NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10664 | 1q38 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -13.138 -8.355 12.700 2 2H MET 1 2HT MET 1 -14.721 -8.371 13.297 3 3H MET 1 3HT MET 1 -13.536 -7.444 14.070 4 HA MET 1 HA MET 1 -14.675 -6.994 11.372 5 1HB MET 1 2HB MET 1 -15.363 -4.823 12.447 6 2HB MET 1 1HB MET 1 -16.161 -6.251 13.092 7 1HG MET 1 2HG MET 1 -13.985 -6.019 14.726 8 2HG MET 1 1HG MET 1 -14.388 -4.335 14.393 9 1HE MET 1 1HE MET 1 -14.430 -4.994 17.253 10 2HE MET 1 2HE MET 1 -16.041 -4.597 17.851 11 3HE MET 1 3HE MET 1 -15.229 -3.512 16.724 12 H ARG 2 H ARG 2 -11.948 -6.706 13.387 13 HA ARG 2 HA ARG 2 -10.865 -4.382 12.022 14 1HB ARG 2 2HB ARG 2 -10.192 -5.956 14.422 15 2HB ARG 2 1HB ARG 2 -8.808 -5.343 13.527 16 1HG ARG 2 2HG ARG 2 -9.268 -3.698 15.116 17 2HG ARG 2 1HG ARG 2 -9.961 -3.074 13.617 18 1HD ARG 2 2HD ARG 2 -11.474 -2.750 15.516 19 2HD ARG 2 1HD ARG 2 -12.171 -3.825 14.304 20 HE ARG 2 HE ARG 2 -11.548 -5.686 15.788 21 1HH1 ARG 2 1HH1 ARG 2 -11.754 -2.475 17.121 22 2HH1 ARG 2 2HH1 ARG 2 -12.039 -3.025 18.739 23 1HH2 ARG 2 1HH2 ARG 2 -11.920 -6.420 17.914 24 2HH2 ARG 2 2HH2 ARG 2 -12.133 -5.268 19.189 25 H GLY 3 H GLY 3 -9.223 -7.433 12.792 26 1HA GLY 3 2HA GLY 3 -8.934 -8.481 10.250 27 2HA GLY 3 1HA GLY 3 -7.633 -7.312 10.432 28 H SER 4 H SER 4 -8.136 -10.455 10.502 29 HA SER 4 HA SER 4 -6.639 -11.062 12.930 30 1HB SER 4 2HB SER 4 -7.985 -12.807 10.863 31 2HB SER 4 1HB SER 4 -7.007 -13.458 12.179 32 HG SER 4 HG SER 4 -9.061 -11.648 12.777 33 H ASN 5 H ASN 5 -4.643 -12.139 12.928 34 HA ASN 5 HA ASN 5 -2.935 -11.434 10.719 35 1HB ASN 5 2HB ASN 5 -2.586 -11.877 13.476 36 2HB ASN 5 1HB ASN 5 -1.650 -13.131 12.667 37 1HD2 ASN 5 1HD2 ASN 5 -0.755 -11.901 10.441 38 2HD2 ASN 5 2HD2 ASN 5 0.273 -10.575 10.855 39 H ALA 6 H ALA 6 -1.999 -12.757 9.243 40 HA ALA 6 HA ALA 6 -2.662 -15.625 9.383 41 1HB ALA 6 1HB ALA 6 -2.384 -14.901 6.668 42 2HB ALA 6 2HB ALA 6 -3.465 -13.724 7.414 43 3HB ALA 6 3HB ALA 6 -3.835 -15.445 7.509 44 HA PRO 7 HA PRO 7 1.894 -15.361 9.054 45 1HB PRO 7 2HB PRO 7 2.396 -17.660 10.385 46 2HB PRO 7 1HB PRO 7 2.047 -16.138 11.213 47 1HG PRO 7 2HG PRO 7 0.232 -18.449 10.650 48 2HG PRO 7 1HG PRO 7 0.391 -17.486 12.130 49 1HD PRO 7 2HD PRO 7 -1.596 -17.098 10.313 50 2HD PRO 7 1HD PRO 7 -0.939 -15.795 11.321 51 H GLN 8 H GLN 8 2.416 -15.776 6.996 52 HA GLN 8 HA GLN 8 2.849 -16.874 5.055 53 1HB GLN 8 2HB GLN 8 3.119 -19.340 6.767 54 2HB GLN 8 1HB GLN 8 3.931 -18.990 5.248 55 1HG GLN 8 2HG GLN 8 5.387 -17.475 6.225 56 2HG GLN 8 1HG GLN 8 4.355 -17.242 7.634 57 1HE2 GLN 8 1HE2 GLN 8 4.196 -18.989 9.161 58 2HE2 GLN 8 2HE2 GLN 8 5.525 -20.074 9.364 59 HA PRO 9 HA PRO 9 -1.321 -18.938 4.802 60 1HB PRO 9 2HB PRO 9 -2.786 -16.994 3.717 61 2HB PRO 9 1HB PRO 9 -2.444 -17.008 5.451 62 1HG PRO 9 2HG PRO 9 -1.195 -15.373 3.286 63 2HG PRO 9 1HG PRO 9 -1.623 -14.905 4.941 64 1HD PRO 9 2HD PRO 9 0.923 -15.636 4.071 65 2HD PRO 9 1HD PRO 9 0.380 -15.606 5.760 66 H SER 10 H SER 10 -2.858 -18.362 2.545 67 HA SER 10 HA SER 10 -1.435 -19.708 0.511 68 1HB SER 10 2HB SER 10 -3.403 -19.603 -0.750 69 2HB SER 10 1HB SER 10 -4.006 -19.517 0.905 70 HG SER 10 HG SER 10 -4.994 -17.900 -0.246 71 H HIS 11 H HIS 11 -1.786 -16.382 1.341 72 HA HIS 11 HA HIS 11 -0.703 -15.463 -1.213 73 1HB HIS 11 2HB HIS 11 -2.532 -14.359 0.550 74 2HB HIS 11 1HB HIS 11 -1.062 -13.450 0.882 75 HD2 HIS 11 2HD HIS 11 -0.206 -11.754 -1.134 76 HE1 HIS 11 1HE HIS 11 -3.582 -12.390 -3.605 77 HE2 HIS 11 2HE HIS 11 -1.616 -10.864 -3.121 78 H ILE 12 H ILE 12 0.651 -13.178 -0.112 79 HA ILE 12 HA ILE 12 3.201 -14.361 0.400 80 HB ILE 12 HB ILE 12 3.007 -12.265 -0.854 81 1HG1 ILE 12 2HG1 ILE 12 4.574 -10.901 0.890 82 2HG1 ILE 12 1HG1 ILE 12 4.649 -12.512 1.596 83 1HG2 ILE 12 1HG2 ILE 12 2.235 -10.932 1.731 84 2HG2 ILE 12 2HG2 ILE 12 1.072 -11.402 0.490 85 3HG2 ILE 12 3HG2 ILE 12 2.321 -10.211 0.123 86 1HD1 ILE 12 1HD1 ILE 12 5.693 -13.416 -0.258 87 2HD1 ILE 12 2HD1 ILE 12 6.424 -11.816 -0.126 88 3HD1 ILE 12 3HD1 ILE 12 5.159 -12.113 -1.319 89 H SER 13 H SER 13 4.493 -14.137 2.286 90 HA SER 13 HA SER 13 3.274 -14.693 4.706 91 1HB SER 13 2HB SER 13 5.999 -13.693 3.956 92 2HB SER 13 1HB SER 13 5.551 -13.776 5.659 93 HG SER 13 HG SER 13 6.531 -15.711 4.378 94 H LYS 14 H LYS 14 4.420 -11.591 3.452 95 HA LYS 14 HA LYS 14 2.414 -10.109 4.777 96 1HB LYS 14 2HB LYS 14 3.652 -8.948 6.450 97 2HB LYS 14 1HB LYS 14 3.939 -10.663 6.709 98 1HG LYS 14 2HG LYS 14 6.060 -10.285 5.283 99 2HG LYS 14 1HG LYS 14 5.797 -8.579 5.647 100 1HD LYS 14 2HD LYS 14 6.763 -8.862 7.628 101 2HD LYS 14 1HD LYS 14 5.511 -10.026 8.066 102 1HE LYS 14 2HE LYS 14 8.127 -10.596 6.682 103 2HE LYS 14 1HE LYS 14 7.664 -11.067 8.316 104 1HZ LYS 14 1HZ LYS 14 7.182 -12.984 7.242 105 2HZ LYS 14 2HZ LYS 14 6.888 -12.230 5.756 106 3HZ LYS 14 3HZ LYS 14 5.707 -12.200 6.967 107 H TYR 15 H TYR 15 2.288 -8.022 4.016 108 HA TYR 15 HA TYR 15 4.192 -7.326 1.889 109 1HB TYR 15 2HB TYR 15 1.359 -7.288 2.021 110 2HB TYR 15 1HB TYR 15 1.881 -5.610 1.957 111 HD1 TYR 15 1HD TYR 15 0.639 -7.998 -0.041 112 HD2 TYR 15 2HD TYR 15 4.089 -5.518 0.165 113 HE1 TYR 15 1HE TYR 15 0.910 -8.181 -2.480 114 HE2 TYR 15 2HE TYR 15 4.370 -5.695 -2.270 115 HH TYR 15 HH TYR 15 2.007 -7.402 -4.274 116 H ILE 16 H ILE 16 5.124 -5.247 1.826 117 HA ILE 16 HA ILE 16 4.906 -3.749 4.351 118 HB ILE 16 HB ILE 16 7.253 -4.640 2.860 119 1HG1 ILE 16 2HG1 ILE 16 6.747 -5.086 5.256 120 2HG1 ILE 16 1HG1 ILE 16 8.323 -4.336 5.016 121 1HG2 ILE 16 1HG2 ILE 16 8.575 -2.556 3.347 122 2HG2 ILE 16 2HG2 ILE 16 7.036 -1.720 3.563 123 3HG2 ILE 16 3HG2 ILE 16 7.440 -2.436 2.002 124 1HD1 ILE 16 1HD1 ILE 16 7.099 -3.418 6.941 125 2HD1 ILE 16 2HD1 ILE 16 5.828 -2.871 5.846 126 3HD1 ILE 16 3HD1 ILE 16 7.454 -2.198 5.717 127 H LEU 17 H LEU 17 4.123 -1.767 4.236 128 HA LEU 17 HA LEU 17 4.059 -0.461 1.600 129 1HB LEU 17 2HB LEU 17 1.901 -1.139 2.981 130 2HB LEU 17 1HB LEU 17 2.239 0.370 3.806 131 HG LEU 17 HG LEU 17 2.262 0.576 0.877 132 1HD1 LEU 17 1HD1 LEU 17 -0.171 0.494 0.657 133 2HD1 LEU 17 2HD1 LEU 17 -0.306 -0.055 2.328 134 3HD1 LEU 17 3HD1 LEU 17 0.485 -1.075 1.126 135 1HD2 LEU 17 1HD2 LEU 17 0.471 2.377 1.866 136 2HD2 LEU 17 2HD2 LEU 17 2.201 2.664 1.690 137 3HD2 LEU 17 3HD2 LEU 17 1.548 2.145 3.243 138 H ARG 18 H ARG 18 5.495 1.109 1.435 139 HA ARG 18 HA ARG 18 6.104 2.702 3.832 140 1HB ARG 18 2HB ARG 18 7.918 2.433 1.445 141 2HB ARG 18 1HB ARG 18 8.315 3.035 3.047 142 1HG ARG 18 2HG ARG 18 8.707 0.987 3.858 143 2HG ARG 18 1HG ARG 18 7.343 0.272 2.996 144 1HD ARG 18 2HD ARG 18 9.050 -0.736 1.875 145 2HD ARG 18 1HD ARG 18 8.902 0.729 0.906 146 HE ARG 18 HE ARG 18 10.731 1.547 2.575 147 1HH1 ARG 18 1HH1 ARG 18 10.429 -1.628 1.169 148 2HH1 ARG 18 2HH1 ARG 18 12.131 -1.944 1.198 149 1HH2 ARG 18 1HH2 ARG 18 12.975 1.139 2.618 150 2HH2 ARG 18 2HH2 ARG 18 13.579 -0.372 2.020 151 H TRP 19 H TRP 19 5.671 4.820 3.772 152 HA TRP 19 HA TRP 19 5.453 6.123 1.178 153 1HB TRP 19 2HB TRP 19 3.279 6.964 1.481 154 2HB TRP 19 1HB TRP 19 3.171 5.266 1.923 155 HD1 TRP 19 HD TRP 19 2.643 8.732 3.281 156 HE1 TRP 19 1HE TRP 19 1.745 8.580 5.692 157 HE3 TRP 19 3HE TRP 19 3.376 3.741 4.111 158 HZ2 TRP 19 2HZ TRP 19 1.395 6.604 7.678 159 HZ3 TRP 19 3HZ TRP 19 2.735 2.798 6.290 160 HH2 TRP 19 HH TRP 19 1.763 4.201 8.037 161 H ARG 20 H ARG 20 5.692 8.332 1.168 162 HA ARG 20 HA ARG 20 6.156 9.781 3.624 163 1HB ARG 20 2HB ARG 20 8.354 9.250 3.679 164 2HB ARG 20 1HB ARG 20 8.361 8.701 2.011 165 1HG ARG 20 2HG ARG 20 8.167 11.618 2.426 166 2HG ARG 20 1HG ARG 20 9.697 10.855 2.859 167 1HD ARG 20 2HD ARG 20 8.837 9.798 0.360 168 2HD ARG 20 1HD ARG 20 8.731 11.556 0.283 169 HE ARG 20 HE ARG 20 11.199 10.913 1.400 170 1HH1 ARG 20 1HH1 ARG 20 9.517 10.493 -1.623 171 2HH1 ARG 20 2HH1 ARG 20 10.962 10.518 -2.578 172 1HH2 ARG 20 1HH2 ARG 20 13.105 10.948 0.149 173 2HH2 ARG 20 2HH2 ARG 20 13.000 10.776 -1.571 174 HA PRO 21 HA PRO 21 4.486 13.052 1.173 175 1HB PRO 21 2HB PRO 21 6.316 14.813 2.725 176 2HB PRO 21 1HB PRO 21 4.564 14.919 2.510 177 1HG PRO 21 2HG PRO 21 5.564 14.063 4.812 178 2HG PRO 21 1HG PRO 21 4.140 13.279 4.099 179 1HD PRO 21 2HD PRO 21 6.982 12.361 4.118 180 2HD PRO 21 1HD PRO 21 5.496 11.424 4.366 181 H LYS 22 H LYS 22 5.182 13.029 -0.885 182 HA LYS 22 HA LYS 22 7.935 13.391 -1.602 183 1HB LYS 22 2HB LYS 22 6.368 11.956 -2.881 184 2HB LYS 22 1HB LYS 22 5.463 13.389 -3.333 185 1HG LYS 22 2HG LYS 22 6.762 13.094 -5.193 186 2HG LYS 22 1HG LYS 22 7.780 14.190 -4.257 187 1HD LYS 22 2HD LYS 22 8.486 11.659 -3.360 188 2HD LYS 22 1HD LYS 22 8.280 11.462 -5.102 189 1HE LYS 22 2HE LYS 22 10.587 12.063 -4.496 190 2HE LYS 22 1HE LYS 22 9.826 13.280 -5.519 191 1HZ LYS 22 1HZ LYS 22 9.386 13.859 -2.779 192 2HZ LYS 22 2HZ LYS 22 10.141 14.805 -3.961 193 3HZ LYS 22 3HZ LYS 22 11.042 13.680 -3.076 194 H ASN 23 H ASN 23 5.186 15.421 -1.158 195 HA ASN 23 HA ASN 23 6.406 17.643 -2.610 196 1HB ASN 23 2HB ASN 23 3.933 17.066 -2.788 197 2HB ASN 23 1HB ASN 23 3.771 17.664 -1.140 198 1HD2 ASN 23 1HD2 ASN 23 5.747 18.862 -3.813 199 2HD2 ASN 23 2HD2 ASN 23 5.022 20.428 -3.878 200 H SER 24 H SER 24 6.053 16.428 0.576 201 HA SER 24 HA SER 24 6.921 19.004 1.706 202 1HB SER 24 2HB SER 24 5.075 16.936 2.639 203 2HB SER 24 1HB SER 24 6.256 17.410 3.859 204 HG SER 24 HG SER 24 4.466 19.097 2.447 205 H VAL 25 H VAL 25 8.183 16.244 0.604 206 HA VAL 25 HA VAL 25 9.922 14.837 1.168 207 HB VAL 25 HB VAL 25 11.011 16.633 0.006 208 1HG1 VAL 25 1HG1 VAL 25 12.166 18.322 1.814 209 2HG1 VAL 25 2HG1 VAL 25 10.557 18.090 2.496 210 3HG1 VAL 25 3HG1 VAL 25 10.737 18.685 0.846 211 1HG2 VAL 25 1HG2 VAL 25 13.183 16.171 0.614 212 2HG2 VAL 25 2HG2 VAL 25 12.315 14.833 1.367 213 3HG2 VAL 25 3HG2 VAL 25 12.822 16.212 2.341 214 H GLY 26 H GLY 26 9.161 13.824 3.060 215 1HA GLY 26 2HA GLY 26 10.524 14.765 5.505 216 2HA GLY 26 1HA GLY 26 8.876 14.157 5.549 217 H ARG 27 H ARG 27 9.322 12.464 6.944 218 HA ARG 27 HA ARG 27 11.308 10.486 6.111 219 1HB ARG 27 2HB ARG 27 9.713 10.814 8.655 220 2HB ARG 27 1HB ARG 27 10.770 9.442 8.345 221 1HG ARG 27 2HG ARG 27 12.696 10.760 8.402 222 2HG ARG 27 1HG ARG 27 11.784 12.258 8.201 223 1HD ARG 27 2HD ARG 27 11.056 12.260 10.404 224 2HD ARG 27 1HD ARG 27 11.332 10.529 10.600 225 HE ARG 27 HE ARG 27 13.780 11.146 10.468 226 1HH1 ARG 27 1HH1 ARG 27 11.354 13.343 11.667 227 2HH1 ARG 27 2HH1 ARG 27 12.458 14.211 12.681 228 1HH2 ARG 27 1HH2 ARG 27 15.238 12.282 11.801 229 2HH2 ARG 27 2HH2 ARG 27 14.667 13.609 12.755 230 H TRP 28 H TRP 28 10.752 8.205 6.095 231 HA TRP 28 HA TRP 28 8.170 7.773 4.837 232 1HB TRP 28 2HB TRP 28 10.584 5.990 5.202 233 2HB TRP 28 1HB TRP 28 9.094 5.458 4.433 234 HD1 TRP 28 HD TRP 28 11.910 8.060 3.903 235 HE1 TRP 28 1HE TRP 28 12.101 8.516 1.377 236 HE3 TRP 28 3HE TRP 28 7.952 5.268 2.270 237 HZ2 TRP 28 2HZ TRP 28 10.755 7.788 -0.993 238 HZ3 TRP 28 3HZ TRP 28 7.469 5.203 -0.141 239 HH2 TRP 28 HH TRP 28 8.843 6.436 -1.738 240 H LYS 29 H LYS 29 7.150 5.544 5.362 241 HA LYS 29 HA LYS 29 7.262 4.864 8.194 242 1HB LYS 29 2HB LYS 29 5.064 6.341 6.933 243 2HB LYS 29 1HB LYS 29 4.537 4.882 7.761 244 1HG LYS 29 2HG LYS 29 5.685 5.661 9.800 245 2HG LYS 29 1HG LYS 29 6.113 7.152 8.959 246 1HD LYS 29 2HD LYS 29 3.916 7.898 8.899 247 2HD LYS 29 1HD LYS 29 3.255 6.276 9.113 248 1HE LYS 29 2HE LYS 29 3.001 6.793 11.264 249 2HE LYS 29 1HE LYS 29 4.755 6.684 11.398 250 1HZ LYS 29 1HZ LYS 29 3.479 8.828 12.131 251 2HZ LYS 29 2HZ LYS 29 3.581 9.209 10.486 252 3HZ LYS 29 3HZ LYS 29 4.990 8.938 11.381 253 H GLU 30 H GLU 30 6.255 2.771 8.636 254 HA GLU 30 HA GLU 30 5.874 1.199 6.174 255 1HB GLU 30 2HB GLU 30 7.211 0.244 8.705 256 2HB GLU 30 1HB GLU 30 6.994 -0.683 7.227 257 1HG GLU 30 2HG GLU 30 8.691 0.355 6.158 258 2HG GLU 30 1HG GLU 30 8.411 1.893 6.970 259 H ALA 31 H ALA 31 4.302 -0.281 6.089 260 HA ALA 31 HA ALA 31 2.715 -0.881 8.473 261 1HB ALA 31 1HB ALA 31 0.709 -0.126 7.648 262 2HB ALA 31 2HB ALA 31 1.232 -0.245 5.967 263 3HB ALA 31 3HB ALA 31 1.799 1.087 6.975 264 H THR 32 H THR 32 2.830 -3.042 8.583 265 HA THR 32 HA THR 32 3.135 -4.594 6.148 266 HB THR 32 HB THR 32 2.960 -6.041 8.708 267 HG1 THR 32 1HG THR 32 4.673 -3.875 8.321 268 1HG2 THR 32 1HG2 THR 32 4.920 -7.170 7.805 269 2HG2 THR 32 2HG2 THR 32 5.022 -5.985 6.502 270 3HG2 THR 32 3HG2 THR 32 3.648 -7.088 6.586 271 H ILE 33 H ILE 33 1.621 -5.718 5.183 272 HA ILE 33 HA ILE 33 -0.770 -6.565 6.657 273 HB ILE 33 HB ILE 33 -1.161 -5.614 3.860 274 1HG1 ILE 33 2HG1 ILE 33 -1.604 -3.593 5.993 275 2HG1 ILE 33 1HG1 ILE 33 0.063 -3.858 5.487 276 1HG2 ILE 33 1HG2 ILE 33 -2.885 -5.572 6.333 277 2HG2 ILE 33 2HG2 ILE 33 -2.958 -6.753 5.025 278 3HG2 ILE 33 3HG2 ILE 33 -3.391 -5.072 4.720 279 1HD1 ILE 33 1HD1 ILE 33 -0.636 -2.134 4.122 280 2HD1 ILE 33 2HD1 ILE 33 -2.247 -2.818 3.909 281 3HD1 ILE 33 3HD1 ILE 33 -0.864 -3.552 3.099 282 HA PRO 34 HA PRO 34 0.833 -10.219 4.511 283 1HB PRO 34 2HB PRO 34 -1.317 -11.569 6.011 284 2HB PRO 34 1HB PRO 34 0.422 -11.884 5.999 285 1HG PRO 34 2HG PRO 34 -0.780 -10.753 8.113 286 2HG PRO 34 1HG PRO 34 0.858 -10.291 7.615 287 1HD PRO 34 2HD PRO 34 -1.738 -8.872 7.145 288 2HD PRO 34 1HD PRO 34 -0.155 -8.203 7.591 289 H GLY 35 H GLY 35 0.051 -9.618 2.450 290 1HA GLY 35 2HA GLY 35 -1.179 -10.072 0.561 291 2HA GLY 35 1HA GLY 35 -2.076 -11.255 1.500 292 H HIS 36 H HIS 36 -4.024 -10.646 0.508 293 HA HIS 36 HA HIS 36 -5.002 -7.956 1.181 294 1HB HIS 36 2HB HIS 36 -4.974 -8.913 -1.252 295 2HB HIS 36 1HB HIS 36 -6.400 -9.802 -0.728 296 HD2 HIS 36 2HD HIS 36 -6.702 -6.542 0.991 297 HE1 HIS 36 1HE HIS 36 -8.465 -5.970 -2.813 298 HE2 HIS 36 2HE HIS 36 -8.050 -4.935 -0.536 299 H LEU 37 H LEU 37 -5.254 -8.900 3.406 300 HA LEU 37 HA LEU 37 -7.243 -10.870 3.894 301 1HB LEU 37 2HB LEU 37 -7.170 -9.759 6.255 302 2HB LEU 37 1HB LEU 37 -5.802 -10.688 5.674 303 HG LEU 37 HG LEU 37 -5.713 -7.792 5.095 304 1HD1 LEU 37 1HD1 LEU 37 -6.392 -8.642 7.695 305 2HD1 LEU 37 2HD1 LEU 37 -5.912 -7.030 7.166 306 3HD1 LEU 37 3HD1 LEU 37 -4.692 -8.173 7.729 307 1HD2 LEU 37 1HD2 LEU 37 -3.718 -9.759 6.209 308 2HD2 LEU 37 2HD2 LEU 37 -3.371 -8.113 5.682 309 3HD2 LEU 37 3HD2 LEU 37 -3.894 -9.322 4.510 310 H ASN 38 H ASN 38 -7.280 -7.400 3.541 311 HA ASN 38 HA ASN 38 -10.071 -7.328 3.080 312 1HB ASN 38 2HB ASN 38 -10.911 -6.269 5.000 313 2HB ASN 38 1HB ASN 38 -9.878 -7.541 5.643 314 1HD2 ASN 38 1HD2 ASN 38 -10.731 -4.447 6.047 315 2HD2 ASN 38 2HD2 ASN 38 -9.298 -3.820 6.780 316 H SER 39 H SER 39 -10.799 -4.845 3.251 317 HA SER 39 HA SER 39 -9.034 -3.456 1.466 318 1HB SER 39 2HB SER 39 -11.582 -2.467 2.769 319 2HB SER 39 1HB SER 39 -10.783 -1.767 1.361 320 HG SER 39 HG SER 39 -11.382 -3.482 0.152 321 H TYR 40 H TYR 40 -7.239 -2.564 2.279 322 HA TYR 40 HA TYR 40 -7.508 -0.874 4.678 323 1HB TYR 40 2HB TYR 40 -6.098 -3.104 4.767 324 2HB TYR 40 1HB TYR 40 -4.879 -2.115 3.970 325 HD1 TYR 40 1HD TYR 40 -6.247 -3.094 7.081 326 HD2 TYR 40 2HD TYR 40 -4.320 0.157 5.125 327 HE1 TYR 40 1HE TYR 40 -5.568 -2.190 9.265 328 HE2 TYR 40 2HE TYR 40 -3.636 1.070 7.303 329 HH TYR 40 HH TYR 40 -3.239 0.200 9.621 330 H THR 41 H THR 41 -7.366 1.189 4.109 331 HA THR 41 HA THR 41 -5.332 1.957 2.122 332 HB THR 41 HB THR 41 -8.052 3.248 2.392 333 HG1 THR 41 1HG THR 41 -8.705 1.785 1.018 334 1HG2 THR 41 1HG2 THR 41 -7.205 4.913 1.182 335 2HG2 THR 41 2HG2 THR 41 -6.749 3.772 -0.083 336 3HG2 THR 41 3HG2 THR 41 -5.622 4.139 1.224 337 H ILE 42 H ILE 42 -3.945 3.459 2.798 338 HA ILE 42 HA ILE 42 -4.303 4.660 5.407 339 HB ILE 42 HB ILE 42 -2.036 4.642 3.429 340 1HG1 ILE 42 2HG1 ILE 42 -1.748 3.914 6.294 341 2HG1 ILE 42 1HG1 ILE 42 -2.708 2.831 5.291 342 1HG2 ILE 42 1HG2 ILE 42 -2.128 6.206 6.007 343 2HG2 ILE 42 2HG2 ILE 42 -2.139 6.896 4.384 344 3HG2 ILE 42 3HG2 ILE 42 -0.724 6.011 4.957 345 1HD1 ILE 42 1HD1 ILE 42 -0.396 3.366 3.821 346 2HD1 ILE 42 2HD1 ILE 42 -0.825 1.872 4.652 347 3HD1 ILE 42 3HD1 ILE 42 0.136 3.098 5.481 348 H LYS 43 H LYS 43 -5.156 6.600 5.753 349 HA LYS 43 HA LYS 43 -5.157 8.546 3.542 350 1HB LYS 43 2HB LYS 43 -7.359 7.577 5.262 351 2HB LYS 43 1HB LYS 43 -7.320 9.312 4.975 352 1HG LYS 43 2HG LYS 43 -8.126 9.067 2.926 353 2HG LYS 43 1HG LYS 43 -6.912 7.851 2.524 354 1HD LYS 43 2HD LYS 43 -8.688 6.470 2.397 355 2HD LYS 43 1HD LYS 43 -8.546 6.431 4.156 356 1HE LYS 43 2HE LYS 43 -10.056 8.729 3.287 357 2HE LYS 43 1HE LYS 43 -10.755 7.239 2.655 358 1HZ LYS 43 1HZ LYS 43 -10.036 7.553 5.508 359 2HZ LYS 43 2HZ LYS 43 -11.045 6.393 4.806 360 3HZ LYS 43 3HZ LYS 43 -11.554 8.002 4.908 361 H GLY 44 H GLY 44 -6.414 10.587 5.154 362 1HA GLY 44 2HA GLY 44 -5.957 11.980 7.012 363 2HA GLY 44 1HA GLY 44 -4.486 11.064 7.304 364 H LEU 45 H LEU 45 -4.990 11.882 4.051 365 HA LEU 45 HA LEU 45 -2.907 13.935 4.239 366 1HB LEU 45 2HB LEU 45 -3.675 12.925 1.570 367 2HB LEU 45 1HB LEU 45 -2.086 13.194 2.266 368 HG LEU 45 HG LEU 45 -2.821 11.052 3.711 369 1HD1 LEU 45 1HD1 LEU 45 -3.965 9.445 2.312 370 2HD1 LEU 45 2HD1 LEU 45 -4.145 10.649 1.035 371 3HD1 LEU 45 3HD1 LEU 45 -4.985 10.859 2.571 372 1HD2 LEU 45 1HD2 LEU 45 -0.766 11.314 2.402 373 2HD2 LEU 45 2HD2 LEU 45 -1.662 10.923 0.934 374 3HD2 LEU 45 3HD2 LEU 45 -1.480 9.713 2.205 375 H LYS 46 H LYS 46 -3.312 15.239 1.798 376 HA LYS 46 HA LYS 46 -6.042 16.286 1.874 377 1HB LYS 46 2HB LYS 46 -5.283 18.594 2.104 378 2HB LYS 46 1HB LYS 46 -4.764 17.641 3.487 379 1HG LYS 46 2HG LYS 46 -2.651 18.162 3.109 380 2HG LYS 46 1HG LYS 46 -2.748 17.592 1.447 381 1HD LYS 46 2HD LYS 46 -2.397 19.724 0.908 382 2HD LYS 46 1HD LYS 46 -4.087 19.969 1.344 383 1HE LYS 46 2HE LYS 46 -1.891 20.149 3.379 384 2HE LYS 46 1HE LYS 46 -2.333 21.532 2.377 385 1HZ LYS 46 1HZ LYS 46 -3.650 21.843 4.208 386 2HZ LYS 46 2HZ LYS 46 -3.887 20.190 4.478 387 3HZ LYS 46 3HZ LYS 46 -4.709 20.967 3.220 388 HA PRO 47 HA PRO 47 -5.559 16.754 -2.480 389 1HB PRO 47 2HB PRO 47 -6.828 19.098 -3.024 390 2HB PRO 47 1HB PRO 47 -7.684 17.610 -2.606 391 1HG PRO 47 2HG PRO 47 -6.993 19.949 -0.872 392 2HG PRO 47 1HG PRO 47 -8.503 19.023 -0.954 393 1HD PRO 47 2HD PRO 47 -6.669 18.627 0.991 394 2HD PRO 47 1HD PRO 47 -7.675 17.311 0.352 395 H GLY 48 H GLY 48 -4.222 17.618 -4.020 396 1HA GLY 48 2HA GLY 48 -2.789 19.180 -4.999 397 2HA GLY 48 1HA GLY 48 -2.933 20.180 -3.565 398 H VAL 49 H VAL 49 -2.288 17.137 -2.464 399 HA VAL 49 HA VAL 49 0.619 17.626 -2.549 400 HB VAL 49 HB VAL 49 -0.492 18.010 -0.292 401 1HG1 VAL 49 1HG1 VAL 49 -1.269 16.252 0.993 402 2HG1 VAL 49 2HG1 VAL 49 -0.462 15.037 0.001 403 3HG1 VAL 49 3HG1 VAL 49 -1.898 15.859 -0.607 404 1HG2 VAL 49 1HG2 VAL 49 1.326 16.586 0.875 405 2HG2 VAL 49 2HG2 VAL 49 1.824 17.850 -0.251 406 3HG2 VAL 49 3HG2 VAL 49 1.815 16.162 -0.766 407 H VAL 50 H VAL 50 1.954 15.953 -2.997 408 HA VAL 50 HA VAL 50 0.652 13.371 -3.548 409 HB VAL 50 HB VAL 50 2.249 15.000 -5.257 410 1HG1 VAL 50 1HG1 VAL 50 3.828 13.147 -6.020 411 2HG1 VAL 50 2HG1 VAL 50 3.575 12.441 -4.423 412 3HG1 VAL 50 3HG1 VAL 50 4.278 14.053 -4.576 413 1HG2 VAL 50 1HG2 VAL 50 0.235 13.486 -5.705 414 2HG2 VAL 50 2HG2 VAL 50 1.417 12.178 -5.822 415 3HG2 VAL 50 3HG2 VAL 50 1.503 13.550 -6.930 416 H TYR 51 H TYR 51 1.358 11.628 -2.507 417 HA TYR 51 HA TYR 51 3.819 11.859 -0.908 418 1HB TYR 51 2HB TYR 51 1.335 10.153 -0.555 419 2HB TYR 51 1HB TYR 51 2.855 9.737 0.226 420 HD1 TYR 51 1HD TYR 51 0.415 12.532 -0.093 421 HD2 TYR 51 2HD TYR 51 3.390 10.642 2.285 422 HE1 TYR 51 1HE TYR 51 -0.128 14.038 1.775 423 HE2 TYR 51 2HE TYR 51 2.870 12.146 4.153 424 HH TYR 51 HH TYR 51 1.633 14.781 4.107 425 H GLU 52 H GLU 52 4.648 9.361 -0.596 426 HA GLU 52 HA GLU 52 4.766 8.262 -3.339 427 1HB GLU 52 2HB GLU 52 6.937 9.068 -1.528 428 2HB GLU 52 1HB GLU 52 7.128 7.442 -2.165 429 1HG GLU 52 2HG GLU 52 6.578 9.807 -3.925 430 2HG GLU 52 1HG GLU 52 8.209 9.316 -3.468 431 H GLY 53 H GLY 53 4.247 6.131 -3.490 432 1HA GLY 53 2HA GLY 53 4.092 4.626 -0.950 433 2HA GLY 53 1HA GLY 53 2.883 4.488 -2.214 434 H GLN 54 H GLN 54 5.135 2.774 -0.820 435 HA GLN 54 HA GLN 54 5.814 1.324 -3.281 436 1HB GLN 54 2HB GLN 54 7.770 1.614 -1.007 437 2HB GLN 54 1HB GLN 54 8.069 0.983 -2.620 438 1HG GLN 54 2HG GLN 54 7.220 3.518 -3.156 439 2HG GLN 54 1HG GLN 54 8.090 3.732 -1.638 440 1HE2 GLN 54 1HE2 GLN 54 9.997 1.691 -2.003 441 2HE2 GLN 54 2HE2 GLN 54 11.075 2.184 -3.261 442 H LEU 55 H LEU 55 4.871 -0.626 -3.116 443 HA LEU 55 HA LEU 55 4.595 -1.813 -0.446 444 1HB LEU 55 2HB LEU 55 2.941 -1.792 -2.824 445 2HB LEU 55 1HB LEU 55 3.230 -3.426 -2.263 446 HG LEU 55 HG LEU 55 2.020 -1.178 -0.651 447 1HD1 LEU 55 1HD1 LEU 55 0.486 -3.614 -0.988 448 2HD1 LEU 55 2HD1 LEU 55 0.847 -2.828 -2.526 449 3HD1 LEU 55 3HD1 LEU 55 0.016 -1.935 -1.252 450 1HD2 LEU 55 1HD2 LEU 55 2.661 -2.301 1.156 451 2HD2 LEU 55 2HD2 LEU 55 3.326 -3.608 0.177 452 3HD2 LEU 55 3HD2 LEU 55 1.621 -3.626 0.633 453 H ILE 56 H ILE 56 6.289 -3.015 0.059 454 HA ILE 56 HA ILE 56 7.439 -4.788 -1.981 455 HB ILE 56 HB ILE 56 8.645 -3.684 0.558 456 1HG1 ILE 56 2HG1 ILE 56 10.373 -2.911 -1.242 457 2HG1 ILE 56 1HG1 ILE 56 9.060 -3.191 -2.382 458 1HG2 ILE 56 1HG2 ILE 56 9.260 -6.071 0.112 459 2HG2 ILE 56 2HG2 ILE 56 10.619 -4.946 0.129 460 3HG2 ILE 56 3HG2 ILE 56 9.981 -5.535 -1.406 461 1HD1 ILE 56 1HD1 ILE 56 8.872 -1.376 0.013 462 2HD1 ILE 56 2HD1 ILE 56 7.693 -1.558 -1.285 463 3HD1 ILE 56 3HD1 ILE 56 9.268 -0.842 -1.620 464 H SER 57 H SER 57 6.842 -6.866 -1.820 465 HA SER 57 HA SER 57 5.644 -7.848 0.609 466 1HB SER 57 2HB SER 57 5.710 -8.667 -2.173 467 2HB SER 57 1HB SER 57 5.978 -10.029 -1.088 468 HG SER 57 HG SER 57 3.784 -9.794 -1.362 469 H ILE 58 H ILE 58 6.412 -9.303 1.962 470 HA ILE 58 HA ILE 58 9.220 -10.113 1.727 471 HB ILE 58 HB ILE 58 7.775 -9.638 4.324 472 1HG1 ILE 58 2HG1 ILE 58 9.736 -7.814 2.910 473 2HG1 ILE 58 1HG1 ILE 58 7.998 -7.542 2.996 474 1HG2 ILE 58 1HG2 ILE 58 10.661 -9.446 4.315 475 2HG2 ILE 58 2HG2 ILE 58 10.107 -11.012 3.718 476 3HG2 ILE 58 3HG2 ILE 58 9.601 -10.445 5.310 477 1HD1 ILE 58 1HD1 ILE 58 9.914 -6.620 4.761 478 2HD1 ILE 58 2HD1 ILE 58 9.139 -7.953 5.617 479 3HD1 ILE 58 3HD1 ILE 58 8.167 -6.615 5.002 480 H GLN 59 H GLN 59 9.705 -12.224 1.931 481 HA GLN 59 HA GLN 59 7.575 -14.080 2.703 482 1HB GLN 59 2HB GLN 59 9.794 -14.201 0.746 483 2HB GLN 59 1HB GLN 59 9.434 -15.679 1.613 484 1HG GLN 59 2HG GLN 59 7.195 -14.183 0.391 485 2HG GLN 59 1HG GLN 59 8.272 -15.091 -0.669 486 1HE2 GLN 59 1HE2 GLN 59 6.625 -15.560 2.446 487 2HE2 GLN 59 2HE2 GLN 59 6.063 -17.157 2.100 488 H GLN 60 H GLN 60 8.928 -16.282 3.342 489 HA GLN 60 HA GLN 60 9.788 -15.820 5.965 490 1HB GLN 60 2HB GLN 60 10.787 -18.229 5.633 491 2HB GLN 60 1HB GLN 60 9.047 -17.981 5.662 492 1HG GLN 60 2HG GLN 60 8.793 -18.529 3.494 493 2HG GLN 60 1HG GLN 60 10.319 -17.788 3.015 494 1HE2 GLN 60 1HE2 GLN 60 10.184 -19.882 1.721 495 2HE2 GLN 60 2HE2 GLN 60 10.961 -21.257 2.422 496 H TYR 61 H TYR 61 11.528 -15.740 2.954 497 HA TYR 61 HA TYR 61 14.080 -15.671 4.406 498 1HB TYR 61 2HB TYR 61 15.010 -15.729 1.973 499 2HB TYR 61 1HB TYR 61 14.380 -17.201 2.698 500 HD1 TYR 61 1HD TYR 61 13.908 -14.681 0.115 501 HD2 TYR 61 2HD TYR 61 12.221 -18.122 1.964 502 HE1 TYR 61 1HE TYR 61 12.382 -14.949 -1.791 503 HE2 TYR 61 2HE TYR 61 10.687 -18.398 0.061 504 HH TYR 61 HH TYR 61 11.059 -16.674 -2.864 505 H GLY 62 H GLY 62 11.790 -13.570 3.250 506 1HA GLY 62 2HA GLY 62 11.867 -11.248 3.306 507 2HA GLY 62 1HA GLY 62 13.602 -11.339 3.531 508 H HIS 63 H HIS 63 12.154 -9.524 1.866 509 HA HIS 63 HA HIS 63 12.309 -8.524 -0.164 510 1HB HIS 63 2HB HIS 63 14.491 -10.490 -0.845 511 2HB HIS 63 1HB HIS 63 14.268 -8.860 -1.471 512 HD2 HIS 63 2HD HIS 63 16.425 -10.599 0.974 513 HE1 HIS 63 1HE HIS 63 16.105 -6.623 2.389 514 HE2 HIS 63 2HE HIS 63 17.480 -8.752 2.459 515 H GLN 64 H GLN 64 10.356 -9.050 -1.092 516 HA GLN 64 HA GLN 64 10.393 -11.385 -2.874 517 1HB GLN 64 2HB GLN 64 7.964 -10.318 -1.467 518 2HB GLN 64 1HB GLN 64 8.032 -11.722 -2.523 519 1HG GLN 64 2HG GLN 64 9.001 -11.391 0.260 520 2HG GLN 64 1HG GLN 64 8.076 -12.702 -0.466 521 1HE2 GLN 64 1HE2 GLN 64 9.556 -13.442 -2.574 522 2HE2 GLN 64 2HE2 GLN 64 11.103 -14.011 -2.062 523 H GLU 65 H GLU 65 7.783 -9.112 -2.595 524 HA GLU 65 HA GLU 65 8.091 -8.400 -5.411 525 1HB GLU 65 2HB GLU 65 5.934 -9.268 -4.095 526 2HB GLU 65 1HB GLU 65 5.737 -7.545 -3.808 527 1HG GLU 65 2HG GLU 65 4.970 -7.215 -5.860 528 2HG GLU 65 1HG GLU 65 6.352 -8.045 -6.575 529 H VAL 66 H VAL 66 8.147 -6.291 -6.156 530 HA VAL 66 HA VAL 66 8.293 -4.145 -4.158 531 HB VAL 66 HB VAL 66 10.253 -4.391 -6.440 532 1HG1 VAL 66 1HG1 VAL 66 9.532 -2.097 -5.549 533 2HG1 VAL 66 2HG1 VAL 66 11.259 -2.438 -5.652 534 3HG1 VAL 66 3HG1 VAL 66 10.435 -2.531 -4.097 535 1HG2 VAL 66 1HG2 VAL 66 11.882 -4.613 -4.427 536 2HG2 VAL 66 2HG2 VAL 66 11.004 -6.033 -4.997 537 3HG2 VAL 66 3HG2 VAL 66 10.449 -5.171 -3.562 538 H THR 67 H THR 67 6.729 -2.744 -4.664 539 HA THR 67 HA THR 67 6.315 -2.094 -7.506 540 HB THR 67 HB THR 67 3.927 -1.875 -5.798 541 HG1 THR 67 1HG THR 67 4.954 -3.914 -5.152 542 1HG2 THR 67 1HG2 THR 67 2.935 -2.987 -7.841 543 2HG2 THR 67 2HG2 THR 67 4.544 -2.906 -8.561 544 3HG2 THR 67 3HG2 THR 67 3.699 -1.422 -8.120 545 H ARG 68 H ARG 68 6.173 0.009 -8.001 546 HA ARG 68 HA ARG 68 6.174 1.938 -5.778 547 1HB ARG 68 2HB ARG 68 7.169 2.600 -8.525 548 2HB ARG 68 1HB ARG 68 7.623 3.305 -6.979 549 1HG ARG 68 2HG ARG 68 9.407 2.000 -6.957 550 2HG ARG 68 1HG ARG 68 8.345 0.599 -6.837 551 1HD ARG 68 2HD ARG 68 8.184 1.073 -9.477 552 2HD ARG 68 1HD ARG 68 9.806 1.687 -9.163 553 HE ARG 68 HE ARG 68 9.177 -0.966 -8.142 554 1HH1 ARG 68 1HH1 ARG 68 10.690 0.976 -10.610 555 2HH1 ARG 68 2HH1 ARG 68 11.714 -0.304 -11.169 556 1HH2 ARG 68 1HH2 ARG 68 10.524 -2.655 -8.872 557 2HH2 ARG 68 2HH2 ARG 68 11.620 -2.366 -10.183 558 H PHE 69 H PHE 69 4.540 3.333 -5.639 559 HA PHE 69 HA PHE 69 2.954 3.941 -8.021 560 1HB PHE 69 2HB PHE 69 0.985 3.914 -6.181 561 2HB PHE 69 1HB PHE 69 1.365 2.546 -7.218 562 HD1 PHE 69 1HD PHE 69 1.215 3.781 -3.847 563 HD2 PHE 69 2HD PHE 69 2.804 0.703 -6.318 564 HE1 PHE 69 1HE PHE 69 1.589 2.384 -1.858 565 HE2 PHE 69 2HE PHE 69 3.186 -0.696 -4.335 566 HZ PHE 69 HZ PHE 69 2.576 0.142 -2.100 567 H ASP 70 H ASP 70 1.578 5.820 -7.810 568 HA ASP 70 HA ASP 70 2.934 7.885 -6.255 569 1HB ASP 70 2HB ASP 70 0.692 8.580 -8.083 570 2HB ASP 70 1HB ASP 70 2.232 9.397 -7.831 571 H PHE 71 H PHE 71 1.805 9.311 -4.920 572 HA PHE 71 HA PHE 71 -0.689 8.230 -3.819 573 1HB PHE 71 2HB PHE 71 1.828 8.669 -2.768 574 2HB PHE 71 1HB PHE 71 0.857 10.001 -2.144 575 HD1 PHE 71 1HD PHE 71 1.551 6.521 -2.093 576 HD2 PHE 71 2HD PHE 71 -1.099 9.543 -0.759 577 HE1 PHE 71 1HE PHE 71 0.726 4.993 -0.318 578 HE2 PHE 71 2HE PHE 71 -1.944 8.048 1.016 579 HZ PHE 71 HZ PHE 71 -1.019 5.781 1.234 580 H THR 72 H THR 72 -2.358 9.551 -3.384 581 HA THR 72 HA THR 72 -2.072 12.396 -3.292 582 HB THR 72 HB THR 72 -4.153 12.528 -4.944 583 HG1 THR 72 1HG THR 72 -4.035 11.024 -6.566 584 1HG2 THR 72 1HG2 THR 72 -1.758 12.368 -6.567 585 2HG2 THR 72 2HG2 THR 72 -1.454 13.200 -5.040 586 3HG2 THR 72 3HG2 THR 72 -2.724 13.775 -6.123 587 H THR 73 H THR 73 -4.284 13.421 -2.801 588 HA THR 73 HA THR 73 -5.738 11.546 -1.061 589 HB THR 73 HB THR 73 -5.941 14.470 -0.591 590 HG1 THR 73 1HG THR 73 -3.950 14.423 0.534 591 1HG2 THR 73 1HG2 THR 73 -6.971 13.624 1.200 592 2HG2 THR 73 2HG2 THR 73 -5.399 13.042 1.750 593 3HG2 THR 73 3HG2 THR 73 -6.444 11.989 0.796 594 H THR 74 H THR 74 -7.159 14.609 -1.268 595 HA THR 74 HA THR 74 -9.433 13.490 -2.665 596 HB THR 74 HB THR 74 -10.706 15.127 -1.731 597 HG1 THR 74 1HG THR 74 -9.532 17.266 -1.204 598 1HG2 THR 74 1HG2 THR 74 -10.089 15.503 0.487 599 2HG2 THR 74 2HG2 THR 74 -8.377 15.660 0.092 600 3HG2 THR 74 3HG2 THR 74 -9.151 14.075 0.050 601 H SER 75 H SER 75 -6.727 14.412 -3.884 602 HA SER 75 HA SER 75 -7.813 16.197 -5.950 603 1HB SER 75 2HB SER 75 -5.647 16.978 -6.347 604 2HB SER 75 1HB SER 75 -5.638 16.711 -4.603 605 HG SER 75 HG SER 75 -4.628 14.954 -6.594 606 H THR 76 H THR 76 -7.546 15.706 -8.151 607 HA THR 76 HA THR 76 -7.351 12.840 -8.695 608 HB THR 76 HB THR 76 -7.959 14.371 -11.046 609 HG1 THR 76 1HG THR 76 -9.505 14.971 -8.726 610 1HG2 THR 76 1HG2 THR 76 -10.196 12.986 -9.824 611 2HG2 THR 76 2HG2 THR 76 -8.734 11.999 -9.821 612 3HG2 THR 76 3HG2 THR 76 -9.356 12.650 -11.338 613 H SER 77 H SER 77 -5.276 12.239 -8.958 614 HA SER 77 HA SER 77 -3.822 13.375 -11.202 615 1HB SER 77 2HB SER 77 -2.196 13.023 -8.728 616 2HB SER 77 1HB SER 77 -1.984 14.152 -10.066 617 HG SER 77 HG SER 77 -3.636 15.411 -9.232 618 H THR 78 H THR 78 -2.015 11.601 -8.864 619 HA THR 78 HA THR 78 -0.925 9.600 -9.046 620 HB THR 78 HB THR 78 -2.870 7.776 -9.775 621 HG1 THR 78 1HG THR 78 -4.684 8.655 -8.437 622 1HG2 THR 78 1HG2 THR 78 -3.227 8.154 -7.045 623 2HG2 THR 78 2HG2 THR 78 -1.586 8.722 -7.353 624 3HG2 THR 78 3HG2 THR 78 -2.054 7.085 -7.814 625 HA PRO 79 HA PRO 79 -0.866 9.576 -13.723 626 1HB PRO 79 2HB PRO 79 1.562 10.654 -14.114 627 2HB PRO 79 1HB PRO 79 0.132 11.659 -13.846 628 1HG PRO 79 2HG PRO 79 2.278 10.865 -11.914 629 2HG PRO 79 1HG PRO 79 1.508 12.446 -12.143 630 1HD PRO 79 2HD PRO 79 0.814 10.691 -10.161 631 2HD PRO 79 1HD PRO 79 -0.301 11.886 -10.852 632 H GLY 80 H GLY 80 -0.524 7.516 -14.294 633 1HA GLY 80 2HA GLY 80 2.061 6.409 -14.465 634 2HA GLY 80 1HA GLY 80 1.252 5.737 -13.056 635 H SER 81 H SER 81 -0.428 6.672 -15.982 636 HA SER 81 HA SER 81 -1.752 5.491 -17.406 637 1HB SER 81 2HB SER 81 0.419 3.395 -17.155 638 2HB SER 81 1HB SER 81 -0.733 3.559 -18.480 639 HG SER 81 HG SER 81 1.626 4.694 -18.266 640 H ARG 82 H ARG 82 -3.142 5.368 -15.383 641 HA ARG 82 HA ARG 82 -3.582 2.551 -14.639 642 1HB ARG 82 2HB ARG 82 -2.971 4.408 -12.875 643 2HB ARG 82 1HB ARG 82 -4.674 4.818 -13.022 644 1HG ARG 82 2HG ARG 82 -5.138 3.235 -11.551 645 2HG ARG 82 1HG ARG 82 -4.565 2.031 -12.707 646 1HD ARG 82 2HD ARG 82 -2.512 1.849 -11.710 647 2HD ARG 82 1HD ARG 82 -2.553 3.493 -11.076 648 HE ARG 82 HE ARG 82 -4.515 1.812 -9.861 649 1HH1 ARG 82 1HH1 ARG 82 -1.141 2.689 -9.807 650 2HH1 ARG 82 2HH1 ARG 82 -0.923 2.250 -8.146 651 1HH2 ARG 82 1HH2 ARG 82 -4.235 1.234 -7.675 652 2HH2 ARG 82 2HH2 ARG 82 -2.681 1.422 -6.934 653 H SER 83 H SER 83 -4.600 3.835 -17.019 654 HA SER 83 HA SER 83 -7.336 3.061 -16.793 655 1HB SER 83 2HB SER 83 -6.656 5.882 -16.480 656 2HB SER 83 1HB SER 83 -7.776 5.604 -17.812 657 HG SER 83 HG SER 83 -8.392 4.189 -15.549 658 H HIS 84 H HIS 84 -6.633 1.676 -18.466 659 HA HIS 84 HA HIS 84 -7.042 2.719 -21.088 660 1HB HIS 84 2HB HIS 84 -4.832 2.070 -22.016 661 2HB HIS 84 1HB HIS 84 -4.728 3.411 -20.881 662 HD2 HIS 84 2HD HIS 84 -3.507 2.803 -18.414 663 HE1 HIS 84 1HE HIS 84 -1.941 -0.883 -19.781 664 HE2 HIS 84 2HE HIS 84 -1.735 0.946 -18.037 665 H HIS 85 H HIS 85 -7.987 0.615 -19.242 666 HA HIS 85 HA HIS 85 -7.563 -1.710 -21.003 667 1HB HIS 85 2HB HIS 85 -8.324 -2.962 -18.793 668 2HB HIS 85 1HB HIS 85 -6.641 -2.522 -19.064 669 HD2 HIS 85 2HD HIS 85 -5.719 -0.324 -17.545 670 HE1 HIS 85 1HE HIS 85 -9.017 -0.435 -14.895 671 HE2 HIS 85 2HE HIS 85 -6.780 0.652 -15.388 672 H HIS 86 H HIS 86 -9.361 -3.059 -21.401 673 HA HIS 86 HA HIS 86 -11.877 -1.623 -21.390 674 1HB HIS 86 2HB HIS 86 -12.659 -3.293 -22.920 675 2HB HIS 86 1HB HIS 86 -11.019 -2.868 -23.398 676 HD2 HIS 86 2HD HIS 86 -13.065 -5.922 -22.901 677 HE1 HIS 86 1HE HIS 86 -9.061 -7.108 -22.221 678 HE2 HIS 86 2HE HIS 86 -11.453 -7.908 -22.469 679 H HIS 87 H HIS 87 -13.857 -2.514 -20.629 680 HA HIS 87 HA HIS 87 -15.222 -3.502 -19.109 681 1HB HIS 87 2HB HIS 87 -14.038 -5.579 -20.169 682 2HB HIS 87 1HB HIS 87 -13.212 -5.671 -18.616 683 HD2 HIS 87 2HD HIS 87 -16.823 -6.019 -20.079 684 HE1 HIS 87 1HE HIS 87 -16.707 -7.649 -16.175 685 HE2 HIS 87 2HE HIS 87 -18.048 -7.480 -18.320 686 H HIS 88 H HIS 88 -15.545 -3.774 -16.842 687 HA HIS 88 HA HIS 88 -13.278 -2.887 -15.184 688 1HB HIS 88 2HB HIS 88 -16.109 -1.881 -15.246 689 2HB HIS 88 1HB HIS 88 -15.140 -1.744 -13.782 690 HD2 HIS 88 2HD HIS 88 -15.694 0.036 -17.102 691 HE1 HIS 88 1HE HIS 88 -12.261 1.734 -15.301 692 HE2 HIS 88 2HE HIS 88 -13.860 1.862 -17.263 693 H HIS 89 H HIS 89 -13.484 -3.438 -12.889 694 HA HIS 89 HA HIS 89 -13.720 -4.967 -11.223 695 1HB HIS 89 2HB HIS 89 -16.433 -5.062 -12.513 696 2HB HIS 89 1HB HIS 89 -16.043 -6.117 -11.159 697 HD2 HIS 89 2HD HIS 89 -17.755 -4.816 -9.429 698 HE1 HIS 89 1HE HIS 89 -15.678 -1.129 -9.529 699 HE2 HIS 89 2HE HIS 89 -17.388 -2.520 -8.276 Start of MODEL 2 1 1H MET 1 1HT MET 1 0.469 -19.865 17.399 2 2H MET 1 2HT MET 1 1.351 -18.887 18.459 3 3H MET 1 3HT MET 1 0.898 -20.447 18.928 4 HA MET 1 HA MET 1 3.182 -19.588 17.468 5 1HB MET 1 2HB MET 1 2.818 -21.119 19.552 6 2HB MET 1 1HB MET 1 2.551 -22.384 18.361 7 1HG MET 1 2HG MET 1 4.812 -21.590 17.381 8 2HG MET 1 1HG MET 1 5.039 -20.850 18.964 9 1HE MET 1 1HE MET 1 5.739 -24.265 17.050 10 2HE MET 1 2HE MET 1 4.007 -23.932 17.084 11 3HE MET 1 3HE MET 1 4.660 -25.296 17.991 12 H ARG 2 H ARG 2 3.258 -19.553 15.311 13 HA ARG 2 HA ARG 2 1.827 -21.621 13.799 14 1HB ARG 2 2HB ARG 2 1.541 -19.095 13.351 15 2HB ARG 2 1HB ARG 2 3.130 -19.189 12.601 16 1HG ARG 2 2HG ARG 2 1.895 -19.563 10.753 17 2HG ARG 2 1HG ARG 2 1.941 -21.226 11.342 18 1HD ARG 2 2HD ARG 2 -0.270 -21.240 11.512 19 2HD ARG 2 1HD ARG 2 -0.204 -19.883 12.634 20 HE ARG 2 HE ARG 2 -0.465 -18.400 10.774 21 1HH1 ARG 2 1HH1 ARG 2 -0.888 -21.777 10.023 22 2HH1 ARG 2 2HH1 ARG 2 -1.778 -21.473 8.568 23 1HH2 ARG 2 1HH2 ARG 2 -1.634 -17.993 8.859 24 2HH2 ARG 2 2HH2 ARG 2 -2.201 -19.323 7.906 25 H GLY 3 H GLY 3 4.813 -21.119 15.049 26 1HA GLY 3 2HA GLY 3 6.567 -22.699 14.677 27 2HA GLY 3 1HA GLY 3 6.034 -22.847 13.009 28 H SER 4 H SER 4 7.764 -22.275 11.845 29 HA SER 4 HA SER 4 8.656 -19.523 11.996 30 1HB SER 4 2HB SER 4 10.115 -20.934 13.573 31 2HB SER 4 1HB SER 4 10.760 -21.681 12.112 32 HG SER 4 HG SER 4 11.999 -20.007 11.945 33 H ASN 5 H ASN 5 8.437 -22.582 10.408 34 HA ASN 5 HA ASN 5 9.104 -21.273 7.862 35 1HB ASN 5 2HB ASN 5 9.894 -23.728 7.245 36 2HB ASN 5 1HB ASN 5 10.988 -22.577 8.007 37 1HD2 ASN 5 1HD2 ASN 5 12.014 -23.232 9.749 38 2HD2 ASN 5 2HD2 ASN 5 11.562 -24.561 10.756 39 H ALA 6 H ALA 6 7.082 -21.044 7.072 40 HA ALA 6 HA ALA 6 5.398 -23.458 6.920 41 1HB ALA 6 1HB ALA 6 4.230 -20.762 6.476 42 2HB ALA 6 2HB ALA 6 4.659 -21.220 8.124 43 3HB ALA 6 3HB ALA 6 3.516 -22.199 7.205 44 HA PRO 7 HA PRO 7 6.594 -22.747 2.560 45 1HB PRO 7 2HB PRO 7 6.462 -25.330 1.805 46 2HB PRO 7 1HB PRO 7 7.857 -24.674 2.669 47 1HG PRO 7 2HG PRO 7 5.545 -26.254 3.731 48 2HG PRO 7 1HG PRO 7 7.273 -26.426 4.088 49 1HD PRO 7 2HD PRO 7 5.542 -25.121 5.732 50 2HD PRO 7 1HD PRO 7 7.260 -24.693 5.601 51 H GLN 8 H GLN 8 5.378 -22.728 0.680 52 HA GLN 8 HA GLN 8 3.480 -22.514 -0.554 53 1HB GLN 8 2HB GLN 8 3.844 -25.102 -0.217 54 2HB GLN 8 1HB GLN 8 2.365 -24.975 0.726 55 1HG GLN 8 2HG GLN 8 1.609 -25.546 -1.382 56 2HG GLN 8 1HG GLN 8 1.395 -23.797 -1.337 57 1HE2 GLN 8 1HE2 GLN 8 1.362 -24.024 -3.677 58 2HE2 GLN 8 2HE2 GLN 8 2.859 -24.052 -4.539 59 HA PRO 9 HA PRO 9 0.862 -21.156 3.073 60 1HB PRO 9 2HB PRO 9 1.553 -18.594 3.317 61 2HB PRO 9 1HB PRO 9 2.554 -19.873 4.017 62 1HG PRO 9 2HG PRO 9 2.961 -18.305 1.507 63 2HG PRO 9 1HG PRO 9 4.155 -18.833 2.705 64 1HD PRO 9 2HD PRO 9 3.625 -20.107 0.289 65 2HD PRO 9 1HD PRO 9 4.440 -20.845 1.681 66 H SER 10 H SER 10 -1.108 -20.122 2.881 67 HA SER 10 HA SER 10 -2.058 -19.578 0.267 68 1HB SER 10 2HB SER 10 -3.197 -20.018 2.816 69 2HB SER 10 1HB SER 10 -3.782 -18.445 2.274 70 HG SER 10 HG SER 10 -4.727 -20.736 1.564 71 H HIS 11 H HIS 11 -0.257 -17.723 2.382 72 HA HIS 11 HA HIS 11 -0.618 -15.358 0.759 73 1HB HIS 11 2HB HIS 11 -0.831 -14.051 3.079 74 2HB HIS 11 1HB HIS 11 -2.243 -14.595 2.180 75 HD2 HIS 11 2HD HIS 11 -3.806 -16.449 3.421 76 HE1 HIS 11 1HE HIS 11 -1.343 -16.907 6.833 77 HE2 HIS 11 2HE HIS 11 -3.639 -17.350 5.847 78 H ILE 12 H ILE 12 0.907 -13.599 1.460 79 HA ILE 12 HA ILE 12 3.513 -14.706 1.851 80 HB ILE 12 HB ILE 12 3.295 -12.807 0.398 81 1HG1 ILE 12 2HG1 ILE 12 4.590 -11.242 2.471 82 2HG1 ILE 12 1HG1 ILE 12 5.119 -12.922 2.514 83 1HG2 ILE 12 1HG2 ILE 12 2.494 -11.012 2.646 84 2HG2 ILE 12 2HG2 ILE 12 1.274 -11.939 1.773 85 3HG2 ILE 12 3HG2 ILE 12 2.295 -10.790 0.908 86 1HD1 ILE 12 1HD1 ILE 12 5.229 -12.356 -0.153 87 2HD1 ILE 12 2HD1 ILE 12 6.590 -12.296 0.967 88 3HD1 ILE 12 3HD1 ILE 12 5.699 -10.823 0.580 89 H SER 13 H SER 13 4.958 -14.317 3.577 90 