932 -3.174 119 2HE2 GLN 19 2HE2 GLN 19 -8.733 0.272 -4.800 120 H ASP 20 H ASP 20 -6.678 5.478 -4.802 121 HA ASP 20 HA ASP 20 -5.590 3.600 -6.547 122 1HB ASP 20 1HB ASP 20 -4.875 6.507 -5.973 123 2HB ASP 20 2HB ASP 20 -4.019 5.549 -7.153 124 H ALA 21 H ALA 21 -3.923 5.463 -3.916 125 HA ALA 21 HA ALA 21 -1.377 4.310 -4.358 126 1HB ALA 21 1HB ALA 21 -0.932 5.007 -1.999 127 2HB ALA 21 2HB ALA 21 -1.652 6.299 -2.984 128 3HB ALA 21 3HB ALA 21 -2.656 5.402 -1.834 129 H TRP 22 H TRP 22 -4.043 3.285 -2.119 130 HA TRP 22 HA TRP 22 -2.772 1.048 -1.012 131 1HB TRP 22 1HB TRP 22 -4.832 1.894 -0.126 132 2HB TRP 22 2HB TRP 22 -5.683 1.587 -1.638 133 HD1 TRP 22 HD1 TRP 22 -6.275 -0.932 -2.202 134 HE1 TRP 22 HE1 TRP 22 -6.728 -2.942 -0.709 135 HE3 TRP 22 HE3 TRP 22 -4.031 0.738 2.062 136 HZ2 TRP 22 HZ2 TRP 22 -6.509 -3.574 2.141 137 HZ3 TRP 22 HZ3 TRP 22 -4.280 -0.501 4.185 138 HH2 TRP 22 HH2 TRP 22 -5.548 -2.581 4.273 139 H ASP 23 H ASP 23 -5.021 1.007 -3.890 140 HA ASP 23 HA ASP 23 -4.765 -1.789 -4.361 141 1HB ASP 23 1HB ASP 23 -5.583 0.536 -6.086 142 2HB ASP 23 2HB ASP 23 -5.332 -1.040 -6.786 143 H TYR 24 H TYR 24 -2.716 0.903 -5.452 144 HA TYR 24 HA TYR 24 -1.223 -0.748 -7.245 145 1HB TYR 24 1HB TYR 24 -0.885 2.031 -6.080 146 2HB TYR 24 2HB TYR 24 0.385 1.300 -7.018 147 HD1 TYR 24 HD1 TYR 24 -3.418 1.426 -7.480 148 HD2 TYR 24 HD2 TYR 24 0.467 2.232 -9.150 149 HE1 TYR 24 HE1 TYR 24 -4.489 2.355 -9.455 150 HE2 TYR 24 HE2 TYR 24 -0.594 2.967 -11.249 151 HH TYR 24 HH TYR 24 -4.141 3.583 -11.382 152 H CYS 25 H CYS 25 -0.762 0.377 -3.831 153 HA CYS 25 HA CYS 25 1.756 -0.858 -3.312 154 1HB CYS 25 1HB CYS 25 -0.595 -0.536 -1.390 155 2HB CYS 25 2HB CYS 25 1.052 -0.915 -0.933 156 H THR 26 H THR 26 -1.569 -2.129 -2.956 157 HA THR 26 HA THR 26 -0.774 -4.638 -1.789 158 HB THR 26 HB THR 26 -3.094 -5.084 -1.764 159 HG1 THR 26 HG1 THR 26 -4.544 -3.682 -2.786 160 1HG2 THR 26 1HG2 THR 26 -2.081 -3.626 -0.033 161 2HG2 THR 26 2HG2 THR 26 -2.408 -2.188 -0.960 162 3HG2 THR 26 3HG2 THR 26 -3.749 -3.105 -0.346 163 H ASN 27 H ASN 27 -0.503 -3.549 -4.966 164 HA ASN 27 HA ASN 27 -0.075 -4.581 -6.918 165 1HB ASN 27 1HB ASN 27 1.428 -5.887 -5.776 166 2HB ASN 27 2HB ASN 27 0.322 -6.900 -5.033 167 1HD2 ASN 27 1HD2 ASN 27 2.545 -6.891 -7.086 168 2HD2 ASN 27 2HD2 ASN 27 2.097 -7.814 -8.494 169 H TYR 28 H TYR 28 -2.848 -4.492 -5.510 170 HA TYR 28 HA TYR 28 -4.666 -6.137 -6.968 171 1HB TYR 28 1HB TYR 28 -5.025 -4.515 -4.955 172 2HB TYR 28 2HB TYR 28 -4.958 -3.234 -6.141 173 HD1 TYR 28 HD1 TYR 28 -6.875 -6.040 -4.828 174 HD2 TYR 28 HD2 TYR 28 -6.769 -2.745 -7.560 175 HE1 TYR 28 HE1 TYR 28 -9.300 -6.276 -5.164 176 HE2 TYR 28 HE2 TYR 28 -9.135 -2.940 -8.012 177 HH TYR 28 HH TYR 28 -11.073 -5.380 -6.057 178 H ILE 29 H ILE 29 -2.698 -3.295 -7.673 179 HA ILE 29 HA ILE 29 -3.304 -3.503 -10.564 180 HB ILE 29 HB ILE 29 -3.010 -1.033 -8.830 181 1HG1 ILE 29 1HG1 ILE 29 -5.265 -2.173 -9.002 182 2HG1 ILE 29 2HG1 ILE 29 -5.222 -0.510 -9.364 183 1HG2 ILE 29 1HG2 ILE 29 -1.750 -0.408 -10.696 184 2HG2 ILE 29 2HG2 ILE 29 -2.784 -1.314 -11.838 185 3HG2 ILE 29 3HG2 ILE 29 -3.372 0.177 -11.088 186 1HD1 ILE 29 1HD1 ILE 29 -5.287 -2.773 -11.427 187 2HD1 ILE 29 2HD1 ILE 29 -6.672 -1.798 -10.909 188 3HD1 ILE 29 3HD1 ILE 29 -5.350 -1.038 -11.809 189 H VAL 30 H VAL 30 -1.427 -4.116 -11.564 190 HA VAL 30 HA VAL 30 1.169 -4.195 -10.429 191 HB VAL 30 HB VAL 30 1.744 -3.821 -13.021 192 1HG1 VAL 30 1HG1 VAL 30 0.451 -6.435 -12.388 193 2HG1 VAL 30 2HG1 VAL 30 1.902 -6.083 -13.339 194 3HG1 VAL 30 3HG1 VAL 30 1.954 -5.940 -11.561 195 1HG2 VAL 30 1HG2 VAL 30 0.047 -4.671 -14.549 196 2HG2 VAL 30 2HG2 VAL 30 -1.144 -4.733 -13.243 197 3HG2 VAL 30 3HG2 VAL 30 -0.489 -3.174 -13.762 198 H ASN 31 H ASN 31 2.802 -2.627 -10.310 199 HA ASN 31 HA ASN 31 2.731 -0.325 -12.088 200 1HB ASN 31 1HB ASN 31 2.719 1.407 -10.359 201 2HB ASN 31 2HB ASN 31 1.210 0.546 -10.453 202 1HD2 ASN 31 1HD2 ASN 31 0.909 -1.357 -8.769 203 2HD2 ASN 31 2HD2 ASN 31 1.574 -1.052 -7.206 204 H SER 32 H SER 32 4.186 -0.994 -8.894 205 HA SER 32 HA SER 32 6.919 -1.152 -10.049 206 1HB SER 32 1HB SER 32 5.694 0.654 -8.039 207 2HB SER 32 2HB SER 32 7.175 -0.115 -7.468 208 HG SER 32 HG SER 32 8.313 0.815 -8.939 209 H SER 33 H SER 33 8.194 -1.941 -7.587 210 HA SER 33 HA SER 33 7.472 -4.708 -7.657 211 1HB SER 33 1HB SER 33 9.477 -3.198 -5.948 212 2HB SER 33 2HB SER 33 9.272 -4.955 -5.972 213 HG SER 33 HG SER 33 10.753 -4.663 -7.392 214 H CYS 34 H CYS 34 5.756 -2.384 -6.141 215 HA CYS 34 HA CYS 34 4.303 -2.283 -4.433 216 1HB CYS 34 1HB CYS 34 2.844 -4.560 -4.546 217 2HB CYS 34 2HB CYS 34 2.931 -3.370 -5.840 218 H GLY 35 H GLY 35 3.403 -4.514 -2.664 219 1HA GLY 35 1HA GLY 35 4.187 -5.970 -1.017 220 2HA GLY 35 2HA GLY 35 5.840 -5.413 -1.305 221 H GLU 36 H GLU 36 5.577 -5.556 1.214 222 HA GLU 36 HA GLU 36 4.140 -3.753 2.735 223 1HB GLU 36 1HB GLU 36 5.665 -4.268 4.420 224 2HB GLU 36 2HB GLU 36 5.328 -5.730 3.479 225 1HG GLU 36 1HG GLU 36 7.622 -5.178 2.321 226 2HG GLU 36 2HG GLU 36 7.858 -4.091 3.699 227 H ILE 37 H ILE 37 7.035 -3.289 