HA SER 13 HA SER 13 4.085 -14.684 6.133 91 1HB SER 13 2HB SER 13 6.485 -14.744 5.255 92 2HB SER 13 1HB SER 13 6.522 -13.002 5.532 93 HG SER 13 HG SER 13 5.983 -14.995 7.484 94 H LYS 14 H LYS 14 4.899 -11.561 4.652 95 HA LYS 14 HA LYS 14 2.790 -10.187 5.930 96 1HB LYS 14 2HB LYS 14 4.268 -8.666 7.325 97 2HB LYS 14 1HB LYS 14 4.007 -10.283 7.960 98 1HG LYS 14 2HG LYS 14 6.171 -10.905 7.656 99 2HG LYS 14 1HG LYS 14 6.397 -9.847 6.263 100 1HD LYS 14 2HD LYS 14 6.594 -7.923 7.660 101 2HD LYS 14 1HD LYS 14 6.084 -8.833 9.083 102 1HE LYS 14 2HE LYS 14 8.182 -10.308 8.464 103 2HE LYS 14 1HE LYS 14 8.701 -8.824 7.664 104 1HZ LYS 14 1HZ LYS 14 8.545 -7.645 9.723 105 2HZ LYS 14 2HZ LYS 14 9.483 -9.027 9.981 106 3HZ LYS 14 3HZ LYS 14 7.878 -8.985 10.512 107 H TYR 15 H TYR 15 2.496 -8.151 5.074 108 HA TYR 15 HA TYR 15 4.348 -7.436 2.904 109 1HB TYR 15 2HB TYR 15 1.656 -7.838 2.794 110 2HB TYR 15 1HB TYR 15 1.721 -6.097 3.042 111 HD1 TYR 15 1HD TYR 15 3.681 -4.974 1.476 112 HD2 TYR 15 2HD TYR 15 1.466 -8.503 0.612 113 HE1 TYR 15 1HE TYR 15 4.113 -4.649 -0.925 114 HE2 TYR 15 2HE TYR 15 1.892 -8.190 -1.789 115 HH TYR 15 HH TYR 15 4.049 -5.681 -2.962 116 H ILE 16 H ILE 16 5.327 -5.463 2.853 117 HA ILE 16 HA ILE 16 4.736 -3.650 5.101 118 HB ILE 16 HB ILE 16 7.348 -4.231 3.713 119 1HG1 ILE 16 2HG1 ILE 16 8.031 -4.366 6.205 120 2HG1 ILE 16 1HG1 ILE 16 6.302 -4.430 6.530 121 1HG2 ILE 16 1HG2 ILE 16 6.584 -1.831 5.362 122 2HG2 ILE 16 2HG2 ILE 16 7.365 -1.879 3.782 123 3HG2 ILE 16 3HG2 ILE 16 8.255 -2.377 5.220 124 1HD1 ILE 16 1HD1 ILE 16 8.097 -6.469 5.428 125 2HD1 ILE 16 2HD1 ILE 16 6.521 -6.346 4.647 126 3HD1 ILE 16 3HD1 ILE 16 6.625 -6.640 6.382 127 H LEU 17 H LEU 17 3.953 -1.732 4.597 128 HA LEU 17 HA LEU 17 4.184 -0.822 1.813 129 1HB LEU 17 2HB LEU 17 1.892 -1.103 2.644 130 2HB LEU 17 1HB LEU 17 2.234 -0.024 3.982 131 HG LEU 17 HG LEU 17 2.696 1.767 2.213 132 1HD1 LEU 17 1HD1 LEU 17 0.942 0.823 0.246 133 2HD1 LEU 17 2HD1 LEU 17 2.103 -0.475 0.525 134 3HD1 LEU 17 3HD1 LEU 17 2.670 1.137 0.088 135 1HD2 LEU 17 1HD2 LEU 17 0.510 1.197 3.638 136 2HD2 LEU 17 2HD2 LEU 17 -0.152 0.983 2.018 137 3HD2 LEU 17 3HD2 LEU 17 0.574 2.523 2.478 138 H ARG 18 H ARG 18 5.759 0.588 1.516 139 HA ARG 18 HA ARG 18 6.355 2.504 3.669 140 1HB ARG 18 2HB ARG 18 8.564 2.544 2.029 141 2HB ARG 18 1HB ARG 18 8.435 1.668 3.547 142 1HG ARG 18 2HG ARG 18 7.309 -0.077 1.760 143 2HG ARG 18 1HG ARG 18 8.599 0.673 0.817 144 1HD ARG 18 2HD ARG 18 9.244 -0.193 3.579 145 2HD ARG 18 1HD ARG 18 9.009 -1.452 2.367 146 HE ARG 18 HE ARG 18 10.733 0.457 1.293 147 1HH1 ARG 18 1HH1 ARG 18 10.683 -1.880 3.878 148 2HH1 ARG 18 2HH1 ARG 18 12.396 -2.131 3.857 149 1HH2 ARG 18 1HH2 ARG 18 12.989 0.131 1.258 150 2HH2 ARG 18 2HH2 ARG 18 13.707 -0.988 2.368 151 H TRP 19 H TRP 19 6.114 4.600 3.226 152 HA TRP 19 HA TRP 19 6.300 5.542 0.501 153 1HB TRP 19 2HB TRP 19 4.079 6.417 0.346 154 2HB TRP 19 1HB TRP 19 3.947 4.717 0.772 155 HD1 TRP 19 HD TRP 19 3.034 8.144 1.931 156 HE1 TRP 19 1HE TRP 19 1.685 8.003 4.123 157 HE3 TRP 19 3HE TRP 19 3.773 3.211 3.007 158 HZ2 TRP 19 2HZ TRP 19 1.022 6.047 6.050 159 HZ3 TRP 19 3HZ TRP 19 2.747 2.279 5.041 160 HH2 TRP 19 HH TRP 19 1.400 3.668 6.529 161 H ARG 20 H ARG 20 6.257 7.842 0.312 162 HA ARG 20 HA ARG 20 6.301 9.512 2.650 163 1HB ARG 20 2HB ARG 20 8.598 10.210 2.519 164 2HB ARG 20 1HB ARG 20 8.572 8.458 2.659 165 1HG ARG 20 2HG ARG 20 9.355 8.135 0.541 166 2HG ARG 20 1HG ARG 20 8.671 9.647 -0.061 167 1HD ARG 20 2HD ARG 20 10.420 10.917 0.758 168 2HD ARG 20 1HD ARG 20 10.868 9.710 1.962 169 HE ARG 20 HE ARG 20 11.252 8.691 -0.647 170 1HH1 ARG 20 1HH1 ARG 20 12.625 10.925 1.648 171 2HH1 ARG 20 2HH1 ARG 20 14.233 10.777 1.023 172 1HH2 ARG 20 1HH2 ARG 20 13.364 8.489 -1.473 173 2HH2 ARG 20 2HH2 ARG 20 14.654 9.392 -0.751 174 HA PRO 21 HA PRO 21 5.026 12.561 -0.270 175 1HB PRO 21 2HB PRO 21 6.934 14.499 0.913 176 2HB PRO 21 1HB PRO 21 5.181 14.604 0.742 177 1HG PRO 21 2HG PRO 21 6.293 14.140 3.121 178 2HG PRO 21 1HG PRO 21 4.782 13.348 2.644 179 1HD PRO 21 2HD PRO 21 7.565 12.251 2.709 180 2HD PRO 21 1HD PRO 21 6.036 11.480 3.174 181 H LYS 22 H LYS 22 5.612 12.407 -2.324 182 HA LYS 22 HA LYS 22 8.334 12.199 -3.166 183 1HB LYS 22 2HB LYS 22 6.277 11.142 -4.258 184 2HB LYS 22 1HB LYS 22 5.966 12.727 -4.952 185 1HG LYS 22 2HG LYS 22 8.699 11.904 -5.394 186 2HG LYS 22 1HG LYS 22 7.550 10.719 -6.019 187 1HD LYS 22 2HD LYS 22 6.877 13.518 -6.604 188 2HD LYS 22 1HD LYS 22 8.367 12.944 -7.357 189 1HE LYS 22 2HE LYS 22 7.279 11.489 -8.714 190 2HE LYS 22 1HE LYS 22 6.031 11.140 -7.518 191 1HZ LYS 22 1HZ LYS 22 4.885 12.310 -9.114 192 2HZ LYS 22 2HZ LYS 22 6.175 13.349 -9.459 193 3HZ LYS 22 3HZ LYS 22 5.290 13.547 -8.031 194 H ASN 23 H ASN 23 5.932 14.757 -3.096 195 HA ASN 23 HA ASN 23 7.684 16.582 -4.540 196 1HB ASN 23 2HB ASN 23 4.948 16.356 -4.413 197 2HB ASN 23 1HB ASN 23 5.257 17.699 -3.317 198 1HD2 ASN 23 1HD2 ASN 23 5.920 16.511 -6.573 199 2HD2 ASN 23 2HD2 ASN 23 6.034 18.070 -7.310 200 H SER 24 H SER 24 6.483 15.979 -1.310 201 HA SER 24 HA SER 24 7.948 18.294 -0.274 202 1HB SER 24 2HB SER 24 6.671 16.938 1.845 203 2HB SER 24 1HB SER 24 6.173 18.450 1.087 204 HG SER 24 HG SER 24 4.591 16.682 1.096 205 H VAL 25 H VAL 25 8.588 17.486 2.246 206 HA VAL 25 HA VAL 25 10.414 15.211 1.821 207 HB VAL 25 HB VAL 25 12.001 16.374 3.386 208 1HG1 VAL 25 1HG1 VAL 25 11.622 16.670 0.641 209 2HG1 VAL 25 2HG1 VAL 25 13.097 16.995 1.552 210 3HG1 VAL 25 3HG1 VAL 25 11.950 18.297 1.236 211 1HG2 VAL 25 1HG2 VAL 25 10.747 18.977 2.742 212 2HG2 VAL 25 2HG2 VAL 25 11.672 18.483 4.159 213 3HG2 VAL 25 3HG2 VAL 25 9.981 18.010 4.001 214 H GLY 26 H GLY 26 11.249 14.324 3.961 215 1HA GLY 26 2HA GLY 26 10.409 14.527 6.447 216 2HA GLY 26 1HA GLY 26 8.929 13.938 5.703 217 H ARG 27 H ARG 27 9.292 12.188 7.311 218 HA ARG 27 HA ARG 27 11.352 10.265 6.526 219 1HB ARG 27 2HB ARG 27 10.061 10.964 8.997 220 2HB ARG 27 1HB ARG 27 9.831 9.250 8.676 221 1HG ARG 27 2HG ARG 27 12.505 10.631 8.636 222 2HG ARG 27 1HG ARG 27 11.841 9.785 10.035 223 1HD ARG 27 2HD ARG 27 12.464 8.588 7.337 224 2HD ARG 27 1HD ARG 27 13.367 8.338 8.830 225 HE ARG 27 HE ARG 27 10.629 7.597 9.106 226 1HH1 ARG 27 1HH1 ARG 27 13.704 6.532 7.861 227 2HH1 ARG 27 2HH1 ARG 27 13.322 4.849 8.001 228 1HH2 ARG 27 1HH2 ARG 27 10.116 5.382 9.290 229 2HH2 ARG 27 2HH2 ARG 27 11.283 4.195 8.812 230 H TRP 28 H TRP 28 10.768 7.980 6.343 231 HA TRP 28 HA TRP 28 8.530 7.633 4.593 232 1HB TRP 28 2HB TRP 28 10.633 5.793 5.709 233 2HB TRP 28 1HB TRP 28 9.275 5.159 4.785 234 HD1 TRP 28 HD TRP 28 12.280 7.551 4.355 235 HE1 TRP 28 1HE TRP 28 12.915 7.594 1.861 236 HE3 TRP 28 3HE TRP 28 8.482 4.675 2.498 237 HZ2 TRP 28 2HZ TRP 28 11.935 6.549 -0.571 238 HZ3 TRP 28 3HZ TRP 28 8.404 4.244 0.078 239 HH2 TRP 28 HH TRP 28 10.096 5.162 -1.425 240 H LYS 29 H LYS 29 7.263 5.405 5.022 241 HA LYS 29 HA LYS 29 6.444 5.195 7.813 242 1HB LYS 29 2HB LYS 29 4.722 6.234 5.601 243 2HB LYS 29 1HB LYS 29 3.985 5.234 6.844 244 1HG LYS 29 2HG LYS 29 5.600 7.194 8.118 245 2HG LYS 29 1HG LYS 29 4.575 7.996 6.925 246 1HD LYS 29 2HD LYS 29 3.142 7.983 8.703 247 2HD LYS 29 1HD LYS 29 2.730 6.424 7.990 248 1HE LYS 29 2HE LYS 29 3.057 6.358 10.458 249 2HE LYS 29 1HE LYS 29 4.110 5.263 9.562 250 1HZ LYS 29 1HZ LYS 29 4.848 7.884 10.743 251 2HZ LYS 29 2HZ LYS 29 5.863 6.990 9.729 252 3HZ LYS 29 3HZ LYS 29 5.394 6.356 11.224 253 H GLU 30 H GLU 30 6.138 3.111 8.328 254 HA GLU 30 HA GLU 30 5.644 1.226 6.119 255 1HB GLU 30 2HB GLU 30 6.836 -0.165 8.272 256 2HB GLU 30 1HB GLU 30 7.507 0.148 6.678 257 1HG GLU 30 2HG GLU 30 8.580 2.125 7.422 258 2HG GLU 30 1HG GLU 30 7.708 2.098 8.954 259 H ALA 31 H ALA 31 4.049 -0.199 6.302 260 HA ALA 31 HA ALA 31 2.807 -0.693 8.906 261 1HB ALA 31 1HB ALA 31 0.540 -0.468 7.751 262 2HB ALA 31 2HB ALA 31 1.403 0.413 6.490 263 3HB ALA 31 3HB ALA 31 1.395 1.024 8.143 264 H THR 32 H THR 32 2.231 -2.796 9.166 265 HA THR 32 HA THR 32 2.823 -4.607 6.984 266 HB THR 32 HB THR 32 1.883 -5.315 9.766 267 HG1 THR 32 1HG THR 32 4.522 -5.734 9.192 268 1HG2 THR 32 1HG2 THR 32 1.590 -7.147 8.226 269 2HG2 THR 32 2HG2 THR 32 2.999 -7.484 9.232 270 3HG2 THR 32 3HG2 THR 32 3.214 -6.916 7.575 271 H ILE 33 H ILE 33 1.433 -5.673 5.769 272 HA ILE 33 HA ILE 33 -1.417 -5.648 6.494 273 HB ILE 33 HB ILE 33 -0.384 -5.366 3.671 274 1HG1 ILE 33 2HG1 ILE 33 -1.783 -3.042 4.534 275 2HG1 ILE 33 1HG1 ILE 33 -0.538 -3.389 5.729 276 1HG2 ILE 33 1HG2 ILE 33 -2.638 -6.412 4.073 277 2HG2 ILE 33 2HG2 ILE 33 -2.639 -4.972 3.054 278 3HG2 ILE 33 3HG2 ILE 33 -3.151 -4.860 4.738 279 1HD1 ILE 33 1HD1 ILE 33 0.508 -3.642 3.062 280 2HD1 ILE 33 2HD1 ILE 33 1.044 -2.613 4.391 281 3HD1 ILE 33 3HD1 ILE 33 -0.234 -2.061 3.307 282 HA PRO 34 HA PRO 34 -0.710 -10.073 6.240 283 1HB PRO 34 2HB PRO 34 -3.682 -10.018 6.138 284 2HB PRO 34 1HB PRO 34 -2.604 -10.955 7.167 285 1HG PRO 34 2HG PRO 34 -3.891 -8.869 8.163 286 2HG PRO 34 1HG PRO 34 -2.194 -9.159 8.598 287 1HD PRO 34 2HD PRO 34 -3.343 -7.195 6.652 288 2HD PRO 34 1HD PRO 34 -2.008 -6.987 7.805 289 H GLY 35 H GLY 35 0.059 -9.659 3.956 290 1HA GLY 35 2HA GLY 35 -0.035 -10.091 1.701 291 2HA GLY 35 1HA GLY 35 -1.163 -11.361 2.151 292 H HIS 36 H HIS 36 -2.256 -8.341 3.131 293 HA HIS 36 HA HIS 36 -3.794 -6.847 2.346 294 1HB HIS 36 2HB HIS 36 -2.369 -7.269 0.107 295 2HB HIS 36 1HB HIS 36 -3.899 -7.974 -0.403 296 HD2 HIS 36 2HD HIS 36 -5.614 -5.547 1.329 297 HE1 HIS 36 1HE HIS 36 -3.890 -3.201 -1.743 298 HE2 HIS 36 2HE HIS 36 -5.578 -3.237 0.149 299 H LEU 37 H LEU 37 -5.594 -7.428 3.374 300 HA LEU 37 HA LEU 37 -6.950 -9.879 3.038 301 1HB LEU 37 2HB LEU 37 -7.785 -7.239 4.223 302 2HB LEU 37 1HB LEU 37 -8.827 -8.648 4.233 303 HG LEU 37 HG LEU 37 -7.040 -9.856 5.526 304 1HD1 LEU 37 1HD1 LEU 37 -5.183 -8.785 6.376 305 2HD1 LEU 37 2HD1 LEU 37 -5.886 -7.179 6.173 306 3HD1 LEU 37 3HD1 LEU 37 -5.297 -8.067 4.768 307 1HD2 LEU 37 1HD2 LEU 37 -9.046 -8.845 6.547 308 2HD2 LEU 37 2HD2 LEU 37 -8.139 -7.355 6.800 309 3HD2 LEU 37 3HD2 LEU 37 -7.652 -8.834 7.628 310 H ASN 38 H ASN 38 -7.331 -6.711 1.592 311 HA ASN 38 HA ASN 38 -8.436 -7.444 -0.787 312 1HB ASN 38 2HB ASN 38 -10.460 -8.284 -0.174 313 2HB ASN 38 1HB ASN 38 -10.443 -7.465 1.384 314 1HD2 ASN 38 1HD2 ASN 38 -11.948 -6.005 1.631 315 2HD2 ASN 38 2HD2 ASN 38 -12.694 -5.078 0.378 316 H SER 39 H SER 39 -9.533 -5.101 1.679 317 HA SER 39 HA SER 39 -8.572 -2.947 -0.085 318 1HB SER 39 2HB SER 39 -11.235 -3.481 0.430 319 2HB SER 39 1HB SER 39 -10.855 -2.197 1.577 320 HG SER 39 HG SER 39 -10.401 -0.847 -0.052 321 H TYR 40 H TYR 40 -7.002 -1.852 0.875 322 HA TYR 40 HA TYR 40 -7.220 -1.313 3.761 323 1HB TYR 40 2HB TYR 40 -5.486 -3.063 3.246 324 2HB TYR 40 1HB TYR 40 -4.616 -1.847 2.318 325 HD1 TYR 40 1HD TYR 40 -5.447 -3.061 5.646 326 HD2 TYR 40 2HD TYR 40 -3.569 0.072 3.463 327 HE1 TYR 40 1HE TYR 40 -4.315 -2.318 7.698 328 HE2 TYR 40 2HE TYR 40 -2.431 0.822 5.509 329 HH TYR 40 HH TYR 40 -2.686 -0.992 8.526 330 H THR 41 H THR 41 -7.643 0.792 3.920 331 HA THR 41 HA THR 41 -6.172 2.648 2.162 332 HB THR 41 HB THR 41 -8.774 3.322 3.515 333 HG1 THR 41 1HG THR 41 -8.520 1.464 1.699 334 1HG2 THR 41 1HG2 THR 41 -7.082 4.502 1.352 335 2HG2 THR 41 2HG2 THR 41 -7.845 5.289 2.734 336 3HG2 THR 41 3HG2 THR 41 -8.821 4.791 1.352 337 H ILE 42 H ILE 42 -5.292 4.514 3.033 338 HA ILE 42 HA ILE 42 -4.838 4.424 5.923 339 HB ILE 42 HB ILE 42 -3.476 6.214 3.912 340 1HG1 ILE 42 2HG1 ILE 42 -1.829 4.055 4.871 341 2HG1 ILE 42 1HG1 ILE 42 -3.285 3.404 4.125 342 1HG2 ILE 42 1HG2 ILE 42 -3.451 6.712 6.428 343 2HG2 ILE 42 2HG2 ILE 42 -1.907 6.679 5.576 344 3HG2 ILE 42 3HG2 ILE 42 -2.403 5.300 6.558 345 1HD1 ILE 42 1HD1 ILE 42 -1.431 5.376 2.817 346 2HD1 ILE 42 2HD1 ILE 42 -2.812 4.567 2.079 347 3HD1 ILE 42 3HD1 ILE 42 -1.396 3.633 2.562 348 H LYS 43 H LYS 43 -5.571 5.968 7.303 349 HA LYS 43 HA LYS 43 -7.170 8.143 6.127 350 1HB LYS 43 2HB LYS 43 -7.411 6.618 8.704 351 2HB LYS 43 1HB LYS 43 -8.164 8.195 8.516 352 1HG LYS 43 2HG LYS 43 -8.784 6.516 6.268 353 2HG LYS 43 1HG LYS 43 -9.208 5.715 7.782 354 1HD LYS 43 2HD LYS 43 -11.122 6.945 7.155 355 2HD LYS 43 1HD LYS 43 -10.354 7.884 8.436 356 1HE LYS 43 2HE LYS 43 -9.194 9.169 6.559 357 2HE LYS 43 1HE LYS 43 -10.360 8.406 5.478 358 1HZ LYS 43 1HZ LYS 43 -11.871 9.393 7.529 359 2HZ LYS 43 2HZ LYS 43 -11.704 10.079 5.992 360 3HZ LYS 43 3HZ LYS 43 -10.718 10.602 7.263 361 H GLY 44 H GLY 44 -7.352 10.099 7.649 362 1HA GLY 44 2HA GLY 44 -6.356 11.726 8.989 363 2HA GLY 44 1HA GLY 44 -4.973 10.664 9.211 364 H LEU 45 H LEU 45 -6.494 11.970 6.272 365 HA LEU 45 HA LEU 45 -4.067 13.507 5.720 366 1HB LEU 45 2HB LEU 45 -5.056 12.193 3.319 367 2HB LEU 45 1HB LEU 45 -3.409 12.334 3.926 368 HG LEU 45 HG LEU 45 -5.138 10.398 5.350 369 1HD1 LEU 45 1HD1 LEU 45 -5.677 10.216 2.851 370 2HD1 LEU 45 2HD1 LEU 45 -5.181 8.754 3.703 371 3HD1 LEU 45 3HD1 LEU 45 -4.028 9.613 2.681 372 1HD2 LEU 45 1HD2 LEU 45 -3.129 9.163 5.508 373 2HD2 LEU 45 2HD2 LEU 45 -2.684 10.851 5.753 374 3HD2 LEU 45 3HD2 LEU 45 -2.378 10.076 4.199 375 H LYS 46 H LYS 46 -4.641 14.409 3.198 376 HA LYS 46 HA LYS 46 -7.359 15.333 3.022 377 1HB LYS 46 2HB LYS 46 -6.355 17.800 2.995 378 2HB LYS 46 1HB LYS 46 -6.958 17.051 4.466 379 1HG LYS 46 2HG LYS 46 -4.976 17.747 5.276 380 2HG LYS 46 1HG LYS 46 -4.411 16.231 4.572 381 1HD LYS 46 2HD LYS 46 -2.902 17.552 3.546 382 2HD LYS 46 1HD LYS 46 -4.232 17.880 2.432 383 1HE LYS 46 2HE LYS 46 -4.674 19.661 4.485 384 2HE LYS 46 1HE LYS 46 -2.917 19.638 4.345 385 1HZ LYS 46 1HZ LYS 46 -3.625 19.805 1.783 386 2HZ LYS 46 2HZ LYS 46 -3.316 21.155 2.755 387 3HZ LYS 46 3HZ LYS 46 -4.908 20.647 2.495 388 HA PRO 47 HA PRO 47 -6.241 15.471 -1.252 389 1HB PRO 47 2HB PRO 47 -8.058 17.291 -2.179 390 2HB PRO 47 1HB PRO 47 -8.456 15.611 -1.801 391 1HG PRO 47 2HG PRO 47 -8.871 18.075 -0.155 392 2HG PRO 47 1HG PRO 47 -9.959 16.696 -0.403 393 1HD PRO 47 2HD PRO 47 -8.476 16.969 1.833 394 2HD PRO 47 1HD PRO 47 -8.848 15.379 1.135 395 H GLY 48 H GLY 48 -4.487 16.422 -2.062 396 1HA GLY 48 2HA GLY 48 -3.853 18.611 -3.170 397 2HA GLY 48 1HA GLY 48 -4.113 19.311 -1.581 398 H VAL 49 H VAL 49 -2.768 16.221 -1.341 399 HA VAL 49 HA VAL 49 -0.068 17.380 -1.073 400 HB VAL 49 HB VAL 49 -1.291 15.129 0.527 401 1HG1 VAL 49 1HG1 VAL 49 1.498 16.255 0.473 402 2HG1 VAL 49 2HG1 VAL 49 0.988 14.579 0.265 403 3HG1 VAL 49 3HG1 VAL 49 0.866 15.349 1.847 404 1HG2 VAL 49 1HG2 VAL 49 -1.712 17.759 0.918 405 2HG2 VAL 49 2HG2 VAL 49 -0.235 17.537 1.857 406 3HG2 VAL 49 3HG2 VAL 49 -1.666 16.569 2.220 407 H VAL 50 H VAL 50 1.532 16.469 -2.219 408 HA VAL 50 HA VAL 50 0.914 14.202 -3.920 409 HB VAL 50 HB VAL 50 3.596 15.558 -3.675 410 1HG1 VAL 50 1HG1 VAL 50 3.263 13.339 -4.913 411 2HG1 VAL 50 2HG1 VAL 50 4.074 14.644 -5.780 412 3HG1 VAL 50 3HG1 VAL 50 2.379 14.287 -6.109 413 1HG2 VAL 50 1HG2 VAL 50 1.170 16.409 -5.234 414 2HG2 VAL 50 2HG2 VAL 50 2.803 16.903 -5.680 415 3HG2 VAL 50 3HG2 VAL 50 2.141 17.361 -4.110 416 H TYR 51 H TYR 51 1.927 12.184 -3.815 417 HA TYR 51 HA TYR 51 3.706 11.693 -1.547 418 1HB TYR 51 2HB TYR 51 0.928 10.986 -1.612 419 2HB TYR 51 1HB TYR 51 1.899 9.520 -1.605 420 HD1 TYR 51 1HD TYR 51 4.172 10.303 0.125 421 HD2 TYR 51 2HD TYR 51 0.030 11.137 0.471 422 HE1 TYR 51 1HE TYR 51 4.425 10.505 2.565 423 HE2 TYR 51 2HE TYR 51 0.250 11.351 2.912 424 HH TYR 51 HH TYR 51 2.722 10.203 4.626 425 H GLU 52 H GLU 52 4.529 9.481 -1.530 426 HA GLU 52 HA GLU 52 4.611 8.175 -4.154 427 1HB GLU 52 2HB GLU 52 6.699 9.166 -4.304 428 2HB GLU 52 1HB GLU 52 6.910 9.230 -2.560 429 1HG GLU 52 2HG GLU 52 8.487 7.680 -3.314 430 2HG GLU 52 1HG GLU 52 7.175 6.709 -2.648 431 H GLY 53 H GLY 53 4.222 6.011 -3.931 432 1HA GLY 53 2HA GLY 53 4.712 4.832 -1.274 433 2HA GLY 53 1HA GLY 53 3.149 4.645 -2.048 434 H GLN 54 H GLN 54 5.376 2.784 -1.195 435 HA GLN 54 HA GLN 54 5.396 1.229 -3.686 436 1HB GLN 54 2HB GLN 54 7.744 0.446 -2.522 437 2HB GLN 54 1HB GLN 54 7.607 1.595 -3.845 438 1HG GLN 54 2HG GLN 54 7.538 3.426 -2.174 439 2HG GLN 54 1HG GLN 54 7.838 2.228 -0.915 440 1HE2 GLN 54 1HE2 GLN 54 9.205 4.195 -3.333 441 2HE2 GLN 54 2HE2 GLN 54 10.845 3.685 -3.152 442 H LEU 55 H LEU 55 4.794 -0.830 -3.450 443 HA LEU 55 HA LEU 55 4.294 -1.795 -0.727 444 1HB LEU 55 2HB LEU 55 3.090 -2.316 -3.394 445 2HB LEU 55 1HB LEU 55 3.094 -3.640 -2.245 446 HG LEU 55 HG LEU 55 2.022 -0.960 -1.439 447 1HD1 LEU 55 1HD1 LEU 55 -0.118 -2.647 -2.184 448 2HD1 LEU 55 2HD1 LEU 55 0.986 -2.554 -3.556 449 3HD1 LEU 55 3HD1 LEU 55 0.324 -1.078 -2.854 450 1HD2 LEU 55 1HD2 LEU 55 1.063 -2.077 0.301 451 2HD2 LEU 55 2HD2 LEU 55 2.469 -3.110 0.041 452 3HD2 LEU 55 3HD2 LEU 55 0.896 -3.580 -0.607 453 H ILE 56 H ILE 56 5.926 -2.945 0.090 454 HA ILE 56 HA ILE 56 7.416 -4.727 -1.709 455 HB ILE 56 HB ILE 56 8.211 -3.463 0.909 456 1HG1 ILE 56 2HG1 ILE 56 10.178 -2.767 -0.621 457 2HG1 ILE 56 1HG1 ILE 56 9.133 -3.249 -1.954 458 1HG2 ILE 56 1HG2 ILE 56 9.577 -5.660 -0.637 459 2HG2 ILE 56 2HG2 ILE 56 9.021 -5.701 1.037 460 3HG2 ILE 56 3HG2 ILE 56 10.385 -4.678 0.586 461 1HD1 ILE 56 1HD1 ILE 56 8.561 -1.077 -1.884 462 2HD1 ILE 56 2HD1 ILE 56 8.988 -0.905 -0.181 463 3HD1 ILE 56 3HD1 ILE 56 7.451 -1.642 -0.635 464 H SER 57 H SER 57 6.847 -6.784 -1.621 465 HA SER 57 HA SER 57 5.527 -7.836 0.746 466 1HB SER 57 2HB SER 57 4.587 -9.375 -0.619 467 2HB SER 57 1HB SER 57 5.104 -8.287 -1.906 468 HG SER 57 HG SER 57 5.747 -10.503 -2.206 469 H ILE 58 H ILE 58 6.580 -8.837 2.286 470 HA ILE 58 HA ILE 58 9.229 -9.966 1.683 471 HB ILE 58 HB ILE 58 8.295 -9.140 4.420 472 1HG1 ILE 58 2HG1 ILE 58 9.354 -7.505 2.161 473 2HG1 ILE 58 1HG1 ILE 58 8.208 -7.071 3.420 474 1HG2 ILE 58 1HG2 ILE 58 11.036 -8.877 4.234 475 2HG2 ILE 58 2HG2 ILE 58 10.692 -10.319 3.281 476 3HG2 ILE 58 3HG2 ILE 58 10.164 -10.226 4.960 477 1HD1 ILE 58 1HD1 ILE 58 10.405 -7.295 4.918 478 2HD1 ILE 58 2HD1 ILE 58 9.933 -5.800 4.109 479 3HD1 ILE 58 3HD1 ILE 58 11.146 -6.853 3.380 480 H GLN 59 H GLN 59 9.205 -12.083 1.548 481 HA GLN 59 HA GLN 59 7.205 -13.644 2.963 482 1HB GLN 59 2HB GLN 59 8.558 -13.918 0.513 483 2HB GLN 59 1HB GLN 59 9.139 -15.231 1.527 484 1HG GLN 59 2HG GLN 59 6.724 -15.772 2.001 485 2HG GLN 59 1HG GLN 59 6.310 -14.631 0.723 486 1HE2 GLN 59 1HE2 GLN 59 5.770 -17.452 0.816 487 2HE2 GLN 59 2HE2 GLN 59 6.563 -18.161 -0.544 488 H GLN 60 H GLN 60 8.313 -15.948 3.615 489 HA GLN 60 HA GLN 60 9.663 -15.430 6.015 490 1HB GLN 60 2HB GLN 60 9.786 -17.783 6.304 491 2HB GLN 60 1HB GLN 60 8.284 -17.470 5.447 492 1HG GLN 60 2HG GLN 60 10.034 -17.862 3.392 493 2HG GLN 60 1HG GLN 60 10.647 -18.971 4.619 494 1HE2 GLN 60 1HE2 GLN 60 9.205 -19.338 2.010 495 2HE2 GLN 60 2HE2 GLN 60 7.884 -20.384 2.391 496 H TYR 61 H TYR 61 10.852 -15.679 2.813 497 HA TYR 61 HA TYR 61 13.585 -16.149 3.776 498 1HB TYR 61 2HB TYR 61 14.132 -17.014 1.720 499 2HB TYR 61 1HB TYR 61 12.423 -17.429 1.781 500 HD1 TYR 61 1HD TYR 61 14.982 -15.776 -0.060 501 HD2 TYR 61 2HD TYR 61 10.783 -15.812 0.629 502 HE1 TYR 61 1HE TYR 61 14.630 -14.590 -2.183 503 HE2 TYR 61 2HE TYR 61 10.419 -14.625 -1.495 504 HH TYR 61 HH TYR 61 12.982 -14.132 -3.784 505 H GLY 62 H GLY 62 11.575 -13.609 3.086 506 1HA GLY 62 2HA GLY 62 12.676 -11.410 3.506 507 2HA GLY 62 1HA GLY 62 13.860 -11.901 2.306 508 H HIS 63 H HIS 63 12.960 -9.608 1.684 509 HA HIS 63 HA HIS 63 10.485 -9.235 0.507 510 1HB HIS 63 2HB HIS 63 11.461 -7.378 -0.682 511 2HB HIS 63 1HB HIS 63 12.192 -7.458 0.919 512 HD2 HIS 63 2HD HIS 63 14.899 -7.873 0.983 513 HE1 HIS 63 1HE HIS 63 15.393 -8.117 -3.214 514 HE2 HIS 63 2HE HIS 63 16.579 -7.814 -0.994 515 H GLN 64 H GLN 64 9.940 -9.053 -1.811 516 HA GLN 64 HA GLN 64 11.447 -10.424 -3.786 517 1HB GLN 64 2HB GLN 64 9.773 -12.297 -4.107 518 2HB GLN 64 1HB GLN 64 10.832 -12.444 -2.711 519 1HG GLN 64 2HG GLN 64 9.134 -12.382 -1.271 520 2HG GLN 64 1HG GLN 64 8.341 -11.056 -2.121 521 1HE2 GLN 64 1HE2 GLN 64 7.714 -13.950 -1.045 522 2HE2 GLN 64 2HE2 GLN 64 6.688 -14.576 -2.285 523 H GLU 65 H GLU 65 9.113 -8.330 -2.846 524 HA GLU 65 HA GLU 65 8.161 -8.017 -5.590 525 1HB GLU 65 2HB GLU 65 6.581 -9.298 -3.744 526 2HB GLU 65 1HB GLU 65 6.031 -7.634 -3.611 527 1HG GLU 65 2HG GLU 65 6.208 -8.121 -6.349 528 2HG GLU 65 1HG GLU 65 5.502 -9.581 -5.660 529 H VAL 66 H VAL 66 8.583 -5.971 -6.130 530 HA VAL 66 HA VAL 66 8.007 -3.865 -4.164 531 HB VAL 66 HB VAL 66 10.463 -3.875 -5.923 532 1HG1 VAL 66 1HG1 VAL 66 9.622 -1.644 -5.512 533 2HG1 VAL 66 2HG1 VAL 66 11.098 -1.905 -4.582 534 3HG1 VAL 66 3HG1 VAL 66 9.527 -1.970 -3.781 535 1HG2 VAL 66 1HG2 VAL 66 10.100 -4.492 -3.001 536 2HG2 VAL 66 2HG2 VAL 66 11.652 -4.016 -3.689 537 3HG2 VAL 66 3HG2 VAL 66 10.857 -5.489 -4.242 538 H THR 67 H THR 67 6.662 -2.396 -4.952 539 HA THR 67 HA THR 67 6.766 -1.725 -7.807 540 HB THR 67 HB THR 67 4.060 -1.826 -6.576 541 HG1 THR 67 1HG THR 67 3.953 -3.960 -6.533 542 1HG2 THR 67 1HG2 THR 67 5.293 -2.134 -9.282 543 2HG2 THR 67 2HG2 THR 67 3.983 -1.074 -8.760 544 3HG2 THR 67 3HG2 THR 67 3.690 -2.800 -8.976 545 H ARG 68 H ARG 68 6.994 0.400 -8.041 546 HA ARG 68 HA ARG 68 6.297 2.162 -5.813 547 1HB ARG 68 2HB ARG 68 7.713 3.172 -8.227 548 2HB ARG 68 1HB ARG 68 7.942 3.587 -6.533 549 1HG ARG 68 2HG ARG 68 9.757 2.318 -6.587 550 2HG ARG 68 1HG ARG 68 8.681 0.925 -6.674 551 1HD ARG 68 2HD ARG 68 8.762 0.956 -9.082 552 2HD ARG 68 1HD ARG 68 9.710 2.442 -9.067 553 HE ARG 68 HE ARG 68 11.515 1.133 -8.036 554 1HH1 ARG 68 1HH1 ARG 68 8.967 -0.569 -9.698 555 2HH1 ARG 68 2HH1 ARG 68 9.932 -1.976 -10.004 556 1HH2 ARG 68 1HH2 ARG 68 12.787 -0.716 -8.431 557 2HH2 ARG 68 2HH2 ARG 68 12.102 -2.059 -9.283 558 H PHE 69 H PHE 69 4.863 3.803 -5.942 559 HA PHE 69 HA PHE 69 3.722 4.668 -8.443 560 1HB PHE 69 2HB PHE 69 1.350 4.197 -7.450 561 2HB PHE 69 1HB PHE 69 2.209 2.921 -8.304 562 HD1 PHE 69 1HD PHE 69 1.135 4.142 -5.014 563 HD2 PHE 69 2HD PHE 69 2.998 0.975 -7.162 564 HE1 PHE 69 1HE PHE 69 0.920 2.683 -3.044 565 HE2 PHE 69 2HE PHE 69 2.786 -0.488 -5.198 566 HZ PHE 69 HZ PHE 69 1.745 0.364 -3.134 567 H ASP 70 H ASP 70 3.322 6.780 -8.312 568 HA ASP 70 HA ASP 70 3.269 8.017 -5.660 569 1HB ASP 70 2HB ASP 70 3.570 10.157 -6.912 570 2HB ASP 70 1HB ASP 70 4.860 8.993 -7.201 571 H PHE 71 H PHE 71 1.540 9.125 -4.873 572 HA PHE 71 HA PHE 71 -0.785 9.475 -6.613 573 1HB PHE 71 2HB PHE 71 -2.277 8.463 -4.979 574 2HB PHE 71 1HB PHE 71 -1.035 7.310 -5.469 575 HD1 PHE 71 1HD PHE 71 0.896 6.880 -3.933 576 HD2 PHE 71 2HD PHE 71 -2.542 9.079 -2.727 577 HE1 PHE 71 1HE PHE 71 1.485 6.497 -1.573 578 HE2 PHE 71 2HE PHE 71 -1.959 8.703 -0.367 579 HZ PHE 71 HZ PHE 71 0.057 7.410 0.213 580 H THR 72 H THR 72 -2.237 11.081 -5.986 581 HA THR 72 HA THR 72 -1.119 13.027 -4.093 582 HB THR 72 HB THR 72 -3.255 14.206 -5.515 583 HG1 THR 72 1HG THR 72 -2.339 13.849 -7.695 584 1HG2 THR 72 1HG2 THR 72 -0.259 14.435 -5.623 585 2HG2 THR 72 2HG2 THR 72 -1.418 15.519 -4.854 586 3HG2 THR 72 3HG2 THR 72 -1.308 15.450 -6.613 587 H THR 73 H THR 73 -2.801 14.454 -3.032 588 HA THR 73 HA THR 73 -4.614 14.772 -1.675 589 HB THR 73 HB THR 73 -5.634 12.249 -2.991 590 HG1 THR 73 1HG THR 73 -5.854 14.021 -4.311 591 1HG2 THR 73 1HG2 THR 73 -7.421 13.905 -1.285 592 2HG2 THR 73 2HG2 THR 73 -6.318 12.790 -0.474 593 3HG2 THR 73 3HG2 THR 73 -7.485 12.182 -1.650 594 H THR 74 H THR 74 -3.316 14.583 0.124 595 HA THR 74 HA THR 74 -3.861 12.409 1.869 596 HB THR 74 HB THR 74 -1.110 12.157 1.861 597 HG1 THR 74 1HG THR 74 -0.582 12.748 -0.113 598 1HG2 THR 74 1HG2 THR 74 -2.595 10.316 2.274 599 2HG2 THR 74 2HG2 THR 74 -1.561 9.900 0.905 600 3HG2 THR 74 3HG2 THR 74 -3.230 10.401 0.630 601 H SER 75 H SER 75 -1.340 12.600 3.321 602 HA SER 75 HA SER 75 -1.546 15.367 4.312 603 1HB SER 75 2HB SER 75 -1.012 14.465 6.565 604 2HB SER 75 1HB SER 75 -2.532 13.840 5.927 605 HG SER 75 HG SER 75 -0.743 12.371 6.888 606 H THR 76 H THR 76 0.490 15.693 5.907 607 HA THR 76 HA THR 76 2.785 15.489 4.151 608 HB THR 76 HB THR 76 3.921 16.795 6.035 609 HG1 THR 76 1HG THR 76 1.514 17.683 6.983 610 1HG2 THR 76 1HG2 THR 76 2.826 18.897 5.391 611 2HG2 THR 76 2HG2 THR 76 1.493 17.982 4.687 612 3HG2 THR 76 3HG2 THR 76 3.110 17.859 3.993 613 H SER 77 H SER 77 2.208 14.740 7.593 614 HA SER 77 HA SER 77 3.777 12.304 7.311 615 1HB SER 77 2HB SER 77 5.312 12.809 9.075 616 2HB SER 77 1HB SER 77 5.352 14.174 7.959 617 HG SER 77 HG SER 77 4.579 14.081 10.575 618 H THR 78 H THR 78 3.856 11.194 9.596 619 HA THR 78 HA THR 78 1.320 11.613 11.008 620 HB THR 78 HB THR 78 2.224 8.816 10.410 621 HG1 THR 78 1HG THR 78 0.215 9.608 8.783 622 1HG2 THR 78 1HG2 THR 78 -0.396 10.123 11.127 623 2HG2 THR 78 2HG2 THR 78 0.540 8.976 12.086 624 3HG2 THR 78 3HG2 THR 78 -0.264 8.443 10.609 625 HA PRO 79 HA PRO 79 5.069 11.312 13.835 626 1HB PRO 79 2HB PRO 79 3.191 13.070 15.340 627 2HB PRO 79 1HB PRO 79 4.940 13.212 15.127 628 1HG PRO 79 2HG PRO 79 3.281 14.796 13.782 629 2HG PRO 79 1HG PRO 79 4.739 14.143 13.010 630 1HD PRO 79 2HD PRO 79 1.888 13.318 12.686 631 2HD PRO 79 1HD PRO 79 3.192 13.376 11.482 632 H GLY 80 H GLY 80 1.588 11.085 14.402 633 1HA GLY 80 2HA GLY 80 1.896 9.599 16.853 634 2HA GLY 80 1HA GLY 80 0.389 9.916 16.006 635 H SER 81 H SER 81 2.864 7.653 16.630 636 HA SER 81 HA SER 81 1.419 5.650 15.080 637 1HB SER 81 2HB SER 81 3.475 6.688 13.807 638 2HB SER 81 1HB SER 81 4.407 5.634 14.870 639 HG SER 81 HG SER 81 3.720 3.947 13.803 640 H ARG 82 H ARG 82 1.855 3.473 15.738 641 HA ARG 82 HA ARG 82 2.083 1.857 17.317 642 1HB ARG 82 2HB ARG 82 4.595 3.418 17.457 643 2HB ARG 82 1HB ARG 82 4.273 2.351 18.816 644 1HG ARG 82 2HG ARG 82 3.746 0.700 16.736 645 2HG ARG 82 1HG ARG 82 5.017 1.718 16.052 646 1HD ARG 82 2HD ARG 82 5.750 1.025 18.711 647 2HD ARG 82 1HD ARG 82 5.266 -0.446 17.869 648 HE ARG 82 HE ARG 82 6.904 0.627 16.079 649 1HH1 ARG 82 1HH1 ARG 82 7.262 0.291 19.529 650 2HH1 ARG 82 2HH1 ARG 82 8.988 0.167 19.467 651 1HH2 ARG 82 1HH2 ARG 82 9.178 0.466 15.990 652 2HH2 ARG 82 2HH2 ARG 82 10.077 0.266 17.456 653 H SER 83 H SER 83 3.725 3.926 19.561 654 HA SER 83 HA SER 83 3.188 4.691 21.629 655 1HB SER 83 2HB SER 83 0.365 5.030 20.623 656 2HB SER 83 1HB SER 83 1.199 5.970 21.859 657 HG SER 83 HG SER 83 1.104 6.390 19.221 658 H HIS 84 H HIS 84 2.452 1.814 20.678 659 HA HIS 84 HA HIS 84 1.549 -0.084 21.553 660 1HB HIS 84 2HB HIS 84 2.393 1.524 23.924 661 2HB HIS 84 1HB HIS 84 1.477 0.045 24.197 662 HD2 HIS 84 2HD HIS 84 4.802 1.034 22.306 663 HE1 HIS 84 1HE HIS 84 5.092 -2.900 23.836 664 HE2 HIS 84 2HE HIS 84 6.362 -0.987 22.763 665 H HIS 85 H HIS 85 -0.337 1.901 20.713 666 HA HIS 85 HA HIS 85 -2.565 2.348 20.767 667 1HB HIS 85 2HB HIS 85 -2.645 -0.157 22.464 668 2HB HIS 85 1HB HIS 85 -4.042 0.612 21.720 669 HD2 HIS 85 2HD HIS 85 -0.810 -1.321 20.609 670 HE1 HIS 85 1HE HIS 85 -3.695 -1.434 17.514 671 HE2 HIS 85 2HE HIS 85 -1.360 -2.136 18.208 672 H HIS 86 H HIS 86 -2.308 4.287 21.930 673 HA HIS 86 HA HIS 86 -3.204 4.120 24.730 674 1HB HIS 86 2HB HIS 86 -0.716 4.961 23.985 675 2HB HIS 86 1HB HIS 86 -1.598 6.483 24.014 676 HD2 HIS 86 2HD HIS 86 -3.304 6.328 26.647 677 HE1 HIS 86 1HE HIS 86 0.259 5.070 28.551 678 HE2 HIS 86 2HE HIS 86 -2.004 6.162 28.885 679 H HIS 87 H HIS 87 -4.921 4.371 22.524 680 HA HIS 87 HA HIS 87 -6.176 6.908 23.175 681 1HB HIS 87 2HB HIS 87 -6.591 7.151 20.580 682 2HB HIS 87 1HB HIS 87 -5.132 7.797 21.325 683 HD2 HIS 87 2HD HIS 87 -6.169 4.559 19.324 684 HE1 HIS 87 1HE HIS 87 -2.061 5.395 18.736 685 HE2 HIS 87 2HE HIS 87 -3.949 3.780 18.229 686 H HIS 88 H HIS 88 -8.390 7.054 22.188 687 HA HIS 88 HA HIS 88 -9.609 4.379 22.166 688 1HB HIS 88 2HB HIS 88 -10.575 7.070 23.066 689 2HB HIS 88 1HB HIS 88 -11.743 5.839 22.591 690 HD2 HIS 88 2HD HIS 88 -11.883 3.595 24.268 691 HE1 HIS 88 1HE HIS 88 -9.555 5.362 27.330 692 HE2 HIS 88 2HE HIS 88 -11.207 3.521 26.773 693 H HIS 89 H HIS 89 -11.437 4.012 20.745 694 HA HIS 89 HA HIS 89 -10.912 4.773 18.083 695 1HB HIS 89 2HB HIS 89 -12.169 2.697 19.012 696 2HB HIS 89 1HB HIS 89 -13.587 3.738 18.983 697 HD2 HIS 89 2HD HIS 89 -14.588 1.979 16.988 698 HE1 HIS 89 1HE HIS 89 -11.963 3.470 14.021 699 HE2 HIS 89 2HE HIS 89 -13.921 1.925 14.482 Start of MODEL 3 1 1H MET 1 1HT MET 1 -6.209 -33.685 10.107 2 2H MET 1 2HT MET 1 -6.276 -34.168 8.487 3 3H MET 1 3HT MET 1 -5.025 -34.719 9.482 4 HA MET 1 HA MET 1 -6.565 -36.489 9.224 5 1HB MET 1 2HB MET 1 -6.591 -35.057 11.873 6 2HB MET 1 1HB MET 1 -7.375 -36.618 11.671 7 1HG MET 1 2HG MET 1 -5.203 -37.538 10.892 8 2HG MET 1 1HG MET 1 -4.459 -35.990 11.287 9 1HE MET 1 1HE MET 1 -5.945 -39.346 12.691 10 2HE MET 1 2HE MET 1 -7.213 -38.163 13.016 11 3HE MET 1 3HE MET 1 -6.320 -38.887 14.352 12 H ARG 2 H ARG 2 -8.274 -36.236 7.819 13 HA ARG 2 HA ARG 2 -10.412 -35.908 7.115 14 1HB ARG 2 2HB ARG 2 -10.552 -37.191 9.517 15 2HB ARG 2 1HB ARG 2 -11.561 -35.785 9.824 16 1HG ARG 2 2HG ARG 2 -12.803 -36.369 7.705 17 2HG ARG 2 1HG ARG 2 -11.925 -37.900 7.725 18 1HD ARG 2 2HD ARG 2 -13.321 -38.741 9.234 19 2HD ARG 2 1HD ARG 2 -13.036 -37.378 10.316 20 HE ARG 2 HE ARG 2 -14.894 -36.266 9.348 21 1HH1 ARG 2 1HH1 ARG 2 -14.443 -39.515 8.174 22 2HH1 ARG 2 2HH1 ARG 2 -16.057 -39.655 7.563 23 1HH2 ARG 2 1HH2 ARG 2 -17.022 -36.442 8.547 24 2HH2 ARG 2 2HH2 ARG 2 -17.523 -37.910 7.775 25 H GLY 3 H GLY 3 -9.367 -33.642 6.774 26 1HA GLY 3 2HA GLY 3 -11.078 -31.667 8.155 27 2HA GLY 3 1HA GLY 3 -9.413 -31.330 7.709 28 H SER 4 H SER 4 -10.145 -29.500 6.528 29 HA SER 4 HA SER 4 -11.719 -30.064 4.123 30 1HB SER 4 2HB SER 4 -10.939 -27.489 5.495 31 2HB SER 4 1HB SER 4 -11.711 -27.530 3.910 32 HG SER 4 HG SER 4 -13.149 -29.088 5.434 33 H ASN 5 H ASN 5 -10.761 -27.938 2.539 34 HA ASN 5 HA ASN 5 -8.116 -28.994 1.804 35 1HB ASN 5 2HB ASN 5 -10.340 -27.792 0.171 36 2HB ASN 5 1HB ASN 5 -8.698 -27.905 -0.457 37 1HD2 ASN 5 1HD2 ASN 5 -8.954 -29.408 -1.996 38 2HD2 ASN 5 2HD2 ASN 5 -9.494 -31.024 -1.711 39 H ALA 6 H ALA 6 -9.049 -26.665 3.649 40 HA ALA 6 HA ALA 6 -7.070 -24.758 2.608 41 1HB ALA 6 1HB ALA 6 -9.809 -24.260 2.660 42 2HB ALA 6 2HB ALA 6 -8.518 -23.079 2.443 43 3HB ALA 6 3HB ALA 6 -9.163 -23.394 4.054 44 HA PRO 7 HA PRO 7 -6.177 -25.956 7.012 45 1HB PRO 7 2HB PRO 7 -3.396 -25.869 6.073 46 2HB PRO 7 1HB PRO 7 -4.263 -27.175 6.884 47 1HG PRO 7 2HG PRO 7 -3.564 -27.321 4.288 48 2HG PRO 7 1HG PRO 7 -5.053 -28.059 4.909 49 1HD PRO 7 2HD PRO 7 -4.691 -25.487 3.415 50 2HD PRO 7 1HD PRO 7 -5.955 -26.723 3.241 51 H GLN 8 H GLN 8 -4.279 -23.772 4.932 52 HA GLN 8 HA GLN 8 -4.534 -21.682 6.955 53 1HB GLN 8 2HB GLN 8 -2.165 -21.164 6.942 54 2HB GLN 8 1HB GLN 8 -2.396 -22.838 7.427 55 1HG GLN 8 2HG GLN 8 -1.876 -22.230 4.562 56 2HG GLN 8 1HG GLN 8 -0.539 -22.170 5.711 57 1HE2 GLN 8 1HE2 GLN 8 -0.652 -24.154 7.286 58 2HE2 GLN 8 2HE2 GLN 8 -0.802 -25.681 6.493 59 HA PRO 9 HA PRO 9 -5.165 -19.078 3.448 60 1HB PRO 9 2HB PRO 9 -4.108 -16.718 4.334 61 2HB PRO 9 1HB PRO 9 -5.677 -17.343 4.854 62 1HG PRO 9 2HG PRO 9 -3.030 -17.480 6.239 63 2HG PRO 9 1HG PRO 9 -4.633 -17.138 6.916 64 1HD PRO 9 2HD PRO 9 -3.464 -19.559 7.142 65 2HD PRO 9 1HD PRO 9 -5.222 -19.371 6.979 66 H SER 10 H SER 10 -3.978 -19.547 1.694 67 HA SER 10 HA SER 10 -1.127 -19.508 1.662 68 1HB SER 10 2HB SER 10 -3.192 -20.497 -0.003 69 2HB SER 10 1HB SER 10 -2.223 -19.402 -0.990 70 HG SER 10 HG SER 10 -0.969 -21.309 0.655 71 H HIS 11 H HIS 11 -0.282 -17.523 2.090 72 HA HIS 11 HA HIS 11 -0.391 -15.574 -0.032 73 1HB HIS 11 2HB HIS 11 -1.804 -15.166 2.535 74 2HB HIS 11 1HB HIS 11 -0.815 -13.819 1.984 75 HD2 HIS 11 2HD HIS 11 -1.480 -13.608 -1.088 76 HE1 HIS 11 1HE HIS 11 -5.542 -13.826 0.079 77 HE2 HIS 11 2HE HIS 11 -3.932 -13.035 -1.713 78 H ILE 12 H ILE 12 0.936 -13.526 0.801 79 HA ILE 12 HA ILE 12 3.545 -14.510 1.415 80 HB ILE 12 HB ILE 12 3.382 -12.627 -0.058 81 1HG1 ILE 12 2HG1 ILE 12 4.427 -10.907 1.969 82 2HG1 ILE 12 1HG1 ILE 12 4.911 -12.556 2.355 83 1HG2 ILE 12 1HG2 ILE 12 2.544 -10.412 0.841 84 2HG2 ILE 12 2HG2 ILE 12 1.849 -11.328 2.178 85 3HG2 ILE 12 3HG2 ILE 12 1.321 -11.643 0.524 86 1HD1 ILE 12 1HD1 ILE 12 6.048 -12.807 0.310 87 2HD1 ILE 12 2HD1 ILE 12 6.502 -11.221 0.934 88 3HD1 ILE 12 3HD1 ILE 12 5.314 -11.351 -0.363 89 H SER 13 H SER 13 4.838 -14.035 3.238 90 HA SER 13 HA SER 13 3.720 -14.383 5.727 91 1HB SER 13 2HB SER 13 6.321 -13.869 4.689 92 2HB SER 13 1HB SER 13 6.067 -12.783 6.056 93 HG SER 13 HG SER 13 5.725 -14.511 7.371 94 H LYS 14 H LYS 14 4.747 -11.307 4.252 95 HA LYS 14 HA LYS 14 2.584 -9.859 5.352 96 1HB LYS 14 2HB LYS 14 3.692 -8.502 6.998 97 2HB LYS 14 1HB LYS 14 3.925 -10.192 7.422 98 1HG LYS 14 2HG LYS 14 6.080 -9.282 5.759 99 2HG LYS 14 1HG LYS 14 5.877 -8.215 7.151 100 1HD LYS 14 2HD LYS 14 5.968 -10.150 8.647 101 2HD LYS 14 1HD LYS 14 6.162 -11.218 7.256 102 1HE LYS 14 2HE LYS 14 8.105 -9.108 7.160 103 2HE LYS 14 1HE LYS 14 8.173 -9.918 8.724 104 1HZ LYS 14 1HZ LYS 14 9.372 -10.785 6.463 105 2HZ LYS 14 2HZ LYS 14 7.967 -11.725 6.495 106 3HZ LYS 14 3HZ LYS 14 9.029 -11.749 7.811 107 H TYR 15 H TYR 15 2.404 -7.822 4.505 108 HA TYR 15 HA TYR 15 4.362 -7.112 2.431 109 1HB TYR 15 2HB TYR 15 1.581 -7.345 2.363 110 2HB TYR 15 1HB TYR 15 1.865 -5.610 2.420 111 HD1 TYR 15 1HD TYR 15 1.173 -8.110 0.245 112 HD2 TYR 15 2HD TYR 15 4.053 -5.023 0.775 113 HE1 TYR 15 1HE TYR 15 1.606 -8.107 -2.176 114 HE2 TYR 15 2HE TYR 15 4.496 -5.013 -1.644 115 HH TYR 15 HH TYR 15 2.866 -5.814 -3.816 116 H ILE 16 H ILE 16 5.347 -5.094 2.430 117 HA ILE 16 HA ILE 16 4.709 -3.361 4.727 118 HB ILE 16 HB ILE 16 7.365 -3.977 3.453 119 1HG1 ILE 16 2HG1 ILE 16 6.574 -5.386 5.329 120 2HG1 ILE 16 1HG1 ILE 16 8.023 -4.477 5.748 121 1HG2 ILE 16 1HG2 ILE 16 7.046 -1.495 3.662 122 2HG2 ILE 16 2HG2 ILE 16 8.389 -2.147 4.600 123 3HG2 ILE 16 3HG2 ILE 16 6.876 -1.725 5.403 124 1HD1 ILE 16 1HD1 ILE 16 6.951 -3.820 7.571 125 2HD1 ILE 16 2HD1 ILE 16 5.422 -4.473 6.985 126 3HD1 ILE 16 3HD1 ILE 16 5.918 -2.842 6.529 127 H LEU 17 H LEU 17 3.961 -1.420 4.252 128 HA LEU 17 HA LEU 17 4.360 -0.400 1.525 129 1HB LEU 17 2HB LEU 17 2.030 -0.664 2.104 130 2HB LEU 17 1HB LEU 17 2.257 0.221 3.600 131 HG LEU 17 HG LEU 17 2.864 2.230 2.151 132 1HD1 LEU 17 1HD1 LEU 17 3.056 0.606 0.105 133 2HD1 LEU 17 2HD1 LEU 17 2.454 2.251 -0.102 134 3HD1 LEU 17 3HD1 LEU 17 1.322 0.900 -0.021 135 1HD2 LEU 17 1HD2 LEU 17 0.304 1.077 2.827 136 2HD2 LEU 17 2HD2 LEU 17 0.193 2.104 1.397 137 3HD2 LEU 17 3HD2 LEU 17 0.840 2.756 2.903 138 H ARG 18 H ARG 18 5.937 1.030 1.372 139 HA ARG 18 HA ARG 18 6.419 2.852 3.633 140 1HB ARG 18 2HB ARG 18 8.668 2.979 2.008 141 2HB ARG 18 1HB ARG 18 8.532 2.103 3.527 142 1HG ARG 18 2HG ARG 18 7.472 0.304 1.802 143 2HG ARG 18 1HG ARG 18 8.657 1.105 0.772 144 1HD ARG 18 2HD ARG 18 9.172 -0.967 2.486 145 2HD ARG 18 1HD ARG 18 10.376 0.136 1.822 146 HE ARG 18 HE ARG 18 9.137 0.389 4.484 147 1HH1 ARG 18 1HH1 ARG 18 11.740 1.015 2.251 148 2HH1 ARG 18 2HH1 ARG 18 12.766 1.731 3.448 149 1HH2 ARG 18 1HH2 ARG 18 10.484 1.328 6.067 150 2HH2 ARG 18 2HH2 ARG 18 12.052 1.908 5.617 151 H TRP 19 H TRP 19 6.115 4.976 3.279 152 HA TRP 19 HA TRP 19 6.424 6.071 0.631 153 1HB TRP 19 2HB TRP 19 4.188 6.774 0.265 154 2HB TRP 19 1HB TRP 19 4.112 5.067 0.676 155 HD1 TRP 19 HD TRP 19 2.695 8.358 1.608 156 HE1 TRP 19 1HE TRP 19 1.189 8.138 3.682 157 HE3 TRP 19 3HE TRP 19 4.018 3.643 3.064 158 HZ2 TRP 19 2HZ TRP 19 0.631 6.213 5.669 159 HZ3 TRP 19 3HZ TRP 19 2.946 2.683 5.060 160 HH2 TRP 19 HH TRP 19 1.288 3.942 6.335 161 H ARG 20 H ARG 20 6.543 8.293 0.543 162 HA ARG 20 HA ARG 20 6.190 9.866 2.957 163 1HB ARG 20 2HB ARG 20 8.354 10.156 3.480 164 2HB ARG 20 1HB ARG 20 8.693 8.794 2.426 165 1HG ARG 20 2HG ARG 20 8.489 11.331 0.999 166 2HG ARG 20 1HG ARG 20 9.770 11.301 2.210 167 1HD ARG 20 2HD ARG 20 11.033 10.196 0.757 168 2HD ARG 20 1HD ARG 20 9.918 8.838 0.894 169 HE ARG 20 HE ARG 20 8.662 10.126 -0.959 170 1HH1 ARG 20 1HH1 ARG 20 12.120 9.945 -0.587 171 2HH1 ARG 20 2HH1 ARG 20 12.443 10.121 -2.279 172 1HH2 ARG 20 1HH2 ARG 20 9.077 10.359 -3.193 173 2HH2 ARG 20 2HH2 ARG 20 10.714 10.357 -3.759 174 HA PRO 21 HA PRO 21 4.961 13.070 0.202 175 1HB PRO 21 2HB PRO 21 6.921 14.920 1.462 176 2HB PRO 21 1HB PRO 21 5.174 15.095 1.265 177 1HG PRO 21 2HG PRO 21 6.195 14.506 3.646 178 2HG PRO 21 1HG PRO 21 4.699 13.733 3.091 179 1HD PRO 21 2HD PRO 21 7.486 12.641 3.173 180 2HD PRO 21 1HD PRO 21 5.952 11.850 3.582 181 H LYS 22 H LYS 22 5.516 12.978 -1.855 182 HA LYS 22 HA LYS 22 8.156 12.672 -2.809 183 1HB LYS 22 2HB LYS 22 5.762 12.146 -3.855 184 2HB LYS 22 1HB LYS 22 6.031 13.709 -4.615 185 1HG LYS 22 2HG LYS 22 8.416 12.286 -4.955 186 2HG LYS 22 1HG LYS 22 7.114 11.141 -5.289 187 1HD LYS 22 2HD LYS 22 7.119 12.046 -7.342 188 2HD LYS 22 1HD LYS 22 6.235 13.373 -6.586 189 1HE LYS 22 2HE LYS 22 7.928 14.791 -6.900 190 2HE LYS 22 1HE LYS 22 9.096 13.650 -6.233 191 1HZ LYS 22 1HZ LYS 22 8.077 13.655 -9.024 192 2HZ LYS 22 2HZ LYS 22 9.191 12.552 -8.388 193 3HZ LYS 22 3HZ LYS 22 9.605 14.186 -8.527 194 H ASN 23 H ASN 23 6.042 15.473 -2.485 195 HA ASN 23 HA ASN 23 8.063 17.189 -3.717 196 1HB ASN 23 2HB ASN 23 5.382 17.232 -3.984 197 2HB ASN 23 1HB ASN 23 5.560 18.364 -2.647 198 1HD2 ASN 23 1HD2 ASN 23 6.040 17.805 -6.003 199 2HD2 ASN 23 2HD2 ASN 23 6.591 19.390 -6.412 200 H SER 24 H SER 24 6.306 16.799 -0.666 201 HA SER 24 HA SER 24 7.847 18.898 0.601 202 1HB SER 24 2HB SER 24 5.335 17.749 1.056 203 2HB SER 24 1HB SER 24 6.317 17.260 2.436 204 HG SER 24 HG SER 24 5.219 19.634 1.946 205 H VAL 25 H VAL 25 8.881 18.446 2.744 206 HA VAL 25 HA VAL 25 10.507 16.010 2.527 207 HB VAL 25 HB VAL 25 11.666 18.234 2.554 208 1HG1 VAL 25 1HG1 VAL 25 11.095 19.763 4.056 209 2HG1 VAL 25 2HG1 VAL 25 11.686 18.709 5.340 210 3HG1 VAL 25 3HG1 VAL 25 10.000 18.620 4.833 211 1HG2 VAL 25 1HG2 VAL 25 12.302 15.851 3.919 212 2HG2 VAL 25 2HG2 VAL 25 12.828 17.185 4.944 213 3HG2 VAL 25 3HG2 VAL 25 13.408 17.069 3.283 214 H GLY 26 H GLY 26 10.960 14.754 4.401 215 1HA GLY 26 2HA GLY 26 10.048 15.158 6.972 216 2HA GLY 26 1HA GLY 26 8.704 14.416 6.116 217 H ARG 27 H ARG 27 8.595 12.343 6.638 218 HA ARG 27 HA ARG 27 11.017 10.716 6.397 219 1HB ARG 27 2HB ARG 27 10.534 9.521 8.463 220 2HB ARG 27 1HB ARG 27 10.759 11.234 8.787 221 1HG ARG 27 2HG ARG 27 8.052 11.050 8.385 222 2HG ARG 27 1HG ARG 27 8.432 9.538 9.210 223 1HD ARG 27 2HD ARG 27 9.654 10.877 10.929 224 2HD ARG 27 1HD ARG 27 9.044 12.335 10.146 225 HE ARG 27 HE ARG 27 7.034 11.979 11.163 226 1HH1 ARG 27 1HH1 ARG 27 8.831 8.992 11.179 227 2HH1 ARG 27 2HH1 ARG 27 7.670 8.150 12.149 228 1HH2 ARG 27 1HH2 ARG 27 5.500 10.875 12.441 229 2HH2 ARG 27 2HH2 ARG 27 5.778 9.218 12.864 230 H TRP 28 H TRP 28 10.441 8.331 6.464 231 HA TRP 28 HA TRP 28 8.267 7.897 4.612 232 1HB TRP 28 2HB TRP 28 10.361 6.073 5.796 233 2HB TRP 28 1HB TRP 28 9.099 5.501 4.711 234 HD1 TRP 28 HD TRP 28 12.109 7.928 4.710 235 HE1 TRP 28 1HE TRP 28 12.988 8.104 2.297 236 HE3 TRP 28 3HE TRP 28 8.542 5.135 2.342 237 HZ2 TRP 28 2HZ TRP 28 12.264 7.179 -0.271 238 HZ3 TRP 28 3HZ TRP 28 8.708 4.829 -0.093 239 HH2 TRP 28 HH TRP 28 10.531 5.832 -1.372 240 H LYS 29 H LYS 29 6.954 5.793 4.995 241 HA LYS 29 HA LYS 29 6.162 5.513 7.801 242 1HB LYS 29 2HB LYS 29 4.685 7.023 5.984 243 2HB LYS 29 1HB LYS 29 3.862 5.470 6.017 244 1HG LYS 29 2HG LYS 29 2.951 5.913 7.988 245 2HG LYS 29 1HG LYS 29 4.516 6.340 8.683 246 1HD LYS 29 2HD LYS 29 3.264 8.297 6.841 247 2HD LYS 29 1HD LYS 29 2.530 8.101 8.435 248 1HE LYS 29 2HE LYS 29 4.267 9.067 9.493 249 2HE LYS 29 1HE LYS 29 5.460 8.319 8.432 250 1HZ LYS 29 1HZ LYS 29 3.782 10.392 7.259 251 2HZ LYS 29 2HZ LYS 29 5.423 10.058 7.013 252 3HZ LYS 29 3HZ LYS 29 4.930 10.904 8.393 253 H GLU 30 H GLU 30 5.600 3.437 8.342 254 HA GLU 30 HA GLU 30 5.549 1.497 6.123 255 1HB GLU 30 2HB GLU 30 6.779 1.253 8.864 256 2HB GLU 30 1HB GLU 30 6.514 -0.127 7.807 257 1HG GLU 30 2HG GLU 30 7.972 0.842 6.131 258 2HG GLU 30 1HG GLU 30 8.198 2.276 7.133 259 H ALA 31 H ALA 31 3.932 0.091 6.018 260 HA ALA 31 HA ALA 31 2.216 -0.354 8.351 261 1HB ALA 31 1HB ALA 31 0.274 -0.241 6.575 262 2HB ALA 31 2HB ALA 31 1.395 0.842 5.749 263 3HB ALA 31 3HB ALA 31 0.850 1.217 7.384 264 H THR 32 H THR 32 2.133 -2.490 8.653 265 HA THR 32 HA THR 32 2.773 -4.282 6.473 266 HB THR 32 HB THR 32 2.129 -4.929 9.352 267 HG1 THR 32 1HG THR 32 4.418 -5.157 9.497 268 1HG2 THR 32 1HG2 THR 32 3.448 -6.667 7.262 269 2HG2 THR 32 2HG2 THR 32 1.744 -6.782 7.705 270 3HG2 THR 32 3HG2 THR 32 2.992 -7.125 8.904 271 H ILE 33 H ILE 33 1.425 -5.488 5.347 272 HA ILE 33 HA ILE 33 -1.317 -5.889 6.315 273 HB ILE 33 HB ILE 33 -0.748 -5.349 3.408 274 1HG1 ILE 33 2HG1 ILE 33 -2.088 -3.119 4.402 275 2HG1 ILE 33 1HG1 ILE 33 -0.841 -3.438 5.603 276 1HG2 ILE 33 1HG2 ILE 33 -2.901 -5.809 3.129 277 2HG2 ILE 33 2HG2 ILE 33 -3.357 -4.625 4.353 278 3HG2 ILE 33 3HG2 ILE 33 -2.980 -6.283 4.826 279 1HD1 ILE 33 1HD1 ILE 33 -0.485 -1.957 3.376 280 2HD1 ILE 33 2HD1 ILE 33 0.071 -3.536 2.819 281 3HD1 ILE 33 3HD1 ILE 33 0.810 -2.791 4.236 282 HA PRO 34 HA PRO 34 0.325 -10.024 5.439 283 1HB PRO 34 2HB PRO 34 -2.377 -10.756 6.415 284 2HB PRO 34 1HB PRO 34 -0.798 -11.343 6.939 285 1HG PRO 34 2HG PRO 34 -2.198 -9.663 8.458 286 2HG PRO 34 1HG PRO 34 -0.435 -9.513 8.320 287 1HD PRO 34 2HD PRO 34 -2.584 -7.898 6.999 288 2HD PRO 34 1HD PRO 34 -1.043 -7.363 7.702 289 H GLY 35 H GLY 35 0.265 -9.739 3.163 290 1HA GLY 35 2HA GLY 35 -0.447 -10.246 1.043 291 2HA GLY 35 1HA GLY 35 -1.546 -11.389 1.798 292 H HIS 36 H HIS 36 -3.674 -10.815 2.166 293 HA HIS 36 HA HIS 36 -4.624 -8.153 1.647 294 1HB HIS 36 2HB HIS 36 -4.360 -9.832 -0.571 295 2HB HIS 36 1HB HIS 36 -6.068 -9.917 -0.151 296 HD2 HIS 36 2HD HIS 36 -7.227 -8.257 -1.907 297 HE1 HIS 36 1HE HIS 36 -4.579 -4.996 -1.387 298 HE2 HIS 36 2HE HIS 36 -6.598 -5.855 -2.658 299 H LEU 37 H LEU 37 -5.601 -8.273 3.648 300 HA LEU 37 HA LEU 37 -7.191 -10.467 4.482 301 1HB LEU 37 2HB LEU 37 -8.144 -8.439 6.015 302 2HB LEU 37 1HB LEU 37 -6.729 -9.395 6.391 303 HG LEU 37 HG LEU 37 -6.488 -6.913 6.686 304 1HD1 LEU 37 1HD1 LEU 37 -4.247 -6.903 6.080 305 2HD1 LEU 37 2HD1 LEU 37 -4.520 -7.934 4.676 306 3HD1 LEU 37 3HD1 LEU 37 -4.620 -8.613 6.301 307 1HD2 LEU 37 1HD2 LEU 37 -5.852 -6.347 3.937 308 2HD2 LEU 37 2HD2 LEU 37 -6.903 -5.474 5.052 309 3HD2 LEU 37 3HD2 LEU 37 -7.544 -6.817 4.106 310 H ASN 38 H ASN 38 -7.878 -7.492 2.778 311 HA ASN 38 HA ASN 38 -10.102 -8.320 1.434 312 1HB ASN 38 2HB ASN 38 -10.758 -7.792 4.204 313 2HB ASN 38 1HB ASN 38 -11.637 -6.700 3.138 314 1HD2 ASN 38 1HD2 ASN 38 -12.533 -7.881 1.133 315 2HD2 ASN 38 2HD2 ASN 38 -13.370 -9.356 1.464 316 H SER 39 H SER 39 -10.293 -5.378 3.372 317 HA SER 39 HA SER 39 -9.464 -3.823 1.016 318 1HB SER 39 2HB SER 39 -11.764 -3.171 2.875 319 2HB SER 39 1HB SER 39 -11.207 -2.165 1.538 320 HG SER 39 HG SER 39 -11.772 -4.778 0.869 321 H TYR 40 H TYR 40 -7.715 -2.671 1.475 322 HA TYR 40 HA TYR 40 -7.376 -1.678 4.228 323 1HB TYR 40 2HB TYR 40 -5.692 -3.380 3.469 324 2HB TYR 40 1HB TYR 40 -5.172 -2.235 2.237 325 HD1 TYR 40 1HD TYR 40 -5.311 -2.887 5.860 326 HD2 TYR 40 2HD TYR 40 -3.793 -0.354 2.796 327 HE1 TYR 40 1HE TYR 40 -3.779 -1.855 7.480 328 HE2 TYR 40 2HE TYR 40 -2.256 0.685 4.409 329 HH TYR 40 HH TYR 40 -1.403 0.568 6.477 330 H THR 41 H THR 41 -7.771 0.422 4.357 331 HA THR 41 HA THR 41 -6.882 2.154 2.145 332 HB THR 41 HB THR 41 -9.244 2.225 2.040 333 HG1 THR 41 1HG THR 41 -8.298 4.309 2.030 334 1HG2 THR 41 1HG2 THR 41 -10.366 3.045 4.352 335 2HG2 THR 41 2HG2 THR 41 -9.058 2.042 4.981 336 3HG2 THR 41 3HG2 THR 41 -10.245 1.351 3.874 337 H ILE 42 H ILE 42 -5.550 3.768 2.668 338 HA ILE 42 HA ILE 42 -4.759 4.083 5.433 339 HB ILE 42 HB ILE 42 -3.655 5.014 2.828 340 1HG1 ILE 42 2HG1 ILE 42 -2.956 2.856 3.642 341 2HG1 ILE 42 1HG1 ILE 42 -1.623 3.977 3.823 342 1HG2 ILE 42 1HG2 ILE 42 -3.452 7.038 3.995 343 2HG2 ILE 42 2HG2 ILE 42 -1.899 6.238 4.231 344 3HG2 ILE 42 3HG2 ILE 42 -3.102 6.225 5.520 345 1HD1 ILE 42 1HD1 ILE 42 -1.449 3.249 5.904 346 2HD1 ILE 42 2HD1 ILE 42 -3.009 2.432 5.821 347 3HD1 ILE 42 3HD1 ILE 42 -2.931 4.143 6.240 348 H LYS 43 H LYS 43 -5.408 5.662 6.755 349 HA LYS 43 HA LYS 43 -6.886 7.926 5.586 350 1HB LYS 43 2HB LYS 43 -8.050 8.065 7.783 351 2HB LYS 43 1HB LYS 43 -8.347 6.559 6.925 352 1HG LYS 43 2HG LYS 43 -6.073 6.441 8.750 353 2HG LYS 43 1HG LYS 43 -7.614 6.776 9.543 354 1HD LYS 43 2HD LYS 43 -8.326 4.682 9.242 355 2HD LYS 43 1HD LYS 43 -7.849 4.688 7.542 356 1HE LYS 43 2HE LYS 43 -6.715 2.986 9.061 357 2HE LYS 43 1HE LYS 43 -5.671 3.971 8.038 358 1HZ LYS 43 1HZ LYS 43 -6.232 5.010 10.698 359 2HZ LYS 43 2HZ LYS 43 -4.796 5.038 9.806 360 3HZ LYS 43 3HZ LYS 43 -5.251 3.632 10.627 361 H GLY 44 H GLY 44 -7.018 9.670 7.602 362 1HA GLY 44 2HA GLY 44 -5.863 11.217 8.860 363 2HA GLY 44 1HA GLY 44 -4.539 10.067 8.969 364 H LEU 45 H LEU 45 -5.972 11.406 6.028 365 HA LEU 45 HA LEU 45 -3.588 13.048 5.600 366 1HB LEU 45 2HB LEU 45 -4.427 11.650 3.182 367 2HB LEU 45 1HB LEU 45 -2.811 11.952 3.800 368 HG LEU 45 HG LEU 45 -4.100 9.943 5.414 369 1HD1 LEU 45 1HD1 LEU 45 -5.012 9.861 2.783 370 2HD1 LEU 45 2HD1 LEU 45 -5.088 8.565 3.976 371 3HD1 LEU 45 3HD1 LEU 45 -3.724 8.657 2.859 372 1HD2 LEU 45 1HD2 LEU 45 -1.629 10.495 4.895 373 2HD2 LEU 45 2HD2 LEU 45 -1.876 9.476 3.475 374 3HD2 LEU 45 3HD2 LEU 45 -2.108 8.808 5.093 375 H LYS 46 H LYS 46 -3.976 14.020 3.147 376 HA LYS 46 HA LYS 46 -6.698 14.698 2.601 377 1HB LYS 46 2HB LYS 46 -6.142 17.221 2.909 378 2HB LYS 46 1HB LYS 46 -6.635 16.272 4.304 379 1HG LYS 46 2HG LYS 46 -4.830 17.161 5.275 380 2HG LYS 46 1HG LYS 46 -3.940 15.945 4.356 381 1HD LYS 46 2HD LYS 46 -2.783 17.705 3.571 382 2HD LYS 46 1HD LYS 46 -4.181 17.931 2.516 383 1HE LYS 46 2HE LYS 46 -4.904 19.755 3.644 384 2HE LYS 46 1HE LYS 46 -4.373 19.132 5.206 385 1HZ LYS 46 1HZ LYS 46 -2.200 19.752 3.434 386 2HZ LYS 46 2HZ LYS 46 -2.444 20.208 5.045 387 3HZ LYS 46 3HZ LYS 46 -3.155 21.101 3.797 388 HA PRO 47 HA PRO 47 -5.053 15.351 -1.434 389 1HB PRO 47 2HB PRO 47 -7.005 17.531 -1.811 390 2HB PRO 47 1HB PRO 47 -6.836 16.009 -2.690 391 1HG PRO 47 2HG PRO 47 -8.861 16.418 -0.987 392 2HG PRO 47 1HG PRO 47 -8.096 14.828 -1.156 393 1HD PRO 47 2HD PRO 47 -7.734 16.889 0.985 394 2HD PRO 47 1HD PRO 47 -7.847 15.123 1.130 395 H GLY 48 H GLY 48 -4.179 17.039 -2.904 396 1HA GLY 48 2HA GLY 48 -3.302 19.218 -3.271 397 2HA GLY 48 1HA GLY 48 -3.414 19.522 -1.545 398 H VAL 49 H VAL 49 -2.169 16.558 -1.586 399 HA VAL 49 HA VAL 49 0.609 17.534 -1.779 400 HB VAL 49 HB VAL 49 0.101 15.179 -0.082 401 1HG1 VAL 49 1HG1 VAL 49 2.292 15.798 0.016 402 2HG1 VAL 49 2HG1 VAL 49 1.656 16.701 1.394 403 3HG1 VAL 49 3HG1 VAL 49 1.929 17.518 -0.145 404 1HG2 VAL 49 1HG2 VAL 49 -0.329 17.557 1.504 405 2HG2 VAL 49 2HG2 VAL 49 -1.251 16.051 1.451 406 3HG2 VAL 49 3HG2 VAL 49 -1.597 17.342 0.297 407 H VAL 50 H VAL 50 1.787 16.566 -3.302 408 HA VAL 50 HA VAL 50 0.856 14.108 -4.527 409 HB VAL 50 HB VAL 50 1.735 15.631 -6.104 410 1HG1 VAL 50 1HG1 VAL 50 2.912 17.152 -4.703 411 2HG1 VAL 50 2HG1 VAL 50 4.052 16.555 -5.910 412 3HG1 VAL 50 3HG1 VAL 50 4.098 15.923 -4.263 413 1HG2 VAL 50 1HG2 VAL 50 4.195 14.360 -6.393 414 2HG2 VAL 50 2HG2 VAL 50 2.663 13.884 -7.124 415 3HG2 VAL 50 3HG2 VAL 50 3.165 13.175 -5.589 416 H TYR 51 H TYR 51 1.162 12.369 -3.274 417 HA TYR 51 HA TYR 51 3.608 12.098 -1.716 418 1HB TYR 51 2HB TYR 51 0.889 11.168 -1.503 419 2HB TYR 51 1HB TYR 51 1.999 9.810 -1.403 420 HD1 TYR 51 1HD TYR 51 3.947 10.039 0.306 421 HD2 TYR 51 2HD TYR 51 0.439 12.437 0.368 422 HE1 TYR 51 1HE TYR 51 4.345 10.551 2.679 423 HE2 TYR 51 2HE TYR 51 0.822 12.953 2.741 424 HH TYR 51 HH TYR 51 2.527 11.338 4.723 425 H GLU 52 H GLU 52 4.759 10.070 -1.675 426 HA GLU 52 HA GLU 52 4.748 8.654 -4.264 427 1HB GLU 52 2HB GLU 52 6.806 9.856 -4.167 428 2HB GLU 52 1HB GLU 52 7.046 9.453 -2.472 429 1HG GLU 52 2HG GLU 52 8.504 7.987 -3.380 430 2HG GLU 52 1HG GLU 52 7.053 6.989 -3.452 431 H GLY 53 H GLY 53 4.380 6.485 -4.113 432 1HA GLY 53 2HA GLY 53 4.552 5.324 -1.402 433 2HA GLY 53 1HA GLY 53 3.262 4.938 -2.524 434 H GLN 54 H GLN 54 5.259 3.296 -1.103 435 HA GLN 54 HA GLN 54 6.209 1.788 -3.437 436 1HB GLN 54 2HB GLN 54 7.796 2.419 -0.944 437 2HB GLN 54 1HB GLN 54 8.258 1.179 -2.102 438 1HG GLN 54 2HG GLN 54 8.108 3.115 -3.827 439 2HG GLN 54 1HG GLN 54 8.253 4.146 -2.405 440 1HE2 GLN 54 1HE2 GLN 54 9.952 2.475 -0.897 441 2HE2 GLN 54 2HE2 GLN 54 11.503 2.465 -1.658 442 H LEU 55 H LEU 55 5.715 -0.343 -3.352 443 HA LEU 55 HA LEU 55 4.735 -1.389 -0.776 444 1HB LEU 55 2HB LEU 55 3.162 -0.992 -2.881 445 2HB LEU 55 1HB LEU 55 3.800 -2.553 -3.353 446 HG LEU 55 HG LEU 55 2.780 -3.658 -1.565 447 1HD1 LEU 55 1HD1 LEU 55 1.529 -2.112 0.186 448 2HD1 LEU 55 2HD1 LEU 55 2.828 -1.002 -0.251 449 3HD1 LEU 55 3HD1 LEU 55 3.211 -2.597 0.397 450 1HD2 LEU 55 1HD2 LEU 55 1.096 -1.557 -2.810 451 2HD2 LEU 55 2HD2 LEU 55 0.409 -2.503 -1.491 452 3HD2 LEU 55 3HD2 LEU 55 1.000 -3.313 -2.942 453 H ILE 56 H ILE 56 6.273 -2.668 0.016 454 HA ILE 56 HA ILE 56 7.593 -4.576 -1.804 455 HB ILE 56 HB ILE 56 8.652 -3.405 0.771 456 1HG1 ILE 56 2HG1 ILE 56 10.459 -2.618 -0.962 457 2HG1 ILE 56 1HG1 ILE 56 9.173 -2.858 -2.140 458 1HG2 ILE 56 1HG2 ILE 56 10.780 -4.576 -0.023 459 2HG2 ILE 56 2HG2 ILE 56 9.727 -5.508 -1.089 460 3HG2 ILE 56 3HG2 ILE 56 9.506 -5.587 0.660 461 1HD1 ILE 56 1HD1 ILE 56 8.549 -1.250 0.267 462 2HD1 ILE 56 2HD1 ILE 56 7.976 -1.083 -1.393 463 3HD1 ILE 56 3HD1 ILE 56 9.595 -0.535 -0.958 464 H SER 57 H SER 57 6.910 -6.593 -1.542 465 HA SER 57 HA SER 57 5.699 -7.440 0.960 466 1HB SER 57 2HB SER 57 5.022 -7.974 -1.596 467 2HB SER 57 1HB SER 57 6.045 -9.370 -1.263 468 HG SER 57 HG SER 57 4.512 -9.118 0.831 469 H ILE 58 H ILE 58 6.742 -8.575 2.457 470 HA ILE 58 HA ILE 58 9.325 -9.795 1.737 471 HB ILE 58 HB ILE 58 8.421 -8.706 4.407 472 1HG1 ILE 58 2HG1 ILE 58 10.844 -7.549 3.550 473 2HG1 ILE 58 1HG1 ILE 58 9.781 -7.543 2.146 474 1HG2 ILE 58 1HG2 ILE 58 10.251 -9.592 5.422 475 2HG2 ILE 58 2HG2 ILE 58 11.222 -9.559 3.951 476 3HG2 ILE 58 3HG2 ILE 58 10.019 -10.826 4.184 477 1HD1 ILE 58 1HD1 ILE 58 9.797 -5.540 3.804 478 2HD1 ILE 58 2HD1 ILE 58 8.743 -6.580 4.763 479 3HD1 ILE 58 3HD1 ILE 58 8.277 -6.120 3.126 480 H GLN 59 H GLN 59 9.481 -11.922 1.862 481 HA GLN 59 HA GLN 59 7.367 -13.420 3.238 482 1HB GLN 59 2HB GLN 59 8.700 -13.754 0.746 483 2HB GLN 59 1HB GLN 59 9.120 -15.126 1.763 484 1HG GLN 59 2HG GLN 59 6.279 -14.245 1.404 485 2HG GLN 59 1HG GLN 59 7.071 -15.329 0.262 486 1HE2 GLN 59 1HE2 GLN 59 7.319 -17.432 0.770 487 2HE2 GLN 59 2HE2 GLN 59 6.779 -18.148 2.246 488 H GLN 60 H GLN 60 8.405 -15.754 3.865 489 HA GLN 60 HA GLN 60 9.956 -15.247 6.164 490 1HB GLN 60 2HB GLN 60 9.480 -17.879 4.753 491 2HB GLN 60 1HB GLN 60 10.067 -17.686 6.399 492 1HG GLN 60 2HG GLN 60 7.569 -16.278 5.932 493 2HG GLN 60 1HG GLN 60 7.446 -18.009 5.627 494 1HE2 GLN 60 1HE2 GLN 60 5.974 -17.905 7.473 495 2HE2 GLN 60 2HE2 GLN 60 6.630 -18.010 9.067 496 H TYR 61 H TYR 61 10.801 -16.006 2.885 497 HA TYR 61 HA TYR 61 13.589 -16.513 3.626 498 1HB TYR 61 2HB TYR 61 12.691 -16.573 0.785 499 2HB TYR 61 1HB TYR 61 13.863 -17.592 1.612 500 HD1 TYR 61 1HD TYR 61 12.797 -19.166 3.479 501 HD2 TYR 61 2HD TYR 61 10.670 -17.505 0.188 502 HE1 TYR 61 1HE TYR 61 11.105 -20.939 3.683 503 HE2 TYR 61 2HE TYR 61 8.973 -19.273 0.386 504 HH TYR 61 HH TYR 61 8.673 -21.448 1.284 505 H GLY 62 H GLY 62 11.721 -13.904 3.020 506 1HA GLY 62 2HA GLY 62 13.021 -11.777 3.060 507 2HA GLY 62 1HA GLY 62 13.938 -12.443 1.718 508 H HIS 63 H HIS 63 12.834 -10.007 1.395 509 HA HIS 63 HA HIS 63 10.225 -9.864 0.432 510 1HB HIS 63 2HB HIS 63 10.961 -7.839 -0.773 511 2HB HIS 63 1HB HIS 63 11.548 -7.868 0.887 512 HD2 HIS 63 2HD HIS 63 14.078 -7.057 1.005 513 HE1 HIS 63 1HE HIS 63 15.306 -8.450 -2.798 514 HE2 HIS 63 2HE HIS 63 16.068 -7.382 -0.627 515 H GLN 64 H GLN 64 9.376 -9.839 -1.705 516 HA GLN 64 HA GLN 64 11.000 -10.861 -3.870 517 1HB GLN 64 2HB GLN 64 8.914 -12.610 -4.101 518 2HB GLN 64 1HB GLN 64 10.494 -13.009 -3.440 519 1HG GLN 64 2HG GLN 64 9.591 -12.405 -1.180 520 2HG GLN 64 1HG GLN 64 8.002 -12.292 -1.925 521 1HE2 GLN 64 1HE2 GLN 64 10.478 -14.376 -0.799 522 2HE2 GLN 64 2HE2 GLN 64 9.624 -15.857 -1.025 523 H GLU 65 H GLU 65 8.825 -8.755 -2.850 524 HA GLU 65 HA GLU 65 7.685 -8.418 -5.520 525 1HB GLU 65 2HB GLU 65 6.178 -9.509 -3.469 526 2HB GLU 65 1HB GLU 65 5.737 -7.808 -3.435 527 1HG GLU 65 2HG GLU 65 4.733 -7.880 -5.475 528 2HG GLU 65 1HG GLU 65 5.772 -9.174 -6.067 529 H VAL 66 H VAL 66 8.215 -6.431 -6.141 530 HA VAL 66 HA VAL 66 7.969 -4.247 -4.194 531 HB VAL 66 HB VAL 66 10.264 -4.444 -4.129 532 1HG1 VAL 66 1HG1 VAL 66 10.415 -4.960 -7.086 533 2HG1 VAL 66 2HG1 VAL 66 10.278 -6.238 -5.877 534 3HG1 VAL 66 3HG1 VAL 66 11.684 -5.170 -5.881 535 1HG2 VAL 66 1HG2 VAL 66 10.788 -2.791 -6.389 536 2HG2 VAL 66 2HG2 VAL 66 10.699 -2.344 -4.684 537 3HG2 VAL 66 3HG2 VAL 66 9.246 -2.310 -5.682 538 H THR 67 H THR 67 6.651 -2.737 -4.931 539 HA THR 67 HA THR 67 6.604 -2.148 -7.809 540 HB THR 67 HB THR 67 4.079 -2.249 -6.160 541 HG1 THR 67 1HG THR 67 4.254 -4.350 -6.352 542 1HG2 THR 67 1HG2 THR 67 3.188 -2.523 -8.597 543 2HG2 THR 67 2HG2 THR 67 4.744 -1.826 -9.045 544 3HG2 THR 67 3HG2 THR 67 3.641 -0.923 -8.008 545 H ARG 68 H ARG 68 6.992 -0.062 -8.142 546 HA ARG 68 HA ARG 68 6.554 1.829 -5.943 547 1HB ARG 68 2HB ARG 68 8.007 2.599 -8.431 548 2HB ARG 68 1HB ARG 68 8.284 3.105 -6.769 549 1HG ARG 68 2HG ARG 68 9.705 1.417 -6.354 550 2HG ARG 68 1HG ARG 68 8.772 0.258 -7.301 551 1HD ARG 68 2HD ARG 68 9.642 1.328 -9.365 552 2HD ARG 68 1HD ARG 68 10.657 2.360 -8.359 553 HE ARG 68 HE ARG 68 11.097 -0.361 -7.732 554 1HH1 ARG 68 1HH1 ARG 68 11.757 2.017 -10.192 555 2HH1 ARG 68 2HH1 ARG 68 13.216 1.250 -10.723 556 1HH2 ARG 68 1HH2 ARG 68 13.014 -1.376 -8.423 557 2HH2 ARG 68 2HH2 ARG 68 13.930 -0.680 -9.717 558 H PHE 69 H PHE 69 5.049 3.366 -6.035 559 HA PHE 69 HA PHE 69 4.070 4.390 -8.546 560 1HB PHE 69 2HB PHE 69 1.677 3.866 -7.976 561 2HB PHE 69 1HB PHE 69 2.649 2.478 -8.448 562 HD1 PHE 69 1HD PHE 69 3.276 0.783 -6.817 563 HD2 PHE 69 2HD PHE 69 0.851 4.109 -5.732 564 HE1 PHE 69 1HE PHE 69 2.629 -0.370 -4.743 565 HE2 PHE 69 2HE PHE 69 0.202 2.963 -3.655 566 HZ PHE 69 HZ PHE 69 1.091 0.720 -3.158 567 H ASP 70 H ASP 70 3.476 6.448 -8.378 568 HA ASP 70 HA ASP 70 3.394 7.626 -5.700 569 1HB ASP 70 2HB ASP 70 3.217 9.743 -7.432 570 2HB ASP 70 1HB ASP 70 4.725 9.106 -6.783 571 H PHE 71 H PHE 71 1.659 9.033 -5.078 572 HA PHE 71 HA PHE 71 -0.699 9.064 -6.768 573 1HB PHE 71 2HB PHE 71 -2.142 7.949 -5.187 574 2HB PHE 71 1HB PHE 71 -0.781 6.894 -5.569 575 HD1 PHE 71 1HD PHE 71 -2.770 8.118 -2.990 576 HD2 PHE 71 2HD PHE 71 1.282 7.189 -3.904 577 HE1 PHE 71 1HE PHE 71 -2.287 7.877 -0.589 578 HE2 PHE 71 2HE PHE 71 1.771 6.947 -1.505 579 HZ PHE 71 HZ PHE 71 -0.014 7.291 0.156 580 H THR 72 H THR 72 -2.342 10.488 -6.068 581 HA THR 72 HA THR 72 -1.330 12.615 -4.321 582 HB THR 72 HB THR 72 -3.549 13.690 -5.476 583 HG1 THR 72 1HG THR 72 -3.911 12.826 -7.402 584 1HG2 THR 72 1HG2 THR 72 -1.681 15.006 -5.609 585 2HG2 THR 72 2HG2 THR 72 -1.765 14.455 -7.282 586 3HG2 THR 72 3HG2 THR 72 -0.652 13.681 -6.154 587 H THR 73 H THR 73 -3.055 13.869 -3.163 588 HA THR 73 HA THR 73 -4.766 14.061 -1.679 589 HB THR 73 HB THR 73 -5.680 11.403 -2.782 590 HG1 THR 73 1HG THR 73 -5.870 13.504 -3.995 591 1HG2 THR 73 1HG2 THR 73 -7.386 13.126 -1.033 592 2HG2 THR 73 2HG2 THR 73 -6.229 12.019 -0.288 593 3HG2 THR 73 3HG2 THR 73 -7.493 11.395 -1.351 594 H THR 74 H THR 74 -3.005 13.948 -0.187 595 HA THR 74 HA THR 74 -3.452 12.403 2.018 596 HB THR 74 HB THR 74 -2.840 10.347 1.183 597 HG1 THR 74 1HG THR 74 -1.251 11.320 2.872 598 1HG2 THR 74 1HG2 THR 74 -0.789 10.081 -0.328 599 2HG2 THR 74 2HG2 THR 74 -0.863 11.833 -0.526 600 3HG2 THR 74 3HG2 THR 74 -2.224 10.829 -1.031 601 H SER 75 H SER 75 -2.285 13.173 3.713 602 HA SER 75 HA SER 75 0.095 14.791 3.092 603 1HB SER 75 2HB SER 75 -2.154 15.981 3.791 604 2HB SER 75 1HB SER 75 -1.663 15.490 5.412 605 HG SER 75 HG SER 75 0.103 16.844 3.672 606 H THR 76 H THR 76 1.067 15.381 5.492 607 HA THR 76 HA THR 76 2.084 12.873 6.427 608 HB THR 76 HB THR 76 3.502 14.138 7.889 609 HG1 THR 76 1HG THR 76 2.142 15.657 8.766 610 1HG2 THR 76 1HG2 THR 76 4.681 14.597 6.051 611 2HG2 THR 76 2HG2 THR 76 3.881 16.168 6.010 612 3HG2 THR 76 3HG2 THR 76 3.216 14.815 5.096 613 H SER 77 H SER 77 1.941 12.047 8.573 614 HA SER 77 HA SER 77 -0.275 13.084 10.193 615 1HB SER 77 2HB SER 77 -0.340 10.257 10.412 616 2HB SER 77 1HB SER 77 -1.571 11.320 9.731 617 HG SER 77 HG SER 77 -0.911 9.804 8.192 618 H THR 78 H THR 78 0.019 12.972 12.361 619 HA THR 78 HA THR 78 2.198 11.350 13.433 620 HB THR 78 HB THR 78 2.610 13.602 14.884 621 HG1 THR 78 1HG THR 78 2.706 15.330 13.329 622 1HG2 THR 78 1HG2 THR 78 3.934 12.793 12.296 623 2HG2 THR 78 2HG2 THR 78 4.388 12.297 13.926 624 3HG2 THR 78 3HG2 THR 78 4.601 13.973 13.423 625 HA PRO 79 HA PRO 79 -1.584 11.690 16.180 626 1HB PRO 79 2HB PRO 79 -2.581 9.214 15.914 627 2HB PRO 79 1HB PRO 79 -2.939 10.484 14.737 628 1HG PRO 79 2HG PRO 79 -0.978 8.234 14.563 629 2HG PRO 79 1HG PRO 79 -2.062 8.875 13.315 630 1HD PRO 79 2HD PRO 79 0.613 9.500 13.525 631 2HD PRO 79 1HD PRO 79 -0.596 10.524 12.728 632 H GLY 80 H GLY 80 -1.991 8.817 17.198 633 1HA GLY 80 2HA GLY 80 0.125 7.581 18.299 634 2HA GLY 80 1HA GLY 80 -0.015 9.012 19.309 635 H SER 81 H SER 81 -2.361 9.405 20.080 636 HA SER 81 HA SER 81 -3.606 6.837 20.799 637 1HB SER 81 2HB SER 81 -3.910 7.547 23.070 638 2HB SER 81 1HB SER 81 -2.212 7.804 22.669 639 HG SER 81 HG SER 81 -2.480 9.864 22.970 640 H ARG 82 H ARG 82 -3.966 9.767 19.334 641 HA ARG 82 HA ARG 82 -6.743 10.187 20.109 642 1HB ARG 82 2HB ARG 82 -4.651 11.843 19.129 643 2HB ARG 82 1HB ARG 82 -5.952 11.878 17.948 644 1HG ARG 82 2HG ARG 82 -6.892 13.438 19.213 645 2HG ARG 82 1HG ARG 82 -7.255 12.155 20.369 646 1HD ARG 82 2HD ARG 82 -6.159 13.799 21.630 647 2HD ARG 82 1HD ARG 82 -4.926 12.581 21.314 648 HE ARG 82 HE ARG 82 -3.743 14.162 20.182 649 1HH1 ARG 82 1HH1 ARG 82 -7.079 15.167 20.304 650 2HH1 ARG 82 2HH1 ARG 82 -6.779 16.698 19.552 651 1HH2 ARG 82 1HH2 ARG 82 -3.342 16.178 19.193 652 2HH2 ARG 82 2HH2 ARG 82 -4.656 17.271 18.920 653 H SER 83 H SER 83 -8.478 9.704 18.873 654 HA SER 83 HA SER 83 -7.955 8.283 16.353 655 1HB SER 83 2HB SER 83 -10.305 8.162 18.254 656 2HB SER 83 1HB SER 83 -10.266 7.347 16.691 657 HG SER 83 HG SER 83 -9.117 5.835 17.568 658 H HIS 84 H HIS 84 -9.224 8.702 14.511 659 HA HIS 84 HA HIS 84 -10.848 11.147 14.587 660 1HB HIS 84 2HB HIS 84 -8.640 10.542 12.612 661 2HB HIS 84 1HB HIS 84 -9.823 11.830 12.403 662 HD2 HIS 84 2HD HIS 84 -6.375 11.815 13.251 663 HE1 HIS 84 1HE HIS 84 -8.020 14.407 16.165 664 HE2 HIS 84 2HE HIS 84 -5.914 13.753 14.912 665 H HIS 85 H HIS 85 -12.397 9.231 14.654 666 HA HIS 85 HA HIS 85 -12.972 8.304 11.918 667 1HB HIS 85 2HB HIS 85 -13.005 6.957 14.506 668 2HB HIS 85 1HB HIS 85 -14.516 6.757 13.623 669 HD2 HIS 85 2HD HIS 85 -10.765 5.758 13.367 670 HE1 HIS 85 1HE HIS 85 -12.960 3.715 10.379 671 HE2 HIS 85 2HE HIS 85 -10.667 4.065 11.403 672 H HIS 86 H HIS 86 -13.994 10.337 14.397 673 HA HIS 86 HA HIS 86 -16.368 11.063 12.952 674 1HB HIS 86 2HB HIS 86 -16.572 9.223 15.153 675 2HB HIS 86 1HB HIS 86 -17.366 10.736 15.575 676 HD2 HIS 86 2HD HIS 86 -19.172 11.561 13.296 677 HE1 HIS 86 1HE HIS 86 -20.147 7.485 12.704 678 HE2 HIS 86 2HE HIS 86 -20.913 9.879 12.365 679 H HIS 87 H HIS 87 -17.632 12.752 14.436 680 HA HIS 87 HA HIS 87 -17.577 14.861 15.288 681 1HB HIS 87 2HB HIS 87 -16.421 13.201 17.154 682 2HB HIS 87 1HB HIS 87 -15.211 14.466 16.975 683 HD2 HIS 87 2HD HIS 87 -15.714 16.718 18.355 684 HE1 HIS 87 1HE HIS 87 -19.762 15.876 19.259 685 HE2 HIS 87 2HE HIS 87 -17.881 17.558 19.508 686 H HIS 88 H HIS 88 -15.163 16.216 16.315 687 HA HIS 88 HA HIS 88 -14.269 17.317 13.828 688 1HB HIS 88 2HB HIS 88 -13.018 18.884 15.172 689 2HB HIS 88 1HB HIS 88 -14.607 18.672 15.896 690 HD2 HIS 88 2HD HIS 88 -12.000 19.658 17.658 691 HE1 HIS 88 1HE HIS 88 -12.354 15.797 19.353 692 HE2 HIS 88 2HE HIS 88 -11.235 18.063 19.555 693 H HIS 89 H HIS 89 -12.014 17.511 13.193 694 HA HIS 89 HA HIS 89 -10.151 15.578 14.296 695 1HB HIS 89 2HB HIS 89 -9.730 14.798 11.826 696 2HB HIS 89 1HB HIS 89 -11.008 14.056 12.782 697 HD2 HIS 89 2HD HIS 89 -12.537 13.456 10.561 698 HE1 HIS 89 1HE HIS 89 -13.231 17.488 9.478 699 HE2 HIS 89 2HE HIS 89 -13.758 15.068 8.935 Start of MODEL 4 1 1H MET 1 1HT MET 1 8.997 -26.339 -5.443 2 2H MET 1 2HT MET 1 7.641 -27.350 -5.385 3 3H MET 1 3HT MET 1 8.964 -27.765 -6.355 4 HA MET 1 HA MET 1 8.585 -28.054 -3.489 5 1HB MET 1 2HB MET 1 10.066 -29.525 -5.672 6 2HB MET 1 1HB MET 1 10.090 -30.024 -3.987 7 1HG MET 1 2HG MET 1 7.639 -30.259 -4.055 8 2HG MET 1 1HG MET 1 7.670 -29.846 -5.769 9 1HE MET 1 1HE MET 1 8.161 -32.443 -3.054 10 2HE MET 1 2HE MET 1 9.876 -32.273 -3.428 11 3HE MET 1 3HE MET 1 9.030 -33.770 -3.824 12 H ARG 2 H ARG 2 9.635 -26.323 -2.516 13 HA ARG 2 HA ARG 2 12.475 -26.589 -2.263 14 1HB ARG 2 2HB ARG 2 11.421 -24.677 -4.148 15 2HB ARG 2 1HB ARG 2 12.271 -23.847 -2.851 16 1HG ARG 2 2HG ARG 2 13.574 -26.186 -4.148 17 2HG ARG 2 1HG ARG 2 13.528 -24.646 -5.007 18 1HD ARG 2 2HD ARG 2 14.329 -23.817 -2.567 19 2HD ARG 2 1HD ARG 2 15.033 -25.434 -2.597 20 HE ARG 2 HE ARG 2 16.458 -24.767 -4.300 21 1HH1 ARG 2 1HH1 ARG 2 14.159 -22.254 -3.563 22 2HH1 ARG 2 2HH1 ARG 2 15.009 -21.036 -4.454 23 1HH2 ARG 2 1HH2 ARG 2 17.584 -23.170 -5.475 24 2HH2 ARG 2 2HH2 ARG 2 16.957 -21.557 -5.541 25 H GLY 3 H GLY 3 10.573 -26.913 -0.371 26 1HA GLY 3 2HA GLY 3 11.400 -25.349 1.744 27 2HA GLY 3 1HA GLY 3 9.988 -24.533 1.092 28 H SER 4 H SER 4 11.053 -26.825 3.262 29 HA SER 4 HA SER 4 8.829 -28.618 3.206 30 1HB SER 4 2HB SER 4 9.805 -28.960 5.697 31 2HB SER 4 1HB SER 4 10.546 -29.681 4.268 32 HG SER 4 HG SER 4 11.436 -27.622 5.883 33 H ASN 5 H ASN 5 7.050 -27.147 3.188 34 HA ASN 5 HA ASN 5 6.120 -26.515 5.848 35 1HB ASN 5 2HB ASN 5 7.318 -24.473 4.265 36 2HB ASN 5 1HB ASN 5 5.588 -24.155 4.332 37 1HD2 ASN 5 1HD2 ASN 5 6.758 -22.259 5.474 38 2HD2 ASN 5 2HD2 ASN 5 6.851 -22.389 7.194 39 H ALA 6 H ALA 6 4.380 -27.825 5.595 40 HA ALA 6 HA ALA 6 2.785 -27.868 3.229 41 1HB ALA 6 1HB ALA 6 2.549 -29.877 4.227 42 2HB ALA 6 2HB ALA 6 1.192 -29.072 5.019 43 3HB ALA 6 3HB ALA 6 2.742 -29.216 5.851 44 HA PRO 7 HA PRO 7 -0.372 -25.380 5.911 45 1HB PRO 7 2HB PRO 7 0.558 -24.092 8.103 46 2HB PRO 7 1HB PRO 7 -0.048 -25.751 8.159 47 1HG PRO 7 2HG PRO 7 2.776 -24.768 8.048 48 2HG PRO 7 1HG PRO 7 2.082 -26.070 9.031 49 1HD PRO 7 2HD PRO 7 3.472 -26.530 6.743 50 2HD PRO 7 1HD PRO 7 2.162 -27.587 7.303 51 H GLN 8 H GLN 8 -0.875 -23.484 5.008 52 HA GLN 8 HA GLN 8 1.305 -21.593 4.434 53 1HB GLN 8 2HB GLN 8 -1.015 -22.536 2.907 54 2HB GLN 8 1HB GLN 8 -0.807 -20.791 2.871 55 1HG GLN 8 2HG GLN 8 1.732 -21.967 2.449 56 2HG GLN 8 1HG GLN 8 0.574 -22.783 1.398 57 1HE2 GLN 8 1HE2 GLN 8 1.424 -19.508 2.471 58 2HE2 GLN 8 2HE2 GLN 8 1.229 -18.766 0.923 59 HA PRO 9 HA PRO 9 -0.674 -18.979 7.495 60 1HB PRO 9 2HB PRO 9 0.876 -16.772 7.012 61 2HB PRO 9 1HB PRO 9 1.378 -18.123 8.032 62 1HG PRO 9 2HG PRO 9 2.062 -17.545 5.177 63 2HG PRO 9 1HG PRO 9 3.107 -18.139 6.481 64 1HD PRO 9 2HD PRO 9 2.104 -19.783 4.599 65 2HD PRO 9 1HD PRO 9 2.338 -20.311 6.278 66 H SER 10 H SER 10 0.415 -17.020 4.735 67 HA SER 10 HA SER 10 -2.208 -16.607 3.696 68 1HB SER 10 2HB SER 10 -1.041 -14.588 5.571 69 2HB SER 10 1HB SER 10 -1.983 -14.021 4.193 70 HG SER 10 HG SER 10 -2.969 -14.727 6.429 71 H HIS 11 H HIS 11 -0.678 -17.420 2.014 72 HA HIS 11 HA HIS 11 0.482 -17.114 0.085 73 1HB HIS 11 2HB HIS 11 -0.800 -14.476 0.555 74 2HB HIS 11 1HB HIS 11 0.508 -14.518 -0.623 75 HD2 HIS 11 2HD HIS 11 0.039 -16.500 -2.726 76 HE1 HIS 11 1HE HIS 11 -4.150 -16.125 -2.258 77 HE2 HIS 11 2HE HIS 11 -2.295 -17.129 -3.666 78 H ILE 12 H ILE 12 1.303 -13.905 1.275 79 HA ILE 12 HA ILE 12 4.126 -14.692 1.313 80 HB ILE 12 HB ILE 12 3.677 -12.761 -0.051 81 1HG1 ILE 12 2HG1 ILE 12 4.766 -11.092 2.005 82 2HG1 ILE 12 1HG1 ILE 12 5.420 -12.717 2.197 83 1HG2 ILE 12 1HG2 ILE 12 1.569 -12.072 0.904 84 2HG2 ILE 12 2HG2 ILE 12 2.688 -10.709 0.886 85 3HG2 ILE 12 3HG2 ILE 12 2.374 -11.572 2.391 86 1HD1 ILE 12 1HD1 ILE 12 5.576 -10.967 -0.241 87 2HD1 ILE 12 2HD1 ILE 12 6.066 -12.660 -0.209 88 3HD1 ILE 12 3HD1 ILE 12 6.898 -11.483 0.805 89 H SER 13 H SER 13 5.473 -14.207 3.097 90 HA SER 13 HA SER 13 4.528 -14.774 5.611 91 1HB SER 13 2HB SER 13 6.990 -13.502 4.553 92 2HB SER 13 1HB SER 13 6.660 -13.248 6.267 93 HG SER 13 HG SER 13 6.487 -15.545 6.459 94 H LYS 14 H LYS 14 5.074 -11.569 4.188 95 HA LYS 14 HA LYS 14 2.863 -10.389 5.446 96 1HB LYS 14 2HB LYS 14 4.069 -8.855 7.002 97 2HB LYS 14 1HB LYS 14 4.083 -10.539 7.510 98 1HG LYS 14 2HG LYS 14 6.324 -10.769 7.176 99 2HG LYS 14 1HG LYS 14 6.372 -9.550 5.901 100 1HD LYS 14 2HD LYS 14 5.740 -7.929 7.868 101 2HD LYS 14 1HD LYS 14 6.435 -9.210 8.864 102 1HE LYS 14 2HE LYS 14 8.002 -8.377 6.503 103 2HE LYS 14 1HE LYS 14 7.876 -7.204 7.812 104 1HZ LYS 14 1HZ LYS 14 9.161 -9.839 7.796 105 2HZ LYS 14 2HZ LYS 14 8.504 -9.276 9.248 106 3HZ LYS 14 3HZ LYS 14 9.702 -8.380 8.461 107 H TYR 15 H TYR 15 2.450 -8.351 4.657 108 HA TYR 15 HA TYR 15 4.291 -7.396 2.577 109 1HB TYR 15 2HB TYR 15 1.575 -7.908 2.487 110 2HB TYR 15 1HB TYR 15 1.636 -6.163 2.700 111 HD1 TYR 15 1HD TYR 15 3.812 -5.230 1.125 112 HD2 TYR 15 2HD TYR 15 1.155 -8.449 0.301 113 HE1 TYR 15 1HE TYR 15 4.229 -4.951 -1.283 114 HE2 TYR 15 2HE TYR 15 1.566 -8.182 -2.107 115 HH TYR 15 HH TYR 15 3.434 -7.235 -3.564 116 H ILE 16 H ILE 16 5.096 -5.320 2.628 117 HA ILE 16 HA ILE 16 4.380 -3.718 4.995 118 HB ILE 16 HB ILE 16 7.026 -4.066 3.608 119 1HG1 ILE 16 2HG1 ILE 16 6.408 -5.593 5.470 120 2HG1 ILE 16 1HG1 ILE 16 7.826 -4.612 5.827 121 1HG2 ILE 16 1HG2 ILE 16 7.457 -1.897 3.891 122 2HG2 ILE 16 2HG2 ILE 16 7.455 -2.219 5.624 123 3HG2 ILE 16 3HG2 ILE 16 5.986 -1.650 4.833 124 1HD1 ILE 16 1HD1 ILE 16 6.841 -3.633 7.568 125 2HD1 ILE 16 2HD1 ILE 16 5.678 -4.954 7.467 126 3HD1 ILE 16 3HD1 ILE 16 5.322 -3.405 6.702 127 H LEU 17 H LEU 17 3.594 -1.742 4.659 128 HA LEU 17 HA LEU 17 3.670 -0.690 1.915 129 1HB LEU 17 2HB LEU 17 1.423 -1.048 2.827 130 2HB LEU 17 1HB LEU 17 1.810 -0.043 4.209 131 HG LEU 17 HG LEU 17 2.162 1.859 2.544 132 1HD1 LEU 17 1HD1 LEU 17 1.702 -0.248 0.717 133 2HD1 LEU 17 2HD1 LEU 17 1.985 1.459 0.373 134 3HD1 LEU 17 3HD1 LEU 17 0.339 0.866 0.599 135 1HD2 LEU 17 1HD2 LEU 17 -0.445 0.597 3.257 136 2HD2 LEU 17 2HD2 LEU 17 -0.430 2.014 2.207 137 3HD2 LEU 17 3HD2 LEU 17 0.267 2.107 3.825 138 H ARG 18 H ARG 18 5.219 0.749 1.624 139 HA ARG 18 HA ARG 18 5.807 2.630 3.803 140 1HB ARG 18 2HB ARG 18 8.098 2.640 2.321 141 2HB ARG 18 1HB ARG 18 7.854 1.696 3.784 142 1HG ARG 18 2HG ARG 18 6.845 -0.011 1.980 143 2HG ARG 18 1HG ARG 18 8.023 0.830 0.971 144 1HD ARG 18 2HD ARG 18 8.765 -0.235 3.675 145 2HD ARG 18 1HD ARG 18 8.778 -1.274 2.250 146 HE ARG 18 HE ARG 18 10.379 0.398 1.292 147 1HH1 ARG 18 1HH1 ARG 18 10.030 -0.001 4.737 148 2HH1 ARG 18 2HH1 ARG 18 11.636 0.544 5.091 149 1HH2 ARG 18 1HH2 ARG 18 12.493 1.116 1.751 150 2HH2 ARG 18 2HH2 ARG 18 13.035 1.179 3.394 151 H TRP 19 H TRP 19 5.600 4.718 3.342 152 HA TRP 19 HA TRP 19 5.933 5.654 0.619 153 1HB TRP 19 2HB TRP 19 3.749 6.595 0.365 154 2HB TRP 19 1HB TRP 19 3.551 4.897 0.779 155 HD1 TRP 19 HD TRP 19 2.565 8.323 1.854 156 HE1 TRP 19 1HE TRP 19 1.142 8.203 3.998 157 HE3 TRP 19 3HE TRP 19 3.376 3.431 3.088 158 HZ2 TRP 19 2HZ TRP 19 0.455 6.283 5.950 159 HZ3 TRP 19 3HZ TRP 19 2.299 2.530 5.109 160 HH2 TRP 19 HH TRP 19 0.870 3.927 6.509 161 H ARG 20 H ARG 20 6.207 7.884 0.431 162 HA ARG 20 HA ARG 20 6.164 9.522 2.835 163 1HB ARG 20 2HB ARG 20 8.461 10.114 2.785 164 2HB ARG 20 1HB ARG 20 8.420 8.360 2.685 165 1HG ARG 20 2HG ARG 20 9.241 8.321 0.574 166 2HG ARG 20 1HG ARG 20 8.470 9.844 0.126 167 1HD ARG 20 2HD ARG 20 10.167 11.121 1.025 168 2HD ARG 20 1HD ARG 20 10.678 9.849 2.132 169 HE ARG 20 HE ARG 20 11.844 8.812 0.362 170 1HH1 ARG 20 1HH1 ARG 20 10.356 11.824 -0.564 171 2HH1 ARG 20 2HH1 ARG 20 11.325 12.015 -1.986 172 1HH2 ARG 20 1HH2 ARG 20 13.125 9.054 -1.509 173 2HH2 ARG 20 2HH2 ARG 20 12.899 10.440 -2.524 174 HA PRO 21 HA PRO 21 5.022 12.796 0.108 175 1HB PRO 21 2HB PRO 21 7.162 14.513 1.236 176 2HB PRO 21 1HB PRO 21 5.420 14.785 1.172 177 1HG PRO 21 2HG PRO 21 6.618 14.140 3.467 178 2HG PRO 21 1HG PRO 21 5.013 13.508 3.061 179 1HD PRO 21 2HD PRO 21 7.678 12.157 2.934 180 2HD PRO 21 1HD PRO 21 6.106 11.515 3.452 181 H LYS 22 H LYS 22 5.512 12.543 -1.969 182 HA LYS 22 HA LYS 22 8.056 12.001 -3.002 183 1HB LYS 22 2HB LYS 22 5.710 11.625 -4.028 184 2HB LYS 22 1HB LYS 22 5.877 13.266 -4.635 185 1HG LYS 22 2HG LYS 22 8.128 11.419 -5.146 186 2HG LYS 22 1HG LYS 22 6.623 11.119 -6.020 187 1HD LYS 22 2HD LYS 22 6.744 13.688 -6.506 188 2HD LYS 22 1HD LYS 22 8.458 13.475 -6.141 189 1HE LYS 22 2HE LYS 22 7.608 11.379 -7.883 190 2HE LYS 22 1HE LYS 22 7.096 12.925 -8.557 191 1HZ LYS 22 1HZ LYS 22 9.840 12.045 -7.885 192 2HZ LYS 22 2HZ LYS 22 9.459 13.675 -8.133 193 3HZ LYS 22 3HZ LYS 22 9.239 12.555 -9.382 194 H ASN 23 H ASN 23 6.417 15.046 -2.428 195 HA ASN 23 HA ASN 23 8.552 16.477 -3.830 196 1HB ASN 23 2HB ASN 23 7.126 18.266 -4.067 197 2HB ASN 23 1HB ASN 23 5.969 16.941 -4.038 198 1HD2 ASN 23 1HD2 ASN 23 4.697 16.622 -2.205 199 2HD2 ASN 23 2HD2 ASN 23 4.485 17.857 -1.016 200 H SER 24 H SER 24 7.100 16.176 -0.616 201 HA SER 24 HA SER 24 8.899 18.133 0.513 202 1HB SER 24 2HB SER 24 6.438 17.011 1.276 203 2HB SER 24 1HB SER 24 7.597 16.505 2.504 204 HG SER 24 HG SER 24 6.436 18.840 2.296 205 H VAL 25 H VAL 25 9.292 15.014 -0.435 206 HA VAL 25 HA VAL 25 10.580 13.225 0.236 207 HB VAL 25 HB VAL 25 12.967 13.812 0.367 208 1HG1 VAL 25 1HG1 VAL 25 13.040 15.110 -1.821 209 2HG1 VAL 25 2HG1 VAL 25 11.278 15.138 -1.733 210 3HG1 VAL 25 3HG1 VAL 25 12.133 13.598 -1.817 211 1HG2 VAL 25 1HG2 VAL 25 12.177 16.703 0.147 212 2HG2 VAL 25 2HG2 VAL 25 13.771 16.016 0.462 213 3HG2 VAL 25 3HG2 VAL 25 12.518 15.943 1.702 214 H GLY 26 H GLY 26 9.034 13.963 2.424 215 1HA GLY 26 2HA GLY 26 10.683 14.305 4.754 216 2HA GLY 26 1HA GLY 26 8.960 13.961 4.736 217 H ARG 27 H ARG 27 9.439 12.532 6.533 218 HA ARG 27 HA ARG 27 11.075 10.223 6.151 219 1HB ARG 27 2HB ARG 27 9.176 11.160 8.261 220 2HB ARG 27 1HB ARG 27 9.687 9.478 8.259 221 1HG ARG 27 2HG ARG 27 11.793 11.551 8.051 222 2HG ARG 27 1HG ARG 27 10.986 11.346 9.606 223 1HD ARG 27 2HD ARG 27 12.432 9.229 8.020 224 2HD ARG 27 1HD ARG 27 12.961 9.960 9.534 225 HE ARG 27 HE ARG 27 10.598 8.214 9.273 226 1HH1 ARG 27 1HH1 ARG 27 13.297 9.469 11.083 227 2HH1 ARG 27 2HH1 ARG 27 12.996 8.474 12.468 228 1HH2 ARG 27 1HH2 ARG 27 10.193 6.901 11.090 229 2HH2 ARG 27 2HH2 ARG 27 11.232 7.014 12.472 230 H TRP 28 H TRP 28 10.118 7.986 6.529 231 HA TRP 28 HA TRP 28 7.902 7.635 4.644 232 1HB TRP 28 2HB TRP 28 10.037 5.761 5.659 233 2HB TRP 28 1HB TRP 28 8.669 5.210 4.700 234 HD1 TRP 28 HD TRP 28 11.504 7.850 4.343 235 HE1 TRP 28 1HE TRP 28 12.252 7.865 1.880 236 HE3 TRP 28 3HE TRP 28 8.202 4.427 2.470 237 HZ2 TRP 28 2HZ TRP 28 11.536 6.593 -0.538 238 HZ3 TRP 28 3HZ TRP 28 8.298 3.882 0.073 239 HH2 TRP 28 HH TRP 28 9.931 4.943 -1.398 240 H LYS 29 H LYS 29 6.564 5.583 5.111 241 HA LYS 29 HA LYS 29 5.943 5.303 7.965 242 1HB LYS 29 2HB LYS 29 3.601 5.346 6.160 243 2HB LYS 29 1HB LYS 29 3.768 5.963 7.798 244 1HG LYS 29 2HG LYS 29 5.365 7.607 6.180 245 2HG LYS 29 1HG LYS 29 3.849 7.372 5.309 246 1HD LYS 29 2HD LYS 29 3.362 9.206 6.628 247 2HD LYS 29 1HD LYS 29 2.757 7.875 7.617 248 1HE LYS 29 2HE LYS 29 4.095 8.501 9.273 249 2HE LYS 29 1HE LYS 29 5.498 8.237 8.238 250 1HZ LYS 29 1HZ LYS 29 5.363 10.506 9.155 251 2HZ LYS 29 2HZ LYS 29 3.920 10.750 8.307 252 3HZ LYS 29 3HZ LYS 29 5.361 10.483 7.463 253 H GLU 30 H GLU 30 5.328 3.224 8.538 254 HA GLU 30 HA GLU 30 5.209 1.290 6.317 255 1HB GLU 30 2HB GLU 30 6.590 1.127 8.975 256 2HB GLU 30 1HB GLU 30 6.144 -0.331 8.099 257 1HG GLU 30 2HG GLU 30 7.962 -0.166 6.858 258 2HG GLU 30 1HG GLU 30 7.457 1.427 6.295 259 H ALA 31 H ALA 31 3.624 -0.146 6.248 260 HA ALA 31 HA ALA 31 1.951 -0.643 8.594 261 1HB ALA 31 1HB ALA 31 0.949 1.219 7.193 262 2HB ALA 31 2HB ALA 31 -0.093 -0.171 7.497 263 3HB ALA 31 3HB ALA 31 0.703 0.011 5.933 264 H THR 32 H THR 32 1.928 -2.803 8.832 265 HA THR 32 HA THR 32 2.555 -4.506 6.580 266 HB THR 32 HB THR 32 1.948 -5.293 9.433 267 HG1 THR 32 1HG THR 32 3.836 -4.074 9.360 268 1HG2 THR 32 1HG2 THR 32 3.163 -6.846 7.138 269 2HG2 THR 32 2HG2 THR 32 1.604 -7.152 7.905 270 3HG2 THR 32 3HG2 THR 32 3.098 -7.402 8.811 271 H ILE 33 H ILE 33 1.288 -5.924 5.573 272 HA ILE 33 HA ILE 33 -1.483 -6.276 6.462 273 HB ILE 33 HB ILE 33 -0.928 -6.014 3.530 274 1HG1 ILE 33 2HG1 ILE 33 -1.945 -3.597 4.907 275 2HG1 ILE 33 1HG1 ILE 33 -0.231 -3.938 5.119 276 