0.855 228 HA ILE 37 HA ILE 37 8.064 -0.827 1.915 229 HB ILE 37 HB ILE 37 8.232 -2.160 -0.788 230 1HG1 ILE 37 1HG1 ILE 37 10.066 -1.785 1.634 231 2HG1 ILE 37 2HG1 ILE 37 9.264 -3.289 1.142 232 1HG2 ILE 37 1HG2 ILE 37 9.831 0.297 0.102 233 2HG2 ILE 37 2HG2 ILE 37 9.937 -0.541 -1.454 234 3HG2 ILE 37 3HG2 ILE 37 8.508 0.388 -1.057 235 1HD1 ILE 37 1HD1 ILE 37 11.537 -3.441 0.549 236 2HD1 ILE 37 2HD1 ILE 37 10.609 -3.244 -0.957 237 3HD1 ILE 37 3HD1 ILE 37 11.506 -1.857 -0.255 238 H CYS 38 H CYS 38 5.761 -1.410 -0.850 239 HA CYS 38 HA CYS 38 5.470 1.419 -1.328 240 1HB CYS 38 1HB CYS 38 4.995 -0.566 -2.882 241 2HB CYS 38 2HB CYS 38 3.487 -0.795 -2.029 242 H CYS 39 H CYS 39 3.693 -0.922 0.721 243 HA CYS 39 HA CYS 39 1.682 0.807 1.788 244 1HB CYS 39 1HB CYS 39 3.251 -1.227 3.357 245 2HB CYS 39 2HB CYS 39 1.614 -0.686 3.580 246 H ASN 40 H ASN 40 5.034 0.138 3.007 247 HA ASN 40 HA ASN 40 4.999 1.925 5.137 248 1HB ASN 40 1HB ASN 40 7.061 0.502 3.486 249 2HB ASN 40 2HB ASN 40 7.642 1.943 4.240 250 1HD2 ASN 40 1HD2 ASN 40 5.225 -0.468 5.486 251 2HD2 ASN 40 2HD2 ASN 40 6.302 -0.960 6.807 252 H ASP 41 H ASP 41 5.743 2.459 1.701 253 HA ASP 41 HA ASP 41 6.928 4.999 2.147 254 1HB ASP 41 1HB ASP 41 6.298 3.448 -0.336 255 2HB ASP 41 2HB ASP 41 6.787 5.142 -0.344 256 H CYS 42 H CYS 42 3.596 4.099 1.702 257 HA CYS 42 HA CYS 42 2.872 6.973 1.246 258 1HB CYS 42 1HB CYS 42 1.828 4.574 0.009 259 2HB CYS 42 2HB CYS 42 0.557 5.418 0.917 260 H PHE 43 H PHE 43 2.213 4.085 3.219 261 HA PHE 43 HA PHE 43 0.247 5.500 4.923 262 1HB PHE 43 1HB PHE 43 0.998 2.545 4.574 263 2HB PHE 43 2HB PHE 43 -0.132 3.170 5.778 264 HD1 PHE 43 HD1 PHE 43 -2.364 4.022 5.089 265 HD2 PHE 43 HD2 PHE 43 0.417 2.505 2.160 266 HE1 PHE 43 HE1 PHE 43 -4.082 4.203 3.319 267 HE2 PHE 43 HE2 PHE 43 -1.390 2.452 0.474 268 HZ PHE 43 HZ PHE 43 -3.655 3.311 1.059 269 H ASP 44 H ASP 44 0.604 5.312 7.312 270 HA ASP 44 HA ASP 44 3.436 5.249 8.106 271 1HB ASP 44 1HB ASP 44 2.837 5.897 10.186 272 2HB ASP 44 2HB ASP 44 1.481 6.575 9.313 273 H GLU 45 H GLU 45 3.766 3.691 10.062 274 HA GLU 45 HA GLU 45 3.821 1.075 8.964 275 1HB GLU 45 1HB GLU 45 5.129 2.417 10.950 276 2HB GLU 45 2HB GLU 45 4.139 1.359 11.920 277 1HG GLU 45 1HG GLU 45 5.858 0.356 9.601 278 2HG GLU 45 2HG GLU 45 6.546 0.646 11.186 279 H THR 46 H THR 46 1.451 2.702 10.990 280 HA THR 46 HA THR 46 0.027 0.311 11.841 281 HB THR 46 HB THR 46 -0.947 3.189 11.764 282 HG1 THR 46 HG1 THR 46 0.707 3.426 12.868 283 1HG2 THR 46 1HG2 THR 46 -2.766 1.716 12.172 284 2HG2 THR 46 2HG2 