1HG2 ILE 33 1HG2 ILE 33 -3.104 -6.430 3.459 277 2HG2 ILE 33 2HG2 ILE 33 -3.400 -4.911 4.304 278 3HG2 ILE 33 3HG2 ILE 33 -3.198 -6.404 5.219 279 1HD1 ILE 33 1HD1 ILE 33 0.265 -3.426 2.986 280 2HD1 ILE 33 2HD1 ILE 33 -1.228 -2.494 3.096 281 3HD1 ILE 33 3HD1 ILE 33 -1.241 -4.096 2.360 282 HA PRO 34 HA PRO 34 0.227 -10.433 5.909 283 1HB PRO 34 2HB PRO 34 -2.502 -11.144 6.818 284 2HB PRO 34 1HB PRO 34 -0.937 -11.667 7.445 285 1HG PRO 34 2HG PRO 34 -2.423 -9.915 8.792 286 2HG PRO 34 1HG PRO 34 -0.659 -9.741 8.713 287 1HD PRO 34 2HD PRO 34 -2.778 -8.265 7.196 288 2HD PRO 34 1HD PRO 34 -1.282 -7.649 7.929 289 H GLY 35 H GLY 35 0.218 -10.187 3.590 290 1HA GLY 35 2HA GLY 35 -0.424 -10.771 1.467 291 2HA GLY 35 1HA GLY 35 -1.340 -12.053 2.241 292 H HIS 36 H HIS 36 -2.038 -8.724 2.957 293 HA HIS 36 HA HIS 36 -3.880 -7.436 2.619 294 1HB HIS 36 2HB HIS 36 -3.263 -8.612 0.010 295 2HB HIS 36 1HB HIS 36 -4.950 -8.144 0.176 296 HD2 HIS 36 2HD HIS 36 -4.485 -5.365 1.857 297 HE1 HIS 36 1HE HIS 36 -2.130 -4.324 -1.502 298 HE2 HIS 36 2HE HIS 36 -3.501 -3.430 0.435 299 H LEU 37 H LEU 37 -5.319 -8.120 4.127 300 HA LEU 37 HA LEU 37 -6.770 -10.564 3.885 301 1HB LEU 37 2HB LEU 37 -8.205 -9.362 5.747 302 2HB LEU 37 1HB LEU 37 -6.639 -10.058 6.093 303 HG LEU 37 HG LEU 37 -7.145 -7.780 7.095 304 1HD1 LEU 37 1HD1 LEU 37 -4.716 -7.176 5.719 305 2HD1 LEU 37 2HD1 LEU 37 -4.771 -8.897 6.105 306 3HD1 LEU 37 3HD1 LEU 37 -4.959 -7.698 7.387 307 1HD2 LEU 37 1HD2 LEU 37 -6.259 -6.476 4.611 308 2HD2 LEU 37 2HD2 LEU 37 -7.385 -5.924 5.850 309 3HD2 LEU 37 3HD2 LEU 37 -7.921 -7.065 4.617 310 H ASN 38 H ASN 38 -7.225 -7.368 2.738 311 HA ASN 38 HA ASN 38 -9.359 -8.044 1.061 312 1HB ASN 38 2HB ASN 38 -10.704 -8.121 3.095 313 2HB ASN 38 1HB ASN 38 -10.174 -6.502 3.538 314 1HD2 ASN 38 1HD2 ASN 38 -11.586 -8.151 0.725 315 2HD2 ASN 38 2HD2 ASN 38 -12.766 -6.934 0.391 316 H SER 39 H SER 39 -9.839 -4.964 2.514 317 HA SER 39 HA SER 39 -8.112 -3.702 0.493 318 1HB SER 39 2HB SER 39 -9.813 -2.048 0.029 319 2HB SER 39 1HB SER 39 -10.523 -3.650 -0.176 320 HG SER 39 HG SER 39 -11.979 -2.876 1.139 321 H TYR 40 H TYR 40 -6.665 -2.385 1.363 322 HA TYR 40 HA TYR 40 -7.257 -1.173 3.984 323 1HB TYR 40 2HB TYR 40 -5.329 -2.909 3.713 324 2HB TYR 40 1HB TYR 40 -4.464 -1.577 2.956 325 HD1 TYR 40 1HD TYR 40 -4.588 0.699 4.390 326 HD2 TYR 40 2HD TYR 40 -4.988 -3.233 5.967 327 HE1 TYR 40 1HE TYR 40 -3.916 1.526 6.607 328 HE2 TYR 40 2HE TYR 40 -4.321 -2.416 8.187 329 HH TYR 40 HH TYR 40 -2.982 0.692 8.678 330 H THR 41 H THR 41 -7.938 0.847 3.533 331 HA THR 41 HA THR 41 -6.287 2.471 1.708 332 HB THR 41 HB THR 41 -8.514 2.254 0.808 333 HG1 THR 41 1HG THR 41 -8.649 4.805 1.976 334 1HG2 THR 41 1HG2 THR 41 -10.131 1.786 2.300 335 2HG2 THR 41 2HG2 THR 41 -10.268 3.536 2.471 336 3HG2 THR 41 3HG2 THR 41 -9.290 2.612 3.611 337 H ILE 42 H ILE 42 -5.620 4.493 2.355 338 HA ILE 42 HA ILE 42 -5.624 4.958 5.218 339 HB ILE 42 HB ILE 42 -4.358 6.825 3.247 340 1HG1 ILE 42 2HG1 ILE 42 -2.927 4.373 4.243 341 2HG1 ILE 42 1HG1 ILE 42 -3.849 4.331 2.744 342 1HG2 ILE 42 1HG2 ILE 42 -2.602 6.649 5.197 343 2HG2 ILE 42 2HG2 ILE 42 -3.998 6.066 6.103 344 3HG2 ILE 42 3HG2 ILE 42 -4.037 7.662 5.355 345 1HD1 ILE 42 1HD1 ILE 42 -1.382 4.761 2.525 346 2HD1 ILE 42 2HD1 ILE 42 -1.678 6.337 3.259 347 3HD1 ILE 42 3HD1 ILE 42 -2.440 5.921 1.724 348 H LYS 43 H LYS 43 -6.962 6.319 6.237 349 HA LYS 43 HA LYS 43 -8.617 8.119 4.612 350 1HB LYS 43 2HB LYS 43 -9.865 8.278 6.921 351 2HB LYS 43 1HB LYS 43 -10.106 6.895 5.865 352 1HG LYS 43 2HG LYS 43 -8.232 5.785 7.217 353 2HG LYS 43 1HG LYS 43 -8.510 7.073 8.391 354 1HD LYS 43 2HD LYS 43 -10.622 6.317 8.922 355 2HD LYS 43 1HD LYS 43 -10.834 5.503 7.370 356 1HE LYS 43 2HE LYS 43 -9.016 3.905 8.123 357 2HE LYS 43 1HE LYS 43 -9.191 4.616 9.727 358 1HZ LYS 43 1HZ LYS 43 -11.582 4.010 9.606 359 2HZ LYS 43 2HZ LYS 43 -10.540 2.679 9.623 360 3HZ LYS 43 3HZ LYS 43 -11.262 3.167 8.174 361 H GLY 44 H GLY 44 -9.274 10.198 5.759 362 1HA GLY 44 2HA GLY 44 -8.738 12.159 6.867 363 2HA GLY 44 1HA GLY 44 -7.377 11.329 7.608 364 H LEU 45 H LEU 45 -5.777 12.784 7.245 365 HA LEU 45 HA LEU 45 -4.189 13.979 6.141 366 1HB LEU 45 2HB LEU 45 -4.728 12.433 3.643 367 2HB LEU 45 1HB LEU 45 -3.192 12.962 4.314 368 HG LEU 45 HG LEU 45 -4.603 11.014 5.997 369 1HD1 LEU 45 1HD1 LEU 45 -4.478 9.149 4.639 370 2HD1 LEU 45 2HD1 LEU 45 -3.382 9.929 3.496 371 3HD1 LEU 45 3HD1 LEU 45 -5.087 10.379 3.533 372 1HD2 LEU 45 1HD2 LEU 45 -2.222 11.907 6.192 373 2HD2 LEU 45 2HD2 LEU 45 -1.843 10.859 4.825 374 3HD2 LEU 45 3HD2 LEU 45 -2.442 10.162 6.330 375 H LYS 46 H LYS 46 -3.878 14.862 3.541 376 HA LYS 46 HA LYS 46 -6.378 16.088 2.732 377 1HB LYS 46 2HB LYS 46 -5.512 18.364 2.845 378 2HB LYS 46 1HB LYS 46 -5.516 17.619 4.438 379 1HG LYS 46 2HG LYS 46 -3.270 17.665 4.614 380 2HG LYS 46 1HG LYS 46 -3.023 17.341 2.897 381 1HD LYS 46 2HD LYS 46 -2.971 19.534 2.358 382 2HD LYS 46 1HD LYS 46 -4.219 19.956 3.533 383 1HE LYS 46 2HE LYS 46 -1.621 19.099 4.638 384 2HE LYS 46 1HE LYS 46 -1.630 20.645 3.790 385 1HZ LYS 46 1HZ LYS 46 -2.412 21.522 5.654 386 2HZ LYS 46 2HZ LYS 46 -2.642 20.005 6.368 387 3HZ LYS 46 3HZ LYS 46 -3.858 20.679 5.403 388 HA PRO 47 HA PRO 47 -4.448 15.760 -1.218 389 1HB PRO 47 2HB PRO 47 -6.285 16.968 -2.725 390 2HB PRO 47 1HB PRO 47 -6.645 15.459 -1.875 391 1HG PRO 47 2HG PRO 47 -7.410 18.258 -1.174 392 2HG PRO 47 1HG PRO 47 -8.350 16.764 -1.018 393 1HD PRO 47 2HD PRO 47 -6.945 18.019 1.037 394 2HD PRO 47 1HD PRO 47 -7.506 16.336 1.049 395 H GLY 48 H GLY 48 -3.259 17.817 0.307 396 1HA GLY 48 2HA GLY 48 -3.043 20.006 -1.668 397 2HA GLY 48 1HA GLY 48 -2.712 20.185 0.051 398 H VAL 49 H VAL 49 -1.428 17.423 -0.135 399 HA VAL 49 HA VAL 49 1.146 18.297 -1.277 400 HB VAL 49 HB VAL 49 1.733 18.253 0.926 401 1HG1 VAL 49 1HG1 VAL 49 -0.333 16.105 1.388 402 2HG1 VAL 49 2HG1 VAL 49 -0.478 17.816 1.786 403 3HG1 VAL 49 3HG1 VAL 49 0.693 16.810 2.636 404 1HG2 VAL 49 1HG2 VAL 49 1.972 15.354 1.079 405 2HG2 VAL 49 2HG2 VAL 49 3.226 16.595 1.075 406 3HG2 VAL 49 3HG2 VAL 49 2.559 16.012 -0.450 407 H VAL 50 H VAL 50 2.208 16.891 -2.603 408 HA VAL 50 HA VAL 50 0.758 14.593 -3.554 409 HB VAL 50 HB VAL 50 2.159 16.115 -5.022 410 1HG1 VAL 50 1HG1 VAL 50 4.485 14.467 -4.073 411 2HG1 VAL 50 2HG1 VAL 50 4.121 16.057 -3.404 412 3HG1 VAL 50 3HG1 VAL 50 4.497 15.888 -5.119 413 1HG2 VAL 50 1HG2 VAL 50 1.431 13.551 -5.344 414 2HG2 VAL 50 2HG2 VAL 50 3.180 13.383 -5.490 415 3HG2 VAL 50 3HG2 VAL 50 2.305 14.470 -6.568 416 H TYR 51 H TYR 51 1.406 12.414 -3.412 417 HA TYR 51 HA TYR 51 3.487 11.867 -1.401 418 1HB TYR 51 2HB TYR 51 0.662 11.340 -1.252 419 2HB TYR 51 1HB TYR 51 1.560 9.829 -1.200 420 HD1 TYR 51 1HD TYR 51 0.063 12.112 0.812 421 HD2 TYR 51 2HD TYR 51 3.832 10.186 0.377 422 HE1 TYR 51 1HE TYR 51 0.509 12.469 3.200 423 HE2 TYR 51 2HE TYR 51 4.295 10.540 2.765 424 HH TYR 51 HH TYR 51 3.400 11.140 4.745 425 H GLU 52 H GLU 52 4.618 9.958 -1.583 426 HA GLU 52 HA GLU 52 4.330 8.544 -4.149 427 1HB GLU 52 2HB GLU 52 6.525 8.850 -4.481 428 2HB GLU 52 1HB GLU 52 6.584 9.828 -3.025 429 1HG GLU 52 2HG GLU 52 8.161 8.322 -2.463 430 2HG GLU 52 1HG GLU 52 6.756 7.418 -1.902 431 H GLY 53 H GLY 53 3.873 6.411 -4.056 432 1HA GLY 53 2HA GLY 53 3.932 5.166 -1.381 433 2HA GLY 53 1HA GLY 53 2.744 4.793 -2.614 434 H GLN 54 H GLN 54 4.883 3.278 -1.034 435 HA GLN 54 HA GLN 54 5.859 1.726 -3.331 436 1HB GLN 54 2HB GLN 54 7.455 2.741 -0.994 437 2HB GLN 54 1HB GLN 54 7.937 1.278 -1.842 438 1HG GLN 54 2HG GLN 54 7.386 3.448 -3.674 439 2HG GLN 54 1HG GLN 54 8.621 3.877 -2.491 440 1HE2 GLN 54 1HE2 GLN 54 7.837 0.796 -4.051 441 2HE2 GLN 54 2HE2 GLN 54 9.400 0.552 -4.748 442 H LEU 55 H LEU 55 5.239 -0.341 -3.185 443 HA LEU 55 HA LEU 55 4.475 -1.365 -0.536 444 1HB LEU 55 2HB LEU 55 3.268 -1.550 -3.168 445 2HB LEU 55 1HB LEU 55 3.497 -3.133 -2.452 446 HG LEU 55 HG LEU 55 1.965 -0.836 -1.227 447 1HD1 LEU 55 1HD1 LEU 55 0.214 -2.864 -1.453 448 2HD1 LEU 55 2HD1 LEU 55 1.223 -3.169 -2.866 449 3HD1 LEU 55 3HD1 LEU 55 0.422 -1.610 -2.675 450 1HD2 LEU 55 1HD2 LEU 55 1.779 -1.976 0.708 451 2HD2 LEU 55 2HD2 LEU 55 3.297 -2.709 0.185 452 3HD2 LEU 55 3HD2 LEU 55 1.770 -3.548 -0.093 453 H ILE 56 H ILE 56 6.062 -2.516 0.338 454 HA ILE 56 HA ILE 56 7.621 -4.323 -1.392 455 HB ILE 56 HB ILE 56 8.395 -3.262 1.321 456 1HG1 ILE 56 2HG1 ILE 56 8.302 -1.779 -0.960 457 2HG1 ILE 56 1HG1 ILE 56 9.406 -1.486 0.372 458 1HG2 ILE 56 1HG2 ILE 56 10.683 -4.008 0.332 459 2HG2 ILE 56 2HG2 ILE 56 9.678 -5.066 -0.659 460 3HG2 ILE 56 3HG2 ILE 56 9.617 -5.183 1.102 461 1HD1 ILE 56 1HD1 ILE 56 11.178 -2.571 -0.769 462 2HD1 ILE 56 2HD1 ILE 56 10.426 -1.451 -1.905 463 3HD1 ILE 56 3HD1 ILE 56 10.085 -3.179 -2.013 464 H SER 57 H SER 57 7.144 -6.391 -1.195 465 HA SER 57 HA SER 57 5.851 -7.396 1.221 466 1HB SER 57 2HB SER 57 5.276 -7.810 -1.417 467 2HB SER 57 1HB SER 57 6.257 -9.226 -1.047 468 HG SER 57 HG SER 57 3.998 -9.533 -0.640 469 H ILE 58 H ILE 58 6.838 -8.796 2.572 470 HA ILE 58 HA ILE 58 9.538 -9.692 1.823 471 HB ILE 58 HB ILE 58 8.459 -9.141 4.585 472 1HG1 ILE 58 2HG1 ILE 58 10.260 -7.645 2.696 473 2HG1 ILE 58 1HG1 ILE 58 8.853 -7.058 3.571 474 1HG2 ILE 58 1HG2 ILE 58 10.644 -9.658 5.409 475 2HG2 ILE 58 2HG2 ILE 58 11.262 -9.883 3.773 476 3HG2 ILE 58 3HG2 ILE 58 10.092 -11.023 4.437 477 1HD1 ILE 58 1HD1 ILE 58 10.638 -6.067 4.666 478 2HD1 ILE 58 2HD1 ILE 58 11.625 -7.526 4.584 479 3HD1 ILE 58 3HD1 ILE 58 10.250 -7.452 5.686 480 H GLN 59 H GLN 59 9.923 -11.771 1.695 481 HA GLN 59 HA GLN 59 7.856 -13.660 2.504 482 1HB GLN 59 2HB GLN 59 9.878 -13.506 0.418 483 2HB GLN 59 1HB GLN 59 9.880 -15.066 1.230 484 1HG GLN 59 2HG GLN 59 7.475 -13.760 -0.015 485 2HG GLN 59 1HG GLN 59 8.444 -15.033 -0.756 486 1HE2 GLN 59 1HE2 GLN 59 8.524 -17.098 0.339 487 2HE2 GLN 59 2HE2 GLN 59 7.162 -17.621 1.264 488 H GLN 60 H GLN 60 9.073 -15.940 3.017 489 HA GLN 60 HA GLN 60 10.147 -15.579 5.622 490 1HB GLN 60 2HB GLN 60 10.750 -18.187 4.978 491 2HB GLN 60 1HB GLN 60 9.255 -17.633 5.715 492 1HG GLN 60 2HG GLN 60 8.437 -17.301 3.301 493 2HG GLN 60 1HG GLN 60 9.799 -18.327 2.857 494 1HE2 GLN 60 1HE2 GLN 60 7.769 -18.524 5.728 495 2HE2 GLN 60 2HE2 GLN 60 7.123 -20.090 5.388 496 H TYR 61 H TYR 61 11.560 -16.119 2.467 497 HA TYR 61 HA TYR 61 14.230 -16.332 3.663 498 1HB TYR 61 2HB TYR 61 14.131 -16.487 0.754 499 2HB TYR 61 1HB TYR 61 14.813 -17.620 1.915 500 HD1 TYR 61 1HD TYR 61 12.181 -17.023 -0.409 501 HD2 TYR 61 2HD TYR 61 13.169 -19.208 3.107 502 HE1 TYR 61 1HE TYR 61 10.345 -18.591 -0.874 503 HE2 TYR 61 2HE TYR 61 11.335 -20.780 2.651 504 HH TYR 61 HH TYR 61 9.589 -21.248 1.354 505 H GLY 62 H GLY 62 12.408 -13.876 3.193 506 1HA GLY 62 2HA GLY 62 13.528 -11.685 3.245 507 2HA GLY 62 1HA GLY 62 14.496 -12.240 1.887 508 H HIS 63 H HIS 63 13.039 -9.846 1.849 509 HA HIS 63 HA HIS 63 10.498 -10.045 0.688 510 1HB HIS 63 2HB HIS 63 11.017 -7.745 -0.229 511 2HB HIS 63 1HB HIS 63 11.162 -7.927 1.515 512 HD2 HIS 63 2HD HIS 63 12.949 -5.755 1.524 513 HE1 HIS 63 1HE HIS 63 16.048 -7.917 -0.383 514 HE2 HIS 63 2HE HIS 63 15.420 -5.730 0.736 515 H GLN 64 H GLN 64 9.938 -9.433 -1.579 516 HA GLN 64 HA GLN 64 11.849 -9.867 -3.656 517 1HB GLN 64 2HB GLN 64 10.312 -11.927 -4.441 518 2HB GLN 64 1HB GLN 64 11.786 -12.128 -3.505 519 1HG GLN 64 2HG GLN 64 10.251 -11.960 -1.447 520 2HG GLN 64 1HG GLN 64 8.946 -12.277 -2.586 521 1HE2 GLN 64 1HE2 GLN 64 11.715 -13.573 -0.989 522 2HE2 GLN 64 2HE2 GLN 64 11.445 -15.217 -1.429 523 H GLU 65 H GLU 65 9.164 -8.451 -2.584 524 HA GLU 65 HA GLU 65 8.161 -8.030 -5.310 525 1HB GLU 65 2HB GLU 65 6.770 -9.497 -3.410 526 2HB GLU 65 1HB GLU 65 6.039 -7.901 -3.321 527 1HG GLU 65 2HG GLU 65 4.743 -8.688 -4.970 528 2HG GLU 65 1HG GLU 65 6.107 -8.234 -5.989 529 H VAL 66 H VAL 66 8.393 -5.950 -5.774 530 HA VAL 66 HA VAL 66 7.636 -3.978 -3.740 531 HB VAL 66 HB VAL 66 9.946 -3.860 -3.510 532 1HG1 VAL 66 1HG1 VAL 66 11.551 -3.999 -5.283 533 2HG1 VAL 66 2HG1 VAL 66 10.275 -3.962 -6.499 534 3HG1 VAL 66 3HG1 VAL 66 10.426 -5.352 -5.422 535 1HG2 VAL 66 1HG2 VAL 66 9.008 -1.803 -5.486 536 2HG2 VAL 66 2HG2 VAL 66 10.638 -1.766 -4.814 537 3HG2 VAL 66 3HG2 VAL 66 9.240 -1.643 -3.743 538 H THR 67 H THR 67 6.554 -2.212 -4.501 539 HA THR 67 HA THR 67 6.356 -1.853 -7.408 540 HB THR 67 HB THR 67 3.904 -1.712 -5.662 541 HG1 THR 67 1HG THR 67 4.359 -3.907 -7.354 542 1HG2 THR 67 1HG2 THR 67 2.763 -1.298 -7.564 543 2HG2 THR 67 2HG2 THR 67 3.742 -2.414 -8.516 544 3HG2 THR 67 3HG2 THR 67 4.335 -0.788 -8.178 545 H ARG 68 H ARG 68 6.291 0.229 -8.068 546 HA ARG 68 HA ARG 68 6.199 2.287 -5.963 547 1HB ARG 68 2HB ARG 68 7.402 2.757 -8.668 548 2HB ARG 68 1HB ARG 68 7.736 3.577 -7.152 549 1HG ARG 68 2HG ARG 68 9.057 1.819 -6.355 550 2HG ARG 68 1HG ARG 68 8.438 0.693 -7.565 551 1HD ARG 68 2HD ARG 68 9.674 3.034 -8.758 552 2HD ARG 68 1HD ARG 68 10.786 2.149 -7.715 553 HE ARG 68 HE ARG 68 9.953 0.140 -9.112 554 1HH1 ARG 68 1HH1 ARG 68 10.455 3.381 -10.293 555 2HH1 ARG 68 2HH1 ARG 68 10.821 2.873 -11.907 556 1HH2 ARG 68 1HH2 ARG 68 10.434 -0.535 -11.233 557 2HH2 ARG 68 2HH2 ARG 68 10.808 0.646 -12.443 558 H PHE 69 H PHE 69 4.659 3.771 -6.031 559 HA PHE 69 HA PHE 69 3.371 4.552 -8.491 560 1HB PHE 69 2HB PHE 69 1.069 4.040 -7.517 561 2HB PHE 69 1HB PHE 69 1.993 2.669 -8.119 562 HD1 PHE 69 1HD PHE 69 3.098 1.131 -6.518 563 HD2 PHE 69 2HD PHE 69 0.450 4.208 -5.238 564 HE1 PHE 69 1HE PHE 69 2.842 0.003 -4.346 565 HE2 PHE 69 2HE PHE 69 0.192 3.087 -3.063 566 HZ PHE 69 HZ PHE 69 1.390 0.982 -2.615 567 H ASP 70 H ASP 70 2.897 6.653 -8.396 568 HA ASP 70 HA ASP 70 3.009 7.970 -5.788 569 1HB ASP 70 2HB ASP 70 2.878 10.061 -7.383 570 2HB ASP 70 1HB ASP 70 4.385 9.168 -7.212 571 H PHE 71 H PHE 71 1.285 8.875 -4.831 572 HA PHE 71 HA PHE 71 -1.174 9.187 -6.395 573 1HB PHE 71 2HB PHE 71 -2.509 8.104 -4.690 574 2HB PHE 71 1HB PHE 71 -1.246 7.003 -5.236 575 HD1 PHE 71 1HD PHE 71 -2.784 8.540 -2.430 576 HD2 PHE 71 2HD PHE 71 0.878 6.859 -3.799 577 HE1 PHE 71 1HE PHE 71 -2.069 8.210 -0.099 578 HE2 PHE 71 2HE PHE 71 1.599 6.525 -1.471 579 HZ PHE 71 HZ PHE 71 0.125 7.199 0.383 580 H THR 72 H THR 72 -2.657 10.704 -5.597 581 HA THR 72 HA THR 72 -1.460 12.652 -3.749 582 HB THR 72 HB THR 72 -3.092 14.274 -4.824 583 HG1 THR 72 1HG THR 72 -3.756 11.975 -6.132 584 1HG2 THR 72 1HG2 THR 72 -1.045 13.043 -6.672 585 2HG2 THR 72 2HG2 THR 72 -0.662 14.152 -5.355 586 3HG2 THR 72 3HG2 THR 72 -1.650 14.698 -6.711 587 H THR 73 H THR 73 -3.079 14.033 -2.604 588 HA THR 73 HA THR 73 -4.953 14.390 -1.340 589 HB THR 73 HB THR 73 -5.877 11.625 -2.129 590 HG1 THR 73 1HG THR 73 -7.076 12.648 -3.649 591 1HG2 THR 73 1HG2 THR 73 -6.640 12.782 0.100 592 2HG2 THR 73 2HG2 THR 73 -7.827 12.000 -0.951 593 3HG2 THR 73 3HG2 THR 73 -7.637 13.754 -0.987 594 H THR 74 H THR 74 -2.929 14.167 0.046 595 HA THR 74 HA THR 74 -3.594 13.038 2.460 596 HB THR 74 HB THR 74 -3.357 10.831 1.911 597 HG1 THR 74 1HG THR 74 -1.583 11.690 3.441 598 1HG2 THR 74 1HG2 THR 74 -1.675 11.873 -0.225 599 2HG2 THR 74 2HG2 THR 74 -2.729 10.460 -0.199 600 3HG2 THR 74 3HG2 THR 74 -1.088 10.346 0.440 601 H SER 75 H SER 75 -2.116 13.491 4.096 602 HA SER 75 HA SER 75 0.327 14.901 3.257 603 1HB SER 75 2HB SER 75 -1.555 16.401 4.051 604 2HB SER 75 1HB SER 75 -1.371 15.657 5.640 605 HG SER 75 HG SER 75 0.626 16.536 5.830 606 H THR 76 H THR 76 1.700 15.313 5.398 607 HA THR 76 HA THR 76 2.466 12.701 6.295 608 HB THR 76 HB THR 76 4.360 13.962 6.104 609 HG1 THR 76 1HG THR 76 4.411 14.992 8.547 610 1HG2 THR 76 1HG2 THR 76 3.268 16.065 5.550 611 2HG2 THR 76 2HG2 THR 76 4.551 16.339 6.729 612 3HG2 THR 76 3HG2 THR 76 2.865 16.325 7.248 613 H SER 77 H SER 77 1.698 15.631 8.192 614 HA SER 77 HA SER 77 0.047 14.042 9.980 615 1HB SER 77 2HB SER 77 1.262 14.645 11.989 616 2HB SER 77 1HB SER 77 2.367 13.843 10.873 617 HG SER 77 HG SER 77 2.359 16.440 11.795 618 H THR 78 H THR 78 -1.618 15.172 10.775 619 HA THR 78 HA THR 78 -1.478 18.097 10.829 620 HB THR 78 HB THR 78 -3.859 18.131 9.898 621 HG1 THR 78 1HG THR 78 -3.218 15.461 9.639 622 1HG2 THR 78 1HG2 THR 78 -3.064 18.063 7.551 623 2HG2 THR 78 2HG2 THR 78 -1.554 17.345 8.112 624 3HG2 THR 78 3HG2 THR 78 -1.994 18.978 8.612 625 HA PRO 79 HA PRO 79 -3.215 16.076 14.722 626 1HB PRO 79 2HB PRO 79 -1.770 18.464 15.769 627 2HB PRO 79 1HB PRO 79 -1.833 16.818 16.408 628 1HG PRO 79 2HG PRO 79 0.336 17.675 15.142 629 2HG PRO 79 1HG PRO 79 -0.267 16.027 14.881 630 1HD PRO 79 2HD PRO 79 -0.512 18.437 13.126 631 2HD PRO 79 1HD PRO 79 -0.228 16.741 12.681 632 H GLY 80 H GLY 80 -2.764 19.553 15.128 633 1HA GLY 80 2HA GLY 80 -4.866 20.858 14.282 634 2HA GLY 80 1HA GLY 80 -5.666 19.821 15.454 635 H SER 81 H SER 81 -6.337 21.617 16.675 636 HA SER 81 HA SER 81 -4.174 23.043 18.073 637 1HB SER 81 2HB SER 81 -6.665 23.949 16.901 638 2HB SER 81 1HB SER 81 -6.572 24.382 18.607 639 HG SER 81 HG SER 81 -5.585 25.841 16.920 640 H ARG 82 H ARG 82 -7.577 22.208 18.757 641 HA ARG 82 HA ARG 82 -6.784 20.758 21.137 642 1HB ARG 82 2HB ARG 82 -7.916 23.476 21.217 643 2HB ARG 82 1HB ARG 82 -8.718 22.313 22.263 644 1HG ARG 82 2HG ARG 82 -6.866 22.015 23.585 645 2HG ARG 82 1HG ARG 82 -5.746 22.499 22.311 646 1HD ARG 82 2HD ARG 82 -5.645 24.457 23.383 647 2HD ARG 82 1HD ARG 82 -7.233 24.768 22.684 648 HE ARG 82 HE ARG 82 -8.021 23.615 24.867 649 1HH1 ARG 82 1HH1 ARG 82 -5.296 25.761 24.525 650 2HH1 ARG 82 2HH1 ARG 82 -5.377 26.332 26.159 651 1HH2 ARG 82 1HH2 ARG 82 -8.136 24.364 27.018 652 2HH2 ARG 82 2HH2 ARG 82 -6.990 25.538 27.575 653 H SER 83 H SER 83 -7.859 18.925 20.818 654 HA SER 83 HA SER 83 -10.479 18.935 19.565 655 1HB SER 83 2HB SER 83 -9.625 16.340 20.522 656 2HB SER 83 1HB SER 83 -9.914 16.879 18.868 657 HG SER 83 HG SER 83 -7.838 17.299 18.623 658 H HIS 84 H HIS 84 -9.201 17.243 22.431 659 HA HIS 84 HA HIS 84 -11.702 17.913 23.831 660 1HB HIS 84 2HB HIS 84 -10.369 15.367 24.553 661 2HB HIS 84 1HB HIS 84 -12.084 15.758 24.467 662 HD2 HIS 84 2HD HIS 84 -13.151 15.700 21.793 663 HE1 HIS 84 1HE HIS 84 -10.049 13.164 20.431 664 HE2 HIS 84 2HE HIS 84 -12.423 13.953 20.019 665 H HIS 85 H HIS 85 -11.255 19.198 25.480 666 HA HIS 85 HA HIS 85 -9.204 18.487 27.382 667 1HB HIS 85 2HB HIS 85 -8.696 20.468 25.351 668 2HB HIS 85 1HB HIS 85 -8.688 21.222 26.942 669 HD2 HIS 85 2HD HIS 85 -5.859 21.461 26.220 670 HE1 HIS 85 1HE HIS 85 -5.131 17.474 27.445 671 HE2 HIS 85 2HE HIS 85 -4.084 19.744 27.017 672 H HIS 86 H HIS 86 -9.109 21.112 28.579 673 HA HIS 86 HA HIS 86 -11.592 20.994 30.036 674 1HB HIS 86 2HB HIS 86 -8.988 22.404 30.344 675 2HB HIS 86 1HB HIS 86 -10.393 23.116 31.129 676 HD2 HIS 86 2HD HIS 86 -11.697 21.306 32.985 677 HE1 HIS 86 1HE HIS 86 -8.121 19.115 33.560 678 HE2 HIS 86 2HE HIS 86 -10.384 19.700 34.543 679 H HIS 87 H HIS 87 -11.164 22.116 27.138 680 HA HIS 87 HA HIS 87 -12.074 23.726 25.816 681 1HB HIS 87 2HB HIS 87 -14.049 22.887 27.555 682 2HB HIS 87 1HB HIS 87 -14.101 24.639 27.719 683 HD2 HIS 87 2HD HIS 87 -15.024 21.865 25.211 684 HE1 HIS 87 1HE HIS 87 -15.997 25.606 23.490 685 HE2 HIS 87 2HE HIS 87 -16.058 23.091 23.172 686 H HIS 88 H HIS 88 -10.100 24.964 26.187 687 HA HIS 88 HA HIS 88 -8.961 26.882 26.622 688 1HB HIS 88 2HB HIS 88 -11.290 27.663 25.586 689 2HB HIS 88 1HB HIS 88 -11.471 28.385 27.182 690 HD2 HIS 88 2HD HIS 88 -10.609 29.726 24.022 691 HE1 HIS 88 1HE HIS 88 -7.597 31.327 26.527 692 HE2 HIS 88 2HE HIS 88 -8.872 31.623 24.355 693 H HIS 89 H HIS 89 -8.349 25.722 28.646 694 HA HIS 89 HA HIS 89 -9.608 26.447 31.108 695 1HB HIS 89 2HB HIS 89 -8.274 24.339 30.706 696 2HB HIS 89 1HB HIS 89 -6.822 25.333 30.743 697 HD2 HIS 89 2HD HIS 89 -5.772 25.692 33.187 698 HE1 HIS 89 1HE HIS 89 -9.154 24.439 35.404 699 HE2 HIS 89 2HE HIS 89 -6.790 25.347 35.548 Start of MODEL 5 1 1H MET 1 1HT MET 1 -5.471 -21.438 -18.566 2 2H MET 1 2HT MET 1 -6.064 -22.695 -19.530 3 3H MET 1 3HT MET 1 -4.428 -22.660 -19.099 4 HA MET 1 HA MET 1 -6.730 -23.075 -17.280 5 1HB MET 1 2HB MET 1 -5.799 -24.906 -18.899 6 2HB MET 1 1HB MET 1 -4.460 -24.977 -17.762 7 1HG MET 1 2HG MET 1 -5.712 -26.524 -16.746 8 2HG MET 1 1HG MET 1 -6.558 -25.134 -16.069 9 1HE MET 1 1HE MET 1 -8.359 -24.052 -16.904 10 2HE MET 1 2HE MET 1 -9.745 -25.138 -16.814 11 3HE MET 1 3HE MET 1 -9.287 -24.418 -18.358 12 H ARG 2 H ARG 2 -5.037 -20.904 -16.837 13 HA ARG 2 HA ARG 2 -3.248 -21.855 -14.703 14 1HB ARG 2 2HB ARG 2 -3.190 -19.481 -16.510 15 2HB ARG 2 1HB ARG 2 -2.490 -19.324 -14.905 16 1HG ARG 2 2HG ARG 2 -1.133 -21.393 -15.447 17 2HG ARG 2 1HG ARG 2 -1.671 -21.183 -17.115 18 1HD ARG 2 2HD ARG 2 0.563 -20.176 -16.582 19 2HD ARG 2 1HD ARG 2 -0.613 -19.061 -17.276 20 HE ARG 2 HE ARG 2 -0.600 -19.040 -14.410 21 1HH1 ARG 2 1HH1 ARG 2 0.945 -17.781 -17.268 22 2HH1 ARG 2 2HH1 ARG 2 1.518 -16.347 -16.483 23 1HH2 ARG 2 1HH2 ARG 2 0.151 -17.156 -13.367 24 2HH2 ARG 2 2HH2 ARG 2 1.067 -15.991 -14.265 25 H GLY 3 H GLY 3 -5.247 -22.141 -13.412 26 1HA GLY 3 2HA GLY 3 -6.363 -19.610 -12.416 27 2HA GLY 3 1HA GLY 3 -7.085 -21.199 -12.206 28 H SER 4 H SER 4 -6.418 -22.516 -10.527 29 HA SER 4 HA SER 4 -5.122 -21.122 -8.340 30 1HB SER 4 2HB SER 4 -6.407 -23.858 -8.493 31 2HB SER 4 1HB SER 4 -5.755 -23.140 -7.021 32 HG SER 4 HG SER 4 -8.163 -22.868 -7.887 33 H ASN 5 H ASN 5 -4.698 -24.282 -9.937 34 HA ASN 5 HA ASN 5 -2.877 -25.600 -10.267 35 1HB ASN 5 2HB ASN 5 -1.495 -22.920 -10.071 36 2HB ASN 5 1HB ASN 5 -0.650 -24.411 -10.475 37 1HD2 ASN 5 1HD2 ASN 5 -0.655 -25.089 -12.516 38 2HD2 ASN 5 2HD2 ASN 5 -1.577 -24.386 -13.797 39 H ALA 6 H ALA 6 -3.755 -24.582 -7.449 40 HA ALA 6 HA ALA 6 -2.044 -26.292 -5.974 41 1HB ALA 6 1HB ALA 6 -0.861 -23.878 -6.380 42 2HB ALA 6 2HB ALA 6 -0.537 -24.936 -5.007 43 3HB ALA 6 3HB ALA 6 -1.687 -23.609 -4.845 44 HA PRO 7 HA PRO 7 -5.738 -25.995 -3.519 45 1HB PRO 7 2HB PRO 7 -5.067 -27.689 -1.540 46 2HB PRO 7 1HB PRO 7 -5.424 -28.255 -3.177 47 1HG PRO 7 2HG PRO 7 -2.780 -27.846 -1.846 48 2HG PRO 7 1HG PRO 7 -3.305 -29.154 -2.923 49 1HD PRO 7 2HD PRO 7 -1.783 -27.005 -3.722 50 2HD PRO 7 1HD PRO 7 -2.819 -27.954 -4.806 51 H GLN 8 H GLN 8 -6.456 -24.681 -1.954 52 HA GLN 8 HA GLN 8 -6.516 -23.201 -0.240 53 1HB GLN 8 2HB GLN 8 -3.994 -24.519 0.770 54 2HB GLN 8 1HB GLN 8 -5.155 -23.585 1.704 55 1HG GLN 8 2HG GLN 8 -5.565 -26.292 0.462 56 2HG GLN 8 1HG GLN 8 -5.487 -25.896 2.179 57 1HE2 GLN 8 1HE2 GLN 8 -7.584 -27.132 0.406 58 2HE2 GLN 8 2HE2 GLN 8 -9.019 -26.230 0.744 59 HA PRO 9 HA PRO 9 -3.893 -19.939 -1.688 60 1HB PRO 9 2HB PRO 9 -4.641 -17.984 0.014 61 2HB PRO 9 1HB PRO 9 -5.702 -18.570 -1.274 62 1HG PRO 9 2HG PRO 9 -5.703 -19.259 1.640 63 2HG PRO 9 1HG PRO 9 -7.075 -18.907 0.573 64 1HD PRO 9 2HD PRO 9 -6.327 -21.436 1.250 65 2HD PRO 9 1HD PRO 9 -7.107 -21.036 -0.294 66 H SER 10 H SER 10 -1.989 -18.877 -1.178 67 HA SER 10 HA SER 10 -0.884 -19.360 1.506 68 1HB SER 10 2HB SER 10 0.864 -19.435 -0.937 69 2HB SER 10 1HB SER 10 1.162 -20.119 0.661 70 HG SER 10 HG SER 10 0.365 -21.897 -0.095 71 H HIS 11 H HIS 11 -1.616 -17.158 1.883 72 HA HIS 11 HA HIS 11 -0.714 -14.936 0.425 73 1HB HIS 11 2HB HIS 11 -1.547 -15.200 3.320 74 2HB HIS 11 1HB HIS 11 -1.225 -13.658 2.536 75 HD2 HIS 11 2HD HIS 11 -3.651 -16.700 1.830 76 HE1 HIS 11 1HE HIS 11 -5.545 -13.042 0.862 77 HE2 HIS 11 2HE HIS 11 -5.759 -15.567 0.827 78 H ILE 12 H ILE 12 0.888 -13.353 1.002 79 HA ILE 12 HA ILE 12 3.415 -14.493 1.581 80 HB ILE 12 HB ILE 12 3.348 -12.597 0.130 81 1HG1 ILE 12 2HG1 ILE 12 4.542 -11.010 2.220 82 2HG1 ILE 12 1HG1 ILE 12 4.988 -12.702 2.424 83 1HG2 ILE 12 1HG2 ILE 12 1.793 -11.356 2.340 84 2HG2 ILE 12 2HG2 ILE 12 1.495 -11.344 0.602 85 3HG2 ILE 12 3HG2 ILE 12 2.753 -10.316 1.288 86 1HD1 ILE 12 1HD1 ILE 12 6.583 -11.384 1.063 87 2HD1 ILE 12 2HD1 ILE 12 5.313 -11.173 -0.143 88 3HD1 ILE 12 3HD1 ILE 12 5.919 -12.787 0.227 89 H SER 13 H SER 13 4.806 -14.126 3.347 90 HA SER 13 HA SER 13 3.769 -14.434 5.872 91 1HB SER 13 2HB SER 13 6.197 -14.717 5.048 92 2HB SER 13 1HB SER 13 6.382 -13.004 5.423 93 HG SER 13 HG SER 13 5.585 -13.585 7.573 94 H LYS 14 H LYS 14 4.897 -11.405 4.371 95 HA LYS 14 HA LYS 14 2.916 -9.860 5.688 96 1HB LYS 14 2HB LYS 14 4.562 -8.457 7.021 97 2HB LYS 14 1HB LYS 14 4.191 -10.049 7.670 98 1HG LYS 14 2HG LYS 14 6.271 -10.921 7.015 99 2HG LYS 14 1HG LYS 14 6.598 -9.554 5.950 100 1HD LYS 14 2HD LYS 14 6.136 -8.774 8.724 101 2HD LYS 14 1HD LYS 14 7.524 -9.846 8.521 102 1HE LYS 14 2HE LYS 14 8.552 -8.360 6.979 103 2HE LYS 14 1HE LYS 14 7.089 -7.385 6.845 104 1HZ LYS 14 1HZ LYS 14 8.230 -6.116 8.307 105 2HZ LYS 14 2HZ LYS 14 9.120 -7.409 8.937 106 3HZ LYS 14 3HZ LYS 14 7.522 -7.163 9.431 107 H TYR 15 H TYR 15 2.741 -7.819 4.865 108 HA TYR 15 HA TYR 15 4.523 -7.156 2.621 109 1HB TYR 15 2HB TYR 15 1.719 -7.247 2.852 110 2HB TYR 15 1HB TYR 15 2.125 -5.538 2.814 111 HD1 TYR 15 1HD TYR 15 4.133 -5.128 0.926 112 HD2 TYR 15 2HD TYR 15 1.070 -8.078 0.823 113 HE1 TYR 15 1HE TYR 15 4.320 -5.229 -1.524 114 HE2 TYR 15 2HE TYR 15 1.250 -8.191 -1.626 115 HH TYR 15 HH TYR 15 3.424 -7.541 -3.343 116 H ILE 16 H ILE 16 5.592 -5.169 2.578 117 HA ILE 16 HA ILE 16 5.207 -3.484 4.968 118 HB ILE 16 HB ILE 16 7.717 -3.943 3.353 119 1HG1 ILE 16 2HG1 ILE 16 7.133 -5.634 5.096 120 2HG1 ILE 16 1HG1 ILE 16 8.642 -4.789 5.422 121 1HG2 ILE 16 1HG2 ILE 16 7.704 -1.614 3.800 122 2HG2 ILE 16 2HG2 ILE 16 8.753 -2.339 5.019 123 3HG2 ILE 16 3HG2 ILE 16 7.110 -1.857 5.444 124 1HD1 ILE 16 1HD1 ILE 16 6.032 -3.978 6.663 125 2HD1 ILE 16 2HD1 ILE 16 7.664 -3.511 7.141 126 3HD1 ILE 16 3HD1 ILE 16 7.112 -5.169 7.387 127 H LEU 17 H LEU 17 4.256 -1.622 4.557 128 HA LEU 17 HA LEU 17 4.493 -0.495 1.855 129 1HB LEU 17 2HB LEU 17 2.207 -0.892 2.504 130 2HB LEU 17 1HB LEU 17 2.446 -0.070 4.033 131 HG LEU 17 HG LEU 17 2.841 2.049 2.724 132 1HD1 LEU 17 1HD1 LEU 17 2.901 2.060 0.507 133 2HD1 LEU 17 2HD1 LEU 17 1.374 1.183 0.403 134 3HD1 LEU 17 3HD1 LEU 17 2.892 0.298 0.559 135 1HD2 LEU 17 1HD2 LEU 17 0.364 2.252 2.102 136 2HD2 LEU 17 2HD2 LEU 17 0.763 1.886 3.780 137 3HD2 LEU 17 3HD2 LEU 17 0.215 0.600 2.704 138 H ARG 18 H ARG 18 5.988 1.008 1.679 139 HA ARG 18 HA ARG 18 6.406 2.851 3.929 140 1HB ARG 18 2HB ARG 18 8.525 2.309 1.880 141 2HB ARG 18 1HB ARG 18 8.703 2.918 3.521 142 1HG ARG 18 2HG ARG 18 9.224 0.871 4.168 143 2HG ARG 18 1HG ARG 18 7.581 0.362 3.768 144 1HD ARG 18 2HD ARG 18 9.349 -1.001 2.675 145 2HD ARG 18 1HD ARG 18 8.241 -0.228 1.542 146 HE ARG 18 HE ARG 18 9.970 1.330 0.991 147 1HH1 ARG 18 1HH1 ARG 18 10.987 -1.328 3.005 148 2HH1 ARG 18 2HH1 ARG 18 12.665 -1.144 2.618 149 1HH2 ARG 18 1HH2 ARG 18 12.174 1.573 0.475 150 2HH2 ARG 18 2HH2 ARG 18 13.340 0.504 1.180 151 H TRP 19 H TRP 19 6.056 4.955 3.518 152 HA TRP 19 HA TRP 19 6.390 5.946 0.817 153 1HB TRP 19 2HB TRP 19 4.155 6.794 0.556 154 2HB TRP 19 1HB TRP 19 4.077 5.066 0.859 155 HD1 TRP 19 HD TRP 19 2.661 8.260 1.964 156 HE1 TRP 19 1HE TRP 19 1.238 7.959 4.086 157 HE3 TRP 19 3HE TRP 19 4.138 3.547 3.266 158 HZ2 TRP 19 2HZ TRP 19 0.797 5.985 6.051 159 HZ3 TRP 19 3HZ TRP 19 3.167 2.523 5.281 160 HH2 TRP 19 HH TRP 19 1.532 3.717 6.644 161 H ARG 20 H ARG 20 6.098 8.257 0.642 162 HA ARG 20 HA ARG 20 6.047 9.866 3.022 163 1HB ARG 20 2HB ARG 20 8.243 10.307 3.316 164 2HB ARG 20 1HB ARG 20 8.501 8.810 2.434 165 1HG ARG 20 2HG ARG 20 8.307 11.438 1.007 166 2HG ARG 20 1HG ARG 20 9.820 10.889 1.728 167 1HD ARG 20 2HD ARG 20 8.978 8.677 0.342 168 2HD ARG 20 1HD ARG 20 8.463 10.001 -0.702 169 HE ARG 20 HE ARG 20 11.202 9.280 -0.012 170 1HH1 ARG 20 1HH1 ARG 20 9.018 11.489 -1.588 171 2HH1 ARG 20 2HH1 ARG 20 10.249 12.206 -2.573 172 1HH2 ARG 20 1HH2 ARG 20 12.830 10.221 -1.303 173 2HH2 ARG 20 2HH2 ARG 20 12.415 11.485 -2.411 174 HA PRO 21 HA PRO 21 4.569 12.954 0.258 175 1HB PRO 21 2HB PRO 21 6.588 14.884 1.271 176 2HB PRO 21 1HB PRO 21 4.828 15.016 1.225 177 1HG PRO 21 2HG PRO 21 6.092 14.550 3.524 178 2HG PRO 21 1HG PRO 21 4.548 13.762 3.156 179 1HD PRO 21 2HD PRO 21 7.322 12.653 3.046 180 2HD PRO 21 1HD PRO 21 5.819 11.888 3.600 181 H LYS 22 H LYS 22 4.970 12.820 -1.830 182 HA LYS 22 HA LYS 22 7.495 12.389 -2.971 183 1HB LYS 22 2HB LYS 22 5.071 11.952 -3.861 184 2HB LYS 22 1HB LYS 22 5.242 13.559 -4.553 185 1HG LYS 22 2HG LYS 22 7.595 12.200 -5.216 186 2HG LYS 22 1HG LYS 22 6.280 11.051 -5.477 187 1HD LYS 22 2HD LYS 22 5.250 12.397 -7.064 188 2HD LYS 22 1HD LYS 22 6.054 13.860 -6.490 189 1HE LYS 22 2HE LYS 22 8.060 12.037 -7.315 190 2HE LYS 22 1HE LYS 22 6.837 12.091 -8.582 191 1HZ LYS 22 1HZ LYS 22 8.481 13.770 -8.985 192 2HZ LYS 22 2HZ LYS 22 8.291 14.410 -7.432 193 3HZ LYS 22 3HZ LYS 22 7.033 14.532 -8.555 194 H ASN 23 H ASN 23 5.744 15.330 -2.272 195 HA ASN 23 HA ASN 23 7.715 16.911 -3.760 196 1HB ASN 23 2HB ASN 23 6.211 18.791 -3.479 197 2HB ASN 23 1HB ASN 23 5.309 17.411 -4.099 198 1HD2 ASN 23 1HD2 ASN 23 4.853 19.900 -2.270 199 2HD2 ASN 23 2HD2 ASN 23 3.862 19.256 -1.010 200 H SER 24 H SER 24 6.403 16.502 -0.495 201 HA SER 24 HA SER 24 8.284 18.429 0.592 202 1HB SER 24 2HB SER 24 5.757 17.502 1.368 203 2HB SER 24 1HB SER 24 6.870 16.885 2.591 204 HG SER 24 HG SER 24 6.606 18.841 3.359 205 H VAL 25 H VAL 25 9.678 17.875 2.415 206 HA VAL 25 HA VAL 25 10.892 15.229 2.026 207 HB VAL 25 HB VAL 25 12.350 17.193 1.648 208 1HG1 VAL 25 1HG1 VAL 25 11.866 18.927 3.013 209 2HG1 VAL 25 2HG1 VAL 25 13.094 18.178 4.033 210 3HG1 VAL 25 3HG1 VAL 25 11.385 17.881 4.350 211 1HG2 VAL 25 1HG2 VAL 25 13.178 15.609 4.075 212 2HG2 VAL 25 2HG2 VAL 25 14.238 16.389 2.903 213 3HG2 VAL 25 3HG2 VAL 25 13.250 15.011 2.418 214 H GLY 26 H GLY 26 11.429 13.918 3.790 215 1HA GLY 26 2HA GLY 26 11.303 14.448 6.470 216 2HA GLY 26 1HA GLY 26 9.635 14.123 6.022 217 H ARG 27 H ARG 27 9.928 12.352 7.595 218 HA ARG 27 HA ARG 27 11.551 10.112 6.702 219 1HB ARG 27 2HB ARG 27 10.096 10.838 9.183 220 2HB ARG 27 1HB ARG 27 10.236 9.122 8.828 221 1HG ARG 27 2HG ARG 27 12.398 9.071 9.370 222 2HG ARG 27 1HG ARG 27 12.744 10.575 8.513 223 1HD ARG 27 2HD ARG 27 11.907 11.868 10.382 224 2HD ARG 27 1HD ARG 27 11.435 10.395 11.226 225 HE ARG 27 HE ARG 27 13.779 9.875 11.476 226 1HH1 ARG 27 1HH1 ARG 27 13.029 13.111 10.424 227 2HH1 ARG 27 2HH1 ARG 27 14.553 13.765 10.922 228 1HH2 ARG 27 1HH2 ARG 27 15.788 10.728 12.136 229 2HH2 ARG 27 2HH2 ARG 27 16.122 12.410 11.894 230 H TRP 28 H TRP 28 10.666 7.987 6.384 231 HA TRP 28 HA TRP 28 8.219 8.052 4.860 232 1HB TRP 28 2HB TRP 28 10.190 5.847 5.479 233 2HB TRP 28 1HB TRP 28 8.745 5.601 4.506 234 HD1 TRP 28 HD TRP 28 11.553 8.299 4.388 235 HE1 TRP 28 1HE TRP 28 12.346 8.496 1.947 236 HE3 TRP 28 3HE TRP 28 8.545 4.749 2.265 237 HZ2 TRP 28 2HZ TRP 28 11.773 7.305 -0.547 238 HZ3 TRP 28 3HZ TRP 28 8.731 4.340 -0.154 239 HH2 TRP 28 HH TRP 28 10.312 5.592 -1.530 240 H LYS 29 H LYS 29 7.008 5.680 5.235 241 HA LYS 29 HA LYS 29 6.396 5.411 8.084 242 1HB LYS 29 2HB LYS 29 4.101 5.516 6.166 243 2HB LYS 29 1HB LYS 29 4.117 5.813 7.898 244 1HG LYS 29 2HG LYS 29 5.663 7.851 7.031 245 2HG LYS 29 1HG LYS 29 4.574 7.653 5.657 246 1HD LYS 29 2HD LYS 29 3.442 9.168 7.008 247 2HD LYS 29 1HD LYS 29 2.704 7.623 7.438 248 1HE LYS 29 2HE LYS 29 4.683 7.649 9.227 249 2HE LYS 29 1HE LYS 29 4.487 9.388 9.015 250 1HZ LYS 29 1HZ LYS 29 3.035 8.884 10.724 251 2HZ LYS 29 2HZ LYS 29 2.541 7.422 10.033 252 3HZ LYS 29 3HZ LYS 29 2.011 8.888 9.377 253 H GLU 30 H GLU 30 5.685 3.345 8.650 254 HA GLU 30 HA GLU 30 5.722 1.393 6.444 255 1HB GLU 30 2HB GLU 30 6.856 1.196 9.226 256 2HB GLU 30 1HB GLU 30 6.569 -0.222 8.226 257 1HG GLU 30 2HG GLU 30 8.108 0.571 6.564 258 2HG GLU 30 1HG GLU 30 8.312 2.095 7.427 259 H ALA 31 H ALA 31 4.107 0.011 6.266 260 HA ALA 31 HA ALA 31 2.289 -0.438 8.516 261 1HB ALA 31 1HB ALA 31 1.149 0.106 5.796 262 2HB ALA 31 2HB ALA 31 1.477 1.425 6.919 263 3HB ALA 31 3HB ALA 31 0.349 0.146 7.368 264 H THR 32 H THR 32 2.162 -2.575 8.781 265 HA THR 32 HA THR 32 2.915 -4.344 6.623 266 HB THR 32 HB THR 32 2.081 -5.010 9.450 267 HG1 THR 32 1HG THR 32 4.702 -5.366 8.626 268 1HG2 THR 32 1HG2 THR 32 3.202 -6.691 7.211 269 2HG2 THR 32 2HG2 THR 32 1.717 -6.949 8.128 270 3HG2 THR 32 3HG2 THR 32 3.284 -7.179 8.904 271 H ILE 33 H ILE 33 1.638 -5.565 5.417 272 HA ILE 33 HA ILE 33 -1.218 -5.746 6.115 273 HB ILE 33 HB ILE 33 -0.221 -5.702 3.273 274 1HG1 ILE 33 2HG1 ILE 33 -1.359 -3.348 4.795 275 2HG1 ILE 33 1HG1 ILE 33 0.355 -3.562 4.452 276 1HG2 ILE 33 1HG2 ILE 33 -2.765 -6.072 4.585 277 2HG2 ILE 33 2HG2 ILE 33 -2.321 -6.330 2.898 278 3HG2 ILE 33 3HG2 ILE 33 -2.822 -4.728 3.444 279 1HD1 ILE 33 1HD1 ILE 33 0.027 -2.467 2.560 280 2HD1 ILE 33 2HD1 ILE 33 -1.721 -2.480 2.795 281 3HD1 ILE 33 3HD1 ILE 33 -0.930 -3.836 1.992 282 HA PRO 34 HA PRO 34 0.142 -10.056 6.056 283 1HB PRO 34 2HB PRO 34 -2.640 -10.537 6.884 284 2HB PRO 34 1HB PRO 34 -1.137 -10.984 7.691 285 1HG PRO 34 2HG PRO 34 -2.719 -9.036 8.637 286 2HG PRO 34 1HG PRO 34 -0.952 -8.950 8.764 287 1HD PRO 34 2HD PRO 34 -2.787 -7.568 6.848 288 2HD PRO 34 1HD PRO 34 -1.342 -6.946 7.671 289 H GLY 35 H GLY 35 0.320 -10.600 3.938 290 1HA GLY 35 2HA GLY 35 -0.261 -11.487 1.909 291 2HA GLY 35 1HA GLY 35 -1.673 -12.131 2.729 292 H HIS 36 H HIS 36 -3.638 -11.057 2.579 293 HA HIS 36 HA HIS 36 -3.763 -8.622 0.978 294 1HB HIS 36 2HB HIS 36 -3.897 -10.744 -0.492 295 2HB HIS 36 1HB HIS 36 -5.494 -10.960 0.212 296 HD2 HIS 36 2HD HIS 36 -5.054 -7.285 -0.268 297 HE1 HIS 36 1HE HIS 36 -6.740 -8.741 -3.866 298 HE2 HIS 36 2HE HIS 36 -6.365 -6.689 -2.426 299 H LEU 37 H LEU 37 -4.906 -7.297 2.215 300 HA LEU 37 HA LEU 37 -6.912 -8.291 4.044 301 1HB LEU 37 2HB LEU 37 -5.286 -5.967 3.839 302 2HB LEU 37 1HB LEU 37 -6.959 -5.444 3.836 303 HG LEU 37 HG LEU 37 -6.272 -5.389 6.091 304 1HD1 LEU 37 1HD1 LEU 37 -7.438 -7.898 6.671 305 2HD1 LEU 37 2HD1 LEU 37 -8.242 -7.256 5.239 306 3HD1 LEU 37 3HD1 LEU 37 -8.189 -6.303 6.721 307 1HD2 LEU 37 1HD2 LEU 37 -5.511 -8.076 6.648 308 2HD2 LEU 37 2HD2 LEU 37 -4.574 -6.594 6.841 309 3HD2 LEU 37 3HD2 LEU 37 -4.532 -7.471 5.311 310 H ASN 38 H ASN 38 -6.878 -7.618 0.837 311 HA ASN 38 HA ASN 38 -8.525 -7.527 -0.728 312 1HB ASN 38 2HB ASN 38 -9.889 -8.568 1.398 313 2HB ASN 38 1HB ASN 38 -10.796 -7.090 1.095 314 1HD2 ASN 38 1HD2 ASN 38 -9.108 -9.184 -1.191 315 2HD2 ASN 38 2HD2 ASN 38 -10.508 -9.613 -2.106 316 H SER 39 H SER 39 -9.645 -5.439 1.950 317 HA SER 39 HA SER 39 -9.428 -3.158 0.103 318 1HB SER 39 2HB SER 39 -11.798 -4.195 1.260 319 2HB SER 39 1HB SER 39 -11.457 -2.667 2.072 320 HG SER 39 HG SER 39 -12.711 -2.451 0.126 321 H TYR 40 H TYR 40 -7.697 -2.095 0.831 322 HA TYR 40 HA TYR 40 -7.625 -1.377 3.687 323 1HB TYR 40 2HB TYR 40 -5.862 -3.043 3.140 324 2HB TYR 40 1HB TYR 40 -5.220 -1.935 1.932 325 HD1 TYR 40 1HD TYR 40 -3.918 -0.012 2.575 326 HD2 TYR 40 2HD TYR 40 -5.639 -2.539 5.535 327 HE1 TYR 40 1HE TYR 40 -2.515 1.052 4.291 328 HE2 TYR 40 2HE TYR 40 -4.239 -1.483 7.258 329 HH TYR 40 HH TYR 40 -1.974 1.132 6.441 330 H THR 41 H THR 41 -7.977 0.725 3.892 331 HA THR 41 HA THR 41 -6.886 2.540 1.840 332 HB THR 41 HB THR 41 -9.253 2.644 1.623 333 HG1 THR 41 1HG THR 41 -8.060 4.703 1.854 334 1HG2 THR 41 1HG2 THR 41 -9.199 2.253 4.508 335 2HG2 THR 41 2HG2 THR 41 -10.471 1.888 3.343 336 3HG2 THR 41 3HG2 THR 41 -10.329 3.513 4.013 337 H ILE 42 H ILE 42 -5.912 4.431 2.512 338 HA ILE 42 HA ILE 42 -5.081 4.472 5.310 339 HB ILE 42 HB ILE 42 -4.067 6.205 3.055 340 1HG1 ILE 42 2HG1 ILE 42 -2.636 3.790 4.131 341 2HG1 ILE 42 1HG1 ILE 42 -3.810 3.629 2.828 342 1HG2 ILE 42 1HG2 ILE 42 -2.028 6.036 4.769 343 2HG2 ILE 42 2HG2 ILE 42 -3.364 5.839 5.904 344 3HG2 ILE 42 3HG2 ILE 42 -3.276 7.277 4.887 345 1HD1 ILE 42 1HD1 ILE 42 -1.101 4.267 2.620 346 2HD1 ILE 42 2HD1 ILE 42 -1.976 5.752 2.245 347 3HD1 ILE 42 3HD1 ILE 42 -2.313 4.278 1.339 348 H LYS 43 H LYS 43 -5.715 6.004 6.726 349 HA LYS 43 HA LYS 43 -7.444 8.153 5.695 350 1HB LYS 43 2HB LYS 43 -7.442 6.927 8.455 351 2HB LYS 43 1HB LYS 43 -8.569 8.134 7.850 352 1HG LYS 43 2HG LYS 43 -9.890 6.557 7.039 353 2HG LYS 43 1HG LYS 43 -8.562 5.870 6.102 354 1HD LYS 43 2HD LYS 43 -8.690 4.082 7.429 355 2HD LYS 43 1HD LYS 43 -8.037 5.094 8.718 356 1HE LYS 43 2HE LYS 43 -10.966 5.154 8.159 357 2HE LYS 43 1HE LYS 43 -10.288 3.790 9.047 358 1HZ LYS 43 1HZ LYS 43 -10.659 5.139 10.791 359 2HZ LYS 43 2HZ LYS 43 -10.617 6.556 9.869 360 3HZ LYS 43 3HZ LYS 43 -9.173 5.818 10.348 361 H GLY 44 H GLY 44 -7.352 10.221 6.725 362 1HA GLY 44 2HA GLY 44 -6.350 11.834 8.145 363 2HA GLY 44 1HA GLY 44 -5.000 10.737 8.395 364 H LEU 45 H LEU 45 -6.399 11.690 5.291 365 HA LEU 45 HA LEU 45 -3.910 13.149 4.703 366 1HB LEU 45 2HB LEU 45 -5.191 11.900 2.388 367 2HB LEU 45 1HB LEU 45 -3.495 11.975 2.833 368 HG LEU 45 HG LEU 45 -5.409 10.069 4.164 369 1HD1 LEU 45 1HD1 LEU 45 -5.548 9.480 1.874 370 2HD1 LEU 45 2HD1 LEU 45 -4.401 8.361 2.609 371 3HD1 LEU 45 3HD1 LEU 45 -3.816 9.711 1.637 372 1HD2 LEU 45 1HD2 LEU 45 -2.695 9.196 3.896 373 2HD2 LEU 45 2HD2 LEU 45 -3.638 9.472 5.361 374 3HD2 LEU 45 3HD2 LEU 45 -2.736 10.800 4.631 375 H LYS 46 H LYS 46 -4.192 14.524 2.644 376 HA LYS 46 HA LYS 46 -6.885 15.541 2.260 377 1HB LYS 46 2HB LYS 46 -6.594 17.145 3.816 378 2HB LYS 46 1HB LYS 46 -4.858 16.890 3.886 379 1HG LYS 46 2HG LYS 46 -5.589 18.184 1.419 380 2HG LYS 46 1HG LYS 46 -6.215 19.073 2.808 381 1HD LYS 46 2HD LYS 46 -3.514 18.193 3.293 382 2HD LYS 46 1HD LYS 46 -3.609 19.122 1.796 383 1HE LYS 46 2HE LYS 46 -3.906 21.037 2.900 384 2HE LYS 46 1HE LYS 46 -5.162 20.335 3.919 385 1HZ LYS 46 1HZ LYS 46 -3.648 19.715 5.512 386 2HZ LYS 46 2HZ LYS 46 -2.970 21.168 4.975 387 3HZ LYS 46 3HZ LYS 46 -2.339 19.693 4.440 388 HA PRO 47 HA PRO 47 -5.458 15.793 -1.932 389 1HB PRO 47 2HB PRO 47 -7.335 18.098 -2.096 390 2HB PRO 47 1HB PRO 47 -7.231 16.655 -3.111 391 1HG PRO 47 2HG PRO 47 -9.174 16.911 -1.309 392 2HG PRO 47 1HG PRO 47 -8.396 15.342 -1.598 393 1HD PRO 47 2HD PRO 47 -8.026 17.258 0.665 394 2HD PRO 47 1HD PRO 47 -8.032 15.482 0.677 395 H GLY 48 H GLY 48 -4.289 17.194 -3.345 396 1HA GLY 48 2HA GLY 48 -3.406 19.423 -3.810 397 2HA GLY 48 1HA GLY 48 -3.324 19.678 -2.074 398 H VAL 49 H VAL 49 -1.968 17.825 -0.967 399 HA VAL 49 HA VAL 49 0.681 18.076 -2.043 400 HB VAL 49 HB VAL 49 0.694 18.195 0.272 401 1HG1 VAL 49 1HG1 VAL 49 -1.274 15.924 0.233 402 2HG1 VAL 49 2HG1 VAL 49 -1.503 17.569 0.825 403 3HG1 VAL 49 3HG1 VAL 49 -0.464 16.452 1.707 404 1HG2 VAL 49 1HG2 VAL 49 1.688 15.656 -0.799 405 2HG2 VAL 49 2HG2 VAL 49 1.402 15.628 0.940 406 3HG2 VAL 49 3HG2 VAL 49 2.483 16.836 0.243 407 H VAL 50 H VAL 50 1.863 16.621 -3.134 408 HA VAL 50 HA VAL 50 0.555 14.219 -4.083 409 HB VAL 50 HB VAL 50 1.822 15.492 -5.698 410 1HG1 VAL 50 1HG1 VAL 50 3.402 16.597 -4.273 411 2HG1 VAL 50 2HG1 VAL 50 4.288 15.695 -5.503 412 3HG1 VAL 50 3HG1 VAL 50 4.170 15.065 -3.860 413 1HG2 VAL 50 1HG2 VAL 50 3.532 13.698 -6.377 414 2HG2 VAL 50 2HG2 VAL 50 1.835 13.229 -6.269 415 3HG2 VAL 50 3HG2 VAL 50 2.950 12.810 -4.969 416 H TYR 51 H TYR 51 1.231 12.108 -3.692 417 HA TYR 51 HA TYR 51 3.172 11.782 -1.501 418 1HB TYR 51 2HB TYR 51 0.428 11.233 -1.432 419 2HB TYR 51 1HB TYR 51 1.193 9.664 -1.614 420 HD1 TYR 51 1HD TYR 51 -0.421 10.328 0.726 421 HD2 TYR 51 2HD TYR 51 3.728 10.963 0.037 422 HE1 TYR 51 1HE TYR 51 -0.020 10.291 3.149 423 HE2 TYR 51 2HE TYR 51 4.140 10.926 2.456 424 HH TYR 51 HH TYR 51 3.226 10.316 4.471 425 H GLU 52 H GLU 52 4.629 10.154 -1.651 426 HA GLU 52 HA GLU 52 4.573 8.541 -4.115 427 1HB GLU 52 2HB GLU 52 6.597 9.824 -4.007 428 2HB GLU 52 1HB GLU 52 6.852 9.397 -2.320 429 1HG GLU 52 2HG GLU 52 8.383 8.181 -3.730 430 2HG GLU 52 1HG GLU 52 7.240 7.069 -2.978 431 H GLY 53 H GLY 53 4.264 6.364 -3.910 432 1HA GLY 53 2HA GLY 53 4.453 5.282 -1.167 433 2HA GLY 53 1HA GLY 53 3.153 4.858 -2.264 434 H GLN 54 H GLN 54 5.188 3.277 -0.814 435 HA GLN 54 HA GLN 54 6.115 1.699 -3.112 436 1HB GLN 54 2HB GLN 54 7.726 2.747 -0.832 437 2HB GLN 54 1HB GLN 54 8.098 1.135 -1.429 438 1HG GLN 54 2HG GLN 54 7.928 2.632 -3.731 439 2HG GLN 54 1HG GLN 54 8.680 3.737 -2.581 440 1HE2 GLN 54 1HE2 GLN 54 10.174 3.065 -4.645 441 2HE2 GLN 54 2HE2 GLN 54 11.403 1.931 -4.211 442 H LEU 55 H LEU 55 5.560 -0.402 -2.968 443 HA LEU 55 HA LEU 55 4.798 -1.450 -0.321 444 1HB LEU 55 2HB LEU 55 2.941 -0.901 -2.065 445 2HB LEU 55 1HB LEU 55 3.484 -2.366 -2.856 446 HG LEU 55 HG LEU 55 2.707 -3.737 -1.143 447 1HD1 LEU 55 1HD1 LEU 55 2.795 -1.300 0.604 448 2HD1 LEU 55 2HD1 LEU 55 3.654 -2.828 0.800 449 3HD1 LEU 55 3HD1 LEU 55 1.911 -2.755 1.064 450 1HD2 LEU 55 1HD2 LEU 55 0.437 -2.455 -0.463 451 2HD2 LEU 55 2HD2 LEU 55 0.700 -3.235 -2.023 452 3HD2 LEU 55 3HD2 LEU 55 0.943 -1.497 -1.854 453 H ILE 56 H ILE 56 6.389 -2.812 0.211 454 HA ILE 56 HA ILE 56 7.337 -4.720 -1.827 455 HB ILE 56 HB ILE 56 8.805 -3.622 0.569 456 1HG1 ILE 56 2HG1 ILE 56 10.329 -3.152 -1.675 457 2HG1 ILE 56 1HG1 ILE 56 8.692 -2.923 -2.283 458 1HG2 ILE 56 1HG2 ILE 56 10.484 -5.077 -1.225 459 2HG2 ILE 56 2HG2 ILE 56 9.135 -6.103 -0.738 460 3HG2 ILE 56 3HG2 ILE 56 10.171 -5.369 0.486 461 1HD1 ILE 56 1HD1 ILE 56 9.203 -1.605 0.269 462 2HD1 ILE 56 2HD1 ILE 56 8.442 -0.992 -1.199 463 3HD1 ILE 56 3HD1 ILE 56 10.201 -1.022 -1.063 464 H SER 57 H SER 57 6.593 -6.703 -1.516 465 HA SER 57 HA SER 57 5.631 -7.570 1.065 466 1HB SER 57 2HB SER 57 4.886 -8.156 -1.493 467 2HB SER 57 1HB SER 57 5.863 -9.567 -1.091 468 HG SER 57 HG SER 57 3.520 -9.591 -0.539 469 H ILE 58 H ILE 58 6.747 -8.700 2.508 470 HA ILE 58 HA ILE 58 9.334 -9.842 1.690 471 HB ILE 58 HB ILE 58 8.493 -8.876 4.422 472 1HG1 ILE 58 2HG1 ILE 58 8.908 -7.136 2.614 473 2HG1 ILE 58 1HG1 ILE 58 9.877 -6.985 4.073 474 1HG2 ILE 58 1HG2 ILE 58 11.290 -9.172 4.226 475 2HG2 ILE 58 2HG2 ILE 58 10.569 -10.659 3.610 476 3HG2 ILE 58 3HG2 ILE 58 10.165 -10.089 5.229 477 1HD1 ILE 58 1HD1 ILE 58 10.811 -8.229 1.500 478 2HD1 ILE 58 2HD1 ILE 58 11.780 -7.952 2.947 479 3HD1 ILE 58 3HD1 ILE 58 11.160 -6.582 2.024 480 H GLN 59 H GLN 59 9.538 -11.971 1.771 481 HA GLN 59 HA GLN 59 7.565 -13.521 3.301 482 1HB GLN 59 2HB GLN 59 8.744 -13.832 0.678 483 2HB GLN 59 1HB GLN 59 9.014 -15.269 1.655 484 1HG GLN 59 2HG GLN 59 6.286 -14.104 1.604 485 2HG GLN 59 1HG GLN 59 6.852 -14.970 0.178 486 1HE2 GLN 59 1HE2 GLN 59 6.164 -16.977 0.159 487 2HE2 GLN 59 2HE2 GLN 59 6.007 -18.019 1.528 488 H GLN 60 H GLN 60 8.679 -15.866 3.726 489 HA GLN 60 HA GLN 60 10.501 -15.403 5.836 490 1HB GLN 60 2HB GLN 60 10.120 -18.098 4.569 491 2HB GLN 60 1HB GLN 60 10.391 -17.703 6.260 492 1HG GLN 60 2HG GLN 60 8.046 -16.449 5.856 493 2HG GLN 60 1HG GLN 60 7.897 -17.775 4.703 494 1HE2 GLN 60 1HE2 GLN 60 7.403 -16.847 7.842 495 2HE2 GLN 60 2HE2 GLN 60 7.258 -18.405 8.574 496 H TYR 61 H TYR 61 10.971 -15.687 2.503 497 HA TYR 61 HA TYR 61 13.759 -16.548 2.816 498 1HB TYR 61 2HB TYR 61 12.453 -16.093 0.156 499 2HB TYR 61 1HB TYR 61 13.754 -17.200 0.580 500 HD1 TYR 61 1HD TYR 61 13.209 -19.292 1.860 501 HD2 TYR 61 2HD TYR 61 10.190 -16.779 0.227 502 HE1 TYR 61 1HE TYR 61 11.583 -21.127 2.059 503 HE2 TYR 61 2HE TYR 61 8.556 -18.605 0.422 504 HH TYR 61 HH TYR 61 8.539 -21.057 0.557 505 H GLY 62 H GLY 62 12.029 -13.752 2.784 506 1HA GLY 62 2HA GLY 62 13.350 -11.697 3.018 507 2HA GLY 62 1HA GLY 62 14.306 -12.248 1.650 508 H HIS 63 H HIS 63 13.751 -10.026 0.894 509 HA HIS 63 HA HIS 63 11.113 -9.326 0.181 510 1HB HIS 63 2HB HIS 63 12.206 -7.645 -1.308 511 2HB HIS 63 1HB HIS 63 12.803 -7.614 0.348 512 HD2 HIS 63 2HD HIS 63 14.184 -7.495 -3.079 513 HE1 HIS 63 1HE HIS 63 17.201 -9.287 -0.711 514 HE2 HIS 63 2HE HIS 63 16.630 -8.356 -3.000 515 H GLN 64 H GLN 64 9.954 -9.573 -1.691 516 HA GLN 64 HA GLN 64 11.189 -10.989 -3.924 517 1HB GLN 64 2HB GLN 64 8.550 -12.069 -3.429 518 2HB GLN 64 1HB GLN 64 10.072 -12.911 -3.684 519 1HG GLN 64 2HG GLN 64 9.888 -11.707 -1.046 520 2HG GLN 64 1HG GLN 64 8.596 -12.865 -1.366 521 1HE2 GLN 64 1HE2 GLN 64 9.027 -14.917 -1.002 522 2HE2 GLN 64 2HE2 GLN 64 10.599 -15.621 -0.871 523 H GLU 65 H GLU 65 8.124 -9.643 -2.713 524 HA GLU 65 HA GLU 65 7.447 -8.795 -5.428 525 1HB GLU 65 2HB GLU 65 5.935 -9.831 -3.340 526 2HB GLU 65 1HB GLU 65 5.512 -8.125 -3.362 527 1HG GLU 65 2HG GLU 65 4.746 -8.243 -5.591 528 2HG GLU 65 1HG GLU 65 5.465 -9.835 -5.829 529 H VAL 66 H VAL 66 7.688 -6.772 -6.095 530 HA VAL 66 HA VAL 66 7.754 -4.608 -4.113 531 HB VAL 66 HB VAL 66 10.027 -4.749 -4.421 532 1HG1 VAL 66 1HG1 VAL 66 11.162 -5.476 -6.380 533 2HG1 VAL 66 2HG1 VAL 66 9.697 -5.339 -7.354 534 3HG1 VAL 66 3HG1 VAL 66 9.813 -6.582 -6.106 535 1HG2 VAL 66 1HG2 VAL 66 9.168 -2.507 -5.112 536 2HG2 VAL 66 2HG2 VAL 66 9.301 -3.031 -6.790 537 3HG2 VAL 66 3HG2 VAL 66 10.745 -2.920 -5.785 538 H THR 67 H THR 67 6.367 -3.051 -4.627 539 HA THR 67 HA THR 67 5.831 -2.475 -7.455 540 HB THR 67 HB THR 67 3.539 -2.440 -5.530 541 HG1 THR 67 1HG THR 67 4.868 -4.680 -6.434 542 1HG2 THR 67 1HG2 THR 67 3.965 -2.120 -8.372 543 2HG2 THR 67 2HG2 THR 67 2.540 -1.747 -7.402 544 3HG2 THR 67 3HG2 THR 67 2.772 -3.374 -8.043 545 H ARG 68 H ARG 68 5.814 -0.353 -7.904 546 HA ARG 68 HA ARG 68 5.754 1.523 -5.634 547 1HB ARG 68 2HB ARG 68 6.911 2.155 -8.338 548 2HB ARG 68 1HB ARG 68 7.222 2.948 -6.799 549 1HG ARG 68 2HG ARG 68 8.451 1.018 -6.015 550 2HG ARG 68 1HG ARG 68 8.075 0.147 -7.502 551 1HD ARG 68 2HD ARG 68 9.649 2.715 -7.347 552 2HD ARG 68 1HD ARG 68 10.352 1.105 -7.494 553 HE ARG 68 HE ARG 68 9.466 0.960 -9.694 554 1HH1 ARG 68 1HH1 ARG 68 9.008 4.070 -8.192 555 2HH1 ARG 68 2HH1 ARG 68 8.725 4.894 -9.688 556 1HH2 ARG 68 1HH2 ARG 68 9.091 2.035 -11.668 557 2HH2 ARG 68 2HH2 ARG 68 8.772 3.738 -11.664 558 H PHE 69 H PHE 69 4.389 3.260 -5.663 559 HA PHE 69 HA PHE 69 2.922 3.971 -8.045 560 1HB PHE 69 2HB PHE 69 0.696 3.667 -6.813 561 2HB PHE 69 1HB PHE 69 1.468 2.223 -7.459 562 HD1 PHE 69 1HD PHE 69 2.407 0.553 -5.996 563 HD2 PHE 69 2HD PHE 69 0.576 4.059 -4.426 564 HE1 PHE 69 1HE PHE 69 2.324 -0.492 -3.772 565 HE2 PHE 69 2HE PHE 69 0.492 3.023 -2.198 566 HZ PHE 69 HZ PHE 69 1.366 0.743 -1.868 567 H ASP 70 H ASP 70 2.567 6.073 -8.073 568 HA ASP 70 HA ASP 70 2.927 7.591 -5.597 569 1HB ASP 70 2HB ASP 70 2.751 9.526 -7.426 570 2HB ASP 70 1HB ASP 70 4.253 8.653 -7.142 571 H PHE 71 H PHE 71 1.227 8.382 -4.537 572 HA PHE 71 HA PHE 71 -1.293 8.721 -6.020 573 1HB PHE 71 2HB PHE 71 -2.511 7.994 -4.017 574 2HB PHE 71 1HB PHE 71 -1.439 6.733 -4.625 575 HD1 PHE 71 1HD PHE 71 0.977 6.768 -3.492 576 HD2 PHE 71 2HD PHE 71 -2.575 8.360 -1.771 577 HE1 PHE 71 1HE PHE 71 1.967 6.546 -1.252 578 HE2 PHE 71 2HE PHE 71 -1.590 8.144 0.472 579 HZ PHE 71 HZ PHE 71 0.684 7.234 0.734 580 H THR 72 H THR 72 -2.843 10.204 -4.987 581 HA THR 72 HA THR 72 -1.417 12.483 -3.795 582 HB THR 72 HB THR 72 -3.298 13.875 -4.618 583 HG1 THR 72 1HG THR 72 -4.185 11.888 -6.340 584 1HG2 THR 72 1HG2 THR 72 -1.408 13.848 -6.028 585 2HG2 THR 72 2HG2 THR 72 -2.781 13.550 -7.093 586 3HG2 THR 72 3HG2 THR 72 -1.750 12.211 -6.589 587 H THR 73 H THR 73 -2.829 13.910 -2.423 588 HA THR 73 HA THR 73 -4.315 14.303 -0.720 589 HB THR 73 HB THR 73 -5.148 11.407 -0.694 590 HG1 THR 73 1HG THR 73 -6.714 13.267 -2.051 591 1HG2 THR 73 1HG2 THR 73 -5.729 13.293 1.085 592 2HG2 THR 73 2HG2 THR 73 -6.914 12.083 0.594 593 3HG2 THR 73 3HG2 THR 73 -6.956 13.697 -0.116 594 H THR 74 H THR 74 -2.880 14.749 0.817 595 HA THR 74 HA THR 74 -2.175 12.634 2.695 596 HB THR 74 HB THR 74 0.032 12.633 2.355 597 HG1 THR 74 1HG THR 74 1.171 14.405 2.744 598 1HG2 THR 74 1HG2 THR 74 -0.854 14.159 -0.079 599 2HG2 THR 74 2HG2 THR 74 -0.411 12.455 0.054 600 3HG2 THR 74 3HG2 THR 74 0.833 13.702 0.161 601 H SER 75 H SER 75 -1.599 13.447 4.812 602 HA SER 75 HA SER 75 -1.716 16.278 5.316 603 1HB SER 75 2HB SER 75 -4.150 15.402 5.053 604 2HB SER 75 1HB SER 75 -3.890 14.689 6.645 605 HG SER 75 HG SER 75 -4.398 17.257 5.983 606 H THR 76 H THR 76 -0.813 13.179 6.142 607 HA THR 76 HA THR 76 -0.625 13.464 8.971 608 HB THR 76 HB THR 76 -0.621 11.237 8.330 609 HG1 THR 76 1HG THR 76 1.002 11.304 9.798 610 1HG2 THR 76 1HG2 THR 76 -0.258 11.455 5.974 611 2HG2 THR 76 2HG2 THR 76 0.928 10.309 6.600 612 3HG2 THR 76 3HG2 THR 76 1.412 11.964 6.226 613 H SER 77 H SER 77 2.376 12.538 7.531 614 HA SER 77 HA SER 77 4.486 13.329 7.915 615 1HB SER 77 2HB SER 77 3.372 14.768 5.994 616 2HB SER 77 1HB SER 77 3.541 16.067 7.175 617 HG SER 77 HG SER 77 5.692 15.906 7.072 618 H THR 78 H THR 78 4.163 13.036 10.265 619 HA THR 78 HA THR 78 4.596 15.580 11.640 620 HB THR 78 HB THR 78 2.352 15.377 12.210 621 HG1 THR 78 1HG THR 78 3.907 15.287 14.074 622 1HG2 THR 78 1HG2 THR 78 1.954 13.189 11.191 623 2HG2 THR 78 2HG2 THR 78 1.242 13.274 12.801 624 3HG2 THR 78 3HG2 THR 78 2.755 12.403 12.551 625 HA PRO 79 HA PRO 79 7.774 12.668 13.071 626 1HB PRO 79 2HB PRO 79 9.282 15.053 13.776 627 2HB PRO 79 1HB PRO 79 9.655 13.822 12.568 628 1HG PRO 79 2HG PRO 79 8.957 16.368 11.922 629 2HG PRO 79 1HG PRO 79 8.612 14.973 10.882 630 1HD PRO 79 2HD PRO 79 6.793 16.432 12.765 631 2HD PRO 79 1HD PRO 79 6.461 15.814 11.132 632 H GLY 80 H GLY 80 7.627 15.778 14.820 633 1HA GLY 80 2HA GLY 80 6.485 15.847 17.002 634 2HA GLY 80 1HA GLY 80 7.128 14.239 17.292 635 H SER 81 H SER 81 8.173 14.835 19.194 636 HA SER 81 HA SER 81 10.423 16.710 18.866 637 1HB SER 81 2HB SER 81 10.191 16.427 21.566 638 2HB SER 81 1HB SER 81 9.410 17.704 20.635 639 HG SER 81 HG SER 81 8.151 15.211 20.996 640 H ARG 82 H ARG 82 9.803 14.233 21.326 641 HA ARG 82 HA ARG 82 12.419 13.053 20.673 642 1HB ARG 82 2HB ARG 82 11.315 13.918 23.128 643 2HB ARG 82 1HB ARG 82 11.393 12.163 23.202 644 1HG ARG 82 2HG ARG 82 13.781 12.273 22.596 645 2HG ARG 82 1HG ARG 82 13.680 14.035 22.627 646 1HD ARG 82 2HD ARG 82 13.607 14.127 24.888 647 2HD ARG 82 1HD ARG 82 12.689 12.628 25.024 648 HE ARG 82 HE ARG 82 15.604 12.819 24.673 649 1HH1 ARG 82 1HH1 ARG 82 12.753 11.028 25.572 650 2HH1 ARG 82 2HH1 ARG 82 13.641 9.697 26.233 651 1HH2 ARG 82 1HH2 ARG 82 16.781 11.072 25.540 652 2HH2 ARG 82 2HH2 ARG 82 15.932 9.723 26.216 653 H SER 83 H SER 83 9.234 12.094 21.969 654 HA SER 83 HA SER 83 9.051 9.900 20.129 655 1HB SER 83 2HB SER 83 10.584 9.004 21.903 656 2HB SER 83 1HB SER 83 9.280 9.223 23.069 657 HG SER 83 HG SER 83 8.280 7.531 22.281 658 H HIS 84 H HIS 84 7.846 10.970 23.310 659 HA HIS 84 HA HIS 84 5.120 10.882 22.208 660 1HB HIS 84 2HB HIS 84 6.211 9.538 24.624 661 2HB HIS 84 1HB HIS 84 4.613 10.261 24.773 662 HD2 HIS 84 2HD HIS 84 2.738 8.444 24.280 663 HE1 HIS 84 1HE HIS 84 4.866 6.193 21.396 664 HE2 HIS 84 2HE HIS 84 2.765 6.305 22.812 665 H HIS 85 H HIS 85 4.132 11.613 24.941 666 HA HIS 85 HA HIS 85 3.597 13.466 26.133 667 1HB HIS 85 2HB HIS 85 6.377 14.313 25.301 668 2HB HIS 85 1HB HIS 85 5.376 15.214 26.435 669 HD2 HIS 85 2HD HIS 85 4.342 12.658 28.227 670 HE1 HIS 85 1HE HIS 85 8.489 12.066 28.831 671 HE2 HIS 85 2HE HIS 85 6.159 11.379 29.563 672 H HIS 86 H HIS 86 1.934 14.468 25.209 673 HA HIS 86 HA HIS 86 2.515 16.547 23.223 674 1HB HIS 86 2HB HIS 86 1.311 14.160 22.532 675 2HB HIS 86 1HB HIS 86 -0.061 15.231 22.790 676 HD2 HIS 86 2HD HIS 86 2.541 14.422 20.154 677 HE1 HIS 86 1HE HIS 86 0.689 18.054 19.020 678 HE2 HIS 86 2HE HIS 86 2.080 16.091 18.222 679 H HIS 87 H HIS 87 1.594 18.443 23.694 680 HA HIS 87 HA HIS 87 -0.623 18.458 25.635 681 1HB HIS 87 2HB HIS 87 1.957 19.818 25.695 682 2HB HIS 87 1HB HIS 87 0.605 20.930 25.887 683 HD2 HIS 87 2HD HIS 87 1.194 21.316 28.576 684 HE1 HIS 87 1HE HIS 87 0.266 17.344 29.708 685 HE2 HIS 87 2HE HIS 87 0.622 19.714 30.536 686 H HIS 88 H HIS 88 -2.410 18.970 24.553 687 HA HIS 88 HA HIS 88 -2.678 21.505 23.293 688 1HB HIS 88 2HB HIS 88 -1.557 19.851 21.559 689 2HB HIS 88 1HB HIS 88 -3.214 19.290 21.360 690 HD2 HIS 88 2HD HIS 88 -4.952 21.062 20.114 691 HE1 HIS 88 1HE HIS 88 -1.947 23.876 19.135 692 HE2 HIS 88 2HE HIS 88 -4.399 23.283 18.893 693 H HIS 89 H HIS 89 -4.387 21.720 24.731 694 HA HIS 89 HA HIS 89 -6.806 20.244 23.969 695 1HB HIS 89 2HB HIS 89 -7.201 20.686 26.658 696 2HB HIS 89 1HB HIS 89 -6.734 19.151 25.933 697 HD2 HIS 89 2HD HIS 89 -4.932 18.169 27.657 698 HE1 HIS 89 1HE HIS 89 -2.594 21.675 28.047 699 HE2 HIS 89 2HE HIS 89 -2.889 19.275 28.810 Start of MODEL 6 1 1H MET 1 1HT MET 1 -13.743 -12.717 12.699 2 2H MET 1 2HT MET 1 -12.072 -12.665 12.950 3 3H MET 1 3HT MET 1 -13.122 -12.773 14.272 4 HA MET 1 HA MET 1 -11.873 -14.862 13.192 5 1HB MET 1 2HB MET 1 -13.755 -14.336 15.165 6 2HB MET 1 1HB MET 1 -14.524 -15.573 14.181 7 1HG MET 1 2HG MET 1 -13.290 -16.555 16.024 8 2HG MET 1 1HG MET 1 -12.597 -17.026 14.473 9 1HE MET 1 1HE MET 1 -10.135 -17.416 14.534 10 2HE MET 1 2HE MET 1 -9.048 -16.031 14.641 11 3HE MET 1 3HE MET 1 -10.375 -16.023 13.480 12 H ARG 2 H ARG 2 -12.427 -13.929 10.812 13 HA ARG 2 HA ARG 2 -14.786 -15.175 9.681 14 1HB ARG 2 2HB ARG 2 -12.634 -13.366 8.663 15 2HB ARG 2 1HB ARG 2 -13.583 -14.291 7.507 16 1HG ARG 2 2HG ARG 2 -15.448 -13.160 9.246 17 2HG ARG 2 1HG ARG 2 -14.264 -11.889 8.929 18 1HD ARG 2 2HD ARG 2 -14.681 -11.890 6.649 19 2HD ARG 2 1HD ARG 2 -15.361 -13.517 6.674 20 HE ARG 2 HE ARG 2 -16.771 -11.231 7.884 21 1HH1 ARG 2 1HH1 ARG 2 -16.682 -13.990 5.757 22 2HH1 ARG 2 2HH1 ARG 2 -18.373 -13.921 5.389 23 1HH2 ARG 2 1HH2 ARG 2 -18.999 -11.133 7.402 24 2HH2 ARG 2 2HH2 ARG 2 -19.689 -12.299 6.322 25 H GLY 3 H GLY 3 -13.753 -15.899 7.159 26 1HA GLY 3 2HA GLY 3 -12.108 -17.419 6.225 27 2HA GLY 3 1HA GLY 3 -11.965 -18.151 7.817 28 H SER 4 H SER 4 -15.016 -17.899 7.988 29 HA SER 4 HA SER 4 -15.595 -20.551 7.182 30 1HB SER 4 2HB SER 4 -17.788 -18.581 7.679 31 2HB SER 4 1HB SER 4 -17.646 -20.258 8.207 32 HG SER 4 HG SER 4 -15.827 -18.362 9.184 33 H ASN 5 H ASN 5 -15.835 -21.201 5.161 34 HA ASN 5 HA ASN 5 -16.464 -21.326 2.984 35 1HB ASN 5 2HB ASN 5 -18.566 -19.514 4.117 36 2HB ASN 5 1HB ASN 5 -18.511 -19.807 2.382 37 1HD2 ASN 5 1HD2 ASN 5 -18.274 -22.212 1.832 38 2HD2 ASN 5 2HD2 ASN 5 -19.317 -23.282 2.702 39 H ALA 6 H ALA 6 -16.723 -20.007 0.925 40 HA ALA 6 HA ALA 6 -15.766 -18.576 -0.564 41 1HB ALA 6 1HB ALA 6 -17.248 -16.953 0.350 42 2HB ALA 6 2HB ALA 6 -15.680 -16.173 0.144 43 3HB ALA 6 3HB ALA 6 -16.203 -16.693 1.746 44 HA PRO 7 HA PRO 7 -11.544 -19.363 1.235 45 1HB PRO 7 2HB PRO 7 -11.088 -19.926 -1.645 46 2HB PRO 7 1HB PRO 7 -10.602 -20.858 -0.225 47 1HG PRO 7 2HG PRO 7 -12.606 -21.681 -1.782 48 2HG PRO 7 1HG PRO 7 -12.674 -21.877 -0.020 49 1HD PRO 7 2HD PRO 7 -14.043 -19.867 -1.761 50 2HD PRO 7 1HD PRO 7 -14.649 -20.714 -0.323 51 H GLN 8 H GLN 8 -10.403 -17.570 1.570 52 HA GLN 8 HA GLN 8 -10.128 -15.632 -0.632 53 1HB GLN 8 2HB GLN 8 -9.775 -13.921 1.082 54 2HB GLN 8 1HB GLN 8 -11.318 -14.734 1.309 55 1HG GLN 8 2HG GLN 8 -10.770 -15.301 3.372 56 2HG GLN 8 1HG GLN 8 -9.295 -16.087 2.810 57 1HE2 GLN 8 1HE2 GLN 8 -7.602 -15.376 3.873 58 2HE2 GLN 8 2HE2 GLN 8 -7.310 -13.744 4.362 59 HA PRO 9 HA PRO 9 -5.775 -16.463 -0.491 60 1HB PRO 9 2HB PRO 9 -4.880 -14.470 -2.038 61 2HB PRO 9 1HB PRO 9 -5.868 -15.777 -2.702 62 1HG PRO 9 2HG PRO 9 -6.659 -12.994 -1.955 63 2HG PRO 9 1HG PRO 9 -7.158 -13.964 -3.351 64 1HD PRO 9 2HD PRO 9 -8.651 -13.629 -1.047 65 2HD PRO 9 1HD PRO 9 -8.835 -14.979 -2.183 66 H SER 10 H SER 10 -4.017 -15.919 0.718 67 HA SER 10 HA SER 10 -4.257 -13.511 2.376 68 1HB SER 10 2HB SER 10 -3.623 -14.840 4.062 69 2HB SER 10 1HB SER 10 -3.511 -16.199 2.944 70 HG SER 10 HG SER 10 -1.546 -15.448 4.200 71 H HIS 11 H HIS 11 -2.783 -14.452 -0.401 72 HA HIS 11 HA HIS 11 -1.018 -13.720 -1.629 73 1HB HIS 11 2HB HIS 11 -1.097 -11.312 0.209 74 2HB HIS 11 1HB HIS 11 -0.456 -11.373 -1.432 75 HD2 HIS 11 2HD HIS 11 -2.388 -11.510 -3.475 76 HE1 HIS 11 1HE HIS 11 -5.585 -10.458 -0.907 77 HE2 HIS 11 2HE HIS 11 -4.859 -10.729 -3.322 78 H ILE 12 H ILE 12 0.965 -11.764 -0.188 79 HA ILE 12 HA ILE 12 2.957 -13.693 0.356 80 HB ILE 12 HB ILE 12 3.416 -11.381 -0.425 81 1HG1 ILE 12 2HG1 ILE 12 4.940 -11.218 2.027 82 2HG1 ILE 12 1HG1 ILE 12 4.855 -12.889 1.467 83 1HG2 ILE 12 1HG2 ILE 12 2.115 -10.751 2.149 84 2HG2 ILE 12 2HG2 ILE 12 2.125 -9.856 0.629 85 3HG2 ILE 12 3HG2 ILE 12 3.511 -9.764 1.715 86 1HD1 ILE 12 1HD1 ILE 12 5.409 -11.334 -0.800 87 2HD1 ILE 12 2HD1 ILE 12 6.489 -12.439 0.050 88 3HD1 ILE 12 3HD1 ILE 12 6.452 -10.733 0.489 89 H SER 13 H SER 13 4.062 -14.052 2.399 90 HA SER 13 HA SER 13 2.406 -14.702 4.535 91 1HB SER 13 2HB SER 13 5.306 -14.515 4.086 92 2HB SER 13 1HB SER 13 4.830 -14.242 5.762 93 HG SER 13 HG SER 13 5.172 -16.533 4.732 94 H LYS 14 H LYS 14 4.282 -11.804 3.862 95 HA LYS 14 HA LYS 14 2.489 -10.162 5.374 96 1HB LYS 14 2HB LYS 14 4.227 -9.253 6.905 97 2HB LYS 14 1HB LYS 14 3.827 -10.932 7.239 98 1HG LYS 14 2HG LYS 14 5.854 -11.486 5.754 99 2HG LYS 14 1HG LYS 14 6.305 -9.799 6.008 100 1HD LYS 14 2HD LYS 14 5.936 -10.348 8.519 101 2HD LYS 14 1HD LYS 14 6.098 -12.026 7.996 102 1HE LYS 14 2HE LYS 14 8.306 -11.777 7.425 103 2HE LYS 14 1HE LYS 14 8.140 -10.052 7.105 104 1HZ LYS 14 1HZ LYS 14 9.384 -10.845 9.208 105 2HZ LYS 14 2HZ LYS 14 7.836 -11.066 9.851 106 3HZ LYS 14 3HZ LYS 14 8.322 -9.533 9.325 107 H TYR 15 H TYR 15 2.639 -8.002 4.733 108 HA TYR 15 HA TYR 15 4.789 -7.420 2.806 109 1HB TYR 15 2HB TYR 15 2.962 -7.533 1.368 110 2HB TYR 15 1HB TYR 15 1.831 -6.961 2.592 111 HD1 TYR 15 1HD TYR 15 4.505 -5.958 0.307 112 HD2 TYR 15 2HD TYR 15 1.325 -4.688 2.805 113 HE1 TYR 15 1HE TYR 15 4.739 -3.696 -0.579 114 HE2 TYR 15 2HE TYR 15 1.535 -2.407 1.933 115 HH TYR 15 HH TYR 15 2.421 -1.263 -0.031 116 H ILE 16 H ILE 16 5.486 -5.189 2.678 117 HA ILE 16 HA ILE 16 4.810 -3.610 5.079 118 HB ILE 16 HB ILE 16 7.483 -3.922 3.712 119 1HG1 ILE 16 2HG1 ILE 16 8.069 -4.275 6.245 120 2HG1 ILE 16 1HG1 ILE 16 6.343 -4.590 6.407 121 1HG2 ILE 16 1HG2 ILE 16 6.830 -1.950 5.903 122 2HG2 ILE 16 2HG2 ILE 16 6.955 -1.518 4.197 123 3HG2 ILE 16 3HG2 ILE 16 8.363 -2.144 5.054 124 1HD1 ILE 16 1HD1 ILE 16 6.713 -6.678 5.797 125 2HD1 ILE 16 2HD1 ILE 16 8.415 -6.322 5.501 126 3HD1 ILE 16 3HD1 ILE 16 7.231 -6.102 4.213 127 H LEU 17 H LEU 17 3.869 -1.738 4.646 128 HA LEU 17 HA LEU 17 4.163 -0.603 1.952 129 1HB LEU 17 2HB LEU 17 1.887 -1.090 2.556 130 2HB LEU 17 1HB LEU 17 2.052 -0.231 4.075 131 HG LEU 17 HG LEU 17 2.546 1.826 2.512 132 1HD1 LEU 17 1HD1 LEU 17 0.731 1.277 0.549 133 2HD1 LEU 17 2HD1 LEU 17 1.620 -0.243 0.658 134 3HD1 LEU 17 3HD1 LEU 17 2.483 1.265 0.345 135 1HD2 LEU 17 1HD2 LEU 17 -0.287 1.333 2.291 136 2HD2 LEU 17 2HD2 LEU 17 0.577 2.497 3.296 137 3HD2 LEU 17 3HD2 LEU 17 0.321 0.851 3.875 138 H ARG 18 H ARG 18 5.603 0.972 1.804 139 HA ARG 18 HA ARG 18 5.895 2.803 4.087 140 1HB ARG 18 2HB ARG 18 8.190 3.185 2.691 141 2HB ARG 18 1HB ARG 18 8.028 2.081 4.049 142 1HG ARG 18 2HG ARG 18 7.217 0.565 1.897 143 2HG ARG 18 1HG ARG 18 8.545 1.530 1.250 144 1HD ARG 18 2HD ARG 18 8.554 -0.541 3.381 145 2HD ARG 18 1HD ARG 18 9.715 -0.247 2.087 146 HE ARG 18 HE ARG 18 10.094 1.903 3.613 147 1HH1 ARG 18 1HH1 ARG 18 9.807 -1.463 4.464 148 2HH1 ARG 18 2HH1 ARG 18 10.824 -1.329 5.860 149 1HH2 ARG 18 1HH2 ARG 18 11.432 2.089 5.449 150 2HH2 ARG 18 2HH2 ARG 18 11.746 0.690 6.420 151 H TRP 19 H TRP 19 5.493 4.887 3.762 152 HA TRP 19 HA TRP 19 5.571 5.949 1.044 153 1HB TRP 19 2HB TRP 19 3.387 6.975 1.228 154 2HB TRP 19 1HB TRP 19 3.234 5.240 1.475 155 HD1 TRP 19 HD TRP 19 2.666 8.559 3.181 156 HE1 TRP 19 1HE TRP 19 1.521 8.168 5.452 157 HE3 TRP 19 3HE TRP 19 3.119 3.474 3.458 158 HZ2 TRP 19 2HZ TRP 19 0.893 5.998 7.137 159 HZ3 TRP 19 3HZ TRP 19 2.219 2.318 5.435 160 HH2 TRP 19 HH TRP 19 1.130 3.555 7.236 161 H ARG 20 H ARG 20 5.669 8.225 0.918 162 HA ARG 20 HA ARG 20 5.971 9.837 3.272 163 1HB ARG 20 2HB ARG 20 8.164 9.356 3.552 164 2HB ARG 20 1HB ARG 20 8.315 8.658 1.948 165 1HG ARG 20 2HG ARG 20 8.068 11.599 2.083 166 2HG ARG 20 1HG ARG 20 9.562 10.897 2.706 167 1HD ARG 20 2HD ARG 20 8.686 9.783 0.143 168 2HD ARG 20 1HD ARG 20 9.073 11.501 0.087 169 HE ARG 20 HE ARG 20 10.929 9.356 0.870 170 1HH1 ARG 20 1HH1 ARG 20 10.310 12.617 -0.188 171 2HH1 ARG 20 2HH1 ARG 20 11.978 12.973 -0.489 172 1HH2 ARG 20 1HH2 ARG 20 13.126 9.816 0.477 173 2HH2 ARG 20 2HH2 ARG 20 13.578 11.381 -0.111 174 HA PRO 21 HA PRO 21 4.524 12.891 0.419 175 1HB PRO 21 2HB PRO 21 6.279 14.813 1.853 176 2HB PRO 21 1HB PRO 21 4.538 14.881 1.561 177 1HG PRO 21 2HG PRO 21 5.476 14.290 3.979 178 2HG PRO 21 1HG PRO 21 4.052 13.456 3.329 179 1HD PRO 21 2HD PRO 21 6.884 12.505 3.534 180 2HD PRO 21 1HD PRO 21 5.372 11.624 3.832 181 H LYS 22 H LYS 22 5.285 12.793 -1.601 182 HA LYS 22 HA LYS 22 8.018 12.720 -2.292 183 1HB LYS 22 2HB LYS 22 5.847 11.975 -3.593 184 2HB LYS 22 1HB LYS 22 5.959 13.593 -4.271 185 1HG LYS 22 2HG LYS 22 8.533 12.610 -4.494 186 2HG LYS 22 1HG LYS 22 7.509 11.221 -4.863 187 1HD LYS 22 2HD LYS 22 7.922 12.346 -6.918 188 2HD LYS 22 1HD LYS 22 6.254 12.702 -6.463 189 1HE LYS 22 2HE LYS 22 6.976 14.862 -5.550 190 2HE LYS 22 1HE LYS 22 8.635 14.505 -6.031 191 1HZ LYS 22 1HZ LYS 22 6.407 15.409 -7.627 192 2HZ LYS 22 2HZ LYS 22 7.293 14.153 -8.331 193 3HZ LYS 22 3HZ LYS 22 8.069 15.588 -7.888 194 H ASN 23 H ASN 23 5.685 15.354 -2.131 195 HA ASN 23 HA ASN 23 7.610 17.234 -3.248 196 1HB ASN 23 2HB ASN 23 4.830 17.093 -3.268 197 2HB ASN 23 1HB ASN 23 5.186 18.418 -2.166 198 1HD2 ASN 23 1HD2 ASN 23 5.717 17.189 -5.410 199 2HD2 ASN 23 2HD2 ASN 23 6.032 18.723 -6.140 200 H SER 24 H SER 24 5.902 16.655 -0.196 201 HA SER 24 HA SER 24 7.227 18.835 1.134 202 1HB SER 24 2HB SER 24 4.880 17.669 1.607 203 2HB SER 24 1HB SER 24 5.868 16.673 2.678 204 HG SER 24 HG SER 24 5.682 19.507 2.713 205 H VAL 25 H VAL 25 8.331 15.966 0.107 206 HA VAL 25 HA VAL 25 9.810 14.359 0.892 207 HB VAL 25 HB VAL 25 12.052 15.482 1.350 208 1HG1 VAL 25 1HG1 VAL 25 10.767 16.417 -1.195 209 2HG1 VAL 25 2HG1 VAL 25 11.071 14.708 -0.883 210 3HG1 VAL 25 3HG1 VAL 25 12.416 15.848 -0.930 211 1HG2 VAL 25 1HG2 VAL 25 11.962 17.624 1.971 212 2HG2 VAL 25 2HG2 VAL 25 10.291 17.793 1.433 213 3HG2 VAL 25 3HG2 VAL 25 11.612 17.988 0.282 214 H GLY 26 H GLY 26 8.297 14.087 2.865 215 1HA GLY 26 2HA GLY 26 9.599 14.922 5.355 216 2HA GLY 26 1HA GLY 26 7.993 14.222 5.214 217 H ARG 27 H ARG 27 8.481 12.729 6.875 218 HA ARG 27 HA ARG 27 10.617 10.811 6.426 219 1HB ARG 27 2HB ARG 27 8.574 10.668 8.629 220 2HB ARG 27 1HB ARG 27 10.211 10.027 8.611 221 1HG ARG 27 2HG ARG 27 10.846 11.843 9.705 222 2HG ARG 27 1HG ARG 27 10.510 12.771 8.242 223 1HD ARG 27 2HD ARG 27 9.393 13.606 10.336 224 2HD ARG 27 1HD ARG 27 8.317 13.296 8.974 225 HE ARG 27 HE ARG 27 7.657 11.236 10.087 226 1HH1 ARG 27 1HH1 ARG 27 9.362 13.600 11.999 227 2HH1 ARG 27 2HH1 ARG 27 8.755 13.006 13.508 228 1HH2 ARG 27 1HH2 ARG 27 6.853 10.449 12.068 229 2HH2 ARG 27 2HH2 ARG 27 7.328 11.214 13.548 230 H TRP 28 H TRP 28 10.122 8.458 6.675 231 HA TRP 28 HA TRP 28 7.882 7.776 4.937 232 1HB TRP 28 2HB TRP 28 10.285 6.227 5.900 233 2HB TRP 28 1HB TRP 28 8.981 5.481 4.984 234 HD1 TRP 28 HD TRP 28 11.757 8.124 4.592 235 HE1 TRP 28 1HE TRP 28 12.291 8.365 2.087 236 HE3 TRP 28 3HE TRP 28 8.083 5.124 2.686 237 HZ2 TRP 28 2HZ TRP 28 11.289 7.410 -0.373 238 HZ3 TRP 28 3HZ TRP 28 7.940 4.839 0.245 239 HH2 TRP 28 HH TRP 28 9.510 5.960 -1.251 240 H LYS 29 H LYS 29 6.842 5.565 5.457 241 HA LYS 29 HA LYS 29 6.498 5.027 8.286 242 1HB LYS 29 2HB LYS 29 4.624 6.661 6.812 243 2HB LYS 29 1HB LYS 29 3.850 5.175 7.345 244 1HG LYS 29 2HG LYS 29 5.302 6.085 9.551 245 2HG LYS 29 1HG LYS 29 4.542 7.519 8.853 246 1HD LYS 29 2HD LYS 29 2.377 6.561 9.031 247 2HD LYS 29 1HD LYS 29 3.039 4.970 9.409 248 1HE LYS 29 2HE LYS 29 3.383 5.484 11.583 249 2HE LYS 29 1HE LYS 29 3.831 7.152 11.226 250 1HZ LYS 29 1HZ LYS 29 1.465 6.313 12.295 251 2HZ LYS 29 2HZ LYS 29 1.074 6.628 10.680 252 3HZ LYS 29 3HZ LYS 29 1.770 7.839 11.633 253 H GLU 30 H GLU 30 6.408 2.868 8.497 254 HA GLU 30 HA GLU 30 5.441 1.327 6.182 255 1HB GLU 30 2HB GLU 30 7.116 -0.305 7.784 256 2HB GLU 30 1HB GLU 30 7.385 0.253 6.140 257 1HG GLU 30 2HG GLU 30 9.218 1.189 7.015 258 2HG GLU 30 1HG GLU 30 8.104 2.454 7.530 259 H ALA 31 H ALA 31 3.860 -0.072 6.460 260 HA ALA 31 HA ALA 31 3.211 -0.971 9.189 261 1HB ALA 31 1HB ALA 31 1.680 0.840 7.870 262 2HB ALA 31 2HB ALA 31 1.063 -0.294 9.073 263 3HB ALA 31 3HB ALA 31 0.930 -0.671 7.356 264 H THR 32 H THR 32 2.738 -3.135 9.361 265 HA THR 32 HA THR 32 3.259 -4.725 7.002 266 HB THR 32 HB THR 32 2.702 -5.635 9.827 267 HG1 THR 32 1HG THR 32 5.058 -5.160 8.328 268 1HG2 THR 32 1HG2 THR 32 2.102 -7.248 7.934 269 2HG2 THR 32 2HG2 THR 32 3.247 -7.838 9.139 270 3HG2 THR 32 3HG2 THR 32 3.829 -7.290 7.568 271 H ILE 33 H ILE 33 1.777 -5.267 5.672 272 HA ILE 33 HA ILE 33 -0.884 -6.032 6.649 273 HB ILE 33 HB ILE 33 -0.604 -4.822 3.933 274 1HG1 ILE 33 2HG1 ILE 33 -1.432 -2.852 5.901 275 2HG1 ILE 33 1HG1 ILE 33 0.215 -3.398 6.193 276 1HG2 ILE 33 1HG2 ILE 33 -2.682 -5.950 4.893 277 2HG2 ILE 33 2HG2 ILE 33 -2.893 -4.363 4.152 278 3HG2 ILE 33 3HG2 ILE 33 -2.845 -4.517 5.908 279 1HD1 ILE 33 1HD1 ILE 33 -0.200 -2.873 3.397 280 2HD1 ILE 33 2HD1 ILE 33 0.979 -2.181 4.513 281 3HD1 ILE 33 3HD1 ILE 33 -0.631 -1.471 4.378 282 HA PRO 34 HA PRO 34 0.724 -9.747 4.626 283 1HB PRO 34 2HB PRO 34 -2.098 -10.560 5.104 284 2HB PRO 34 1HB PRO 34 -0.608 -11.432 5.462 285 1HG PRO 34 2HG PRO 34 -1.979 -10.269 7.413 286 2HG PRO 34 1HG PRO 34 -0.205 -10.193 7.393 287 1HD PRO 34 2HD PRO 34 -2.204 -8.091 6.659 288 2HD PRO 34 1HD PRO 34 -0.653 -7.927 7.510 289 H GLY 35 H GLY 35 0.784 -8.384 2.668 290 1HA GLY 35 2HA GLY 35 0.180 -7.811 0.530 291 2HA GLY 35 1HA GLY 35 -0.373 -9.480 0.459 292 H HIS 36 H HIS 36 -1.719 -6.885 2.447 293 HA HIS 36 HA HIS 36 -3.796 -5.966 2.559 294 1HB HIS 36 2HB HIS 36 -2.980 -5.730 -0.095 295 2HB HIS 36 1HB HIS 36 -4.614 -6.373 -0.203 296 HD2 HIS 36 2HD HIS 36 -6.289 -4.730 1.836 297 HE1 HIS 36 1HE HIS 36 -4.362 -1.289 0.302 298 HE2 HIS 36 2HE HIS 36 -6.256 -2.138 1.758 299 H LEU 37 H LEU 37 -4.891 -7.410 3.798 300 HA LEU 37 HA LEU 37 -5.861 -9.904 2.831 301 1HB LEU 37 2HB LEU 37 -7.241 -9.794 4.996 302 2HB LEU 37 1HB LEU 37 -5.495 -9.885 5.118 303 HG LEU 37 HG LEU 37 -6.637 -7.159 5.110 304 1HD1 LEU 37 1HD1 LEU 37 -7.776 -9.124 6.784 305 2HD1 LEU 37 2HD1 LEU 37 -8.012 -7.376 6.833 306 3HD1 LEU 37 3HD1 LEU 37 -6.730 -8.120 7.789 307 1HD2 LEU 37 1HD2 LEU 37 -4.379 -8.653 6.341 308 2HD2 LEU 37 2HD2 LEU 37 -4.967 -7.199 7.149 309 3HD2 LEU 37 3HD2 LEU 37 -4.384 -7.111 5.487 310 H ASN 38 H ASN 38 -7.230 -6.685 3.090 311 HA ASN 38 HA ASN 38 -9.335 -7.369 1.275 312 1HB ASN 38 2HB ASN 38 -9.872 -7.261 4.183 313 2HB ASN 38 1HB ASN 38 -11.012 -6.390 3.161 314 1HD2 ASN 38 1HD2 ASN 38 -10.745 -9.123 4.723 315 2HD2 ASN 38 2HD2 ASN 38 -11.550 -10.217 3.654 316 H SER 39 H SER 39 -9.728 -4.967 3.801 317 HA SER 39 HA SER 39 -9.075 -2.864 1.845 318 1HB SER 39 2HB SER 39 -10.876 -1.575 3.333 319 2HB SER 39 1HB SER 39 -11.348 -2.552 1.942 320 HG SER 39 HG SER 39 -12.607 -3.117 3.719 321 H TYR 40 H TYR 40 -7.521 -1.531 2.482 322 HA TYR 40 HA TYR 40 -7.091 -1.145 5.369 323 1HB TYR 40 2HB TYR 40 -5.389 -2.670 4.280 324 2HB TYR 40 1HB TYR 40 -4.869 -1.283 3.329 325 HD1 TYR 40 1HD TYR 40 -3.332 0.255 4.203 326 HD2 TYR 40 2HD TYR 40 -5.241 -2.504 6.819 327 HE1 TYR 40 1HE TYR 40 -1.828 0.946 6.021 328 HE2 TYR 40 2HE TYR 40 -3.741 -1.821 8.644 329 HH TYR 40 HH TYR 40 -1.031 -0.507 8.402 330 H THR 41 H THR 41 -7.341 0.905 5.923 331 HA THR 41 HA THR 41 -7.054 2.986 3.880 332 HB THR 41 HB THR 41 -9.170 2.901 5.185 333 HG1 THR 41 1HG THR 41 -8.422 4.900 4.325 334 1HG2 THR 41 1HG2 THR 41 -8.663 4.086 7.572 335 2HG2 THR 41 2HG2 THR 41 -7.261 3.026 7.426 336 3HG2 THR 41 3HG2 THR 41 -8.889 2.350 7.358 337 H ILE 42 H ILE 42 -5.754 4.809 4.187 338 HA ILE 42 HA ILE 42 -3.653 4.457 6.219 339 HB ILE 42 HB ILE 42 -3.519 6.081 3.675 340 1HG1 ILE 42 2HG1 ILE 42 -1.942 3.582 4.093 341 2HG1 ILE 42 1HG1 ILE 42 -3.640 3.426 3.655 342 1HG2 ILE 42 1HG2 ILE 42 -0.968 5.370 4.649 343 2HG2 ILE 42 2HG2 ILE 42 -1.884 6.011 6.012 344 3HG2 ILE 42 3HG2 ILE 42 -1.688 6.977 4.549 345 1HD1 ILE 42 1HD1 ILE 42 -1.417 4.683 2.092 346 2HD1 ILE 42 2HD1 ILE 42 -3.113 4.983 1.717 347 3HD1 ILE 42 3HD1 ILE 42 -2.469 3.344 1.637 348 H LYS 43 H LYS 43 -3.852 5.710 7.916 349 HA LYS 43 HA LYS 43 -4.832 7.360 9.245 350 1HB LYS 43 2HB LYS 43 -2.965 8.989 7.527 351 2HB LYS 43 1HB LYS 43 -3.363 9.242 9.221 352 1HG LYS 43 2HG LYS 43 -1.814 6.920 8.089 353 2HG LYS 43 1HG LYS 43 -1.149 8.284 8.986 354 1HD LYS 43 2HD LYS 43 -1.396 7.006 10.806 355 2HD LYS 43 1HD LYS 43 -3.122 7.344 10.661 356 1HE LYS 43 2HE LYS 43 -3.591 5.287 9.774 357 2HE LYS 43 1HE LYS 43 -1.990 5.112 9.055 358 1HZ LYS 43 1HZ LYS 43 -1.545 5.160 11.759 359 2HZ LYS 43 2HZ LYS 43 -1.526 3.792 10.763 360 3HZ LYS 43 3HZ LYS 43 -2.940 4.215 11.589 361 H GLY 44 H GLY 44 -4.409 10.186 7.698 362 1HA GLY 44 2HA GLY 44 -6.889 10.209 6.182 363 2HA GLY 44 1HA GLY 44 -6.904 11.140 7.673 364 H LEU 45 H LEU 45 -5.294 10.787 4.548 365 HA LEU 45 HA LEU 45 -3.772 13.169 4.718 366 1HB LEU 45 2HB LEU 45 -4.724 11.750 2.229 367 2HB LEU 45 1HB LEU 45 -3.378 12.865 2.350 368 HG LEU 45 HG LEU 45 -2.390 10.756 2.225 369 1HD1 LEU 45 1HD1 LEU 45 -1.182 10.521 4.217 370 2HD1 LEU 45 2HD1 LEU 45 -2.515 11.142 5.194 371 3HD1 LEU 45 3HD1 LEU 45 -1.618 12.228 4.130 372 1HD2 LEU 45 1HD2 LEU 45 -3.896 9.542 4.468 373 2HD2 LEU 45 2HD2 LEU 45 -3.174 8.792 3.043 374 3HD2 LEU 45 3HD2 LEU 45 -4.695 9.673 2.901 375 H LYS 46 H LYS 46 -4.442 14.273 2.125 376 HA LYS 46 HA LYS 46 -7.159 15.222 2.291 377 1HB LYS 46 2HB LYS 46 -6.645 16.951 3.642 378 2HB LYS 46 1HB LYS 46 -4.920 16.772 3.370 379 1HG LYS 46 2HG LYS 46 -6.439 17.888 1.112 380 2HG LYS 46 1HG LYS 46 -6.378 18.890 2.564 381 1HD LYS 46 2HD LYS 46 -3.925 18.700 2.568 382 2HD LYS 46 1HD LYS 46 -4.009 17.738 1.091 383 1HE LYS 46 2HE LYS 46 -4.237 19.549 -0.190 384 2HE LYS 46 1HE LYS 46 -5.469 20.237 0.867 385 1HZ LYS 46 1HZ LYS 46 -3.951 21.713 1.479 386 2HZ LYS 46 2HZ LYS 46 -2.717 20.902 0.654 387 3HZ LYS 46 3HZ LYS 46 -3.097 20.469 2.244 388 HA PRO 47 HA PRO 47 -6.645 15.285 -2.096 389 1HB PRO 47 2HB PRO 47 -8.557 17.558 -2.042 390 2HB PRO 47 1HB PRO 47 -8.654 16.025 -2.917 391 1HG PRO 47 2HG PRO 47 -10.167 16.463 -0.770 392 2HG PRO 47 1HG PRO 47 -9.446 14.870 -1.069 393 1HD PRO 47 2HD PRO 47 -8.599 17.005 0.847 394 2HD PRO 47 1HD PRO 47 -8.621 15.241 1.060 395 H GLY 48 H GLY 48 -4.670 16.077 -2.655 396 1HA GLY 48 2HA GLY 48 -3.990 18.144 -4.005 397 2HA GLY 48 1HA GLY 48 -4.269 18.994 -2.493 398 H VAL 49 H VAL 49 -3.126 16.113 -1.528 399 HA VAL 49 HA VAL 49 -0.370 17.128 -1.414 400 HB VAL 49 HB VAL 49 -1.782 15.113 0.340 401 1HG1 VAL 49 1HG1 VAL 49 0.962 15.292 -0.213 402 2HG1 VAL 49 2HG1 VAL 49 0.181 14.381 1.079 403 3HG1 VAL 49 3HG1 VAL 49 0.736 16.029 1.373 404 1HG2 VAL 49 1HG2 VAL 49 -2.468 16.943 1.409 405 2HG2 VAL 49 2HG2 VAL 49 -1.413 17.987 0.458 406 3HG2 VAL 49 3HG2 VAL 49 -0.790 17.175 1.895 407 H VAL 50 H VAL 50 1.010 16.240 -2.800 408 HA VAL 50 HA VAL 50 0.438 13.682 -4.023 409 HB VAL 50 HB VAL 50 1.319 15.340 -5.496 410 1HG1 VAL 50 1HG1 VAL 50 3.946 15.826 -4.759 411 2HG1 VAL 50 2HG1 VAL 50 3.038 15.955 -3.253 412 3HG1 VAL 50 3HG1 VAL 50 2.591 16.948 -4.639 413 1HG2 VAL 50 1HG2 VAL 50 2.425 12.836 -5.227 414 2HG2 VAL 50 2HG2 VAL 50 3.835 13.887 -5.332 415 3HG2 VAL 50 3HG2 VAL 50 2.621 13.912 -6.610 416 H TYR 51 H TYR 51 0.990 11.840 -3.096 417 HA TYR 51 HA TYR 51 3.268 11.809 -1.237 418 1HB TYR 51 2HB TYR 51 0.634 10.537 -1.248 419 2HB TYR 51 1HB TYR 51 1.940 9.417 -0.892 420 HD1 TYR 51 1HD TYR 51 -0.127 12.080 0.369 421 HD2 TYR 51 2HD TYR 51 3.466 9.905 1.050 422 HE1 TYR 51 1HE TYR 51 -0.110 12.851 2.704 423 HE2 TYR 51 2HE TYR 51 3.495 10.672 3.385 424 HH TYR 51 HH TYR 51 2.031 11.535 5.060 425 H GLU 52 H GLU 52 4.350 9.642 -1.084 426 HA GLU 52 HA GLU 52 4.699 8.432 -3.747 427 1HB GLU 52 2HB GLU 52 6.653 9.779 -3.337 428 2HB GLU 52 1HB GLU 52 6.807 9.155 -1.700 429 1HG GLU 52 2HG GLU 52 8.343 7.810 -2.605 430 2HG GLU 52 1HG GLU 52 6.952 6.864 -3.132 431 H GLY 53 H GLY 53 4.472 6.252 -3.770 432 1HA GLY 53 2HA GLY 53 4.732 4.839 -1.202 433 2HA GLY 53 1HA GLY 53 3.269 4.653 -2.152 434 H GLN 54 H GLN 54 5.519 2.841 -1.254 435 HA GLN 54 HA GLN 54 5.912 1.551 -3.862 436 1HB GLN 54 2HB GLN 54 8.073 0.845 -2.133 437 2HB GLN 54 1HB GLN 54 8.139 1.643 -3.698 438 1HG GLN 54 2HG GLN 54 7.649 3.798 -2.428 439 2HG GLN 54 1HG GLN 54 8.032 2.881 -0.971 440 1HE2 GLN 54 1HE2 GLN 54 10.148 1.576 -1.231 441 2HE2 GLN 54 2HE2 GLN 54 11.485 2.462 -1.874 442 H LEU 55 H LEU 55 5.575 -0.640 -3.876 443 HA LEU 55 HA LEU 55 4.537 -1.772 -1.383 444 1HB LEU 55 2HB LEU 55 4.111 -2.303 -4.282 445 2HB LEU 55 1HB LEU 55 3.963 -3.662 -3.193 446 HG LEU 55 HG LEU 55 1.876 -2.213 -3.920 447 1HD1 LEU 55 1HD1 LEU 55 2.447 -4.011 -1.822 448 2HD1 LEU 55 2HD1 LEU 55 0.882 -3.630 -2.546 449 3HD1 LEU 55 3HD1 LEU 55 1.449 -2.720 -1.142 450 1HD2 LEU 55 1HD2 LEU 55 2.563 -0.814 -1.357 451 2HD2 LEU 55 2HD2 LEU 55 1.306 -0.429 -2.531 452 3HD2 LEU 55 3HD2 LEU 55 3.000 -0.140 -2.926 453 H ILE 56 H ILE 56 6.154 -2.706 -0.210 454 HA ILE 56 HA ILE 56 7.930 -4.558 -1.664 455 HB ILE 56 HB ILE 56 8.574 -3.248 0.980 456 1HG1 ILE 56 2HG1 ILE 56 10.367 -2.127 -0.609 457 2HG1 ILE 56 1HG1 ILE 56 9.152 -2.429 -1.846 458 1HG2 ILE 56 1HG2 ILE 56 10.924 -4.046 -0.028 459 2HG2 ILE 56 2HG2 ILE 56 9.870 -5.246 -0.780 460 3HG2 ILE 56 3HG2 ILE 56 9.911 -5.085 0.977 461 1HD1 ILE 56 1HD1 ILE 56 7.677 -0.922 -0.954 462 2HD1 ILE 56 2HD1 ILE 56 9.223 -0.158 -0.583 463 3HD1 ILE 56 3HD1 ILE 56 8.357 -1.050 0.668 464 H SER 57 H SER 57 7.291 -6.543 -1.349 465 HA SER 57 HA SER 57 5.915 -7.249 1.131 466 1HB SER 57 2HB SER 57 5.324 -7.636 -1.554 467 2HB SER 57 1HB SER 57 5.838 -9.228 -0.983 468 HG SER 57 HG SER 57 3.704 -9.127 -0.523 469 H ILE 58 H ILE 58 6.690 -8.717 2.498 470 HA ILE 58 HA ILE 58 9.151 -10.141 1.738 471 HB ILE 58 HB ILE 58 8.299 -9.409 4.537 472 1HG1 ILE 58 2HG1 ILE 58 10.156 -8.036 2.590 473 2HG1 ILE 58 1HG1 ILE 58 8.756 -7.358 3.407 474 1HG2 ILE 58 1HG2 ILE 58 11.091 -9.847 4.217 475 2HG2 ILE 58 2HG2 ILE 58 10.223 -11.216 3.522 476 3HG2 ILE 58 3HG2 ILE 58 9.938 -10.749 5.200 477 1HD1 ILE 58 1HD1 ILE 58 11.257 -8.238 4.823 478 2HD1 ILE 58 2HD1 ILE 58 9.898 -7.342 5.502 479 3HD1 ILE 58 3HD1 ILE 58 10.938 -6.585 4.296 480 H GLN 59 H GLN 59 9.120 -12.272 1.707 481 HA GLN 59 HA GLN 59 6.783 -13.677 2.782 482 1HB GLN 59 2HB GLN 59 8.503 -14.022 0.469 483 2HB GLN 59 1HB GLN 59 8.403 -15.505 1.408 484 1HG GLN 59 2HG GLN 59 5.799 -14.333 1.093 485 2HG GLN 59 1HG GLN 59 6.578 -14.550 -0.471 486 1HE2 GLN 59 1HE2 GLN 59 5.558 -16.272 -1.278 487 2HE2 GLN 59 2HE2 GLN 59 5.467 -17.820 -0.517 488 H GLN 60 H GLN 60 7.554 -16.107 3.396 489 HA GLN 60 HA GLN 60 9.006 -15.811 5.811 490 1HB GLN 60 2HB GLN 60 8.841 -18.264 5.978 491 2HB GLN 60 1HB GLN 60 7.296 -17.530 5.574 492 1HG GLN 60 2HG GLN 60 7.477 -18.216 3.302 493 2HG GLN 60 1HG GLN 60 9.143 -18.743 3.537 494 1HE2 GLN 60 1HE2 GLN 60 6.518 -20.084 2.755 495 2HE2 GLN 60 2HE2 GLN 60 6.466 -21.491 3.756 496 H TYR 61 H TYR 61 9.949 -16.251 2.586 497 HA TYR 61 HA TYR 61 12.602 -17.262 3.335 498 1HB TYR 61 2HB TYR 61 11.335 -18.438 1.530 499 2HB TYR 61 1HB TYR 61 11.398 -16.962 0.576 500 HD1 TYR 61 1HD TYR 61 13.072 -16.769 -0.996 501 HD2 TYR 61 2HD TYR 61 13.720 -19.274 2.381 502 HE1 TYR 61 1HE TYR 61 15.236 -17.458 -1.931 503 HE2 TYR 61 2HE TYR 61 15.889 -19.969 1.455 504 HH TYR 61 HH TYR 61 17.173 -19.978 -0.423 505 H GLY 62 H GLY 62 11.035 -14.382 2.845 506 1HA GLY 62 2HA GLY 62 12.566 -12.431 3.222 507 2HA GLY 62 1HA GLY 62 13.501 -13.067 1.877 508 H HIS 63 H HIS 63 12.739 -10.510 1.682 509 HA HIS 63 HA HIS 63 10.209 -10.015 0.559 510 1HB HIS 63 2HB HIS 63 11.431 -7.986 -0.470 511 2HB HIS 63 1HB HIS 63 11.354 -8.106 1.284 512 HD2 HIS 63 2HD HIS 63 13.681 -6.546 1.440 513 HE1 HIS 63 1HE HIS 63 16.187 -9.590 -0.097 514 HE2 HIS 63 2HE HIS 63 16.116 -7.264 0.910 515 H GLN 64 H GLN 64 9.428 -10.055 -1.510 516 HA GLN 64 HA GLN 64 11.239 -10.722 -3.697 517 1HB GLN 64 2HB GLN 64 8.788 -12.347 -3.725 518 2HB GLN 64 1HB GLN 64 10.430 -12.776 -4.176 519 1HG GLN 64 2HG GLN 64 10.100 -12.400 -1.310 520 2HG GLN 64 1HG GLN 64 9.072 -13.672 -1.969 521 1HE2 GLN 64 1HE2 GLN 64 10.356 -15.135 -0.708 522 2HE2 GLN 64 2HE2 GLN 64 11.887 -15.675 -1.301 523 H GLU 65 H GLU 65 9.037 -8.645 -2.682 524 HA GLU 65 HA GLU 65 8.048 -8.184 -5.395 525 1HB GLU 65 2HB GLU 65 6.424 -9.331 -3.489 526 2HB GLU 65 1HB GLU 65 6.011 -7.626 -3.375 527 1HG GLU 65 2HG GLU 65 4.741 -7.798 -5.170 528 2HG GLU 65 1HG GLU 65 6.129 -8.322 -6.123 529 H VAL 66 H VAL 66 8.680 -6.215 -5.936 530 HA VAL 66 HA VAL 66 8.249 -4.044 -4.020 531 HB VAL 66 HB VAL 66 10.508 -4.247 -3.662 532 1HG1 VAL 66 1HG1 VAL 66 10.947 -4.834 -6.583 533 2HG1 VAL 66 2HG1 VAL 66 10.825 -6.047 -5.306 534 3HG1 VAL 66 3HG1 VAL 66 12.157 -4.889 -5.299 535 1HG2 VAL 66 1HG2 VAL 66 11.552 -2.364 -4.611 536 2HG2 VAL 66 2HG2 VAL 66 9.829 -1.987 -4.600 537 3HG2 VAL 66 3HG2 VAL 66 10.613 -2.491 -6.098 538 H THR 67 H THR 67 7.182 -2.387 -4.895 539 HA THR 67 HA THR 67 7.433 -1.875 -7.776 540 HB THR 67 HB THR 67 4.738 -1.750 -6.436 541 HG1 THR 67 1HG THR 67 5.708 -3.940 -6.444 542 1HG2 THR 67 1HG2 THR 67 4.747 -0.530 -8.449 543 2HG2 THR 67 2HG2 THR 67 4.055 -2.095 -8.878 544 3HG2 THR 67 3HG2 THR 67 5.737 -1.734 -9.273 545 H ARG 68 H ARG 68 7.671 0.234 -8.251 546 HA ARG 68 HA ARG 68 7.244 2.167 -6.075 547 1HB ARG 68 2HB ARG 68 9.011 2.426 -8.513 548 2HB ARG 68 1HB ARG 68 8.890 3.582 -7.194 549 1HG ARG 68 2HG ARG 68 9.680 1.731 -5.667 550 2HG ARG 68 1HG ARG 68 10.049 0.812 -7.128 551 1HD ARG 68 2HD ARG 68 12.075 1.818 -6.707 552 2HD ARG 68 1HD ARG 68 11.339 2.978 -7.812 553 HE ARG 68 HE ARG 68 10.594 3.949 -5.435 554 1HH1 ARG 68 1HH1 ARG 68 13.690 2.857 -6.607 555 2HH1 ARG 68 2HH1 ARG 68 14.594 3.938 -5.601 556 1HH2 ARG 68 1HH2 ARG 68 11.779 5.371 -4.105 557 2HH2 ARG 68 2HH2 ARG 68 13.510 5.365 -4.179 558 H PHE 69 H PHE 69 5.686 3.634 -6.262 559 HA PHE 69 HA PHE 69 4.941 4.729 -8.823 560 1HB PHE 69 2HB PHE 69 2.552 4.139 -8.626 561 2HB PHE 69 1HB PHE 69 3.577 2.727 -8.848 562 HD1 PHE 69 1HD PHE 69 3.970 1.175 -6.988 563 HD2 PHE 69 2HD PHE 69 1.304 4.473 -6.626 564 HE1 PHE 69 1HE PHE 69 2.971 0.144 -4.988 565 HE2 PHE 69 2HE PHE 69 0.302 3.450 -4.626 566 HZ PHE 69 HZ PHE 69 1.135 1.284 -3.805 567 H ASP 70 H ASP 70 4.260 6.761 -8.665 568 HA ASP 70 HA ASP 70 3.957 7.876 -5.977 569 1HB ASP 70 2HB ASP 70 3.979 10.083 -7.358 570 2HB ASP 70 1HB ASP 70 5.483 9.185 -7.176 571 H PHE 71 H PHE 71 2.082 8.888 -5.294 572 HA PHE 71 HA PHE 71 -0.152 9.028 -7.177 573 1HB PHE 71 2HB PHE 71 -1.623 7.790 -5.678 574 2HB PHE 71 1HB PHE 71 -0.226 6.803 -6.121 575 HD1 PHE 71 1HD PHE 71 -1.959 8.519 -3.400 576 HD2 PHE 71 2HD PHE 71 1.520 6.318 -4.496 577 HE1 PHE 71 1HE PHE 71 -1.449 8.137 -1.018 578 HE2 PHE 71 2HE PHE 71 2.030 5.934 -2.119 579 HZ PHE 71 HZ PHE 71 0.545 6.843 -0.380 580 H THR 72 H THR 72 -1.671 10.574 -6.724 581 HA THR 72 HA THR 72 -1.005 12.403 -4.519 582 HB THR 72 HB THR 72 -2.466 14.037 -5.764 583 HG1 THR 72 1HG THR 72 -2.997 13.508 -7.908 584 1HG2 THR 72 1HG2 THR 72 -0.765 14.691 -7.265 585 2HG2 THR 72 2HG2 THR 72 -0.213 13.031 -7.488 586 3HG2 THR 72 3HG2 THR 72 0.068 13.855 -5.955 587 H THR 73 H THR 73 -2.416 12.801 -2.915 588 HA THR 73 HA THR 73 -4.223 12.625 -1.552 589 HB THR 73 HB THR 73 -5.794 12.163 -4.095 590 HG1 THR 73 1HG THR 73 -4.808 14.462 -2.820 591 1HG2 THR 73 1HG2 THR 73 -7.451 11.733 -2.644 592 2HG2 THR 73 2HG2 THR 73 -7.410 13.461 -2.290 593 3HG2 THR 73 3HG2 THR 73 -6.520 12.329 -1.270 594 H THR 74 H THR 74 -5.292 11.069 -0.375 595 HA THR 74 HA THR 74 -5.711 8.425 -1.476 596 HB THR 74 HB THR 74 -3.753 7.577 -0.806 597 HG1 THR 74 1HG THR 74 -3.726 6.900 1.302 598 1HG2 THR 74 1HG2 THR 74 -3.450 10.225 0.531 599 2HG2 THR 74 2HG2 THR 74 -2.438 9.457 -0.693 600 3HG2 THR 74 3HG2 THR 74 -2.354 8.919 0.984 601 H SER 75 H SER 75 -6.318 10.880 0.765 602 HA SER 75 HA SER 75 -7.656 9.344 2.763 603 1HB SER 75 2HB SER 75 -7.930 11.324 3.856 604 2HB SER 75 1HB SER 75 -6.730 11.886 2.693 605 HG SER 75 HG SER 75 -9.227 12.724 3.011 606 H THR 76 H THR 76 -10.050 10.043 3.265 607 HA THR 76 HA THR 76 -11.589 9.734 0.769 608 HB THR 76 HB THR 76 -11.638 7.691 2.138 609 HG1 THR 76 1HG THR 76 -13.645 7.478 1.514 610 1HG2 THR 76 1HG2 THR 76 -13.116 9.268 4.233 611 2HG2 THR 76 2HG2 THR 76 -11.382 8.958 4.328 612 3HG2 THR 76 3HG2 THR 76 -12.521 7.612 4.327 613 H SER 77 H SER 77 -10.823 11.983 2.900 614 HA SER 77 HA SER 77 -11.754 13.906 3.680 615 1HB SER 77 2HB SER 77 -12.518 13.701 1.099 616 2HB SER 77 1HB SER 77 -14.101 13.737 1.875 617 HG SER 77 HG SER 77 -13.137 15.642 3.046 618 H THR 78 H THR 78 -12.266 12.903 5.698 619 HA THR 78 HA THR 78 -15.137 12.877 6.211 620 HB THR 78 HB THR 78 -13.397 10.619 7.207 621 HG1 THR 78 1HG THR 78 -15.257 9.756 5.519 622 1HG2 THR 78 1HG2 THR 78 -15.345 9.683 8.085 623 2HG2 THR 78 2HG2 THR 78 -16.394 10.680 7.079 624 3HG2 THR 78 3HG2 THR 78 -15.532 11.400 8.439 625 HA PRO 79 HA PRO 79 -12.978 15.199 9.506 626 1HB PRO 79 2HB PRO 79 -15.540 16.584 9.762 627 2HB PRO 79 1HB PRO 79 -13.953 17.241 9.353 628 1HG PRO 79 2HG PRO 79 -15.965 17.078 7.554 629 2HG PRO 79 1HG PRO 79 -14.258 16.933 7.096 630 1HD PRO 79 2HD PRO 79 -16.306 14.781 7.494 631 2HD PRO 79 1HD PRO 79 -15.064 14.935 6.231 632 H GLY 80 H GLY 80 -13.463 15.476 11.801 633 1HA GLY 80 2HA GLY 80 -15.729 14.544 13.108 634 2HA GLY 80 1HA GLY 80 -14.663 13.160 12.921 635 H SER 81 H SER 81 -12.189 14.211 13.331 636 HA SER 81 HA SER 81 -12.374 15.321 16.054 637 1HB SER 81 2HB SER 81 -10.041 14.053 16.226 638 2HB SER 81 1HB SER 81 -11.566 13.223 16.536 639 HG SER 81 HG SER 81 -10.973 13.187 13.903 640 H ARG 82 H ARG 82 -10.523 16.581 16.763 641 HA ARG 82 HA ARG 82 -9.105 17.865 14.524 642 1HB ARG 82 2HB ARG 82 -9.109 19.820 16.391 643 2HB ARG 82 1HB ARG 82 -10.320 19.675 15.127 644 1HG ARG 82 2HG ARG 82 -11.058 18.065 17.385 645 2HG ARG 82 1HG ARG 82 -10.730 19.724 17.891 646 1HD ARG 82 2HD ARG 82 -13.037 19.603 17.325 647 2HD ARG 82 1HD ARG 82 -12.227 20.490 16.035 648 HE ARG 82 HE ARG 82 -13.080 17.674 15.842 649 1HH1 ARG 82 1HH1 ARG 82 -12.402 20.776 14.405 650 2HH1 ARG 82 2HH1 ARG 82 -12.909 20.296 12.820 651 1HH2 ARG 82 1HH2 ARG 82 -13.745 17.034 13.758 652 2HH2 ARG 82 2HH2 ARG 82 -13.672 18.169 12.452 653 H SER 83 H SER 83 -8.976 16.759 17.851 654 HA SER 83 HA SER 83 -6.334 17.621 18.406 655 1HB SER 83 2HB SER 83 -6.835 15.308 19.938 656 2HB SER 83 1HB SER 83 -7.025 16.987 20.442 657 HG SER 83 HG SER 83 -9.173 16.851 19.499 658 H HIS 84 H HIS 84 -4.378 16.568 18.237 659 HA HIS 84 HA HIS 84 -4.330 13.902 17.049 660 1HB HIS 84 2HB HIS 84 -3.975 16.201 15.490 661 2HB HIS 84 1HB HIS 84 -2.353 15.567 15.750 662 HD2 HIS 84 2HD HIS 84 -2.194 12.702 15.046 663 HE1 HIS 84 1HE HIS 84 -5.189 13.221 12.100 664 HE2 HIS 84 2HE HIS 84 -3.479 11.619 13.071 665 H HIS 85 H HIS 85 -3.484 13.169 19.005 666 HA HIS 85 HA HIS 85 -1.908 12.696 20.577 667 1HB HIS 85 2HB HIS 85 -0.752 12.466 18.060 668 2HB HIS 85 1HB HIS 85 0.423 13.399 18.980 669 HD2 HIS 85 2HD HIS 85 -1.028 9.823 18.769 670 HE1 HIS 85 1HE HIS 85 1.973 9.897 21.754 671 HE2 HIS 85 2HE HIS 85 0.557 8.413 20.262 672 H HIS 86 H HIS 86 -2.420 14.456 21.950 673 HA HIS 86 HA HIS 86 -0.290 16.471 22.054 674 1HB HIS 86 2HB HIS 86 -3.025 16.992 21.451 675 2HB HIS 86 1HB HIS 86 -2.686 17.656 23.047 676 HD2 HIS 86 2HD HIS 86 -3.124 20.074 21.366 677 HE1 HIS 86 1HE HIS 86 0.939 19.986 20.185 678 HE2 HIS 86 2HE HIS 86 -1.117 21.444 20.459 679 H HIS 87 H HIS 87 -3.167 16.300 24.081 680 HA HIS 87 HA HIS 87 -1.906 14.841 26.188 681 1HB HIS 87 2HB HIS 87 -1.651 16.600 27.805 682 2HB HIS 87 1HB HIS 87 -0.764 17.061 26.357 683 HD2 HIS 87 2HD HIS 87 -3.037 18.522 24.642 684 HE1 HIS 87 1HE HIS 87 -3.708 20.783 28.157 685 HE2 HIS 87 2HE HIS 87 -3.919 20.753 25.630 686 H HIS 88 H HIS 88 -3.269 14.784 28.166 687 HA HIS 88 HA HIS 88 -5.978 15.730 27.975 688 1HB HIS 88 2HB HIS 88 -6.906 13.355 28.183 689 2HB HIS 88 1HB HIS 88 -6.357 13.858 26.588 690 HD2 HIS 88 2HD HIS 88 -4.328 12.394 25.506 691 HE1 HIS 88 1HE HIS 88 -3.768 9.867 28.855 692 HE2 HIS 88 2HE HIS 88 -3.006 10.392 26.494 693 H HIS 89 H HIS 89 -7.034 15.707 29.938 694 HA HIS 89 HA HIS 89 -6.070 14.179 32.168 695 1HB HIS 89 2HB HIS 89 -4.647 16.447 31.773 696 2HB HIS 89 1HB HIS 89 -5.952 17.073 32.776 697 HD2 HIS 89 2HD HIS 89 -2.579 15.642 33.243 698 HE1 HIS 89 1HE HIS 89 -4.739 14.582 36.727 699 HE2 HIS 89 2HE HIS 89 -2.431 14.909 35.728 Start of MODEL 7 1 1H MET 1 1HT MET 1 -18.417 -9.499 -0.589 2 2H MET 1 2HT MET 1 -17.299 -8.274 -0.256 3 3H MET 1 3HT MET 1 -16.765 -9.774 -0.825 4 HA MET 1 HA MET 1 -18.628 -8.817 -2.656 5 1HB MET 1 2HB MET 1 -17.548 -6.698 -3.309 6 2HB MET 1 1HB MET 1 -18.234 -6.613 -1.692 7 1HG MET 1 2HG MET 1 -15.636 -7.441 -1.261 8 2HG MET 1 1HG MET 1 -15.499 -6.270 -2.571 9 1HE MET 1 1HE MET 1 -14.071 -5.146 0.346 10 2HE MET 1 2HE MET 1 -14.570 -3.604 -0.350 11 3HE MET 1 3HE MET 1 -14.069 -4.927 -1.404 12 H ARG 2 H ARG 2 -15.439 -9.640 -1.619 13 HA ARG 2 HA ARG 2 -14.869 -10.702 -4.288 14 1HB ARG 2 2HB ARG 2 -12.997 -8.980 -2.659 15 2HB ARG 2 1HB ARG 2 -12.483 -9.947 -4.035 16 1HG ARG 2 2HG ARG 2 -14.239 -8.666 -5.371 17 2HG ARG 2 1HG ARG 2 -14.290 -7.555 -4.001 18 1HD ARG 2 2HD ARG 2 -11.813 -7.291 -4.232 19 2HD ARG 2 1HD ARG 2 -11.908 -8.238 -5.717 20 HE ARG 2 HE ARG 2 -13.636 -6.336 -6.290 21 1HH1 ARG 2 1HH1 ARG 2 -10.538 -6.073 -4.719 22 2HH1 ARG 2 2HH1 ARG 2 -10.230 -4.473 -5.308 23 1HH2 ARG 2 1HH2 ARG 2 -13.240 -4.230 -7.072 24 2HH2 ARG 2 2HH2 ARG 2 -11.767 -3.425 -6.647 25 H GLY 3 H GLY 3 -15.292 -12.772 -3.505 26 1HA GLY 3 2HA GLY 3 -13.665 -14.626 -2.924 27 2HA GLY 3 1HA GLY 3 -13.443 -13.747 -1.419 28 H SER 4 H SER 4 -15.387 -15.975 -3.157 29 HA SER 4 HA SER 4 -17.075 -16.313 -0.776 30 1HB SER 4 2HB SER 4 -18.372 -16.924 -3.357 31 2HB SER 4 1HB SER 4 -19.033 -16.157 -1.915 32 HG SER 4 HG SER 4 -17.240 -14.869 -3.693 33 H ASN 5 H ASN 5 -15.837 -18.069 -0.126 34 HA ASN 5 HA ASN 5 -15.155 -20.233 -0.002 35 1HB ASN 5 2HB ASN 5 -17.606 -20.629 -1.731 36 2HB ASN 5 1HB ASN 5 -16.734 -21.924 -0.917 37 1HD2 ASN 5 1HD2 ASN 5 -19.120 -22.044 -0.182 38 2HD2 ASN 5 2HD2 ASN 5 -19.464 -21.258 1.319 39 H ALA 6 H ALA 6 -13.280 -19.507 -1.305 40 HA ALA 6 HA ALA 6 -13.083 -21.142 -3.729 41 1HB ALA 6 1HB ALA 6 -13.545 -18.892 -4.520 42 2HB ALA 6 2HB ALA 6 -11.886 -19.349 -4.907 43 3HB ALA 6 3HB ALA 6 -12.209 -18.260 -3.558 44 HA PRO 7 HA PRO 7 -9.390 -22.416 -1.576 45 1HB PRO 7 2HB PRO 7 -8.242 -23.787 -3.644 46 2HB PRO 7 1HB PRO 7 -9.545 -24.437 -2.643 47 1HG PRO 7 2HG PRO 7 -9.686 -23.162 -5.347 48 2HG PRO 7 1HG PRO 7 -10.531 -24.600 -4.741 49 1HD PRO 7 2HD PRO 7 -11.745 -22.201 -4.920 50 2HD PRO 7 1HD PRO 7 -12.117 -23.349 -3.617 51 H GLN 8 H GLN 8 -7.848 -20.974 -1.170 52 HA GLN 8 HA GLN 8 -6.407 -19.775 -3.444 53 1HB GLN 8 2HB GLN 8 -7.536 -18.571 -0.987 54 2HB GLN 8 1HB GLN 8 -5.942 -18.000 -1.461 55 1HG GLN 8 2HG GLN 8 -7.181 -17.833 -3.824 56 2HG GLN 8 1HG GLN 8 -8.565 -17.609 -2.753 57 1HE2 GLN 8 1HE2 GLN 8 -7.458 -16.230 -0.679 58 2HE2 GLN 8 2HE2 GLN 8 -6.907 -14.686 -1.222 59 HA PRO 9 HA PRO 9 -2.783 -21.607 -1.677 60 1HB PRO 9 2HB PRO 9 -0.873 -20.146 -2.900 61 2HB PRO 9 1HB PRO 9 -1.854 -21.331 -3.771 62 1HG PRO 9 2HG PRO 9 -2.158 -18.355 -3.635 63 2HG PRO 9 1HG PRO 9 -2.281 -19.429 -5.042 64 1HD PRO 9 2HD PRO 9 -4.452 -18.466 -3.714 65 2HD PRO 9 1HD PRO 9 -4.443 -20.035 -4.546 66 H SER 10 H SER 10 -0.775 -21.008 -0.482 67 HA SER 10 HA SER 10 -1.357 -19.292 1.671 68 1HB SER 10 2HB SER 10 1.393 -20.252 0.859 69 2HB SER 10 1HB SER 10 0.850 -19.799 2.474 70 HG SER 10 HG SER 10 0.471 -21.863 2.644 71 H HIS 11 H HIS 11 -1.144 -17.165 1.902 72 HA HIS 11 HA HIS 11 -0.160 -15.556 -0.246 73 1HB HIS 11 2HB HIS 11 -0.900 -14.651 2.542 74 2HB HIS 11 1HB HIS 11 -0.835 -13.663 1.086 75 HD2 HIS 11 2HD HIS 11 -3.427 -15.174 3.177 76 HE1 HIS 11 1HE HIS 11 -4.972 -15.391 -0.757 77 HE2 HIS 11 2HE HIS 11 -5.483 -15.743 1.701 78 H ILE 12 H ILE 12 1.117 -13.450 0.899 79 HA ILE 12 HA ILE 12 3.769 -14.513 1.278 80 HB ILE 12 HB ILE 12 3.384 -12.500 -0.098 81 1HG1 ILE 12 2HG1 ILE 12 4.991 -11.145 1.848 82 2HG1 ILE 12 1HG1 ILE 12 5.365 -12.866 1.910 83 1HG2 ILE 12 1HG2 ILE 12 2.792 -10.385 0.896 84 2HG2 ILE 12 2HG2 ILE 12 2.730 -11.116 2.500 85 3HG2 ILE 12 3HG2 ILE 12 1.545 -11.573 1.277 86 1HD1 ILE 12 1HD1 ILE 12 6.744 -11.423 0.346 87 2HD1 ILE 12 2HD1 ILE 12 5.308 -11.353 -0.675 88 3HD1 ILE 12 3HD1 ILE 12 6.063 -12.907 -0.321 89 H SER 13 H SER 13 5.162 -13.971 3.060 90 HA SER 13 HA SER 13 4.114 -14.483 5.577 91 1HB SER 13 2HB SER 13 6.458 -14.805 5.238 92 2HB SER 13 1HB SER 13 6.684 -13.126 4.747 93 HG SER 13 HG SER 13 6.260 -14.192 7.313 94 H LYS 14 H LYS 14 4.989 -11.381 4.095 95 HA LYS 14 HA LYS 14 2.902 -9.973 5.370 96 1HB LYS 14 2HB LYS 14 4.252 -8.541 6.863 97 2HB LYS 14 1HB LYS 14 4.246 -10.222 7.374 98 1HG LYS 14 2HG LYS 14 6.454 -10.156 7.434 99 2HG LYS 14 1HG LYS 14 6.459 -9.949 5.682 100 1HD LYS 14 2HD LYS 14 7.072 -7.805 5.841 101 2HD LYS 14 1HD LYS 14 5.872 -7.475 7.093 102 1HE LYS 14 2HE LYS 14 8.510 -8.848 7.585 103 2HE LYS 14 1HE LYS 14 8.232 -7.122 7.816 104 1HZ LYS 14 1HZ LYS 14 7.671 -7.702 9.879 105 2HZ LYS 14 2HZ LYS 14 7.483 -9.337 9.489 106 3HZ LYS 14 3HZ LYS 14 6.215 -8.251 9.215 107 H TYR 15 H TYR 15 2.633 -7.936 4.529 108 HA TYR 15 HA TYR 15 4.496 -7.171 2.388 109 1HB TYR 15 2HB TYR 15 1.869 -7.622 2.141 110 2HB TYR 15 1HB TYR 15 1.797 -5.933 2.630 111 HD1 TYR 15 1HD TYR 15 1.764 -7.980 -0.119 112 HD2 TYR 15 2HD TYR 15 3.689 -4.464 1.303 113 HE1 TYR 15 1HE TYR 15 2.208 -7.294 -2.435 114 HE2 TYR 15 2HE TYR 15 4.139 -3.760 -1.009 115 HH TYR 15 HH TYR 15 4.017 -5.756 -3.584 116 H ILE 16 H ILE 16 5.295 -5.062 2.274 117 HA ILE 16 HA ILE 16 4.779 -3.407 4.657 118 HB ILE 16 HB ILE 16 7.320 -3.749 3.075 119 1HG1 ILE 16 2HG1 ILE 16 7.013 -5.372 4.850 120 2HG1 ILE 16 1HG1 ILE 16 8.256 -4.224 5.335 121 1HG2 ILE 16 1HG2 ILE 16 6.706 -1.636 5.141 122 2HG2 ILE 16 2HG2 ILE 16 6.976 -1.362 3.420 123 3HG2 ILE 16 3HG2 ILE 16 8.291 -1.953 4.436 124 1HD1 ILE 16 1HD1 ILE 16 6.514 -3.018 6.651 125 2HD1 ILE 16 2HD1 ILE 16 6.871 -4.650 7.216 126 3HD1 ILE 16 3HD1 ILE 16 5.407 -4.341 6.282 127 H LEU 17 H LEU 17 3.701 -1.626 4.251 128 HA LEU 17 HA LEU 17 3.828 -0.460 1.556 129 1HB LEU 17 2HB LEU 17 1.591 -1.098 2.309 130 2HB LEU 17 1HB LEU 17 1.782 -0.130 3.755 131 HG LEU 17 HG LEU 17 1.805 1.911 2.424 132 1HD1 LEU 17 1HD1 LEU 17 0.878 0.997 -0.080 133 2HD1 LEU 17 2HD1 LEU 17 2.363 0.120 0.287 134 3HD1 LEU 17 3HD1 LEU 17 2.358 1.884 0.283 135 1HD2 LEU 17 1HD2 LEU 17 -0.516 0.134 1.691 136 2HD2 LEU 17 2HD2 LEU 17 -0.509 1.897 1.720 137 3HD2 LEU 17 3HD2 LEU 17 -0.332 0.989 3.222 138 H ARG 18 H ARG 18 5.180 1.203 1.384 139 HA ARG 18 HA ARG 18 5.491 2.965 3.715 140 1HB ARG 18 2HB ARG 18 7.745 3.453 2.292 141 2HB ARG 18 1HB ARG 18 7.637 2.293 3.608 142 1HG ARG 18 2HG ARG 18 6.833 0.799 1.469 143 2HG ARG 18 1HG ARG 18 8.043 1.863 0.751 144 1HD ARG 18 2HD ARG 18 9.205 1.078 3.127 145 2HD ARG 18 1HD ARG 18 8.371 -0.378 2.581 146 HE ARG 18 HE ARG 18 9.889 0.861 0.499 147 1HH1 ARG 18 1HH1 ARG 18 10.100 -1.249 3.266 148 2HH1 ARG 18 2HH1 ARG 18 11.513 -2.069 2.692 149 1HH2 ARG 18 1HH2 ARG 18 11.749 -0.219 -0.263 150 2HH2 ARG 18 2HH2 ARG 18 12.449 -1.485 0.690 151 H TRP 19 H TRP 19 5.000 5.056 3.477 152 HA TRP 19 HA TRP 19 5.035 6.216 0.805 153 1HB TRP 19 2HB TRP 19 2.845 7.269 1.168 154 2HB TRP 19 1HB TRP 19 2.734 5.519 1.138 155 HD1 TRP 19 HD TRP 19 2.177 8.505 3.356 156 HE1 TRP 19 1HE TRP 19 1.066 7.765 5.557 157 HE3 TRP 19 3HE TRP 19 2.629 3.455 2.818 158 HZ2 TRP 19 2HZ TRP 19 0.464 5.350 6.889 159 HZ3 TRP 19 3HZ TRP 19 1.763 1.994 4.598 160 HH2 TRP 19 HH TRP 19 0.704 2.923 6.592 161 H ARG 20 H ARG 20 5.317 8.391 0.741 162 HA ARG 20 HA ARG 20 5.403 10.012 3.092 163 1HB ARG 20 2HB ARG 20 7.509 9.621 3.720 164 2HB ARG 20 1HB ARG 20 7.783 8.588 2.327 165 1HG ARG 20 2HG ARG 20 7.866 11.274 1.433 166 2HG ARG 20 1HG ARG 20 8.857 11.147 2.886 167 1HD ARG 20 2HD ARG 20 10.369 9.795 1.900 168 2HD ARG 20 1HD ARG 20 9.156 8.972 0.925 169 HE ARG 20 HE ARG 20 9.180 11.218 -0.351 170 1HH1 ARG 20 1HH1 ARG 20 11.931 9.625 1.073 171 2HH1 ARG 20 2HH1 ARG 20 13.060 10.270 -0.070 172 1HH2 ARG 20 1HH2 ARG 20 10.661 12.075 -1.863 173 2HH2 ARG 20 2HH2 ARG 20 12.339 11.662 -1.738 174 HA PRO 21 HA PRO 21 4.632 13.201 0.159 175 1HB PRO 21 2HB PRO 21 6.529 14.920 1.667 176 2HB PRO 21 1HB PRO 21 4.828 15.194 1.275 177 1HG PRO 21 2HG PRO 21 5.543 14.538 3.751 178 2HG PRO 21 1HG PRO 21 4.074 13.861 3.024 179 1HD PRO 21 2HD PRO 21 6.762 12.597 3.399 180 2HD PRO 21 1HD PRO 21 5.144 11.904 3.635 181 H LYS 22 H LYS 22 5.495 12.832 -1.785 182 HA LYS 22 HA LYS 22 8.236 12.503 -2.344 183 1HB LYS 22 2HB LYS 22 5.939 12.002 -3.690 184 2HB LYS 22 1HB LYS 22 6.488 13.441 -4.536 185 1HG LYS 22 2HG LYS 22 8.773 12.028 -4.504 186 2HG LYS 22 1HG LYS 22 7.593 10.714 -4.516 187 1HD LYS 22 2HD LYS 22 7.419 11.001 -6.718 188 2HD LYS 22 1HD LYS 22 6.652 12.556 -6.390 189 1HE LYS 22 2HE LYS 22 8.900 13.599 -6.349 190 2HE LYS 22 1HE LYS 22 9.595 12.045 -6.806 191 1HZ LYS 22 1HZ LYS 22 7.604 13.551 -8.416 192 2HZ LYS 22 2HZ LYS 22 8.369 12.110 -8.862 193 3HZ LYS 22 3HZ LYS 22 9.270 13.533 -8.709 194 H ASN 23 H ASN 23 6.150 15.318 -2.318 195 HA ASN 23 HA ASN 23 8.218 16.989 -3.515 196 1HB ASN 23 2HB ASN 23 5.458 17.077 -3.595 197 2HB ASN 23 1HB ASN 23 5.860 18.364 -2.463 198 1HD2 ASN 23 1HD2 ASN 23 5.983 17.283 -5.730 199 2HD2 ASN 23 2HD2 ASN 23 6.584 18.750 -6.418 200 H SER 24 H SER 24 6.615 16.491 -0.414 201 HA SER 24 HA SER 24 8.126 18.642 0.821 202 1HB SER 24 2HB SER 24 5.643 17.678 1.323 203 2HB SER 24 1HB SER 24 6.574 16.802 2.538 204 HG SER 24 HG SER 24 5.956 18.738 3.432 205 H VAL 25 H VAL 25 8.492 17.517 3.374 206 HA VAL 25 HA VAL 25 11.042 16.388 3.117 207 HB VAL 25 HB VAL 25 10.006 17.602 5.132 208 1HG1 VAL 25 1HG1 VAL 25 9.323 14.849 6.090 209 2HG1 VAL 25 2HG1 VAL 25 8.133 15.827 5.234 210 3HG1 VAL 25 3HG1 VAL 25 8.831 16.412 6.743 211 1HG2 VAL 25 1HG2 VAL 25 11.414 16.090 6.721 212 2HG2 VAL 25 2HG2 VAL 25 12.206 16.980 5.421 213 3HG2 VAL 25 3HG2 VAL 25 11.857 15.262 5.228 214 H GLY 26 H GLY 26 11.699 14.265 4.129 215 1HA GLY 26 2HA GLY 26 10.331 12.147 2.769 216 2HA GLY 26 1HA GLY 26 11.748 11.984 3.795 217 H ARG 27 H ARG 27 11.503 11.052 5.721 218 HA ARG 27 HA ARG 27 10.547 10.024 7.506 219 1HB ARG 27 2HB ARG 27 9.309 12.563 7.283 220 2HB ARG 27 1HB ARG 27 8.063 11.411 7.736 221 1HG ARG 27 2HG ARG 27 9.228 10.786 9.700 222 2HG ARG 27 1HG ARG 27 10.687 11.637 9.184 223 1HD ARG 27 2HD ARG 27 9.715 13.054 10.772 224 2HD ARG 27 1HD ARG 27 9.253 13.750 9.220 225 HE ARG 27 HE ARG 27 7.392 11.952 10.601 226 1HH1 ARG 27 1HH1 ARG 27 8.212 15.125 9.421 227 2HH1 ARG 27 2HH1 ARG 27 6.618 15.763 9.646 228 1HH2 ARG 27 1HH2 ARG 27 5.289 12.783 10.902 229 2HH2 ARG 27 2HH2 ARG 27 4.957 14.432 10.490 230 H TRP 28 H TRP 28 10.272 8.358 5.717 231 HA TRP 28 HA TRP 28 7.822 7.795 4.507 232 1HB TRP 28 2HB TRP 28 10.027 5.938 5.428 233 2HB TRP 28 1HB TRP 28 8.657 5.410 4.460 234 HD1 TRP 28 HD TRP 28 11.760 7.688 4.223 235 HE1 TRP 28 1HE TRP 28 12.388 7.927 1.737 236 HE3 TRP 28 3HE TRP 28 7.792 5.227 2.143 237 HZ2 TRP 28 2HZ TRP 28 11.338 7.172 -0.773 238 HZ3 TRP 28 3HZ TRP 28 7.680 5.029 -0.308 239 HH2 TRP 28 HH TRP 28 9.416 5.983 -1.733 240 H LYS 29 H LYS 29 6.464 5.811 5.038 241 HA LYS 29 HA LYS 29 6.137 5.353 7.918 242 1HB LYS 29 2HB LYS 29 3.605 5.561 6.410 243 2HB LYS 29 1HB LYS 29 3.983 6.075 8.048 244 1HG LYS 29 2HG LYS 29 5.421 7.806 6.409 245 2HG LYS 29 1HG LYS 29 3.853 7.620 5.623 246 1HD LYS 29 2HD LYS 29 3.480 9.388 7.077 247 2HD LYS 29 1HD LYS 29 2.895 8.004 8.004 248 1HE LYS 29 2HE LYS 29 5.121 7.889 9.112 249 2HE LYS 29 1HE LYS 29 5.569 9.371 8.271 250 1HZ LYS 29 1HZ LYS 29 4.782 9.766 10.545 251 2HZ LYS 29 2HZ LYS 29 3.274 9.117 10.138 252 3HZ LYS 29 3HZ LYS 29 3.811 10.538 9.394 253 H GLU 30 H GLU 30 5.704 3.212 8.371 254 HA GLU 30 HA GLU 30 5.179 1.514 6.022 255 1HB GLU 30 2HB GLU 30 6.939 1.034 8.411 256 2HB GLU 30 1HB GLU 30 6.398 -0.278 7.373 257 1HG GLU 30 2HG GLU 30 7.749 0.325 5.666 258 2HG GLU 30 1HG GLU 30 7.632 2.046 6.034 259 H ALA 31 H ALA 31 3.653 0.026 6.071 260 HA ALA 31 HA ALA 31 2.306 -0.632 8.589 261 1HB ALA 31 1HB ALA 31 1.171 1.237 7.110 262 2HB ALA 31 2HB ALA 31 0.205 -0.017 7.890 263 3HB ALA 31 3HB ALA 31 0.614 -0.154 6.180 264 H THR 32 H THR 32 2.302 -2.796 8.764 265 HA THR 32 HA THR 32 2.840 -4.411 6.430 266 HB THR 32 HB THR 32 2.438 -5.289 9.292 267 HG1 THR 32 1HG THR 32 4.952 -5.527 8.474 268 1HG2 THR 32 1HG2 THR 32 3.352 -6.727 6.809 269 2HG2 THR 32 2HG2 THR 32 2.080 -7.191 7.941 270 3HG2 THR 32 3HG2 THR 32 3.774 -7.293 8.425 271 H ILE 33 H ILE 33 1.501 -5.634 5.328 272 HA ILE 33 HA ILE 33 -1.157 -6.236 6.423 273 HB ILE 33 HB ILE 33 -1.013 -5.783 3.499 274 1HG1 ILE 33 2HG1 ILE 33 -1.714 -3.279 4.652 275 2HG1 ILE 33 1HG1 ILE 33 -0.150 -3.745 5.314 276 1HG2 ILE 33 1HG2 ILE 33 -3.019 -6.507 4.910 277 2HG2 ILE 33 2HG2 ILE 33 -3.270 -5.224 3.728 278 3HG2 ILE 33 3HG2 ILE 33 -3.091 -4.825 5.437 279 1HD1 ILE 33 1HD1 ILE 33 0.852 -3.787 3.206 280 2HD1 ILE 33 2HD1 ILE 33 -0.175 -2.354 3.184 281 3HD1 ILE 33 3HD1 ILE 33 -0.700 -3.827 2.371 282 HA PRO 34 HA PRO 34 0.630 -10.236 5.275 283 1HB PRO 34 2HB PRO 34 -1.945 -11.177 6.387 284 2HB PRO 34 1HB PRO 34 -0.300 -11.655 6.808 285 1HG PRO 34 2HG PRO 34 -1.738 -10.123 8.447 286 2HG PRO 34 1HG PRO 34 0.001 -9.843 8.226 287 1HD PRO 34 2HD PRO 34 -2.323 -8.362 7.049 288 2HD PRO 34 1HD PRO 34 -0.800 -7.727 7.709 289 H GLY 35 H GLY 35 0.305 -9.669 3.001 290 1HA GLY 35 2HA GLY 35 -0.536 -10.121 0.917 291 2HA GLY 35 1HA GLY 35 -1.347 -11.491 1.659 292 H HIS 36 H HIS 36 -2.018 -8.304 2.829 293 HA HIS 36 HA HIS 36 -3.884 -7.011 2.814 294 1HB HIS 36 2HB HIS 36 -3.866 -8.097 0.021 295 2HB HIS 36 1HB HIS 36 -5.237 -7.142 0.572 296 HD2 HIS 36 2HD HIS 36 -1.852 -5.937 1.915 297 HE1 HIS 36 1HE HIS 36 -2.927 -3.461 -1.344 298 HE2 HIS 36 2HE HIS 36 -1.424 -3.694 0.685 299 H LEU 37 H LEU 37 -5.279 -7.684 4.303 300 HA LEU 37 HA LEU 37 -6.688 -10.176 4.088 301 1HB LEU 37 2HB LEU 37 -7.979 -8.906 6.104 302 2HB LEU 37 1HB LEU 37 -6.529 -9.860 6.302 303 HG LEU 37 HG LEU 37 -6.543 -7.668 7.507 304 1HD1 LEU 37 1HD1 LEU 37 -4.238 -7.098 6.025 305 2HD1 LEU 37 2HD1 LEU 37 -4.463 -8.845 5.937 306 3HD1 LEU 37 3HD1 LEU 37 -4.370 -8.046 7.506 307 1HD2 LEU 37 1HD2 LEU 37 -7.268 -6.682 4.949 308 2HD2 LEU 37 2HD2 LEU 37 -5.705 -5.990 5.383 309 3HD2 LEU 37 3HD2 LEU 37 -7.085 -5.797 6.462 310 H ASN 38 H ASN 38 -7.352 -6.836 3.407 311 HA ASN 38 HA ASN 38 -9.504 -7.362 1.703 312 1HB ASN 38 2HB ASN 38 -11.416 -6.608 2.953 313 2HB ASN 38 1HB ASN 38 -10.643 -7.886 3.883 314 1HD2 ASN 38 1HD2 ASN 38 -11.944 -4.848 4.021 315 2HD2 ASN 38 2HD2 ASN 38 -11.254 -4.317 5.513 316 H SER 39 H SER 39 -10.928 -4.829 2.492 317 HA SER 39 HA SER 39 -9.204 -3.040 1.053 318 1HB SER 39 2HB SER 39 -12.006 -3.099 1.883 319 2HB SER 39 1HB SER 39 -11.284 -1.498 2.039 320 HG SER 39 HG SER 39 -12.190 -2.555 -0.139 321 H TYR 40 H TYR 40 -7.478 -2.274 2.092 322 HA TYR 40 HA TYR 40 -7.762 -1.396 4.878 323 1HB TYR 40 2HB TYR 40 -5.946 -3.042 4.200 324 2HB TYR 40 1HB TYR 40 -5.186 -1.708 3.338 325 HD1 TYR 40 1HD TYR 40 -6.053 -3.041 6.651 326 HD2 TYR 40 2HD TYR 40 -4.066 0.065 4.529 327 HE1 TYR 40 1HE TYR 40 -4.938 -2.343 8.728 328 HE2 TYR 40 2HE TYR 40 -2.946 0.772 6.601 329 HH TYR 40 HH TYR 40 -3.379 -1.018 9.627 330 H THR 41 H THR 41 -8.162 0.684 5.163 331 HA THR 41 HA THR 41 -7.207 2.616 3.170 332 HB THR 41 HB THR 41 -9.678 2.505 3.925 333 HG1 THR 41 1HG THR 41 -9.812 4.758 3.656 334 1HG2 THR 41 1HG2 THR 41 -9.335 4.429 6.013 335 2HG2 THR 41 2HG2 THR 41 -8.452 2.964 6.436 336 3HG2 THR 41 3HG2 THR 41 -10.175 2.879 6.066 337 H ILE 42 H ILE 42 -6.034 4.459 3.782 338 HA ILE 42 HA ILE 42 -4.716 4.209 6.401 339 HB ILE 42 HB ILE 42 -3.727 5.695 3.963 340 1HG1 ILE 42 2HG1 ILE 42 -2.629 3.115 5.074 341 2HG1 ILE 42 1HG1 ILE 42 -3.863 3.140 3.819 342 1HG2 ILE 42 1HG2 ILE 42 -1.557 5.615 5.260 343 2HG2 ILE 42 2HG2 ILE 42 -2.516 5.129 6.658 344 3HG2 ILE 42 3HG2 ILE 42 -2.800 6.693 5.895 345 1HD1 ILE 42 1HD1 ILE 42 -2.186 4.681 2.574 346 2HD1 ILE 42 2HD1 ILE 42 -1.929 2.937 2.599 347 3HD1 ILE 42 3HD1 ILE 42 -1.008 3.979 3.683 348 H LYS 43 H LYS 43 -5.448 5.547 7.875 349 HA LYS 43 HA LYS 43 -6.656 7.279 8.798 350 1HB LYS 43 2HB LYS 43 -4.611 8.926 7.325 351 2HB LYS 43 1HB LYS 43 -5.322 9.238 8.902 352 1HG LYS 43 2HG LYS 43 -3.477 6.947 8.252 353 2HG LYS 43 1HG LYS 43 -3.005 8.445 9.055 354 1HD LYS 43 2HD LYS 43 -3.404 7.283 10.942 355 2HD LYS 43 1HD LYS 43 -5.094 7.658 10.602 356 1HE LYS 43 2HE LYS 43 -5.240 5.513 9.333 357 2HE LYS 43 1HE LYS 43 -3.606 5.137 9.883 358 1HZ LYS 43 1HZ LYS 43 -4.437 5.320 12.185 359 2HZ LYS 43 2HZ LYS 43 -5.178 4.074 11.315 360 3HZ LYS 43 3HZ LYS 43 -6.006 5.523 11.586 361 H GLY 44 H GLY 44 -6.158 9.991 7.131 362 1HA GLY 44 2HA GLY 44 -8.509 9.608 5.387 363 2HA GLY 44 1HA GLY 44 -8.386 10.990 6.464 364 H LEU 45 H LEU 45 -5.707 11.665 6.103 365 HA LEU 45 HA LEU 45 -4.420 13.012 4.798 366 1HB LEU 45 2HB LEU 45 -5.092 11.602 2.292 367 2HB LEU 45 1HB LEU 45 -3.524 11.994 2.980 368 HG LEU 45 HG LEU 45 -5.255 9.762 4.032 369 1HD1 LEU 45 1HD1 LEU 45 -3.876 8.234 2.748 370 2HD1 LEU 45 2HD1 LEU 45 -3.003 9.591 2.036 371 3HD1 LEU 45 3HD1 LEU 45 -4.713 9.355 1.675 372 1HD2 LEU 45 1HD2 LEU 45 -3.114 10.991 5.170 373 2HD2 LEU 45 2HD2 LEU 45 -2.334 9.682 4.281 374 3HD2 LEU 45 3HD2 LEU 45 -3.588 9.318 5.466 375 H LYS 46 H LYS 46 -4.509 14.153 2.388 376 HA LYS 46 HA LYS 46 -7.156 14.923 1.626 377 1HB LYS 46 2HB LYS 46 -7.409 16.867 2.703 378 2HB LYS 46 1HB LYS 46 -6.174 16.267 3.790 379 1HG LYS 46 2HG LYS 46 -4.896 17.499 1.567 380 2HG LYS 46 1HG LYS 46 -6.134 18.591 2.186 381 1HD LYS 46 2HD LYS 46 -5.065 17.845 4.506 382 2HD LYS 46 1HD LYS 46 -3.656 17.588 3.476 383 1HE LYS 46 2HE LYS 46 -4.705 20.058 2.700 384 2HE LYS 46 1HE LYS 46 -4.788 20.049 4.461 385 1HZ LYS 46 1HZ LYS 46 -2.420 19.830 2.720 386 2HZ LYS 46 2HZ LYS 46 -2.375 19.220 4.298 387 3HZ LYS 46 3HZ LYS 46 -2.685 20.862 4.035 388 HA PRO 47 HA PRO 47 -5.167 15.597 -2.255 389 1HB PRO 47 2HB PRO 47 -7.160 17.760 -2.657 390 2HB PRO 47 1HB PRO 47 -6.822 16.343 -3.654 391 1HG PRO 47 2HG PRO 47 -9.020 16.466 -2.147 392 2HG PRO 47 1HG PRO 47 -8.128 14.945 -2.347 393 1HD PRO 47 2HD PRO 47 -8.167 16.833 -0.028 394 2HD PRO 47 1HD PRO 47 -8.114 15.058 -0.038 395 H GLY 48 H GLY 48 -3.599 16.912 -3.082 396 1HA GLY 48 2HA GLY 48 -2.914 19.301 -3.425 397 2HA GLY 48 1HA GLY 48 -3.194 19.494 -1.701 398 H VAL 49 H VAL 49 -2.061 16.842 -1.098 399 HA VAL 49 HA VAL 49 0.759 17.631 -1.166 400 HB VAL 49 HB VAL 49 -0.291 15.264 0.325 401 1HG1 VAL 49 1HG1 VAL 49 1.614 16.768 1.778 402 2HG1 VAL 49 2HG1 VAL 49 2.201 16.596 0.124 403 3HG1 VAL 49 3HG1 VAL 49 1.792 15.158 1.068 404 1HG2 VAL 49 1HG2 VAL 49 -1.507 16.420 1.757 405 2HG2 VAL 49 2HG2 VAL 49 -1.316 17.834 0.714 406 3HG2 VAL 49 3HG2 VAL 49 -0.183 17.556 2.037 407 H VAL 50 H VAL 50 2.307 16.487 -2.222 408 HA VAL 50 HA VAL 50 1.420 14.282 -3.916 409 HB VAL 50 HB VAL 50 4.087 15.706 -3.813 410 1HG1 VAL 50 1HG1 VAL 50 4.774 14.451 -5.675 411 2HG1 VAL 50 2HG1 VAL 50 3.146 13.850 -5.982 412 3HG1 VAL 50 3HG1 VAL 50 4.051 13.267 -4.585 413 1HG2 VAL 50 1HG2 VAL 50 3.194 17.248 -5.142 414 2HG2 VAL 50 2HG2 VAL 50 1.620 16.481 -4.937 415 3HG2 VAL 50 3HG2 VAL 50 2.664 16.005 -6.276 416 H TYR 51 H TYR 51 1.599 12.265 -3.222 417 HA TYR 51 HA TYR 51 3.549 11.671 -1.117 418 1HB TYR 51 2HB TYR 51 0.806 10.882 -1.580 419 2HB TYR 51 1HB TYR 51 1.833 9.467 -1.439 420 HD1 TYR 51 1HD TYR 51 3.433 11.794 0.589 421 HD2 TYR 51 2HD TYR 51 -0.134 9.468 0.439 422 HE1 TYR 51 1HE TYR 51 3.231 11.953 3.018 423 HE2 TYR 51 2HE TYR 51 -0.336 9.624 2.883 424 HH TYR 51 HH TYR 51 0.427 11.125 4.700 425 H GLU 52 H GLU 52 4.439 9.479 -1.109 426 HA GLU 52 HA GLU 52 4.958 8.458 -3.823 427 1HB GLU 52 2HB GLU 52 6.926 9.662 -2.832 428 2HB GLU 52 1HB GLU 52 6.922 8.496 -1.517 429 1HG GLU 52 2HG GLU 52 8.573 7.751 -2.989 430 2HG GLU 52 1HG GLU 52 7.185 6.709 -3.297 431 H GLY 53 H GLY 53 4.488 6.327 -4.055 432 1HA GLY 53 2HA GLY 53 3.950 4.829 -1.566 433 2HA GLY 53 1HA GLY 53 3.054 4.605 -3.057 434 H GLN 54 H GLN 54 4.954 2.974 -1.181 435 HA GLN 54 HA GLN 54 6.263 1.600 -3.415 436 1HB GLN 54 2HB GLN 54 7.518 2.483 -0.825 437 2HB GLN 54 1HB GLN 54 8.148 1.100 -1.709 438 1HG GLN 54 2HG GLN 54 7.747 3.613 -3.222 439 2HG GLN 54 1HG GLN 54 9.067 3.564 -2.054 440 1HE2 GLN 54 1HE2 GLN 54 9.457 3.867 -4.794 441 2HE2 GLN 54 2HE2 GLN 54 10.269 2.467 -5.399 442 H LEU 55 H LEU 55 5.304 -0.326 -3.499 443 HA LEU 55 HA LEU 55 4.482 -1.570 -0.971 444 1HB LEU 55 2HB LEU 55 3.450 -1.704 -3.768 445 2HB LEU 55 1HB LEU 55 3.234 -3.102 -2.734 446 HG LEU 55 HG LEU 55 2.305 -0.345 -1.945 447 1HD1 LEU 55 1HD1 LEU 55 0.015 -1.424 -2.549 448 2HD1 LEU 55 2HD1 LEU 55 0.985 -2.431 -3.624 449 3HD1 LEU 55 3HD1 LEU 55 0.995 -0.677 -3.811 450 1HD2 LEU 55 1HD2 LEU 55 2.511 -1.813 -0.072 451 2HD2 LEU 55 2HD2 LEU 55 1.713 -3.124 -0.941 452 3HD2 LEU 55 3HD2 LEU 55 0.798 -1.693 -0.472 453 H ILE 56 H ILE 56 6.079 -2.808 -0.239 454 HA ILE 56 HA ILE 56 7.380 -4.656 -2.128 455 HB ILE 56 HB ILE 56 8.525 -3.511 0.422 456 1HG1 ILE 56 2HG1 ILE 56 10.230 -2.658 -1.407 457 2HG1 ILE 56 1HG1 ILE 56 8.844 -2.841 -2.479 458 1HG2 ILE 56 1HG2 ILE 56 9.332 -5.750 0.100 459 2HG2 ILE 56 2HG2 ILE 56 10.619 -4.623 -0.327 460 3HG2 ILE 56 3HG2 ILE 56 9.691 -5.424 -1.596 461 1HD1 ILE 56 1HD1 ILE 56 8.265 -1.403 0.000 462 2HD1 ILE 56 2HD1 ILE 56 7.833 -1.024 -1.668 463 3HD1 ILE 56 3HD1 ILE 56 9.434 -0.610 -1.055 464 H SER 57 H SER 57 6.666 -6.652 -1.876 465 HA SER 57 HA SER 57 5.550 -7.534 0.655 466 1HB SER 57 2HB SER 57 4.629 -7.981 -1.761 467 2HB SER 57 1HB SER 57 5.808 -9.291 -1.758 468 HG SER 57 HG SER 57 3.978 -10.167 -0.940 469 H ILE 58 H ILE 58 6.833 -8.412 2.129 470 HA ILE 58 HA ILE 58 9.316 -9.703 1.258 471 HB ILE 58 HB ILE 58 8.494 -8.617 3.950 472 1HG1 ILE 58 2HG1 ILE 58 10.987 -7.740 2.658 473 2HG1 ILE 58 1HG1 ILE 58 9.527 -7.319 1.768 474 1HG2 ILE 58 1HG2 ILE 58 10.306 -10.722 3.401 475 2HG2 ILE 58 2HG2 ILE 58 10.000 -9.914 4.939 476 3HG2 ILE 58 3HG2 ILE 58 11.253 -9.305 3.858 477 1HD1 ILE 58 1HD1 ILE 58 10.447 -5.635 3.450 478 2HD1 ILE 58 2HD1 ILE 58 9.802 -6.714 4.687 479 3HD1 ILE 58 3HD1 ILE 58 8.720 -5.988 3.499 480 H GLN 59 H GLN 59 9.439 -11.816 1.221 481 HA GLN 59 HA GLN 59 7.385 -13.471 2.372 482 1HB GLN 59 2HB GLN 59 9.429 -13.745 0.362 483 2HB GLN 59 1HB GLN 59 9.532 -15.084 1.498 484 1HG GLN 59 2HG GLN 59 6.975 -14.265 0.147 485 2HG GLN 59 1HG GLN 59 8.087 -15.460 -0.519 486 1HE2 GLN 59 1HE2 GLN 59 5.889 -14.731 2.093 487 2HE2 GLN 59 2HE2 GLN 59 5.681 -16.359 2.635 488 H GLN 60 H GLN 60 8.493 -15.661 3.351 489 HA GLN 60 HA GLN 60 9.369 -14.867 5.926 490 1HB GLN 60 2HB GLN 60 8.384 -17.224 4.704 491 2HB GLN 60 1HB GLN 60 9.914 -17.638 5.467 492 1HG GLN 60 2HG GLN 60 9.054 -16.573 7.561 493 2HG GLN 60 1HG GLN 60 7.487 -16.432 6.766 494 1HE2 GLN 60 1HE2 GLN 60 6.168 -17.914 7.514 495 2HE2 GLN 60 2HE2 GLN 60 6.557 -19.568 7.825 496 H TYR 61 H TYR 61 11.064 -15.937 3.048 497 HA TYR 61 HA TYR 61 13.575 -16.020 4.567 498 1HB TYR 61 2HB TYR 61 14.444 -16.942 2.293 499 2HB TYR 61 1HB TYR 61 13.488 -17.983 3.343 500 HD1 TYR 61 1HD TYR 61 11.302 -18.727 2.691 501 HD2 TYR 61 2HD TYR 61 13.468 -16.006 0.242 502 HE1 TYR 61 1HE TYR 61 9.720 -19.132 0.853 503 HE2 TYR 61 2HE TYR 61 11.891 -16.401 -1.602 504 HH TYR 61 HH TYR 61 9.044 -18.455 -1.177 505 H GLY 62 H GLY 62 11.855 -13.759 2.962 506 1HA GLY 62 2HA GLY 62 13.446 -11.678 2.932 507 2HA GLY 62 1HA GLY 62 14.164 -12.566 1.599 508 H HIS 63 H HIS 63 13.293 -10.088 1.092 509 HA HIS 63 HA HIS 63 10.574 -10.012 0.189 510 1HB HIS 63 2HB HIS 63 11.406 -7.863 -0.952 511 2HB HIS 63 1HB HIS 63 11.443 -7.920 0.807 512 HD2 HIS 63 2HD HIS 63 14.077 -8.645 -2.058 513 HE1 HIS 63 1HE HIS 63 15.950 -6.770 1.241 514 HE2 HIS 63 2HE HIS 63 16.245 -7.544 -1.155 515 H GLN 64 H GLN 64 9.890 -9.717 -2.019 516 HA GLN 64 HA GLN 64 11.710 -10.475 -4.138 517 1HB GLN 64 2HB GLN 64 9.502 -12.170 -4.585 518 2HB GLN 64 1HB GLN 64 11.166 -12.631 -4.257 519 1HG GLN 64 2HG GLN 64 10.011 -11.999 -1.774 520 2HG GLN 64 1HG GLN 64 8.835 -12.982 -2.645 521 1HE2 GLN 64 1HE2 GLN 64 11.974 -12.882 -1.189 522 2HE2 GLN 64 2HE2 GLN 64 12.289 -14.579 -1.254 523 H GLU 65 H GLU 65 8.615 -9.346 -3.034 524 HA GLU 65 HA GLU 65 7.912 -8.509 -5.767 525 1HB GLU 65 2HB GLU 65 6.383 -9.712 -3.751 526 2HB GLU 65 1HB GLU 65 5.851 -8.038 -3.789 527 1HG GLU 65 2HG GLU 65 6.107 -9.228 -6.437 528 2HG GLU 65 1HG GLU 65 4.935 -10.043 -5.403 529 H VAL 66 H VAL 66 8.310 -6.453 -6.277 530 HA VAL 66 HA VAL 66 7.955 -4.402 -4.210 531 HB VAL 66 HB VAL 66 10.228 -4.391 -4.094 532 1HG1 VAL 66 1HG1 VAL 66 10.290 -6.241 -5.872 533 2HG1 VAL 66 2HG1 VAL 66 11.727 -5.240 -5.649 534 3HG1 VAL 66 3HG1 VAL 66 10.643 -4.936 -7.007 535 1HG2 VAL 66 1HG2 VAL 66 11.117 -2.536 -5.271 536 2HG2 VAL 66 2HG2 VAL 66 9.400 -2.204 -5.040 537 3HG2 VAL 66 3HG2 VAL 66 9.988 -2.755 -6.609 538 H THR 67 H THR 67 6.869 -2.634 -4.884 539 HA THR 67 HA THR 67 6.656 -2.102 -7.763 540 HB THR 67 HB THR 67 4.189 -1.816 -6.100 541 HG1 THR 67 1HG THR 67 5.336 -4.226 -7.005 542 1HG2 THR 67 1HG2 THR 67 4.853 -1.363 -8.757 543 2HG2 THR 67 2HG2 THR 67 3.227 -1.437 -8.081 544 3HG2 THR 67 3HG2 THR 67 3.953 -2.879 -8.789 545 H ARG 68 H ARG 68 6.788 0.011 -8.277 546 HA ARG 68 HA ARG 68 6.697 1.952 -6.061 547 1HB ARG 68 2HB ARG 68 8.068 2.556 -8.648 548 2HB ARG 68 1HB ARG 68 8.409 3.167 -7.035 549 1HG ARG 68 2HG ARG 68 9.466 1.132 -6.400 550 2HG ARG 68 1HG ARG 68 8.919 0.323 -7.868 551 1HD ARG 68 2HD ARG 68 10.758 0.971 -8.926 552 2HD ARG 68 1HD ARG 68 10.349 2.658 -8.624 553 HE ARG 68 HE ARG 68 11.837 2.686 -6.853 554 1HH1 ARG 68 1HH1 ARG 68 11.466 -0.558 -8.072 555 2HH1 ARG 68 2HH1 ARG 68 12.825 -1.180 -7.196 556 1HH2 ARG 68 1HH2 ARG 68 13.626 1.873 -5.693 557 2HH2 ARG 68 2HH2 ARG 68 14.052 0.202 -5.844 558 H PHE 69 H PHE 69 5.240 3.542 -6.123 559 HA PHE 69 HA PHE 69 4.172 4.546 -8.608 560 1HB PHE 69 2HB PHE 69 1.817 4.071 -8.045 561 2HB PHE 69 1HB PHE 69 2.747 2.600 -8.308 562 HD1 PHE 69 1HD PHE 69 0.714 4.468 -6.015 563 HD2 PHE 69 2HD PHE 69 3.514 1.278 -6.319 564 HE1 PHE 69 1HE PHE 69 -0.017 3.623 -3.823 565 HE2 PHE 69 2HE PHE 69 2.789 0.428 -4.128 566 HZ PHE 69 HZ PHE 69 1.021 1.600 -2.877 567 H ASP 70 H ASP 70 3.780 6.654 -8.428 568 HA ASP 70 HA ASP 70 3.748 7.828 -5.748 569 1HB ASP 70 2HB ASP 70 4.141 9.979 -6.899 570 2HB ASP 70 1HB ASP 70 5.361 8.780 -7.326 571 H PHE 71 H PHE 71 2.017 8.898 -4.929 572 HA PHE 71 HA PHE 71 -0.262 9.434 -6.677 573 1HB PHE 71 2HB PHE 71 -1.832 8.290 -5.245 574 2HB PHE 71 1HB PHE 71 -0.564 7.159 -5.716 575 HD1 PHE 71 1HD PHE 71 -2.238 8.799 -2.985 576 HD2 PHE 71 2HD PHE 71 1.226 6.584 -4.076 577 HE1 PHE 71 1HE PHE 71 -1.833 8.274 -0.615 578 HE2 PHE 71 2HE PHE 71 1.639 6.055 -1.709 579 HZ PHE 71 HZ PHE 71 0.108 6.899 0.025 580 H THR 72 H THR 72 -1.875 10.848 -5.682 581 HA THR 72 HA THR 72 -0.620 12.643 -3.717 582 HB THR 72 HB THR 72 -1.686 14.473 -4.677 583 HG1 THR 72 1HG THR 72 -3.493 12.573 -5.761 584 1HG2 THR 72 1HG2 THR 72 -1.258 14.360 -7.079 585 2HG2 THR 72 2HG2 THR 72 -1.197 12.600 -6.995 586 3HG2 THR 72 3HG2 THR 72 0.031 13.564 -6.177 587 H THR 73 H THR 73 -2.215 13.954 -2.440 588 HA THR 73 HA THR 73 -4.193 14.218 -1.234 589 HB THR 73 HB THR 73 -4.777 11.284 -1.674 590 HG1 THR 73 1HG THR 73 -6.284 12.057 -3.218 591 1HG2 THR 73 1HG2 THR 73 -6.582 11.544 -0.364 592 2HG2 THR 73 2HG2 THR 73 -6.976 13.110 -1.074 593 3HG2 THR 73 3HG2 THR 73 -5.787 13.004 0.225 594 H THR 74 H THR 74 -2.726 14.635 0.412 595 HA THR 74 HA THR 74 -2.583 12.533 2.432 596 HB THR 74 HB THR 74 -0.381 12.293 2.442 597 HG1 THR 74 1HG THR 74 -0.379 15.115 2.478 598 1HG2 THR 74 1HG2 THR 74 -0.801 13.813 -0.087 599 2HG2 THR 74 2HG2 THR 74 -0.317 12.134 0.150 600 3HG2 THR 74 3HG2 THR 74 0.845 13.433 0.422 601 H SER 75 H SER 75 -1.558 13.562 4.538 602 HA SER 75 HA SER 75 -1.972 16.358 4.921 603 1HB SER 75 2HB SER 75 -4.288 15.976 4.926 604 2HB SER 75 1HB SER 75 -4.125 14.439 5.774 605 HG SER 75 HG SER 75 -3.182 16.658 7.127 606 H THR 76 H THR 76 -2.406 13.406 6.872 607 HA THR 76 HA THR 76 -1.424 12.665 8.776 608 HB THR 76 HB THR 76 0.901 12.781 9.005 609 HG1 THR 76 1HG THR 76 2.141 14.492 8.294 610 1HG2 THR 76 1HG2 THR 76 1.796 12.720 6.630 611 2HG2 THR 76 2HG2 THR 76 0.160 13.125 6.109 612 3HG2 THR 76 3HG2 THR 76 0.460 11.627 6.989 613 H SER 77 H SER 77 -2.409 13.390 10.540 614 HA SER 77 HA SER 77 -2.775 16.046 11.282 615 1HB SER 77 2HB SER 77 -2.696 13.590 13.053 616 2HB SER 77 1HB SER 77 -3.361 15.155 13.518 617 HG SER 77 HG SER 77 -4.980 14.909 12.044 618 H THR 78 H THR 78 -0.439 13.709 12.615 619 HA THR 78 HA THR 78 1.454 13.989 13.858 620 HB THR 78 HB THR 78 3.101 15.558 12.921 621 HG1 THR 78 1HG THR 78 2.436 16.855 11.122 622 1HG2 THR 78 1HG2 THR 78 3.494 14.186 11.186 623 2HG2 THR 78 2HG2 THR 78 1.946 14.556 10.425 624 3HG2 THR 78 3HG2 THR 78 2.033 13.346 11.706 625 HA PRO 79 HA PRO 79 -0.144 17.453 16.480 626 1HB PRO 79 2HB PRO 79 -0.617 16.036 18.705 627 2HB PRO 79 1HB PRO 79 -1.769 16.059 17.363 628 1HG PRO 79 2HG PRO 79 0.253 13.975 18.091 629 2HG PRO 79 1HG PRO 79 -1.426 13.767 17.560 630 1HD PRO 79 2HD PRO 79 0.752 13.502 15.909 631 2HD PRO 79 1HD PRO 79 -0.871 13.948 15.347 632 H GLY 80 H GLY 80 2.457 15.266 16.546 633 1HA GLY 80 2HA GLY 80 3.772 16.837 18.677 634 2HA GLY 80 1HA GLY 80 4.070 15.123 18.427 635 H SER 81 H SER 81 5.639 14.506 17.048 636 HA SER 81 HA SER 81 6.594 16.206 14.945 637 1HB SER 81 2HB SER 81 7.962 16.163 17.558 638 2HB SER 81 1HB SER 81 9.015 15.901 16.166 639 HG SER 81 HG SER 81 8.377 17.855 15.330 640 H ARG 82 H ARG 82 6.463 13.261 16.652 641 HA ARG 82 HA ARG 82 7.976 11.939 14.497 642 1HB ARG 82 2HB ARG 82 8.256 11.717 17.409 643 2HB ARG 82 1HB ARG 82 8.123 10.168 16.589 644 1HG ARG 82 2HG ARG 82 9.981 10.847 15.101 645 2HG ARG 82 1HG ARG 82 10.153 12.325 16.052 646 1HD ARG 82 2HD ARG 82 11.759 10.839 16.915 647 2HD ARG 82 1HD ARG 82 10.429 10.813 18.073 648 HE ARG 82 HE ARG 82 11.058 8.690 16.136 649 1HH1 ARG 82 1HH1 ARG 82 9.425 9.813 18.999 650 2HH1 ARG 82 2HH1 ARG 82 8.901 8.234 19.478 651 1HH2 ARG 82 1HH2 ARG 82 10.373 6.605 16.754 652 2HH2 ARG 82 2HH2 ARG 82 9.440 6.408 18.201 653 H SER 83 H SER 83 5.022 12.337 15.961 654 HA SER 83 HA SER 83 3.020 11.263 15.850 655 1HB SER 83 2HB SER 83 4.407 10.688 13.358 656 2HB SER 83 1HB SER 83 3.268 9.411 13.782 657 HG SER 83 HG SER 83 2.785 12.126 13.256 658 H HIS 84 H HIS 84 2.491 8.573 14.959 659 HA HIS 84 HA HIS 84 2.347 6.455 15.761 660 1HB HIS 84 2HB HIS 84 5.191 7.138 16.407 661 2HB HIS 84 1HB HIS 84 4.502 5.638 17.018 662 HD2 HIS 84 2HD HIS 84 5.027 7.342 13.497 663 HE1 HIS 84 1HE HIS 84 5.082 3.128 13.111 664 HE2 HIS 84 2HE HIS 84 5.531 5.331 11.939 665 H HIS 85 H HIS 85 0.849 6.261 17.283 666 HA HIS 85 HA HIS 85 1.450 7.244 19.990 667 1HB HIS 85 2HB HIS 85 -1.319 6.505 19.135 668 2HB HIS 85 1HB HIS 85 -0.796 7.709 20.308 669 HD2 HIS 85 2HD HIS 85 -0.074 10.198 19.246 670 HE1 HIS 85 1HE HIS 85 -1.580 9.339 15.384 671 HE2 HIS 85 2HE HIS 85 -0.868 11.178 16.977 672 H HIS 86 H HIS 86 1.262 4.444 18.181 673 HA HIS 86 HA HIS 86 0.450 2.802 20.478 674 1HB HIS 86 2HB HIS 86 0.408 2.401 17.524 675 2HB HIS 86 1HB HIS 86 0.619 0.982 18.542 676 HD2 HIS 86 2HD HIS 86 -2.168 2.416 16.820 677 HE1 HIS 86 1HE HIS 86 -3.782 1.473 20.616 678 HE2 HIS 86 2HE HIS 86 -4.318 2.239 18.259 679 H HIS 87 H HIS 87 1.798 0.451 19.254 680 HA HIS 87 HA HIS 87 3.737 -0.708 19.472 681 1HB HIS 87 2HB HIS 87 4.404 1.630 18.089 682 2HB HIS 87 1HB HIS 87 5.637 1.477 19.335 683 HD2 HIS 87 2HD HIS 87 4.226 -0.639 16.335 684 HE1 HIS 87 1HE HIS 87 8.164 -1.882 17.259 685 HE2 HIS 87 2HE HIS 87 6.270 -2.046 15.581 686 H HIS 88 H HIS 88 6.130 -0.289 20.653 687 HA HIS 88 HA HIS 88 5.417 -0.234 23.427 688 1HB HIS 88 2HB HIS 88 7.611 -1.192 21.845 689 2HB HIS 88 1HB HIS 88 8.237 -0.206 23.162 690 HD2 HIS 88 2HD HIS 88 5.592 -3.144 22.954 691 HE1 HIS 88 1HE HIS 88 8.012 -3.568 26.400 692 HE2 HIS 88 2HE HIS 88 5.994 -4.461 25.153 693 H HIS 89 H HIS 89 7.047 1.934 21.201 694 HA HIS 89 HA HIS 89 6.654 4.150 22.982 695 1HB HIS 89 2HB HIS 89 9.150 2.761 23.073 696 2HB HIS 89 1HB HIS 89 9.420 4.346 22.356 697 HD2 HIS 89 2HD HIS 89 10.667 5.391 24.566 698 HE1 HIS 89 1HE HIS 89 7.338 4.986 27.148 699 HE2 HIS 89 2HE HIS 89 9.730 5.805 26.949 Start of MODEL 8 1 1H MET 1 1HT MET 1 -20.022 -31.500 17.469 2 2H MET 1 2HT MET 1 -18.483 -31.475 16.771 3 3H MET 1 3HT MET 1 -19.857 -31.538 15.785 4 HA MET 1 HA MET 1 -20.492 -29.354 16.318 5 1HB MET 1 2HB MET 1 -19.104 -29.969 18.707 6 2HB MET 1 1HB MET 1 -18.325 -28.550 18.023 7 1HG MET 1 2HG MET 1 -21.202 -28.328 17.925 8 2HG MET 1 1HG MET 1 -20.625 -28.616 19.566 9 1HE MET 1 1HE MET 1 -19.776 -26.274 16.355 10 2HE MET 1 2HE MET 1 -20.386 -24.819 17.140 11 3HE MET 1 3HE MET 1 -21.435 -26.224 16.950 12 H ARG 2 H ARG 2 -17.035 -29.237 17.026 13 HA ARG 2 HA ARG 2 -16.610 -27.872 14.475 14 1HB ARG 2 2HB ARG 2 -15.559 -27.568 17.112 15 2HB ARG 2 1HB ARG 2 -14.229 -27.955 16.029 16 1HG ARG 2 2HG ARG 2 -15.740 -26.047 14.670 17 2HG ARG 2 1HG ARG 2 -15.683 -25.492 16.345 18 1HD ARG 2 2HD ARG 2 -13.764 -24.552 15.492 19 2HD ARG 2 1HD ARG 2 -13.145 -26.067 16.147 20 HE ARG 2 HE ARG 2 -12.618 -26.717 14.021 21 1HH1 ARG 2 1HH1 ARG 2 -14.911 -24.098 13.855 22 2HH1 ARG 2 2HH1 ARG 2 -14.793 -23.932 12.135 23 1HH2 ARG 2 1HH2 ARG 2 -12.455 -26.505 11.756 24 2HH2 ARG 2 2HH2 ARG 2 -13.397 -25.301 10.942 25 H GLY 3 H GLY 3 -15.066 -28.515 12.976 26 1HA GLY 3 2HA GLY 3 -13.627 -31.014 13.454 27 2HA GLY 3 1HA GLY 3 -14.788 -31.000 12.135 28 H SER 4 H SER 4 -11.690 -31.063 12.507 29 HA SER 4 HA SER 4 -10.998 -28.854 10.714 30 1HB SER 4 2HB SER 4 -9.671 -29.387 12.844 31 2HB SER 4 1HB SER 4 -9.059 -30.791 11.971 32 HG SER 4 HG SER 4 -7.633 -29.124 11.642 33 H ASN 5 H ASN 5 -10.344 -29.146 8.649 34 HA ASN 5 HA ASN 5 -10.370 -31.908 7.634 35 1HB ASN 5 2HB ASN 5 -11.678 -29.522 6.738 36 2HB ASN 5 1HB ASN 5 -10.568 -30.069 5.485 37 1HD2 ASN 5 1HD2 ASN 5 -10.670 -32.519 5.131 38 2HD2 ASN 5 2HD2 ASN 5 -12.258 -33.189 5.014 39 H ALA 6 H ALA 6 -8.947 -28.770 6.685 40 HA ALA 6 HA ALA 6 -6.320 -30.021 6.531 41 1HB ALA 6 1HB ALA 6 -6.533 -30.376 4.330 42 2HB ALA 6 2HB ALA 6 -6.307 -28.634 4.179 43 3HB ALA 6 3HB ALA 6 -7.934 -29.314 4.199 44 HA PRO 7 HA PRO 7 -5.873 -25.845 8.290 45 1HB PRO 7 2HB PRO 7 -3.483 -26.343 9.486 46 2HB PRO 7 1HB PRO 7 -5.033 -26.793 10.205 47 1HG PRO 7 2HG PRO 7 -3.090 -28.483 8.680 48 2HG PRO 7 1HG PRO 7 -3.995 -28.871 10.154 49 1HD PRO 7 2HD PRO 7 -4.758 -29.745 7.710 50 2HD PRO 7 1HD PRO 7 -5.924 -29.366 8.993 51 H GLN 8 H GLN 8 -5.261 -24.300 6.927 52 HA GLN 8 HA GLN 8 -2.719 -24.627 5.471 53 1HB GLN 8 2HB GLN 8 -3.735 -23.092 3.755 54 2HB GLN 8 1HB GLN 8 -4.489 -24.677 3.871 55 1HG GLN 8 2HG GLN 8 -6.413 -23.843 4.827 56 2HG GLN 8 1HG GLN 8 -5.611 -22.388 5.420 57 1HE2 GLN 8 1HE2 GLN 8 -7.021 -20.946 4.522 58 2HE2 GLN 8 2HE2 GLN 8 -7.174 -20.698 2.819 59 HA PRO 9 HA PRO 9 -1.423 -20.920 7.521 60 1HB PRO 9 2HB PRO 9 0.645 -20.201 5.963 61 2HB PRO 9 1HB PRO 9 0.707 -21.645 6.982 62 1HG PRO 9 2HG PRO 9 0.150 -21.421 4.048 63 2HG PRO 9 1HG PRO 9 1.178 -22.584 4.906 64 1HD PRO 9 2HD PRO 9 -1.364 -23.145 4.082 65 2HD PRO 9 1HD PRO 9 -0.600 -23.913 5.488 66 H SER 10 H SER 10 -0.284 -18.692 6.344 67 HA SER 10 HA SER 10 -2.621 -17.493 5.057 68 1HB SER 10 2HB SER 10 -0.610 -15.545 5.578 69 2HB SER 10 1HB SER 10 -2.161 -15.755 6.391 70 HG SER 10 HG SER 10 -1.148 -17.215 7.809 71 H HIS 11 H HIS 11 -1.651 -15.424 3.667 72 HA HIS 11 HA HIS 11 -0.628 -16.673 1.308 73 1HB HIS 11 2HB HIS 11 -1.516 -13.924 2.064 74 2HB HIS 11 1HB HIS 11 -0.523 -14.110 0.622 75 HD2 HIS 11 2HD HIS 11 -4.127 -14.173 1.590 76 HE1 HIS 11 1HE HIS 11 -3.834 -16.414 -1.988 77 HE2 HIS 11 2HE HIS 11 -5.396 -15.126 -0.462 78 H ILE 12 H ILE 12 0.626 -13.565 2.314 79 HA ILE 12 HA ILE 12 3.353 -14.612 2.022 80 HB ILE 12 HB ILE 12 2.881 -12.746 0.569 81 1HG1 ILE 12 2HG1 ILE 12 4.399 -11.053 2.308 82 2HG1 ILE 12 1HG1 ILE 12 4.930 -12.717 2.545 83 1HG2 ILE 12 1HG2 ILE 12 1.254 -11.870 2.657 84 2HG2 ILE 12 2HG2 ILE 12 1.525 -11.075 1.106 85 3HG2 ILE 12 3HG2 ILE 12 2.514 -10.646 2.501 86 1HD1 ILE 12 1HD1 ILE 12 4.623 -11.740 -0.237 87 2HD1 ILE 12 2HD1 ILE 12 5.774 -12.891 0.443 88 3HD1 ILE 12 3HD1 ILE 12 5.995 -11.162 0.709 89 H SER 13 H SER 13 4.946 -14.191 3.585 90 HA SER 13 HA SER 13 4.327 -14.481 6.227 91 1HB SER 13 2HB SER 13 6.693 -12.827 5.338 92 2HB SER 13 1HB SER 13 6.572 -13.884 6.744 93 HG SER 13 HG SER 13 6.052 -15.348 4.605 94 H LYS 14 H LYS 14 4.953 -11.419 4.546 95 HA LYS 14 HA LYS 14 2.990 -9.979 5.935 96 1HB LYS 14 2HB LYS 14 4.501 -8.473 7.256 97 2HB LYS 14 1HB LYS 14 4.368 -10.109 7.884 98 1HG LYS 14 2HG LYS 14 6.518 -10.687 7.146 99 2HG LYS 14 1HG LYS 14 6.621 -9.278 6.086 100 1HD LYS 14 2HD LYS 14 6.156 -8.259 8.651 101 2HD LYS 14 1HD LYS 14 7.352 -9.540 8.861 102 1HE LYS 14 2HE LYS 14 8.731 -8.515 7.103 103 2HE LYS 14 1HE LYS 14 7.544 -7.222 6.940 104 1HZ LYS 14 1HZ LYS 14 8.468 -7.626 9.637 105 2HZ LYS 14 2HZ LYS 14 8.313 -6.194 8.750 106 3HZ LYS 14 3HZ LYS 14 9.692 -7.156 8.567 107 H TYR 15 H TYR 15 2.678 -7.950 5.060 108 HA TYR 15 HA TYR 15 4.494 -7.235 2.851 109 1HB TYR 15 2HB TYR 15 1.830 -7.776 2.674 110 2HB TYR 15 1HB TYR 15 1.796 -6.032 2.910 111 HD1 TYR 15 1HD TYR 15 1.665 -8.420 0.481 112 HD2 TYR 15 2HD TYR 15 3.804 -4.857 1.396 113 HE1 TYR 15 1HE TYR 15 2.141 -8.099 -1.910 114 HE2 TYR 15 2HE TYR 15 4.285 -4.523 -0.994 115 HH TYR 15 HH TYR 15 4.387 -5.736 -3.038 116 H ILE 16 H ILE 16 5.402 -5.223 2.826 117 HA ILE 16 HA ILE 16 4.659 -3.443 5.048 118 HB ILE 16 HB ILE 16 7.327 -3.840 3.707 119 1HG1 ILE 16 2HG1 ILE 16 6.236 -4.319 6.478 120 2HG1 ILE 16 1HG1 ILE 16 6.951 -5.490 5.377 121 1HG2 ILE 16 1HG2 ILE 16 6.902 -1.442 4.070 122 2HG2 ILE 16 2HG2 ILE 16 8.189 -2.052 5.110 123 3HG2 ILE 16 3HG2 ILE 16 6.580 -1.767 5.773 124 1HD1 ILE 16 1HD1 ILE 16 8.916 -5.178 6.327 125 2HD1 ILE 16 2HD1 ILE 16 8.192 -4.007 7.430 126 3HD1 ILE 16 3HD1 ILE 16 8.870 -3.469 5.894 127 H LEU 17 H LEU 17 3.725 -1.618 4.503 128 HA LEU 17 HA LEU 17 4.051 -0.606 1.764 129 1HB LEU 17 2HB LEU 17 1.752 -1.084 2.385 130 2HB LEU 17 1HB LEU 17 1.906 -0.112 3.833 131 HG LEU 17 HG LEU 17 2.187 1.905 2.427 132 1HD1 LEU 17 1HD1 LEU 17 2.871 0.255 0.424 133 2HD1 LEU 17 2HD1 LEU 17 2.277 1.897 0.177 134 3HD1 LEU 17 3HD1 LEU 17 1.175 0.528 0.028 135 1HD2 LEU 17 1HD2 LEU 17 -0.308 1.030 1.305 136 2HD2 LEU 17 2HD2 LEU 17 -0.008 2.174 2.614 137 3HD2 LEU 17 3HD2 LEU 17 -0.143 0.451 2.963 138 H ARG 18 H ARG 18 5.494 0.976 1.595 139 HA ARG 18 HA ARG 18 5.733 2.891 3.814 140 1HB ARG 18 2HB ARG 18 8.124 3.140 2.592 141 2HB ARG 18 1HB ARG 18 7.833 2.041 3.934 142 1HG ARG 18 2HG ARG 18 7.103 0.561 1.722 143 2HG ARG 18 1HG ARG 18 8.512 1.469 1.173 144 1HD ARG 18 2HD ARG 18 8.303 -0.432 3.494 145 2HD ARG 18 1HD ARG 18 9.346 -0.545 2.077 146 HE ARG 18 HE ARG 18 9.992 1.807 3.428 147 1HH1 ARG 18 1HH1 ARG 18 10.147 -1.639 3.926 148 2HH1 ARG 18 2HH1 ARG 18 11.535 -1.558 4.957 149 1HH2 ARG 18 1HH2 ARG 18 11.820 1.923 4.787 150 2HH2 ARG 18 2HH2 ARG 18 12.486 0.467 5.448 151 H TRP 19 H TRP 19 5.349 4.980 3.334 152 HA TRP 19 HA TRP 19 5.822 5.922 0.632 153 1HB TRP 19 2HB TRP 19 3.592 6.854 0.369 154 2HB TRP 19 1HB TRP 19 3.498 5.114 0.591 155 HD1 TRP 19 HD TRP 19 2.196 8.295 1.888 156 HE1 TRP 19 1HE TRP 19 0.742 7.921 3.980 157 HE3 TRP 19 3HE TRP 19 3.411 3.435 2.846 158 HZ2 TRP 19 2HZ TRP 19 0.182 5.834 5.791 159 HZ3 TRP 19 3HZ TRP 19 2.370 2.319 4.778 160 HH2 TRP 19 HH TRP 19 0.792 3.494 6.218 161 H ARG 20 H ARG 20 5.715 8.235 0.460 162 HA ARG 20 HA ARG 20 5.529 9.851 2.827 163 1HB ARG 20 2HB ARG 20 7.756 10.434 3.153 164 2HB ARG 20 1HB ARG 20 7.865 8.712 2.822 165 1HG ARG 20 2HG ARG 20 9.034 9.023 0.938 166 2HG ARG 20 1HG ARG 20 8.068 10.415 0.447 167 1HD ARG 20 2HD ARG 20 9.497 11.885 1.364 168 2HD ARG 20 1HD ARG 20 9.752 10.888 2.795 169 HE ARG 20 HE ARG 20 11.039 9.707 0.589 170 1HH1 ARG 20 1HH1 ARG 20 11.299 12.468 2.697 171 2HH1 ARG 20 2HH1 ARG 20 13.021 12.582 2.547 172 1HH2 ARG 20 1HH2 ARG 20 13.305 9.850 0.384 173 2HH2 ARG 20 2HH2 ARG 20 14.161 11.095 1.232 174 HA PRO 21 HA PRO 21 4.598 13.088 -0.022 175 1HB PRO 21 2HB PRO 21 6.622 14.813 1.315 176 2HB PRO 21 1HB PRO 21 4.901 15.108 1.031 177 1HG PRO 21 2HG PRO 21 5.723 14.481 3.464 178 2HG PRO 21 1HG PRO 21 4.246 13.742 2.810 179 1HD PRO 21 2HD PRO 21 7.005 12.580 3.019 180 2HD PRO 21 1HD PRO 21 5.440 11.843 3.423 181 H LYS 22 H LYS 22 5.277 12.711 -2.023 182 HA LYS 22 HA LYS 22 7.848 12.202 -2.896 183 1HB LYS 22 2HB LYS 22 5.500 12.022 -4.062 184 2HB LYS 22 1HB LYS 22 5.928 13.601 -4.704 185 1HG LYS 22 2HG LYS 22 8.030 11.578 -4.953 186 2HG LYS 22 1HG LYS 22 6.554 11.232 -5.858 187 1HD LYS 22 2HD LYS 22 7.623 13.991 -6.022 188 2HD LYS 22 1HD LYS 22 8.541 12.727 -6.842 189 1HE LYS 22 2HE LYS 22 6.055 13.990 -7.600 190 2HE LYS 22 1HE LYS 22 7.134 12.972 -8.551 191 1HZ LYS 22 1HZ LYS 22 4.973 12.060 -6.733 192 2HZ LYS 22 2HZ LYS 22 6.080 11.026 -7.482 193 3HZ LYS 22 3HZ LYS 22 5.004 11.932 -8.420 194 H ASN 23 H ASN 23 6.369 15.260 -2.170 195 HA ASN 23 HA ASN 23 8.543 16.712 -3.497 196 1HB ASN 23 2HB ASN 23 5.942 17.290 -3.540 197 2HB ASN 23 1HB ASN 23 6.367 18.154 -2.067 198 1HD2 ASN 23 1HD2 ASN 23 8.482 17.684 -4.824 199 2HD2 ASN 23 2HD2 ASN 23 8.554 19.346 -5.290 200 H SER 24 H SER 24 7.025 16.367 -0.308 201 HA SER 24 HA SER 24 8.969 18.073 0.955 202 1HB SER 24 2HB SER 24 6.427 17.321 1.611 203 2HB SER 24 1HB SER 24 7.378 16.296 2.683 204 HG SER 24 HG SER 24 8.168 18.944 2.530 205 H VAL 25 H VAL 25 9.961 17.141 3.083 206 HA VAL 25 HA VAL 25 11.077 14.468 2.602 207 HB VAL 25 HB VAL 25 12.707 16.100 1.750 208 1HG1 VAL 25 1HG1 VAL 25 12.804 18.082 2.762 209 2HG1 VAL 25 2HG1 VAL 25 13.787 17.292 3.996 210 3HG1 VAL 25 3HG1 VAL 25 12.046 17.458 4.226 211 1HG2 VAL 25 1HG2 VAL 25 14.084 15.255 4.199 212 2HG2 VAL 25 2HG2 VAL 25 14.441 14.891 2.510 213 3HG2 VAL 25 3HG2 VAL 25 13.204 13.974 3.369 214 H GLY 26 H GLY 26 11.646 13.316 4.449 215 1HA GLY 26 2HA GLY 26 11.983 14.233 7.023 216 2HA GLY 26 1HA GLY 26 10.247 14.046 6.833 217 H ARG 27 H ARG 27 9.409 12.120 7.290 218 HA ARG 27 HA ARG 27 11.176 9.767 7.188 219 1HB ARG 27 2HB ARG 27 9.459 10.758 9.413 220 2HB ARG 27 1HB ARG 27 9.581 9.021 9.179 221 1HG ARG 27 2HG ARG 27 12.007 10.769 9.405 222 2HG ARG 27 1HG ARG 27 11.195 10.093 10.818 223 1HD ARG 27 2HD ARG 27 12.136 8.404 8.512 224 2HD ARG 27 1HD ARG 27 13.157 8.775 9.901 225 HE ARG 27 HE ARG 27 11.290 7.713 11.245 226 1HH1 ARG 27 1HH1 ARG 27 12.004 6.810 7.954 227 2HH1 ARG 27 2HH1 ARG 27 11.397 5.197 8.129 228 1HH2 ARG 27 1HH2 ARG 27 10.489 5.588 11.482 229 2HH2 ARG 27 2HH2 ARG 27 10.536 4.504 10.132 230 H TRP 28 H TRP 28 10.211 7.798 6.646 231 HA TRP 28 HA TRP 28 7.845 8.047 5.007 232 1HB TRP 28 2HB TRP 28 9.655 5.697 5.597 233 2HB TRP 28 1HB TRP 28 8.294 5.636 4.484 234 HD1 TRP 28 HD TRP 28 11.575 7.678 4.893 235 HE1 TRP 28 1HE TRP 28 12.485 8.183 2.539 236 HE3 TRP 28 3HE TRP 28 7.821 5.607 2.106 237 HZ2 TRP 28 2HZ TRP 28 11.715 7.760 -0.142 238 HZ3 TRP 28 3HZ TRP 28 7.984 5.701 -0.348 239 HH2 TRP 28 HH TRP 28 9.891 6.757 -1.447 240 H LYS 29 H LYS 29 6.489 5.777 5.176 241 HA LYS 29 HA LYS 29 5.745 5.355 7.983 242 1HB LYS 29 2HB LYS 29 4.152 6.720 5.964 243 2HB LYS 29 1HB LYS 29 3.319 5.312 6.606 244 1HG LYS 29 2HG LYS 29 4.254 6.485 8.881 245 2HG LYS 29 1HG LYS 29 3.915 7.884 7.860 246 1HD LYS 29 2HD LYS 29 1.877 7.562 8.890 247 2HD LYS 29 1HD LYS 29 1.665 6.642 7.399 248 1HE LYS 29 2HE LYS 29 2.282 4.587 8.601 249 2HE LYS 29 1HE LYS 29 2.442 5.520 10.089 250 1HZ LYS 29 1HZ LYS 29 0.062 6.161 9.777 251 2HZ LYS 29 2HZ LYS 29 0.313 4.522 10.109 252 3HZ LYS 29 3HZ LYS 29 -0.030 5.021 8.530 253 H GLU 30 H GLU 30 5.635 3.218 8.388 254 HA GLU 30 HA GLU 30 5.164 1.431 6.093 255 1HB GLU 30 2HB GLU 30 7.085 1.226 8.383 256 2HB GLU 30 1HB GLU 30 6.524 -0.228 7.568 257 1HG GLU 30 2HG GLU 30 7.906 0.092 5.868 258 2HG GLU 30 1HG GLU 30 7.378 1.762 5.666 259 H ALA 31 H ALA 31 3.710 -0.158 6.252 260 HA ALA 31 HA ALA 31 2.522 -0.773 8.863 261 1HB ALA 31 1HB ALA 31 0.384 -0.257 8.279 262 2HB ALA 31 2HB ALA 31 0.654 -0.587 6.568 263 3HB ALA 31 3HB ALA 31 1.220 0.927 7.274 264 H THR 32 H THR 32 1.978 -2.913 9.124 265 HA THR 32 HA THR 32 2.827 -4.692 6.975 266 HB THR 32 HB THR 32 2.119 -5.357 9.836 267 HG1 THR 32 1HG THR 32 4.432 -4.494 8.588 268 1HG2 THR 32 1HG2 THR 32 2.926 -7.546 9.425 269 2HG2 THR 32 2HG2 THR 32 3.587 -7.091 7.854 270 3HG2 THR 32 3HG2 THR 32 1.839 -7.187 8.082 271 H ILE 33 H ILE 33 1.543 -5.960 5.837 272 HA ILE 33 HA ILE 33 -1.220 -6.404 6.710 273 HB ILE 33 HB ILE 33 -0.650 -5.895 3.809 274 1HG1 ILE 33 2HG1 ILE 33 -1.894 -3.597 4.886 275 2HG1 ILE 33 1HG1 ILE 33 -0.497 -3.929 5.905 276 1HG2 ILE 33 1HG2 ILE 33 -3.116 -5.135 4.039 277 2HG2 ILE 33 2HG2 ILE 33 -3.064 -6.003 5.574 278 3HG2 ILE 33 3HG2 ILE 33 -2.740 -6.858 4.066 279 1HD1 ILE 33 1HD1 ILE 33 -0.193 -2.388 3.890 280 2HD1 ILE 33 2HD1 ILE 33 -0.262 -3.862 2.923 281 3HD1 ILE 33 3HD1 ILE 33 0.997 -3.665 4.144 282 HA PRO 34 HA PRO 34 0.492 -10.481 5.751 283 1HB PRO 34 2HB PRO 34 -2.111 -11.374 6.801 284 2HB PRO 34 1HB PRO 34 -0.484 -11.795 7.336 285 1HG PRO 34 2HG PRO 34 -2.066 -10.205 8.801 286 2HG PRO 34 1HG PRO 34 -0.314 -9.937 8.705 287 1HD PRO 34 2HD PRO 34 -2.529 -8.505 7.282 288 2HD PRO 34 1HD PRO 34 -1.064 -7.844 8.040 289 H GLY 35 H GLY 35 0.234 -9.964 3.463 290 1HA GLY 35 2HA GLY 35 -0.507 -10.656 1.391 291 2HA GLY 35 1HA GLY 35 -1.660 -11.703 2.207 292 H HIS 36 H HIS 36 -3.718 -10.933 2.699 293 HA HIS 36 HA HIS 36 -4.537 -8.258 2.211 294 1HB HIS 36 2HB HIS 36 -4.243 -9.693 -0.113 295 2HB HIS 36 1HB HIS 36 -5.947 -9.938 0.259 296 HD2 HIS 36 2HD HIS 36 -7.288 -8.170 -1.223 297 HE1 HIS 36 1HE HIS 36 -4.732 -4.858 -0.587 298 HE2 HIS 36 2HE HIS 36 -6.780 -5.699 -1.824 299 H LEU 37 H LEU 37 -5.555 -8.452 4.180 300 HA LEU 37 HA LEU 37 -7.257 -10.598 4.878 301 1HB LEU 37 2HB LEU 37 -8.174 -8.611 6.473 302 2HB LEU 37 1HB LEU 37 -6.785 -9.610 6.831 303 HG LEU 37 HG LEU 37 -6.504 -7.142 7.219 304 1HD1 LEU 37 1HD1 LEU 37 -4.259 -7.213 6.755 305 2HD1 LEU 37 2HD1 LEU 37 -4.490 -8.043 5.216 306 3HD1 LEU 37 3HD1 LEU 37 -4.679 -8.926 6.731 307 1HD2 LEU 37 1HD2 LEU 37 -5.749 -6.037 4.925 308 2HD2 LEU 37 2HD2 LEU 37 -7.403 -5.929 5.527 309 3HD2 LEU 37 3HD2 LEU 37 -6.988 -7.123 4.298 310 H ASN 38 H ASN 38 -7.803 -7.551 3.248 311 HA ASN 38 HA ASN 38 -10.131 -8.372 1.968 312 1HB ASN 38 2HB ASN 38 -10.578 -7.282 4.655 313 2HB ASN 38 1HB ASN 38 -11.504 -6.462 3.401 314 1HD2 ASN 38 1HD2 ASN 38 -12.427 -8.152 1.750 315 2HD2 ASN 38 2HD2 ASN 38 -13.289 -9.456 2.485 316 H SER 39 H SER 39 -10.115 -5.184 3.436 317 HA SER 39 HA SER 39 -9.050 -4.065 0.932 318 1HB SER 39 2HB SER 39 -11.084 -2.450 2.349 319 2HB SER 39 1HB SER 39 -10.840 -2.697 0.619 320 HG SER 39 HG SER 39 -12.775 -3.665 1.341 321 H TYR 40 H TYR 40 -7.255 -2.953 1.329 322 HA TYR 40 HA TYR 40 -7.002 -1.598 3.933 323 1HB TYR 40 2HB TYR 40 -5.361 -3.524 3.134 324 2HB TYR 40 1HB TYR 40 -4.593 -2.190 2.276 325 HD1 TYR 40 1HD TYR 40 -4.701 -3.971 5.303 326 HD2 TYR 40 2HD TYR 40 -4.128 -0.050 3.753 327 HE1 TYR 40 1HE TYR 40 -3.531 -3.331 7.369 328 HE2 TYR 40 2HE TYR 40 -2.956 0.600 5.813 329 HH TYR 40 HH TYR 40 -2.892 -0.151 8.212 330 H THR 41 H THR 41 -7.650 0.437 3.556 331 HA THR 41 HA THR 41 -6.332 1.897 1.360 332 HB THR 41 HB THR 41 -8.505 3.445 1.910 333 HG1 THR 41 1HG THR 41 -10.076 1.369 1.685 334 1HG2 THR 41 1HG2 THR 41 -8.595 3.171 -0.299 335 2HG2 THR 41 2HG2 THR 41 -9.367 1.606 -0.050 336 3HG2 THR 41 3HG2 THR 41 -7.612 1.711 -0.188 337 H ILE 42 H ILE 42 -5.163 3.634 1.915 338 HA ILE 42 HA ILE 42 -4.889 4.298 4.709 339 HB ILE 42 HB ILE 42 -3.569 5.797 2.467 340 1HG1 ILE 42 2HG1 ILE 42 -2.256 3.396 3.671 341 2HG1 ILE 42 1HG1 ILE 42 -3.432 3.155 2.383 342 1HG2 ILE 42 1HG2 ILE 42 -3.227 5.504 5.367 343 2HG2 ILE 42 2HG2 ILE 42 -2.821 6.851 4.303 344 3HG2 ILE 42 3HG2 ILE 42 -1.733 5.468 4.431 345 1HD1 ILE 42 1HD1 ILE 42 -1.196 3.234 1.483 346 2HD1 ILE 42 2HD1 ILE 42 -0.926 4.812 2.223 347 3HD1 ILE 42 3HD1 ILE 42 -2.117 4.634 0.934 348 H LYS 43 H LYS 43 -6.079 5.762 5.717 349 HA LYS 43 HA LYS 43 -7.384 7.866 4.135 350 1HB LYS 43 2HB LYS 43 -8.344 6.114 6.170 351 2HB LYS 43 1HB LYS 43 -8.422 7.759 6.787 352 1HG LYS 43 2HG LYS 43 -10.177 8.242 5.517 353 2HG LYS 43 1HG LYS 43 -9.390 7.603 4.072 354 1HD LYS 43 2HD LYS 43 -9.986 5.307 5.365 355 2HD LYS 43 1HD LYS 43 -11.317 6.331 5.902 356 1HE LYS 43 2HE LYS 43 -10.649 6.378 3.016 357 2HE LYS 43 1HE LYS 43 -11.402 4.913 3.641 358 1HZ LYS 43 1HZ LYS 43 -13.284 6.114 4.337 359 2HZ LYS 43 2HZ LYS 43 -12.951 6.676 2.778 360 3HZ LYS 43 3HZ LYS 43 -12.527 7.611 4.121 361 H GLY 44 H GLY 44 -7.971 9.761 5.901 362 1HA GLY 44 2HA GLY 44 -7.147 11.479 7.203 363 2HA GLY 44 1HA GLY 44 -5.822 10.423 7.671 364 H LEU 45 H LEU 45 -6.844 11.655 4.499 365 HA LEU 45 HA LEU 45 -4.308 13.114 4.291 366 1HB LEU 45 2HB LEU 45 -5.079 11.891 1.775 367 2HB LEU 45 1HB LEU 45 -3.518 11.918 2.575 368 HG LEU 45 HG LEU 45 -5.372 10.090 3.873 369 1HD1 LEU 45 1HD1 LEU 45 -6.383 9.454 1.937 370 2HD1 LEU 45 2HD1 LEU 45 -4.935 8.450 1.839 371 3HD1 LEU 45 3HD1 LEU 45 -5.024 9.958 0.931 372 1HD2 LEU 45 1HD2 LEU 45 -2.732 9.562 2.525 373 2HD2 LEU 45 2HD2 LEU 45 -3.495 8.631 3.815 374 3HD2 LEU 45 3HD2 LEU 45 -2.880 10.252 4.141 375 H LYS 46 H LYS 46 -4.321 14.619 2.329 376 HA LYS 46 HA LYS 46 -6.981 15.402 1.480 377 1HB LYS 46 2HB LYS 46 -6.674 17.747 2.135 378 2HB LYS 46 1HB LYS 46 -6.708 16.673 3.524 379 1HG LYS 46 2HG LYS 46 -4.809 17.577 4.201 380 2HG LYS 46 1HG LYS 46 -4.020 16.899 2.777 381 1HD LYS 46 2HD LYS 46 -4.077 18.873 1.632 382 2HD LYS 46 1HD LYS 46 -5.547 19.422 2.438 383 1HE LYS 46 2HE LYS 46 -3.276 20.571 2.969 384 2HE LYS 46 1HE LYS 46 -4.403 20.214 4.276 385 1HZ LYS 46 1HZ LYS 46 -3.078 18.575 5.098 386 2HZ LYS 46 2HZ LYS 46 -1.879 19.565 4.432 387 3HZ LYS 46 3HZ LYS 46 -2.400 18.190 3.596 388 HA PRO 47 HA PRO 47 -4.776 15.652 -2.403 389 1HB PRO 47 2HB PRO 47 -7.167 17.369 -2.940 390 2HB PRO 47 1HB PRO 47 -6.450 16.097 -3.936 391 1HG PRO 47 2HG PRO 47 -8.657 15.630 -2.523 392 2HG PRO 47 1HG PRO 47 -7.397 14.393 -2.680 393 1HD PRO 47 2HD PRO 47 -8.095 16.102 -0.350 394 2HD PRO 47 1HD PRO 47 -7.415 14.463 -0.389 395 H GLY 48 H GLY 48 -3.022 16.907 -2.109 396 1HA GLY 48 2HA GLY 48 -2.983 19.563 -2.971 397 2HA GLY 48 1HA GLY 48 -3.016 19.582 -1.212 398 H VAL 49 H VAL 49 -1.560 17.107 -0.941 399 HA VAL 49 HA VAL 49 1.130 18.053 -1.675 400 HB VAL 49 HB VAL 49 1.334 17.995 0.588 401 1HG1 VAL 49 1HG1 VAL 49 -0.066 16.860 2.120 402 2HG1 VAL 49 2HG1 VAL 49 -0.627 15.730 0.888 403 3HG1 VAL 49 3HG1 VAL 49 -1.107 17.425 0.814 404 1HG2 VAL 49 1HG2 VAL 49 2.126 15.448 -0.537 405 2HG2 VAL 49 2HG2 VAL 49 1.699 15.279 1.166 406 3HG2 VAL 49 3HG2 VAL 49 2.932 16.440 0.676 407 H VAL 50 H VAL 50 2.446 16.706 -2.834 408 HA VAL 50 HA VAL 50 1.212 14.438 -4.082 409 HB VAL 50 HB VAL 50 2.732 15.892 -5.346 410 1HG1 VAL 50 1HG1 VAL 50 5.203 15.604 -4.957 411 2HG1 VAL 50 2HG1 VAL 50 4.790 14.860 -3.412 412 3HG1 VAL 50 3HG1 VAL 50 4.340 16.535 -3.734 413 1HG2 VAL 50 1HG2 VAL 50 2.435 13.700 -6.216 414 2HG2 VAL 50 2HG2 VAL 50 3.568 13.014 -5.052 415 3HG2 VAL 50 3HG2 VAL 50 4.155 14.072 -6.335 416 H TYR 51 H TYR 51 1.629 12.297 -3.803 417 HA TYR 51 HA TYR 51 3.411 11.569 -1.581 418 1HB TYR 51 2HB TYR 51 0.584 11.214 -1.820 419 2HB TYR 51 1HB TYR 51 1.341 9.632 -1.859 420 HD1 TYR 51 1HD TYR 51 -0.356 9.717 0.196 421 HD2 TYR 51 2HD TYR 51 3.449 11.617 0.123 422 HE1 TYR 51 1HE TYR 51 -0.302 9.708 2.654 423 HE2 TYR 51 2HE TYR 51 3.509 11.616 2.563 424 HH TYR 51 HH TYR 51 1.662 11.564 4.456 425 H GLU 52 H GLU 52 4.608 9.739 -1.757 426 HA GLU 52 HA GLU 52 4.421 8.301 -4.325 427 1HB GLU 52 2HB GLU 52 6.829 7.853 -4.170 428 2HB GLU 52 1HB GLU 52 6.511 9.580 -4.200 429 1HG GLU 52 2HG GLU 52 6.769 9.619 -1.739 430 2HG GLU 52 1HG GLU 52 7.216 7.914 -1.797 431 H GLY 53 H GLY 53 4.025 6.170 -4.175 432 1HA GLY 53 2HA GLY 53 4.086 5.015 -1.464 433 2HA GLY 53 1HA GLY 53 2.958 4.543 -2.721 434 H GLN 54 H GLN 54 4.980 3.109 -1.030 435 HA GLN 54 HA GLN 54 6.203 1.601 -3.239 436 1HB GLN 54 2HB GLN 54 7.538 2.591 -0.729 437 2HB GLN 54 1HB GLN 54 8.150 1.190 -1.597 438 1HG GLN 54 2HG GLN 54 7.693 3.417 -3.375 439 2HG GLN 54 1HG GLN 54 8.777 3.849 -2.054 440 1HE2 GLN 54 1HE2 GLN 54 10.591 3.989 -3.324 441 2HE2 GLN 54 2HE2 GLN 54 11.343 2.613 -4.048 442 H LEU 55 H LEU 55 5.317 -0.367 -3.197 443 HA LEU 55 HA LEU 55 4.561 -1.506 -0.594 444 1HB LEU 55 2HB LEU 55 3.336 -1.525 -3.235 445 2HB LEU 55 1HB LEU 55 3.491 -3.139 -2.571 446 HG LEU 55 HG LEU 55 1.953 -0.813 -1.437 447 1HD1 LEU 55 1HD1 LEU 55 0.805 -2.126 -3.118 448 2HD1 LEU 55 2HD1 LEU 55 0.096 -2.416 -1.529 449 3HD1 LEU 55 3HD1 LEU 55 1.178 -3.611 -2.242 450 1HD2 LEU 55 1HD2 LEU 55 2.556 -1.551 0.594 451 2HD2 LEU 55 2HD2 LEU 55 3.174 -3.077 -0.036 452 3HD2 LEU 55 3HD2 LEU 55 1.447 -2.881 0.260 453 H ILE 56 H ILE 56 6.156 -2.732 0.182 454 HA ILE 56 HA ILE 56 7.546 -4.537 -1.683 455 HB ILE 56 HB ILE 56 8.541 -3.491 0.970 456 1HG1 ILE 56 2HG1 ILE 56 10.318 -2.525 -0.731 457 2HG1 ILE 56 1HG1 ILE 56 8.990 -2.671 -1.877 458 1HG2 ILE 56 1HG2 ILE 56 10.716 -4.507 0.086 459 2HG2 ILE 56 2HG2 ILE 56 9.695 -5.398 -1.044 460 3HG2 ILE 56 3HG2 ILE 56 9.488 -5.619 0.693 461 1HD1 ILE 56 1HD1 ILE 56 8.228 -1.375 0.615 462 2HD1 ILE 56 2HD1 ILE 56 7.949 -0.886 -1.056 463 3HD1 ILE 56 3HD1 ILE 56 9.488 -0.520 -0.275 464 H SER 57 H SER 57 7.116 -6.614 -1.484 465 HA SER 57 HA SER 57 5.694 -7.598 0.848 466 1HB SER 57 2HB SER 57 4.788 -9.098 -0.562 467 2HB SER 57 1HB SER 57 5.542 -8.172 -1.859 468 HG SER 57 HG SER 57 6.757 -10.336 -0.482 469 H ILE 58 H ILE 58 6.557 -8.822 2.362 470 HA ILE 58 HA ILE 58 9.360 -9.657 2.017 471 HB ILE 58 HB ILE 58 7.880 -8.886 4.527 472 1HG1 ILE 58 2HG1 ILE 58 8.850 -7.167 2.835 473 2HG1 ILE 58 1HG1 ILE 58 9.185 -6.957 4.550 474 1HG2 ILE 58 1HG2 ILE 58 9.966 -9.316 5.733 475 2HG2 ILE 58 2HG2 ILE 58 10.693 -9.944 4.254 476 3HG2 ILE 58 3HG2 ILE 58 9.332 -10.787 4.994 477 1HD1 ILE 58 1HD1 ILE 58 11.085 -8.338 2.680 478 2HD1 ILE 58 2HD1 ILE 58 11.402 -7.722 4.302 479 3HD1 ILE 58 3HD1 ILE 58 11.114 -6.600 2.973 480 H GLN 59 H GLN 59 9.749 -11.733 1.937 481 HA GLN 59 HA GLN 59 7.837 -13.605 3.169 482 1HB GLN 59 2HB GLN 59 8.299 -13.428 0.510 483 2HB GLN 59 1HB GLN 59 9.543 -14.585 0.959 484 1HG GLN 59 2HG GLN 59 7.892 -16.060 1.907 485 2HG GLN 59 1HG GLN 59 6.620 -14.878 1.603 486 1HE2 GLN 59 1HE2 GLN 59 5.447 -16.277 0.314 487 2HE2 GLN 59 2HE2 GLN 59 5.956 -16.726 -1.274 488 H GLN 60 H GLN 60 9.128 -15.910 3.144 489 HA GLN 60 HA GLN 60 10.966 -15.703 5.249 490 1HB GLN 60 2HB GLN 60 11.481 -18.177 4.075 491 2HB GLN 60 1HB GLN 60 10.345 -17.845 5.373 492 1HG GLN 60 2HG GLN 60 8.522 -17.840 3.957 493 2HG GLN 60 1HG GLN 60 9.502 -17.513 2.529 494 1HE2 GLN 60 1HE2 GLN 60 7.697 -19.444 2.307 495 2HE2 GLN 60 2HE2 GLN 60 8.434 -21.006 2.315 496 H TYR 61 H TYR 61 11.420 -15.463 1.840 497 HA TYR 61 HA TYR 61 14.325 -15.785 2.139 498 1HB TYR 61 2HB TYR 61 13.176 -15.330 -0.554 499 2HB TYR 61 1HB TYR 61 14.459 -16.422 -0.044 500 HD1 TYR 61 1HD TYR 61 13.713 -18.520 1.301 501 HD2 TYR 61 2HD TYR 61 11.082 -16.173 -1.078 502 HE1 TYR 61 1HE TYR 61 12.150 -20.415 1.172 503 HE2 TYR 61 2HE TYR 61 9.512 -18.056 -1.212 504 HH TYR 61 HH TYR 61 9.129 -20.265 0.506 505 H GLY 62 H GLY 62 12.466 -13.394 2.788 506 1HA GLY 62 2HA GLY 62 13.210 -11.157 3.026 507 2HA GLY 62 1HA GLY 62 14.288 -11.398 1.658 508 H HIS 63 H HIS 63 13.297 -9.216 1.146 509 HA HIS 63 HA HIS 63 10.635 -8.878 0.412 510 1HB HIS 63 2HB HIS 63 11.689 -7.174 -1.274 511 2HB HIS 63 1HB HIS 63 11.780 -6.877 0.460 512 HD2 HIS 63 2HD HIS 63 14.150 -5.545 0.504 513 HE1 HIS 63 1HE HIS 63 16.436 -8.597 -1.332 514 HE2 HIS 63 2HE HIS 63 16.500 -6.274 -0.319 515 H GLN 64 H GLN 64 9.584 -8.875 -1.640 516 HA GLN 64 HA GLN 64 10.908 -10.314 -3.797 517 1HB GLN 64 2HB GLN 64 8.177 -11.272 -3.125 518 2HB GLN 64 1HB GLN 64 9.519 -12.132 -3.866 519 1HG GLN 64 2HG GLN 64 10.105 -11.381 -1.133 520 2HG GLN 64 1HG GLN 64 8.638 -12.358 -1.255 521 1HE2 GLN 64 1HE2 GLN 64 10.661 -13.456 0.071 522 2HE2 GLN 64 2HE2 GLN 64 11.419 -14.703 -0.854 523 H GLU 65 H GLU 65 7.801 -8.912 -2.757 524 HA GLU 65 HA GLU 65 7.284 -8.060 -5.508 525 1HB GLU 65 2HB GLU 65 5.647 -9.187 -3.641 526 2HB GLU 65 1HB GLU 65 5.273 -7.482 -3.438 527 1HG GLU 65 2HG GLU 65 3.994 -7.505 -5.240 528 2HG GLU 65 1HG GLU 65 5.331 -8.096 -6.227 529 H VAL 66 H VAL 66 7.807 -6.063 -6.116 530 HA VAL 66 HA VAL 66 7.530 -3.895 -4.155 531 HB VAL 66 HB VAL 66 9.833 -4.100 -4.084 532 1HG1 VAL 66 1HG1 VAL 66 9.716 -4.781 -7.009 533 2HG1 VAL 66 2HG1 VAL 66 10.189 -5.821 -5.666 534 3HG1 VAL 66 3HG1 VAL 66 11.223 -4.474 -6.146 535 1HG2 VAL 66 1HG2 VAL 66 9.269 -1.816 -4.634 536 2HG2 VAL 66 2HG2 VAL 66 9.292 -2.192 -6.357 537 3HG2 VAL 66 3HG2 VAL 66 10.786 -2.255 -5.421 538 H THR 67 H THR 67 6.179 -2.415 -4.889 539 HA THR 67 HA THR 67 6.194 -1.736 -7.745 540 HB THR 67 HB THR 67 3.661 -2.164 -6.149 541 HG1 THR 67 1HG THR 67 5.131 -3.807 -7.880 542 1HG2 THR 67 1HG2 THR 67 4.195 -1.333 -8.993 543 2HG2 THR 67 2HG2 THR 67 3.249 -0.488 -7.768 544 3HG2 THR 67 3HG2 THR 67 2.642 -1.988 -8.471 545 H ARG 68 H ARG 68 6.042 0.403 -8.161 546 HA ARG 68 HA ARG 68 5.675 2.181 -5.844 547 1HB ARG 68 2HB ARG 68 6.908 3.082 -8.420 548 2HB ARG 68 1HB ARG 68 7.159 3.698 -6.794 549 1HG ARG 68 2HG ARG 68 8.628 1.998 -6.236 550 2HG ARG 68 1HG ARG 68 8.039 0.934 -7.516 551 1HD ARG 68 2HD ARG 68 10.220 1.777 -8.112 552 2HD ARG 68 1HD ARG 68 9.008 2.470 -9.189 553 HE ARG 68 HE ARG 68 10.316 3.900 -6.969 554 1HH1 ARG 68 1HH1 ARG 68 8.623 3.878 -10.017 555 2HH1 ARG 68 2HH1 ARG 68 8.799 5.581 -10.272 556 1HH2 ARG 68 1HH2 ARG 68 10.548 6.143 -7.299 557 2HH2 ARG 68 2HH2 ARG 68 9.894 6.869 -8.728 558 H PHE 69 H PHE 69 4.266 3.882 -5.921 559 HA PHE 69 HA PHE 69 2.834 4.513 -8.365 560 1HB PHE 69 2HB PHE 69 0.631 4.296 -6.961 561 2HB PHE 69 1HB PHE 69 1.308 2.880 -7.761 562 HD1 PHE 69 1HD PHE 69 0.697 4.522 -4.556 563 HD2 PHE 69 2HD PHE 69 2.334 1.100 -6.484 564 HE1 PHE 69 1HE PHE 69 0.766 3.344 -2.397 565 HE2 PHE 69 2HE PHE 69 2.404 -0.085 -4.331 566 HZ PHE 69 HZ PHE 69 1.620 1.036 -2.283 567 H ASP 70 H ASP 70 2.559 6.640 -8.468 568 HA ASP 70 HA ASP 70 2.864 8.189 -6.002 569 1HB ASP 70 2HB ASP 70 2.713 9.876 -8.303 570 2HB ASP 70 1HB ASP 70 4.089 9.588 -7.240 571 H PHE 71 H PHE 71 1.191 9.100 -5.069 572 HA PHE 71 HA PHE 71 -1.178 9.772 -6.665 573 1HB PHE 71 2HB PHE 71 -2.598 8.919 -4.761 574 2HB PHE 71 1HB PHE 71 -1.770 7.672 -5.695 575 HD1 PHE 71 1HD PHE 71 0.430 6.770 -4.743 576 HD2 PHE 71 2HD PHE 71 -2.381 9.001 -2.456 577 HE1 PHE 71 1HE PHE 71 1.398 5.858 -2.674 578 HE2 PHE 71 2HE PHE 71 -1.416 8.095 -0.383 579 HZ PHE 71 HZ PHE 71 0.475 6.522 -0.489 580 H THR 72 H THR 72 -2.558 11.392 -5.661 581 HA THR 72 HA THR 72 -1.008 13.081 -3.817 582 HB THR 72 HB THR 72 -2.102 15.003 -4.703 583 HG1 THR 72 1HG THR 72 -3.624 13.635 -6.588 584 1HG2 THR 72 1HG2 THR 72 -0.554 14.835 -6.314 585 2HG2 THR 72 2HG2 THR 72 -1.858 14.241 -7.344 586 3HG2 THR 72 3HG2 THR 72 -0.814 13.100 -6.494 587 H THR 73 H THR 73 -1.780 13.684 -1.942 588 HA THR 73 HA THR 73 -4.358 14.094 -1.088 589 HB THR 73 HB THR 73 -4.181 11.805 0.452 590 HG1 THR 73 1HG THR 73 -2.742 10.738 -0.838 591 1HG2 THR 73 1HG2 THR 73 -6.325 12.015 -0.129 592 2HG2 THR 73 2HG2 THR 73 -5.924 11.125 -1.597 593 3HG2 THR 73 3HG2 THR 73 -5.913 12.890 -1.602 594 H THR 74 H THR 74 -2.640 11.921 0.960 595 HA THR 74 HA THR 74 -1.615 12.173 2.964 596 HB THR 74 HB THR 74 0.477 12.542 2.408 597 HG1 THR 74 1HG THR 74 0.345 14.452 3.602 598 1HG2 THR 74 1HG2 THR 74 -0.416 12.592 0.053 599 2HG2 THR 74 2HG2 THR 74 1.133 13.402 0.291 600 3HG2 THR 74 3HG2 THR 74 -0.348 14.353 0.149 601 H SER 75 H SER 75 -1.651 13.148 4.898 602 HA SER 75 HA SER 75 -1.902 15.894 5.394 603 1HB SER 75 2HB SER 75 -4.211 15.302 4.383 604 2HB SER 75 1HB SER 75 -4.513 14.495 5.921 605 HG SER 75 HG SER 75 -4.670 16.374 6.883 606 H THR 76 H THR 76 -3.264 15.968 7.759 607 HA THR 76 HA THR 76 -1.848 13.968 9.398 608 HB THR 76 HB THR 76 -1.540 15.588 11.125 609 HG1 THR 76 1HG THR 76 -3.438 17.018 9.656 610 1HG2 THR 76 1HG2 THR 76 0.092 15.682 9.299 611 2HG2 THR 76 2HG2 THR 76 -0.156 17.274 10.018 612 3HG2 THR 76 3HG2 THR 76 -0.903 16.879 8.470 613 H SER 77 H SER 77 -2.914 13.079 11.158 614 HA SER 77 HA SER 77 -4.668 12.281 12.362 615 1HB SER 77 2HB SER 77 -4.860 14.665 13.061 616 2HB SER 77 1HB SER 77 -5.990 14.930 11.733 617 HG SER 77 HG SER 77 -6.613 14.167 14.114 618 H THR 78 H THR 78 -7.170 11.904 12.213 619 HA THR 78 HA THR 78 -8.075 11.734 9.441 620 HB THR 78 HB THR 78 -8.260 9.271 11.154 621 HG1 THR 78 1HG THR 78 -6.370 8.663 9.659 622 1HG2 THR 78 1HG2 THR 78 -8.460 8.166 8.969 623 2HG2 THR 78 2HG2 THR 78 -8.289 9.727 8.167 624 3HG2 THR 78 3HG2 THR 78 -9.695 9.407 9.181 625 HA PRO 79 HA PRO 79 -11.369 13.070 12.480 626 1HB PRO 79 2HB PRO 79 -12.187 14.542 10.035 627 2HB PRO 79 1HB PRO 79 -12.054 15.112 11.701 628 1HG PRO 79 2HG PRO 79 -10.249 15.813 9.867 629 2HG PRO 79 1HG PRO 79 -9.768 15.465 11.538 630 1HD PRO 79 2HD PRO 79 -9.501 13.764 9.092 631 2HD PRO 79 1HD PRO 79 -8.373 13.977 