THR 46 -1.819 0.759 13.343 285 3HG2 THR 46 3HG2 THR 46 -2.302 2.428 13.716 286 H GLY 47 H GLY 47 -0.647 2.956 9.440 287 1HA GLY 47 1HA GLY 47 -2.879 1.695 8.193 288 2HA GLY 47 2HA GLY 47 -1.833 2.944 7.481 289 H THR 48 H THR 48 0.596 1.172 7.801 290 HA THR 48 HA THR 48 0.402 -0.435 5.465 291 HB THR 48 HB THR 48 2.357 -0.059 7.768 292 HG1 THR 48 HG1 THR 48 2.553 1.535 6.408 293 1HG2 THR 48 1HG2 THR 48 2.669 -2.413 7.084 294 2HG2 THR 48 2HG2 THR 48 3.010 -1.847 5.423 295 3HG2 THR 48 3HG2 THR 48 4.035 -1.366 6.792 296 H GLY 49 H GLY 49 -0.008 -1.425 8.941 297 1HA GLY 49 1HA GLY 49 0.488 -4.082 8.628 298 2HA GLY 49 2HA GLY 49 -0.754 -3.454 9.724 299 H ALA 50 H ALA 50 -2.598 -2.560 7.773 300 HA ALA 50 HA ALA 50 -4.042 -4.936 6.997 301 1HB ALA 50 1HB ALA 50 -5.643 -3.226 6.258 302 2HB ALA 50 2HB ALA 50 -4.957 -2.693 7.789 303 3HB ALA 50 3HB ALA 50 -4.329 -1.975 6.286 304 H CYS 51 H CYS 51 -2.207 -2.363 5.326 305 HA CYS 51 HA CYS 51 -2.975 -2.967 2.691 306 1HB CYS 51 1HB CYS 51 -2.078 -0.827 3.699 307 2HB CYS 51 2HB CYS 51 -0.474 -1.549 3.641 308 H ARG 52 H ARG 52 -0.307 -3.919 4.850 309 HA ARG 52 HA ARG 52 1.294 -5.474 3.164 310 1HB ARG 52 1HB ARG 52 0.672 -5.927 6.089 311 2HB ARG 52 2HB ARG 52 1.811 -6.845 5.072 312 1HG ARG 52 1HG ARG 52 3.089 -4.930 4.556 313 2HG ARG 52 2HG ARG 52 2.015 -3.899 5.518 314 1HD ARG 52 1HD ARG 52 2.765 -4.760 7.529 315 2HD ARG 52 2HD ARG 52 3.018 -6.373 6.890 316 HE ARG 52 HE ARG 52 4.906 -5.441 5.551 317 1HH1 ARG 52 2HH2 ARG 52 3.919 -3.887 8.637 318 2HH1 ARG 52 1HH2 ARG 52 5.421 -3.129 8.929 319 1HH2 ARG 52 2HH1 ARG 52 7.099 -4.845 6.289 320 2HH2 ARG 52 1HH1 ARG 52 7.225 -3.498 7.424 321 H ALA 53 H ALA 53 -1.634 -6.522 5.113 322 HA ALA 53 HA ALA 53 -1.414 -9.235 4.304 323 1HB ALA 53 1HB ALA 53 -2.835 -8.583 6.192 324 2HB ALA 53 2HB ALA 53 -3.880 -7.613 5.109 325 3HB ALA 53 3HB ALA 53 -3.832 -9.368 4.938 326 H GLN 54 H GLN 54 -3.185 -6.493 2.859 327 HA GLN 54 HA GLN 54 -4.348 -7.971 0.694 328 1HB GLN 54 1HB GLN 54 -4.973 -5.634 1.627 329 2HB GLN 54 2HB GLN 54 -3.607 -5.053 0.771 330 1HG GLN 54 1HG GLN 54 -5.238 -4.610 -0.746 331 2HG GLN 54 2HG GLN 54 -4.847 -6.206 -1.332 332 1HE2 GLN 54 1HE2 GLN 54 -6.707 -7.474 -1.704 333 2HE2 GLN 54 2HE2 GLN 54 -8.238 -7.207 -0.898 334 H ALA 55 H ALA 55 -1.028 -7.030 1.227 335 HA ALA 55 HA ALA 55 -0.398 -7.525 -1.641 336 1HB ALA 55 1HB ALA 55 1.908 -6.923 -0.992 337 2HB ALA 55 2HB ALA 55 0.750 -5.632 -0.610 338 3HB ALA 55 3HB ALA 55 1.389 -6.665 0.682 339 H PHE 56 H PHE 56 0.808 -8.565 1.503 340 HA PHE 56 HA PHE 56 2.332 -10.704 1.133 341 1HB PHE 56 1HB PHE 56 1.786 -9.622 3.311 342 2HB PHE 56 2HB PHE 56 0.246 -10.380 3.314 343 HD1 PHE 56 HD1 PHE 56 3.778 -11.613 2.660 344 HD2 PHE 56 HD2 PHE 56 0.023 -12.262 4.695 345 HE1 PHE 56 HE1 PHE 56 4.719 -13.597 3.748 346 HE2 PHE 56 HE2 PHE 56 0.980 -14.285 5.761 347 HZ PHE 56 HZ PHE 56 3.335 -14.942 5.318 348 H GLY 57 H GLY 57 -1.138 -10.981 1.947 349 1HA GLY 57 1HA GLY 57 -1.125 -13.880 1.473 350 2HA GLY 57 2HA GLY 57 -2.281 -12.928 2.396 351 H ASN 58 H ASN 58 -1.301 -11.852 -0.895 352 HA ASN 58 HA ASN 58 -3.912 -12.510 -1.991 353 1HB ASN 58 1HB ASN 58 -4.216 -10.720 -0.219 354 2HB ASN 58 2HB ASN 58 -3.029 -9.782 -1.084 355 1HD2 ASN 58 1HD2 ASN 58 -3.897 -8.287 -2.402 356 2HD2 ASN 58 2HD2 ASN 58 -5.332 -8.357 -3.329 357 H SER 59 H SER 59 -3.149 -9.835 -3.642 358 HA SER 59 HA SER 59 -2.285 -11.526 -5.738 359 1HB SER 59 1HB SER 59 -3.688 -9.468 -5.898 360 2HB SER 59 2HB SER 59 -2.226 -8.490 -5.714 361 HG SER 59 HG SER 59 -1.526 -9.153 -7.628 362 H CYS 60 H CYS 60 -0.332 -8.991 -3.992 363 HA CYS 60 HA CYS 60 1.992 -9.170 -5.393 364 1HB CYS 60 1HB CYS 60 1.143 -7.816 -3.211 365 2HB CYS 60 2HB CYS 60 2.194 -8.984 -2.411 366 H LEU 61 H LEU 61 3.158 -10.817 -5.909 367 HA LEU 61 HA LEU 61 2.689 -13.362 -4.899 368 1HB LEU 61 1HB LEU 61 4.888 -12.328 -6.710 369 2HB LEU 61 2HB LEU 61 4.880 -13.992 -6.104 370 HG LEU 61 HG LEU 61 2.479 -14.205 -6.971 371 1HD1 LEU 61 1HD1 LEU 61 3.447 -11.842 -8.629 372 2HD1 LEU 61 2HD1 LEU 61 1.978 -12.819 -8.939 373 3HD1 LEU 61 3HD1 LEU 61 2.072 -11.816 -7.505 374 1HD2 LEU 61 1HD2 LEU 61 3.337 -14.837 -9.185 375 2HD2 LEU 61 2HD2 LEU 61 4.847 -13.947 -8.864 376 3HD2 LEU 61 3HD2 LEU 61 4.416 -15.367 -7.892 377 H ASN 62 H ASN 62 5.059 -11.018 -3.817 378 HA ASN 62 HA ASN 62 5.429 -12.434 -1.370 379 1HB ASN 62 1HB ASN 62 7.870 -11.913 -1.329 380 2HB ASN 62 2HB ASN 62 7.479 -13.232 -2.419 381 1HD2 ASN 62 1HD2 ASN 62 7.775 -12.918 -4.708 382 2HD2 ASN 62 2HD2 ASN 62 8.541 -11.451 -5.338 383 H TRP 63 H TRP 63 5.956 -10.751 0.221 384 HA TRP 63 HA TRP 63 5.082 -8.056 -0.636 385 1HB TRP 63 1HB TRP 63 4.782 -7.634 1.743 386 2HB TRP 63 2HB TRP 63 3.847 -9.010 1.207 387 HD1 TRP 63 HD1 TRP 63 6.972 -10.688 1.699 388 HE1 TRP 63 HE1 TRP 63 7.180 -11.705 4.013 389 HE3 TRP 63 HE3 TRP 63 3.256 -8.149 3.968 390 HZ2 TRP 63 HZ2 TRP 63 5.986 -11.355 6.612 391 HZ3 TRP 63 HZ3 TRP 63 2.790 -8.489 6.452 392 HH2 TRP 63 HH2 TRP 63 4.177 -10.074 7.748
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