10.447 632 H GLY 80 H GLY 80 -12.468 13.169 9.116 633 1HA GLY 80 2HA GLY 80 -13.559 10.623 8.894 634 2HA GLY 80 1HA GLY 80 -14.779 11.620 9.670 635 H SER 81 H SER 81 -15.866 10.865 7.587 636 HA SER 81 HA SER 81 -15.524 12.996 5.601 637 1HB SER 81 2HB SER 81 -15.721 11.448 3.750 638 2HB SER 81 1HB SER 81 -14.385 10.929 4.777 639 HG SER 81 HG SER 81 -15.967 9.278 4.052 640 H ARG 82 H ARG 82 -17.495 12.182 3.825 641 HA ARG 82 HA ARG 82 -19.898 12.472 5.495 642 1HB ARG 82 2HB ARG 82 -19.620 13.114 2.558 643 2HB ARG 82 1HB ARG 82 -20.950 13.552 3.621 644 1HG ARG 82 2HG ARG 82 -19.819 15.287 4.554 645 2HG ARG 82 1HG ARG 82 -18.246 14.511 4.359 646 1HD ARG 82 2HD ARG 82 -18.096 16.176 2.788 647 2HD ARG 82 1HD ARG 82 -18.739 14.859 1.809 648 HE ARG 82 HE ARG 82 -20.299 17.129 2.846 649 1HH1 ARG 82 1HH1 ARG 82 -19.876 14.478 0.624 650 2HH1 ARG 82 2HH1 ARG 82 -21.252 14.898 -0.340 651 1HH2 ARG 82 1HH2 ARG 82 -22.111 17.690 1.581 652 2HH2 ARG 82 2HH2 ARG 82 -22.521 16.724 0.203 653 H SER 83 H SER 83 -21.687 11.187 5.183 654 HA SER 83 HA SER 83 -22.806 9.251 4.770 655 1HB SER 83 2HB SER 83 -21.556 9.302 2.024 656 2HB SER 83 1HB SER 83 -23.143 8.687 2.490 657 HG SER 83 HG SER 83 -23.446 11.033 3.174 658 H HIS 84 H HIS 84 -20.420 8.855 6.096 659 HA HIS 84 HA HIS 84 -19.699 6.183 5.135 660 1HB HIS 84 2HB HIS 84 -17.981 8.348 4.896 661 2HB HIS 84 1HB HIS 84 -17.440 7.550 6.369 662 HD2 HIS 84 2HD HIS 84 -18.126 6.492 2.627 663 HE1 HIS 84 1HE HIS 84 -15.033 4.125 4.282 664 HE2 HIS 84 2HE HIS 84 -16.505 4.502 2.253 665 H HIS 85 H HIS 85 -21.167 7.747 7.439 666 HA HIS 85 HA HIS 85 -19.900 6.333 9.681 667 1HB HIS 85 2HB HIS 85 -21.530 7.860 11.021 668 2HB HIS 85 1HB HIS 85 -20.073 8.563 10.325 669 HD2 HIS 85 2HD HIS 85 -23.934 8.484 9.632 670 HE1 HIS 85 1HE HIS 85 -22.177 11.759 7.607 671 HE2 HIS 85 2HE HIS 85 -24.333 10.499 8.047 672 H HIS 86 H HIS 86 -22.187 6.420 11.377 673 HA HIS 86 HA HIS 86 -23.684 4.183 10.235 674 1HB HIS 86 2HB HIS 86 -24.573 4.280 12.773 675 2HB HIS 86 1HB HIS 86 -23.105 3.431 12.304 676 HD2 HIS 86 2HD HIS 86 -23.887 7.120 13.515 677 HE1 HIS 86 1HE HIS 86 -20.280 5.722 15.232 678 HE2 HIS 86 2HE HIS 86 -21.814 7.721 14.954 679 H HIS 87 H HIS 87 -24.563 6.196 8.907 680 HA HIS 87 HA HIS 87 -26.347 7.489 8.349 681 1HB HIS 87 2HB HIS 87 -27.345 5.148 9.566 682 2HB HIS 87 1HB HIS 87 -28.315 6.479 10.188 683 HD2 HIS 87 2HD HIS 87 -28.425 4.126 7.362 684 HE1 HIS 87 1HE HIS 87 -30.230 7.669 5.914 685 HE2 HIS 87 2HE HIS 87 -30.011 5.164 5.590 686 H HIS 88 H HIS 88 -28.499 8.498 9.751 687 HA HIS 88 HA HIS 88 -27.428 9.832 12.114 688 1HB HIS 88 2HB HIS 88 -27.344 11.063 9.605 689 2HB HIS 88 1HB HIS 88 -28.739 11.775 10.408 690 HD2 HIS 88 2HD HIS 88 -28.054 13.954 11.770 691 HE1 HIS 88 1HE HIS 88 -24.084 12.821 12.704 692 HE2 HIS 88 2HE HIS 88 -25.779 14.706 12.766 693 H HIS 89 H HIS 89 -29.076 11.068 13.286 694 HA HIS 89 HA HIS 89 -31.587 9.646 13.280 695 1HB HIS 89 2HB HIS 89 -30.069 11.248 15.155 696 2HB HIS 89 1HB HIS 89 -31.756 11.750 15.121 697 HD2 HIS 89 2HD HIS 89 -33.613 9.685 15.787 698 HE1 HIS 89 1HE HIS 89 -30.641 7.331 17.669 699 HE2 HIS 89 2HE HIS 89 -33.122 7.569 17.206 Start of MODEL 9 1 1H MET 1 1HT MET 1 -6.704 -18.064 27.702 2 2H MET 1 2HT MET 1 -7.152 -16.899 28.844 3 3H MET 1 3HT MET 1 -5.722 -16.710 27.960 4 HA MET 1 HA MET 1 -8.442 -16.730 26.786 5 1HB MET 1 2HB MET 1 -6.574 -14.433 27.415 6 2HB MET 1 1HB MET 1 -8.081 -14.289 26.520 7 1HG MET 1 2HG MET 1 -9.136 -15.358 28.637 8 2HG MET 1 1HG MET 1 -7.648 -14.831 29.421 9 1HE MET 1 1HE MET 1 -9.429 -13.411 31.073 10 2HE MET 1 2HE MET 1 -10.731 -14.011 30.047 11 3HE MET 1 3HE MET 1 -10.601 -12.286 30.390 12 H ARG 2 H ARG 2 -8.234 -15.393 24.636 13 HA ARG 2 HA ARG 2 -6.137 -16.716 23.085 14 1HB ARG 2 2HB ARG 2 -8.715 -15.359 22.301 15 2HB ARG 2 1HB ARG 2 -7.531 -15.910 21.123 16 1HG ARG 2 2HG ARG 2 -8.102 -18.031 22.952 17 2HG ARG 2 1HG ARG 2 -9.611 -17.379 22.307 18 1HD ARG 2 2HD ARG 2 -7.245 -18.335 20.700 19 2HD ARG 2 1HD ARG 2 -8.777 -19.184 20.903 20 HE ARG 2 HE ARG 2 -9.675 -16.972 19.832 21 1HH1 ARG 2 1HH1 ARG 2 -6.774 -18.716 19.004 22 2HH1 ARG 2 2HH1 ARG 2 -6.797 -18.221 17.344 23 1HH2 ARG 2 1HH2 ARG 2 -9.710 -16.314 17.648 24 2HH2 ARG 2 2HH2 ARG 2 -8.464 -16.857 16.574 25 H GLY 3 H GLY 3 -4.357 -15.411 23.540 26 1HA GLY 3 2HA GLY 3 -4.003 -13.177 21.842 27 2HA GLY 3 1HA GLY 3 -4.279 -12.623 23.486 28 H SER 4 H SER 4 -2.147 -14.486 21.406 29 HA SER 4 HA SER 4 0.072 -13.850 23.193 30 1HB SER 4 2HB SER 4 -0.901 -16.216 23.649 31 2HB SER 4 1HB SER 4 -0.143 -16.650 22.117 32 HG SER 4 HG SER 4 1.789 -15.556 23.186 33 H ASN 5 H ASN 5 -0.826 -12.925 20.569 34 HA ASN 5 HA ASN 5 0.013 -12.396 18.524 35 1HB ASN 5 2HB ASN 5 2.720 -13.310 19.470 36 2HB ASN 5 1HB ASN 5 2.321 -11.986 18.378 37 1HD2 ASN 5 1HD2 ASN 5 1.067 -10.188 19.359 38 2HD2 ASN 5 2HD2 ASN 5 1.470 -9.720 20.973 39 H ALA 6 H ALA 6 -1.076 -14.033 17.403 40 HA ALA 6 HA ALA 6 0.604 -16.335 16.649 41 1HB ALA 6 1HB ALA 6 -1.405 -17.650 16.343 42 2HB ALA 6 2HB ALA 6 -2.409 -16.261 16.759 43 3HB ALA 6 3HB ALA 6 -1.364 -16.991 17.977 44 HA PRO 7 HA PRO 7 0.254 -13.949 12.758 45 1HB PRO 7 2HB PRO 7 2.308 -15.930 11.966 46 2HB PRO 7 1HB PRO 7 2.339 -14.168 11.847 47 1HG PRO 7 2HG PRO 7 3.811 -15.453 13.668 48 2HG PRO 7 1HG PRO 7 3.039 -13.899 14.037 49 1HD PRO 7 2HD PRO 7 2.205 -16.665 14.822 50 2HD PRO 7 1HD PRO 7 2.169 -15.163 15.771 51 H GLN 8 H GLN 8 -1.446 -14.456 11.533 52 HA GLN 8 HA GLN 8 -2.108 -17.231 10.985 53 1HB GLN 8 2HB GLN 8 -3.515 -14.637 10.334 54 2HB GLN 8 1HB GLN 8 -4.122 -16.220 9.866 55 1HG GLN 8 2HG GLN 8 -3.480 -15.754 12.726 56 2HG GLN 8 1HG GLN 8 -4.933 -15.012 12.058 57 1HE2 GLN 8 1HE2 GLN 8 -5.113 -16.855 14.059 58 2HE2 GLN 8 2HE2 GLN 8 -5.811 -18.315 13.455 59 HA PRO 9 HA PRO 9 0.077 -16.808 7.063 60 1HB PRO 9 2HB PRO 9 0.155 -19.420 6.450 61 2HB PRO 9 1HB PRO 9 1.196 -18.729 7.701 62 1HG PRO 9 2HG PRO 9 -1.362 -20.255 7.997 63 2HG PRO 9 1HG PRO 9 0.140 -20.398 8.929 64 1HD PRO 9 2HD PRO 9 -2.051 -19.001 9.788 65 2HD PRO 9 1HD PRO 9 -0.388 -18.628 10.285 66 H SER 10 H SER 10 -0.495 -16.961 4.881 67 HA SER 10 HA SER 10 -2.970 -18.229 4.096 68 1HB SER 10 2HB SER 10 -3.541 -15.815 3.023 69 2HB SER 10 1HB SER 10 -4.179 -16.356 4.575 70 HG SER 10 HG SER 10 -3.272 -14.330 4.841 71 H HIS 11 H HIS 11 -0.711 -15.692 3.002 72 HA HIS 11 HA HIS 11 -0.036 -17.350 0.692 73 1HB HIS 11 2HB HIS 11 -1.083 -14.522 0.543 74 2HB HIS 11 1HB HIS 11 -0.208 -15.293 -0.776 75 HD2 HIS 11 2HD HIS 11 -1.639 -17.079 -2.286 76 HE1 HIS 11 1HE HIS 11 -5.258 -16.640 -0.139 77 HE2 HIS 11 2HE HIS 11 -4.203 -17.463 -2.293 78 H ILE 12 H ILE 12 0.606 -13.939 1.407 79 HA ILE 12 HA ILE 12 3.464 -14.437 1.177 80 HB ILE 12 HB ILE 12 2.634 -12.518 -0.015 81 1HG1 ILE 12 2HG1 ILE 12 3.829 -10.775 1.867 82 2HG1 ILE 12 1HG1 ILE 12 4.617 -12.338 2.061 83 1HG2 ILE 12 1HG2 ILE 12 1.603 -10.610 1.171 84 2HG2 ILE 12 2HG2 ILE 12 1.565 -11.581 2.642 85 3HG2 ILE 12 3HG2 ILE 12 0.623 -12.075 1.234 86 1HD1 ILE 12 1HD1 ILE 12 5.468 -10.534 0.330 87 2HD1 ILE 12 2HD1 ILE 12 4.265 -11.316 -0.695 88 3HD1 ILE 12 3HD1 ILE 12 5.576 -12.264 0.008 89 H SER 13 H SER 13 4.966 -14.065 2.794 90 HA SER 13 HA SER 13 4.293 -14.650 5.422 91 1HB SER 13 2HB SER 13 6.676 -13.902 3.982 92 2HB SER 13 1HB SER 13 6.631 -13.071 5.537 93 HG SER 13 HG SER 13 7.614 -15.116 5.717 94 H LYS 14 H LYS 14 5.064 -11.483 3.999 95 HA LYS 14 HA LYS 14 3.099 -10.134 5.538 96 1HB LYS 14 2HB LYS 14 4.707 -8.693 6.829 97 2HB LYS 14 1HB LYS 14 4.591 -10.357 7.387 98 1HG LYS 14 2HG LYS 14 6.738 -10.780 6.941 99 2HG LYS 14 1HG LYS 14 6.683 -9.928 5.396 100 1HD LYS 14 2HD LYS 14 7.697 -8.165 6.294 101 2HD LYS 14 1HD LYS 14 6.443 -8.037 7.529 102 1HE LYS 14 2HE LYS 14 7.756 -10.026 8.621 103 2HE LYS 14 1HE LYS 14 9.085 -9.420 7.635 104 1HZ LYS 14 1HZ LYS 14 8.380 -7.159 8.692 105 2HZ LYS 14 2HZ LYS 14 9.370 -8.230 9.549 106 3HZ LYS 14 3HZ LYS 14 7.718 -8.146 9.898 107 H TYR 15 H TYR 15 2.721 -8.079 4.792 108 HA TYR 15 HA TYR 15 4.392 -7.207 2.526 109 1HB TYR 15 2HB TYR 15 1.563 -7.606 2.786 110 2HB TYR 15 1HB TYR 15 1.871 -5.901 2.482 111 HD1 TYR 15 1HD TYR 15 3.887 -5.663 0.583 112 HD2 TYR 15 2HD TYR 15 1.022 -8.791 0.902 113 HE1 TYR 15 1HE TYR 15 4.143 -6.133 -1.817 114 HE2 TYR 15 2HE TYR 15 1.270 -9.272 -1.496 115 HH TYR 15 HH TYR 15 2.518 -8.874 -3.334 116 H ILE 16 H ILE 16 5.382 -5.254 2.697 117 HA ILE 16 HA ILE 16 4.519 -3.506 4.908 118 HB ILE 16 HB ILE 16 7.267 -3.927 3.748 119 1HG1 ILE 16 2HG1 ILE 16 6.521 -5.458 5.545 120 2HG1 ILE 16 1HG1 ILE 16 7.872 -4.448 6.051 121 1HG2 ILE 16 1HG2 ILE 16 7.471 -2.058 5.821 122 2HG2 ILE 16 2HG2 ILE 16 6.142 -1.488 4.811 123 3HG2 ILE 16 3HG2 ILE 16 7.731 -1.774 4.101 124 1HD1 ILE 16 1HD1 ILE 16 5.135 -3.489 6.659 125 2HD1 ILE 16 2HD1 ILE 16 6.629 -3.320 7.580 126 3HD1 ILE 16 3HD1 ILE 16 5.760 -4.855 7.583 127 H LEU 17 H LEU 17 4.095 -1.424 4.532 128 HA LEU 17 HA LEU 17 4.345 -0.488 1.754 129 1HB LEU 17 2HB LEU 17 2.032 -0.830 3.087 130 2HB LEU 17 1HB LEU 17 2.420 0.804 3.592 131 HG LEU 17 HG LEU 17 2.782 0.646 0.767 132 1HD1 LEU 17 1HD1 LEU 17 -0.052 0.008 1.425 133 2HD1 LEU 17 2HD1 LEU 17 1.106 -1.314 1.273 134 3HD1 LEU 17 3HD1 LEU 17 0.839 -0.216 -0.081 135 1HD2 LEU 17 1HD2 LEU 17 0.944 2.091 2.647 136 2HD2 LEU 17 2HD2 LEU 17 0.813 2.285 0.899 137 3HD2 LEU 17 3HD2 LEU 17 2.310 2.720 1.724 138 H ARG 18 H ARG 18 5.915 0.969 1.562 139 HA ARG 18 HA ARG 18 6.388 2.803 3.818 140 1HB ARG 18 2HB ARG 18 8.244 1.506 1.863 141 2HB ARG 18 1HB ARG 18 8.670 3.077 2.527 142 1HG ARG 18 2HG ARG 18 9.275 2.200 4.481 143 2HG ARG 18 1HG ARG 18 7.827 1.196 4.574 144 1HD ARG 18 2HD ARG 18 8.820 -0.506 3.247 145 2HD ARG 18 1HD ARG 18 10.171 0.535 2.805 146 HE ARG 18 HE ARG 18 9.745 -0.715 5.430 147 1HH1 ARG 18 1HH1 ARG 18 11.792 0.974 3.168 148 2HH1 ARG 18 2HH1 ARG 18 13.234 0.730 4.096 149 1HH2 ARG 18 1HH2 ARG 18 11.640 -1.039 6.653 150 2HH2 ARG 18 2HH2 ARG 18 13.147 -0.413 6.075 151 H TRP 19 H TRP 19 6.033 4.914 3.472 152 HA TRP 19 HA TRP 19 6.338 6.025 0.825 153 1HB TRP 19 2HB TRP 19 4.138 6.649 0.392 154 2HB TRP 19 1HB TRP 19 3.970 5.019 1.031 155 HD1 TRP 19 HD TRP 19 3.063 8.626 1.761 156 HE1 TRP 19 1HE TRP 19 1.457 8.700 3.775 157 HE3 TRP 19 3HE TRP 19 3.418 3.752 3.257 158 HZ2 TRP 19 2HZ TRP 19 0.475 6.922 5.739 159 HZ3 TRP 19 3HZ TRP 19 2.115 3.018 5.210 160 HH2 TRP 19 HH TRP 19 0.675 4.570 6.425 161 H ARG 20 H ARG 20 6.157 8.293 0.724 162 HA ARG 20 HA ARG 20 5.931 9.881 3.103 163 1HB ARG 20 2HB ARG 20 8.219 10.791 2.985 164 2HB ARG 20 1HB ARG 20 8.227 9.072 3.353 165 1HG ARG 20 2HG ARG 20 9.252 8.524 1.423 166 2HG ARG 20 1HG ARG 20 8.421 9.778 0.499 167 1HD ARG 20 2HD ARG 20 9.885 11.470 1.393 168 2HD ARG 20 1HD ARG 20 10.643 10.295 2.467 169 HE ARG 20 HE ARG 20 11.606 9.247 0.512 170 1HH1 ARG 20 1HH1 ARG 20 10.188 12.394 0.033 171 2HH1 ARG 20 2HH1 ARG 20 11.104 12.728 -1.399 172 1HH2 ARG 20 1HH2 ARG 20 12.813 9.678 -1.372 173 2HH2 ARG 20 2HH2 ARG 20 12.594 11.186 -2.198 174 HA PRO 21 HA PRO 21 4.693 12.987 0.222 175 1HB PRO 21 2HB PRO 21 6.595 14.883 1.512 176 2HB PRO 21 1HB PRO 21 4.853 15.041 1.245 177 1HG PRO 21 2HG PRO 21 5.759 14.514 3.673 178 2HG PRO 21 1HG PRO 21 4.323 13.670 3.053 179 1HD PRO 21 2HD PRO 21 7.148 12.684 3.257 180 2HD PRO 21 1HD PRO 21 5.633 11.846 3.658 181 H LYS 22 H LYS 22 5.270 13.120 -1.834 182 HA LYS 22 HA LYS 22 8.001 12.827 -2.662 183 1HB LYS 22 2HB LYS 22 5.789 12.021 -3.821 184 2HB LYS 22 1HB LYS 22 5.805 13.630 -4.531 185 1HG LYS 22 2HG LYS 22 8.288 12.973 -5.124 186 2HG LYS 22 1HG LYS 22 7.639 11.338 -4.977 187 1HD LYS 22 2HD LYS 22 5.779 12.850 -6.480 188 2HD LYS 22 1HD LYS 22 7.382 13.185 -7.140 189 1HE LYS 22 2HE LYS 22 6.046 10.507 -6.802 190 2HE LYS 22 1HE LYS 22 6.502 11.302 -8.308 191 1HZ LYS 22 1HZ LYS 22 8.252 10.039 -6.293 192 2HZ LYS 22 2HZ LYS 22 8.863 11.168 -7.395 193 3HZ LYS 22 3HZ LYS 22 8.161 9.734 -7.955 194 H ASN 23 H ASN 23 5.667 15.459 -2.512 195 HA ASN 23 HA ASN 23 7.540 17.302 -3.760 196 1HB ASN 23 2HB ASN 23 5.771 18.831 -3.909 197 2HB ASN 23 1HB ASN 23 4.987 17.271 -4.139 198 1HD2 ASN 23 1HD2 ASN 23 3.674 16.443 -2.520 199 2HD2 ASN 23 2HD2 ASN 23 3.072 17.426 -1.233 200 H SER 24 H SER 24 6.254 16.522 -0.604 201 HA SER 24 HA SER 24 7.675 18.787 0.590 202 1HB SER 24 2HB SER 24 5.238 17.472 1.204 203 2HB SER 24 1HB SER 24 6.341 17.170 2.546 204 HG SER 24 HG SER 24 6.360 19.760 1.628 205 H VAL 25 H VAL 25 8.779 18.290 2.721 206 HA VAL 25 HA VAL 25 10.338 15.803 2.450 207 HB VAL 25 HB VAL 25 11.826 17.590 2.024 208 1HG1 VAL 25 1HG1 VAL 25 10.405 18.952 4.271 209 2HG1 VAL 25 2HG1 VAL 25 10.760 19.541 2.647 210 3HG1 VAL 25 3HG1 VAL 25 12.048 19.430 3.847 211 1HG2 VAL 25 1HG2 VAL 25 12.357 17.236 4.940 212 2HG2 VAL 25 2HG2 VAL 25 13.478 17.201 3.580 213 3HG2 VAL 25 3HG2 VAL 25 12.405 15.833 3.871 214 H GLY 26 H GLY 26 10.356 14.432 4.127 215 1HA GLY 26 2HA GLY 26 10.066 15.273 6.843 216 2HA GLY 26 1HA GLY 26 8.584 14.556 6.231 217 H ARG 27 H ARG 27 8.370 12.488 6.727 218 HA ARG 27 HA ARG 27 10.734 10.755 6.612 219 1HB ARG 27 2HB ARG 27 8.915 11.193 8.941 220 2HB ARG 27 1HB ARG 27 9.576 9.585 8.678 221 1HG ARG 27 2HG ARG 27 11.830 10.458 8.794 222 2HG ARG 27 1HG ARG 27 11.207 12.100 8.967 223 1HD ARG 27 2HD ARG 27 10.330 10.004 10.898 224 2HD ARG 27 1HD ARG 27 11.939 10.704 11.069 225 HE ARG 27 HE ARG 27 10.282 12.858 10.835 226 1HH1 ARG 27 1HH1 ARG 27 10.440 10.099 12.960 227 2HH1 ARG 27 2HH1 ARG 27 9.731 10.932 14.302 228 1HH2 ARG 27 1HH2 ARG 27 9.353 13.959 12.596 229 2HH2 ARG 27 2HH2 ARG 27 9.112 13.126 14.095 230 H TRP 28 H TRP 28 10.109 8.406 6.652 231 HA TRP 28 HA TRP 28 7.956 7.995 4.763 232 1HB TRP 28 2HB TRP 28 9.985 6.101 5.964 233 2HB TRP 28 1HB TRP 28 8.790 5.631 4.761 234 HD1 TRP 28 HD TRP 28 11.644 8.261 5.052 235 HE1 TRP 28 1HE TRP 28 12.775 8.445 2.747 236 HE3 TRP 28 3HE TRP 28 8.685 5.016 2.436 237 HZ2 TRP 28 2HZ TRP 28 12.454 7.355 0.161 238 HZ3 TRP 28 3HZ TRP 28 9.164 4.642 0.052 239 HH2 TRP 28 HH TRP 28 11.010 5.789 -1.061 240 H LYS 29 H LYS 29 6.905 5.605 5.242 241 HA LYS 29 HA LYS 29 6.018 5.421 8.002 242 1HB LYS 29 2HB LYS 29 4.504 7.011 6.493 243 2HB LYS 29 1HB LYS 29 3.836 5.469 5.970 244 1HG LYS 29 2HG LYS 29 2.760 5.134 7.904 245 2HG LYS 29 1HG LYS 29 4.098 5.754 8.874 246 1HD LYS 29 2HD LYS 29 3.420 8.002 8.532 247 2HD LYS 29 1HD LYS 29 2.278 7.536 7.268 248 1HE LYS 29 2HE LYS 29 1.936 6.367 9.982 249 2HE LYS 29 1HE LYS 29 1.488 8.054 9.740 250 1HZ LYS 29 1HZ LYS 29 0.122 7.251 7.813 251 2HZ LYS 29 2HZ LYS 29 -0.432 6.775 9.339 252 3HZ LYS 29 3HZ LYS 29 0.394 5.672 8.359 253 H GLU 30 H GLU 30 5.252 3.364 8.530 254 HA GLU 30 HA GLU 30 5.492 1.379 6.366 255 1HB GLU 30 2HB GLU 30 6.102 0.862 9.272 256 2HB GLU 30 1HB GLU 30 6.459 -0.172 7.897 257 1HG GLU 30 2HG GLU 30 8.416 0.808 7.579 258 2HG GLU 30 1HG GLU 30 7.677 2.409 7.562 259 H ALA 31 H ALA 31 3.846 0.077 6.018 260 HA ALA 31 HA ALA 31 1.843 -0.338 8.122 261 1HB ALA 31 1HB ALA 31 1.078 0.185 5.256 262 2HB ALA 31 2HB ALA 31 1.116 1.446 6.489 263 3HB ALA 31 3HB ALA 31 0.019 0.077 6.664 264 H THR 32 H THR 32 1.908 -2.450 8.508 265 HA THR 32 HA THR 32 2.657 -4.312 6.415 266 HB THR 32 HB THR 32 1.907 -5.093 9.220 267 HG1 THR 32 1HG THR 32 3.595 -4.012 9.882 268 1HG2 THR 32 1HG2 THR 32 2.194 -6.957 7.754 269 2HG2 THR 32 2HG2 THR 32 3.650 -6.851 8.742 270 3HG2 THR 32 3HG2 THR 32 3.672 -6.274 7.076 271 H ILE 33 H ILE 33 1.404 -5.863 5.535 272 HA ILE 33 HA ILE 33 -1.410 -6.011 6.368 273 HB ILE 33 HB ILE 33 -0.568 -6.147 3.478 274 1HG1 ILE 33 2HG1 ILE 33 -1.961 -3.732 4.512 275 2HG1 ILE 33 1HG1 ILE 33 -0.245 -3.878 4.874 276 1HG2 ILE 33 1HG2 ILE 33 -3.026 -6.529 4.940 277 2HG2 ILE 33 2HG2 ILE 33 -2.659 -6.868 3.249 278 3HG2 ILE 33 3HG2 ILE 33 -3.195 -5.257 3.730 279 1HD1 ILE 33 1HD1 ILE 33 -1.332 -4.140 2.092 280 2HD1 ILE 33 2HD1 ILE 33 0.336 -3.870 2.597 281 3HD1 ILE 33 3HD1 ILE 33 -0.864 -2.592 2.795 282 HA PRO 34 HA PRO 34 -0.115 -10.316 6.396 283 1HB PRO 34 2HB PRO 34 -2.723 -10.906 7.529 284 2HB PRO 34 1HB PRO 34 -1.136 -10.994 8.295 285 1HG PRO 34 2HG PRO 34 -3.022 -9.150 8.974 286 2HG PRO 34 1HG PRO 34 -1.279 -8.872 9.139 287 1HD PRO 34 2HD PRO 34 -3.154 -7.938 6.998 288 2HD PRO 34 1HD PRO 34 -1.823 -7.067 7.791 289 H GLY 35 H GLY 35 -0.247 -10.472 4.081 290 1HA GLY 35 2HA GLY 35 -1.012 -11.580 2.214 291 2HA GLY 35 1HA GLY 35 -2.288 -12.265 3.210 292 H HIS 36 H HIS 36 -4.272 -11.178 3.396 293 HA HIS 36 HA HIS 36 -4.789 -8.666 2.183 294 1HB HIS 36 2HB HIS 36 -4.459 -10.241 0.185 295 2HB HIS 36 1HB HIS 36 -5.977 -10.985 0.671 296 HD2 HIS 36 2HD HIS 36 -7.464 -8.040 1.357 297 HE1 HIS 36 1HE HIS 36 -6.852 -7.495 -2.794 298 HE2 HIS 36 2HE HIS 36 -8.258 -6.827 -0.793 299 H LEU 37 H LEU 37 -5.884 -8.247 4.085 300 HA LEU 37 HA LEU 37 -8.038 -9.979 4.948 301 1HB LEU 37 2HB LEU 37 -8.019 -7.389 6.228 302 2HB LEU 37 1HB LEU 37 -7.797 -8.980 6.928 303 HG LEU 37 HG LEU 37 -5.362 -8.716 5.929 304 1HD1 LEU 37 1HD1 LEU 37 -5.609 -5.893 6.685 305 2HD1 LEU 37 2HD1 LEU 37 -6.356 -6.312 5.144 306 3HD1 LEU 37 3HD1 LEU 37 -4.647 -6.651 5.416 307 1HD2 LEU 37 1HD2 LEU 37 -5.229 -9.007 8.147 308 2HD2 LEU 37 2HD2 LEU 37 -6.615 -7.964 8.468 309 3HD2 LEU 37 3HD2 LEU 37 -5.023 -7.256 8.194 310 H ASN 38 H ASN 38 -7.622 -6.936 3.278 311 HA ASN 38 HA ASN 38 -10.055 -7.010 1.937 312 1HB ASN 38 2HB ASN 38 -11.442 -5.429 3.069 313 2HB ASN 38 1HB ASN 38 -10.947 -6.617 4.270 314 1HD2 ASN 38 1HD2 ASN 38 -8.489 -5.825 4.991 315 2HD2 ASN 38 2HD2 ASN 38 -8.533 -4.250 5.696 316 H SER 39 H SER 39 -10.605 -4.189 1.871 317 HA SER 39 HA SER 39 -8.371 -3.359 0.220 318 1HB SER 39 2HB SER 39 -10.710 -3.059 -0.557 319 2HB SER 39 1HB SER 39 -10.987 -1.938 0.776 320 HG SER 39 HG SER 39 -10.189 -0.460 -0.467 321 H TYR 40 H TYR 40 -6.678 -2.532 1.280 322 HA TYR 40 HA TYR 40 -7.031 -0.980 3.698 323 1HB TYR 40 2HB TYR 40 -5.109 -2.672 3.070 324 2HB TYR 40 1HB TYR 40 -4.390 -1.252 2.319 325 HD1 TYR 40 1HD TYR 40 -4.645 0.928 4.002 326 HD2 TYR 40 2HD TYR 40 -4.286 -3.151 5.160 327 HE1 TYR 40 1HE TYR 40 -3.759 1.632 6.184 328 HE2 TYR 40 2HE TYR 40 -3.400 -2.456 7.347 329 HH TYR 40 HH TYR 40 -2.191 0.469 7.998 330 H THR 41 H THR 41 -7.378 1.127 3.704 331 HA THR 41 HA THR 41 -6.322 2.749 1.478 332 HB THR 41 HB THR 41 -8.820 3.447 3.012 333 HG1 THR 41 1HG THR 41 -9.947 2.169 1.740 334 1HG2 THR 41 1HG2 THR 41 -8.953 5.232 1.662 335 2HG2 THR 41 2HG2 THR 41 -8.537 4.289 0.231 336 3HG2 THR 41 3HG2 THR 41 -7.262 4.911 1.280 337 H ILE 42 H ILE 42 -4.929 4.278 2.075 338 HA ILE 42 HA ILE 42 -4.609 4.892 4.903 339 HB ILE 42 HB ILE 42 -2.950 5.631 2.490 340 1HG1 ILE 42 2HG1 ILE 42 -1.599 4.153 4.561 341 2HG1 ILE 42 1HG1 ILE 42 -3.069 3.307 4.087 342 1HG2 ILE 42 1HG2 ILE 42 -2.675 6.428 5.369 343 2HG2 ILE 42 2HG2 ILE 42 -2.618 7.443 3.927 344 3HG2 ILE 42 3HG2 ILE 42 -1.280 6.355 4.294 345 1HD1 ILE 42 1HD1 ILE 42 -0.661 3.103 2.844 346 2HD1 ILE 42 2HD1 ILE 42 -1.492 4.289 1.838 347 3HD1 ILE 42 3HD1 ILE 42 -2.217 2.706 2.116 348 H LYS 43 H LYS 43 -5.481 6.623 5.820 349 HA LYS 43 HA LYS 43 -6.200 8.910 4.104 350 1HB LYS 43 2HB LYS 43 -7.659 8.492 6.657 351 2HB LYS 43 1HB LYS 43 -8.231 9.147 5.130 352 1HG LYS 43 2HG LYS 43 -8.930 7.152 4.391 353 2HG LYS 43 1HG LYS 43 -7.529 6.304 5.048 354 1HD LYS 43 2HD LYS 43 -8.556 6.554 7.320 355 2HD LYS 43 1HD LYS 43 -10.004 7.178 6.528 356 1HE LYS 43 2HE LYS 43 -10.684 5.132 5.957 357 2HE LYS 43 1HE LYS 43 -9.092 4.699 5.336 358 1HZ LYS 43 1HZ LYS 43 -10.253 3.673 7.560 359 2HZ LYS 43 2HZ LYS 43 -9.190 4.821 8.200 360 3HZ LYS 43 3HZ LYS 43 -8.603 3.596 7.192 361 H GLY 44 H GLY 44 -4.663 10.393 4.465 362 1HA GLY 44 2HA GLY 44 -4.519 11.750 6.938 363 2HA GLY 44 1HA GLY 44 -3.131 10.683 6.783 364 H LEU 45 H LEU 45 -4.194 11.690 3.771 365 HA LEU 45 HA LEU 45 -1.957 13.560 3.568 366 1HB LEU 45 2HB LEU 45 -3.671 12.563 1.304 367 2HB LEU 45 1HB LEU 45 -2.068 13.253 1.214 368 HG LEU 45 HG LEU 45 -1.591 11.037 0.869 369 1HD1 LEU 45 1HD1 LEU 45 -0.610 10.076 2.846 370 2HD1 LEU 45 2HD1 LEU 45 -1.586 11.117 3.881 371 3HD1 LEU 45 3HD1 LEU 45 -0.339 11.819 2.850 372 1HD2 LEU 45 1HD2 LEU 45 -3.043 9.577 2.823 373 2HD2 LEU 45 2HD2 LEU 45 -3.172 9.507 1.067 374 3HD2 LEU 45 3HD2 LEU 45 -4.159 10.650 1.977 375 H LYS 46 H LYS 46 -3.341 14.688 1.093 376 HA LYS 46 HA LYS 46 -5.628 16.105 2.037 377 1HB LYS 46 2HB LYS 46 -4.217 17.459 3.316 378 2HB LYS 46 1HB LYS 46 -2.936 17.429 2.114 379 1HG LYS 46 2HG LYS 46 -4.578 18.749 0.637 380 2HG LYS 46 1HG LYS 46 -5.450 19.045 2.143 381 1HD LYS 46 2HD LYS 46 -3.591 20.142 3.113 382 2HD LYS 46 1HD LYS 46 -2.521 19.633 1.803 383 1HE LYS 46 2HE LYS 46 -4.874 21.502 1.524 384 2HE LYS 46 1HE LYS 46 -3.184 21.995 1.607 385 1HZ LYS 46 1HZ LYS 46 -4.578 20.549 -0.553 386 2HZ LYS 46 2HZ LYS 46 -2.897 20.450 -0.397 387 3HZ LYS 46 3HZ LYS 46 -3.633 21.951 -0.649 388 HA PRO 47 HA PRO 47 -6.311 16.292 -2.328 389 1HB PRO 47 2HB PRO 47 -7.698 18.854 -1.734 390 2HB PRO 47 1HB PRO 47 -8.292 17.426 -2.587 391 1HG PRO 47 2HG PRO 47 -9.098 17.959 -0.106 392 2HG PRO 47 1HG PRO 47 -8.776 16.292 -0.621 393 1HD PRO 47 2HD PRO 47 -7.109 18.114 1.064 394 2HD PRO 47 1HD PRO 47 -7.371 16.364 1.213 395 H GLY 48 H GLY 48 -4.207 16.716 -3.041 396 1HA GLY 48 2HA GLY 48 -3.446 18.553 -4.663 397 2HA GLY 48 1HA GLY 48 -3.425 19.552 -3.216 398 H VAL 49 H VAL 49 -2.515 17.251 -1.580 399 HA VAL 49 HA VAL 49 0.329 17.510 -2.173 400 HB VAL 49 HB VAL 49 -0.694 16.010 0.199 401 1HG1 VAL 49 1HG1 VAL 49 1.481 18.016 0.314 402 2HG1 VAL 49 2HG1 VAL 49 1.784 16.538 -0.600 403 3HG1 VAL 49 3HG1 VAL 49 1.341 16.445 1.105 404 1HG2 VAL 49 1HG2 VAL 49 -2.101 17.869 0.389 405 2HG2 VAL 49 2HG2 VAL 49 -0.862 18.980 -0.193 406 3HG2 VAL 49 3HG2 VAL 49 -0.717 18.257 1.409 407 H VAL 50 H VAL 50 1.438 15.946 -3.159 408 HA VAL 50 HA VAL 50 0.182 13.312 -3.428 409 HB VAL 50 HB VAL 50 2.478 14.507 -4.983 410 1HG1 VAL 50 1HG1 VAL 50 1.475 11.805 -4.759 411 2HG1 VAL 50 2HG1 VAL 50 2.916 12.408 -5.577 412 3HG1 VAL 50 3HG1 VAL 50 1.365 12.402 -6.415 413 1HG2 VAL 50 1HG2 VAL 50 0.528 14.207 -6.788 414 2HG2 VAL 50 2HG2 VAL 50 0.747 15.686 -5.852 415 3HG2 VAL 50 3HG2 VAL 50 -0.457 14.497 -5.354 416 H TYR 51 H TYR 51 0.897 11.655 -2.295 417 HA TYR 51 HA TYR 51 3.550 11.839 -1.040 418 1HB TYR 51 2HB TYR 51 1.100 10.237 -0.287 419 2HB TYR 51 1HB TYR 51 2.667 10.040 0.488 420 HD1 TYR 51 1HD TYR 51 3.081 11.231 2.424 421 HD2 TYR 51 2HD TYR 51 0.205 12.730 -0.328 422 HE1 TYR 51 1HE TYR 51 2.527 13.040 3.997 423 HE2 TYR 51 2HE TYR 51 -0.360 14.540 1.236 424 HH TYR 51 HH TYR 51 0.515 14.539 4.445 425 H GLU 52 H GLU 52 5.102 10.678 -1.952 426 HA GLU 52 HA GLU 52 4.450 8.571 -3.825 427 1HB GLU 52 2HB GLU 52 6.561 8.821 -4.636 428 2HB GLU 52 1HB GLU 52 6.440 10.367 -3.811 429 1HG GLU 52 2HG GLU 52 7.800 9.681 -2.057 430 2HG GLU 52 1HG GLU 52 7.560 7.972 -2.413 431 H GLY 53 H GLY 53 5.090 6.367 -3.627 432 1HA GLY 53 2HA GLY 53 6.300 5.422 -1.203 433 2HA GLY 53 1HA GLY 53 4.568 5.145 -1.232 434 H GLN 54 H GLN 54 6.448 3.106 -1.057 435 HA GLN 54 HA GLN 54 5.927 1.678 -3.566 436 1HB GLN 54 2HB GLN 54 8.265 0.540 -2.618 437 2HB GLN 54 1HB GLN 54 8.134 1.648 -3.977 438 1HG GLN 54 2HG GLN 54 8.327 3.486 -2.156 439 2HG GLN 54 1HG GLN 54 8.999 2.183 -1.175 440 1HE2 GLN 54 1HE2 GLN 54 10.142 4.673 -2.420 441 2HE2 GLN 54 2HE2 GLN 54 11.543 4.124 -3.270 442 H LEU 55 H LEU 55 5.661 -0.597 -3.325 443 HA LEU 55 HA LEU 55 4.990 -1.382 -0.568 444 1HB LEU 55 2HB LEU 55 3.059 -1.304 -2.036 445 2HB LEU 55 1HB LEU 55 3.862 -2.349 -3.193 446 HG LEU 55 HG LEU 55 3.881 -4.136 -1.409 447 1HD1 LEU 55 1HD1 LEU 55 3.374 -3.505 0.660 448 2HD1 LEU 55 2HD1 LEU 55 1.700 -3.361 0.122 449 3HD1 LEU 55 3HD1 LEU 55 2.756 -1.949 0.106 450 1HD2 LEU 55 1HD2 LEU 55 2.026 -4.948 -2.349 451 2HD2 LEU 55 2HD2 LEU 55 1.969 -3.433 -3.250 452 3HD2 LEU 55 3HD2 LEU 55 1.038 -3.611 -1.763 453 H ILE 56 H ILE 56 6.601 -2.542 0.259 454 HA ILE 56 HA ILE 56 8.143 -4.345 -1.436 455 HB ILE 56 HB ILE 56 8.530 -3.647 1.477 456 1HG1 ILE 56 2HG1 ILE 56 10.619 -2.502 0.326 457 2HG1 ILE 56 1HG1 ILE 56 9.551 -2.468 -1.074 458 1HG2 ILE 56 1HG2 ILE 56 9.872 -5.424 1.502 459 2HG2 ILE 56 2HG2 ILE 56 10.933 -4.529 0.415 460 3HG2 ILE 56 3HG2 ILE 56 9.735 -5.643 -0.244 461 1HD1 ILE 56 1HD1 ILE 56 8.331 -0.802 -0.238 462 2HD1 ILE 56 2HD1 ILE 56 9.693 -0.553 0.854 463 3HD1 ILE 56 3HD1 ILE 56 8.304 -1.504 1.379 464 H SER 57 H SER 57 8.129 -6.539 -1.276 465 HA SER 57 HA SER 57 6.246 -7.706 0.662 466 1HB SER 57 2HB SER 57 5.162 -8.753 -0.990 467 2HB SER 57 1HB SER 57 6.116 -7.815 -2.139 468 HG SER 57 HG SER 57 6.475 -9.927 -2.634 469 H ILE 58 H ILE 58 7.096 -9.044 2.054 470 HA ILE 58 HA ILE 58 9.690 -10.291 1.432 471 HB ILE 58 HB ILE 58 8.621 -9.844 4.213 472 1HG1 ILE 58 2HG1 ILE 58 10.739 -8.086 3.052 473 2HG1 ILE 58 1HG1 ILE 58 9.059 -7.742 2.651 474 1HG2 ILE 58 1HG2 ILE 58 10.315 -11.458 4.254 475 2HG2 ILE 58 2HG2 ILE 58 11.134 -9.956 4.679 476 3HG2 ILE 58 3HG2 ILE 58 11.280 -10.608 3.048 477 1HD1 ILE 58 1HD1 ILE 58 10.087 -6.525 4.637 478 2HD1 ILE 58 2HD1 ILE 58 9.961 -8.065 5.489 479 3HD1 ILE 58 3HD1 ILE 58 8.509 -7.277 4.869 480 H GLN 59 H GLN 59 9.580 -12.387 1.048 481 HA GLN 59 HA GLN 59 7.267 -13.923 1.886 482 1HB GLN 59 2HB GLN 59 9.640 -15.040 0.419 483 2HB GLN 59 1HB GLN 59 7.965 -15.570 0.365 484 1HG GLN 59 2HG GLN 59 8.352 -12.825 -0.546 485 2HG GLN 59 1HG GLN 59 9.211 -14.026 -1.509 486 1HE2 GLN 59 1HE2 GLN 59 6.196 -14.570 0.193 487 2HE2 GLN 59 2HE2 GLN 59 5.221 -14.794 -1.216 488 H GLN 60 H GLN 60 7.756 -16.244 2.643 489 HA GLN 60 HA GLN 60 9.066 -16.071 5.155 490 1HB GLN 60 2HB GLN 60 8.672 -18.639 5.091 491 2HB GLN 60 1HB GLN 60 7.286 -17.561 5.165 492 1HG GLN 60 2HG GLN 60 6.660 -17.992 2.999 493 2HG GLN 60 1HG GLN 60 8.287 -18.460 2.509 494 1HE2 GLN 60 1HE2 GLN 60 8.362 -20.508 1.973 495 2HE2 GLN 60 2HE2 GLN 60 7.537 -21.805 2.762 496 H TYR 61 H TYR 61 10.106 -16.989 1.998 497 HA TYR 61 HA TYR 61 12.547 -18.207 3.079 498 1HB TYR 61 2HB TYR 61 10.943 -18.650 0.696 499 2HB TYR 61 1HB TYR 61 12.643 -18.423 0.304 500 HD1 TYR 61 1HD TYR 61 10.557 -20.282 2.797 501 HD2 TYR 61 2HD TYR 61 13.965 -20.311 0.248 502 HE1 TYR 61 1HE TYR 61 11.010 -22.612 3.438 503 HE2 TYR 61 2HE TYR 61 14.426 -22.642 0.881 504 HH TYR 61 HH TYR 61 12.208 -24.465 2.925 505 H GLY 62 H GLY 62 11.547 -15.226 2.375 506 1HA GLY 62 2HA GLY 62 13.280 -13.488 2.508 507 2HA GLY 62 1HA GLY 62 14.198 -14.425 1.342 508 H HIS 63 H HIS 63 14.335 -13.166 -0.407 509 HA HIS 63 HA HIS 63 13.732 -12.039 -2.289 510 1HB HIS 63 2HB HIS 63 11.378 -13.686 -1.681 511 2HB HIS 63 1HB HIS 63 11.025 -12.256 -2.645 512 HD2 HIS 63 2HD HIS 63 12.735 -12.108 -5.037 513 HE1 HIS 63 1HE HIS 63 12.987 -16.330 -5.185 514 HE2 HIS 63 2HE HIS 63 13.506 -14.171 -6.409 515 H GLN 64 H GLN 64 12.289 -10.227 -3.105 516 HA GLN 64 HA GLN 64 10.888 -8.688 -1.122 517 1HB GLN 64 2HB GLN 64 13.682 -8.060 -1.859 518 2HB GLN 64 1HB GLN 64 12.569 -6.699 -1.852 519 1HG GLN 64 2HG GLN 64 12.566 -6.604 0.361 520 2HG GLN 64 1HG GLN 64 12.235 -8.332 0.502 521 1HE2 GLN 64 1HE2 GLN 64 14.372 -5.986 1.284 522 2HE2 GLN 64 2HE2 GLN 64 15.800 -6.937 1.483 523 H GLU 65 H GLU 65 9.148 -8.209 -2.273 524 HA GLU 65 HA GLU 65 9.422 -7.426 -5.091 525 1HB GLU 65 2HB GLU 65 7.713 -9.187 -3.962 526 2HB GLU 65 1HB GLU 65 6.746 -7.725 -3.842 527 1HG GLU 65 2HG GLU 65 7.979 -8.128 -6.463 528 2HG GLU 65 1HG GLU 65 6.833 -9.384 -5.997 529 H VAL 66 H VAL 66 9.533 -5.305 -5.493 530 HA VAL 66 HA VAL 66 8.018 -3.498 -3.724 531 HB VAL 66 HB VAL 66 10.612 -2.818 -5.095 532 1HG1 VAL 66 1HG1 VAL 66 8.933 -1.408 -3.026 533 2HG1 VAL 66 2HG1 VAL 66 9.284 -0.871 -4.669 534 3HG1 VAL 66 3HG1 VAL 66 10.571 -0.924 -3.464 535 1HG2 VAL 66 1HG2 VAL 66 11.023 -2.844 -2.344 536 2HG2 VAL 66 2HG2 VAL 66 11.634 -4.012 -3.517 537 3HG2 VAL 66 3HG2 VAL 66 10.114 -4.318 -2.676 538 H THR 67 H THR 67 6.807 -1.938 -4.603 539 HA THR 67 HA THR 67 6.970 -1.415 -7.483 540 HB THR 67 HB THR 67 4.432 -2.123 -5.997 541 HG1 THR 67 1HG THR 67 4.465 -3.618 -7.982 542 1HG2 THR 67 1HG2 THR 67 4.210 -0.188 -7.604 543 2HG2 THR 67 2HG2 THR 67 3.194 -1.586 -7.959 544 3HG2 THR 67 3HG2 THR 67 4.666 -1.305 -8.890 545 H ARG 68 H ARG 68 7.004 0.716 -7.866 546 HA ARG 68 HA ARG 68 6.510 2.565 -5.692 547 1HB ARG 68 2HB ARG 68 7.323 3.168 -8.539 548 2HB ARG 68 1HB ARG 68 7.440 4.250 -7.158 549 1HG ARG 68 2HG ARG 68 8.840 1.918 -6.457 550 2HG ARG 68 1HG ARG 68 9.320 2.320 -8.108 551 1HD ARG 68 2HD ARG 68 9.218 4.446 -6.006 552 2HD ARG 68 1HD ARG 68 10.605 3.361 -6.102 553 HE ARG 68 HE ARG 68 11.158 4.286 -8.190 554 1HH1 ARG 68 1HH1 ARG 68 8.332 5.764 -6.786 555 2HH1 ARG 68 2HH1 ARG 68 8.386 7.151 -7.820 556 1HH2 ARG 68 1HH2 ARG 68 11.238 6.112 -9.554 557 2HH2 ARG 68 2HH2 ARG 68 10.036 7.350 -9.393 558 H PHE 69 H PHE 69 4.964 4.178 -5.635 559 HA PHE 69 HA PHE 69 3.066 4.502 -7.785 560 1HB PHE 69 2HB PHE 69 1.139 4.059 -6.103 561 2HB PHE 69 1HB PHE 69 1.913 2.687 -6.887 562 HD1 PHE 69 1HD PHE 69 2.035 4.718 -3.763 563 HD2 PHE 69 2HD PHE 69 2.749 0.952 -5.613 564 HE1 PHE 69 1HE PHE 69 2.534 3.734 -1.555 565 HE2 PHE 69 2HE PHE 69 3.244 -0.037 -3.419 566 HZ PHE 69 HZ PHE 69 3.136 1.351 -1.387 567 H ASP 70 H ASP 70 1.575 6.251 -7.432 568 HA ASP 70 HA ASP 70 2.373 8.087 -5.268 569 1HB ASP 70 2HB ASP 70 1.579 9.866 -7.068 570 2HB ASP 70 1HB ASP 70 3.229 9.250 -7.069 571 H PHE 71 H PHE 71 0.712 8.435 -3.914 572 HA PHE 71 HA PHE 71 -1.987 8.633 -5.031 573 1HB PHE 71 2HB PHE 71 -2.923 7.103 -3.428 574 2HB PHE 71 1HB PHE 71 -1.613 6.287 -4.277 575 HD1 PHE 71 1HD PHE 71 -2.964 7.134 -1.114 576 HD2 PHE 71 2HD PHE 71 0.692 6.279 -3.117 577 HE1 PHE 71 1HE PHE 71 -1.908 6.607 1.046 578 HE2 PHE 71 2HE PHE 71 1.757 5.748 -0.961 579 HZ PHE 71 HZ PHE 71 0.454 5.912 1.125 580 H THR 72 H THR 72 -3.506 9.688 -3.746 581 HA THR 72 HA THR 72 -2.656 10.972 -1.281 582 HB THR 72 HB THR 72 -2.569 13.105 -1.979 583 HG1 THR 72 1HG THR 72 -4.626 13.590 -2.363 584 1HG2 THR 72 1HG2 THR 72 -1.407 11.671 -3.871 585 2HG2 THR 72 2HG2 THR 72 -1.578 13.419 -4.021 586 3HG2 THR 72 3HG2 THR 72 -2.704 12.347 -4.856 587 H THR 73 H THR 73 -4.558 12.222 -0.317 588 HA THR 73 HA THR 73 -6.673 10.668 0.270 589 HB THR 73 HB THR 73 -8.022 12.714 0.713 590 HG1 THR 73 1HG THR 73 -7.479 14.559 -0.184 591 1HG2 THR 73 1HG2 THR 73 -6.493 13.684 2.366 592 2HG2 THR 73 2HG2 THR 73 -5.135 12.869 1.588 593 3HG2 THR 73 3HG2 THR 73 -6.404 11.923 2.366 594 H THR 74 H THR 74 -6.924 13.214 -2.221 595 HA THR 74 HA THR 74 -8.759 11.470 -3.716 596 HB THR 74 HB THR 74 -10.485 12.815 -3.255 597 HG1 THR 74 1HG THR 74 -10.351 13.838 -5.147 598 1HG2 THR 74 1HG2 THR 74 -10.194 15.040 -2.117 599 2HG2 THR 74 2HG2 THR 74 -8.455 14.752 -2.152 600 3HG2 THR 74 3HG2 THR 74 -9.511 13.664 -1.252 601 H SER 75 H SER 75 -6.263 13.840 -3.646 602 HA SER 75 HA SER 75 -6.301 14.373 -6.481 603 1HB SER 75 2HB SER 75 -5.174 15.615 -4.217 604 2HB SER 75 1HB SER 75 -3.807 15.074 -5.194 605 HG SER 75 HG SER 75 -5.531 16.110 -6.873 606 H THR 76 H THR 76 -4.048 14.132 -7.613 607 HA THR 76 HA THR 76 -2.423 11.910 -6.898 608 HB THR 76 HB THR 76 -3.317 10.911 -9.341 609 HG1 THR 76 1HG THR 76 -5.248 12.326 -8.707 610 1HG2 THR 76 1HG2 THR 76 -4.541 9.557 -7.100 611 2HG2 THR 76 2HG2 THR 76 -2.877 10.014 -6.733 612 3HG2 THR 76 3HG2 THR 76 -3.229 9.024 -8.149 613 H SER 77 H SER 77 -0.514 11.997 -7.963 614 HA SER 77 HA SER 77 0.025 14.224 -9.643 615 1HB SER 77 2HB SER 77 1.834 13.529 -8.302 616 2HB SER 77 1HB SER 77 1.644 11.838 -8.768 617 HG SER 77 HG SER 77 3.391 13.244 -9.776 618 H THR 78 H THR 78 0.888 10.882 -10.462 619 HA THR 78 HA THR 78 0.864 9.750 -12.439 620 HB THR 78 HB THR 78 -1.637 11.203 -13.227 621 HG1 THR 78 1HG THR 78 -2.496 9.304 -11.760 622 1HG2 THR 78 1HG2 THR 78 -2.291 8.846 -13.834 623 2HG2 THR 78 2HG2 THR 78 -0.639 8.367 -13.441 624 3HG2 THR 78 3HG2 THR 78 -0.940 9.510 -14.751 625 HA PRO 79 HA PRO 79 2.774 13.317 -14.710 626 1HB PRO 79 2HB PRO 79 4.717 11.672 -15.804 627 2HB PRO 79 1HB PRO 79 4.897 12.602 -14.314 628 1HG PRO 79 2HG PRO 79 4.208 9.719 -14.680 629 2HG PRO 79 1HG PRO 79 5.246 10.481 -13.460 630 1HD PRO 79 2HD PRO 79 2.754 9.680 -12.879 631 2HD PRO 79 1HD PRO 79 3.444 11.154 -12.168 632 H GLY 80 H GLY 80 1.848 10.078 -15.733 633 1HA GLY 80 2HA GLY 80 0.193 10.454 -17.723 634 2HA GLY 80 1HA GLY 80 1.670 10.972 -18.522 635 H SER 81 H SER 81 0.023 8.250 -17.028 636 HA SER 81 HA SER 81 1.153 6.426 -18.917 637 1HB SER 81 2HB SER 81 2.942 6.755 -17.068 638 2HB SER 81 1HB SER 81 1.852 5.808 -16.055 639 HG SER 81 HG SER 81 3.296 4.421 -17.047 640 H ARG 82 H ARG 82 0.010 6.113 -15.557 641 HA ARG 82 HA ARG 82 -2.251 4.523 -16.578 642 1HB ARG 82 2HB ARG 82 -2.122 3.659 -14.058 643 2HB ARG 82 1HB ARG 82 -1.186 2.922 -15.350 644 1HG ARG 82 2HG ARG 82 0.721 4.399 -14.710 645 2HG ARG 82 1HG ARG 82 -0.228 4.919 -13.315 646 1HD ARG 82 2HD ARG 82 -0.176 2.796 -12.341 647 2HD ARG 82 1HD ARG 82 0.280 2.014 -13.854 648 HE ARG 82 HE ARG 82 2.309 3.802 -13.102 649 1HH1 ARG 82 1HH1 ARG 82 0.900 0.775 -12.106 650 2HH1 ARG 82 2HH1 ARG 82 2.360 0.184 -11.388 651 1HH2 ARG 82 1HH2 ARG 82 4.236 3.032 -12.157 652 2HH2 ARG 82 2HH2 ARG 82 4.256 1.466 -11.416 653 H SER 83 H SER 83 -3.527 6.431 -16.760 654 HA SER 83 HA SER 83 -4.340 7.589 -14.177 655 1HB SER 83 2HB SER 83 -3.325 9.132 -15.938 656 2HB SER 83 1HB SER 83 -4.791 8.856 -16.880 657 HG SER 83 HG SER 83 -5.894 9.541 -14.839 658 H HIS 84 H HIS 84 -5.979 7.697 -17.310 659 HA HIS 84 HA HIS 84 -8.216 6.195 -16.119 660 1HB HIS 84 2HB HIS 84 -9.559 7.743 -17.829 661 2HB HIS 84 1HB HIS 84 -9.223 8.248 -16.176 662 HD2 HIS 84 2HD HIS 84 -7.842 10.553 -15.940 663 HE1 HIS 84 1HE HIS 84 -6.718 10.888 -20.006 664 HE2 HIS 84 2HE HIS 84 -6.563 11.952 -17.710 665 H HIS 85 H HIS 85 -7.891 4.262 -17.105 666 HA HIS 85 HA HIS 85 -8.678 4.004 -19.827 667 1HB HIS 85 2HB HIS 85 -6.180 4.698 -19.885 668 2HB HIS 85 1HB HIS 85 -5.869 3.059 -19.321 669 HD2 HIS 85 2HD HIS 85 -4.738 2.186 -21.661 670 HE1 HIS 85 1HE HIS 85 -8.169 2.834 -24.052 671 HE2 HIS 85 2HE HIS 85 -5.921 1.672 -23.912 672 H HIS 86 H HIS 86 -6.390 2.060 -17.927 673 HA HIS 86 HA HIS 86 -8.385 0.226 -17.024 674 1HB HIS 86 2HB HIS 86 -7.656 -0.205 -19.621 675 2HB HIS 86 1HB HIS 86 -6.511 -1.232 -18.763 676 HD2 HIS 86 2HD HIS 86 -10.279 -1.039 -19.605 677 HE1 HIS 86 1HE HIS 86 -9.548 -4.611 -17.458 678 HE2 HIS 86 2HE HIS 86 -11.305 -3.216 -18.639 679 H HIS 87 H HIS 87 -7.637 -1.068 -15.396 680 HA HIS 87 HA HIS 87 -5.030 -0.433 -14.347 681 1HB HIS 87 2HB HIS 87 -7.414 -1.076 -13.184 682 2HB HIS 87 1HB HIS 87 -6.551 -2.604 -13.062 683 HD2 HIS 87 2HD HIS 87 -7.208 -0.726 -10.421 684 HE1 HIS 87 1HE HIS 87 -3.019 -0.125 -10.489 685 HE2 HIS 87 2HE HIS 87 -5.100 -0.108 -9.040 686 H HIS 88 H HIS 88 -3.714 -1.329 -16.024 687 HA HIS 88 HA HIS 88 -3.203 -4.175 -15.612 688 1HB HIS 88 2HB HIS 88 -4.342 -3.044 -18.023 689 2HB HIS 88 1HB HIS 88 -2.791 -3.806 -18.359 690 HD2 HIS 88 2HD HIS 88 -6.400 -4.749 -17.280 691 HE1 HIS 88 1HE HIS 88 -4.194 -8.291 -17.982 692 HE2 HIS 88 2HE HIS 88 -6.512 -7.308 -17.682 693 H HIS 89 H HIS 89 -1.196 -4.642 -17.306 694 HA HIS 89 HA HIS 89 0.971 -3.195 -16.163 695 1HB HIS 89 2HB HIS 89 2.287 -4.525 -17.968 696 2HB HIS 89 1HB HIS 89 1.508 -5.406 -16.659 697 HD2 HIS 89 2HD HIS 89 0.706 -4.539 -20.424 698 HE1 HIS 89 1HE HIS 89 -1.113 -8.203 -19.339 699 HE2 HIS 89 2HE HIS 89 -0.837 -6.483 -21.180 Start of MODEL 10 1 1H MET 1 1HT MET 1 -16.493 -2.992 6.304 2 2H MET 1 2HT MET 1 -17.542 -1.918 5.525 3 3H MET 1 3HT MET 1 -18.041 -3.501 5.850 4 HA MET 1 HA MET 1 -18.616 -1.375 7.377 5 1HB MET 1 2HB MET 1 -18.437 -4.329 7.876 6 2HB MET 1 1HB MET 1 -18.979 -3.254 9.158 7 1HG MET 1 2HG MET 1 -20.514 -2.421 7.081 8 2HG MET 1 1HG MET 1 -20.350 -4.139 6.729 9 1HE MET 1 1HE MET 1 -22.104 -1.570 7.992 10 2HE MET 1 2HE MET 1 -22.578 -1.822 9.672 11 3HE MET 1 3HE MET 1 -23.551 -2.505 8.369 12 H ARG 2 H ARG 2 -18.045 -2.397 10.062 13 HA ARG 2 HA ARG 2 -15.756 -0.824 10.630 14 1HB ARG 2 2HB ARG 2 -17.884 -1.823 12.086 15 2HB ARG 2 1HB ARG 2 -16.508 -2.709 12.729 16 1HG ARG 2 2HG ARG 2 -16.463 -0.902 14.100 17 2HG ARG 2 1HG ARG 2 -15.438 -0.295 12.798 18 1HD ARG 2 2HD ARG 2 -16.987 1.203 12.094 19 2HD ARG 2 1HD ARG 2 -18.343 0.153 12.501 20 HE ARG 2 HE ARG 2 -18.359 1.030 14.649 21 1HH1 ARG 2 1HH1 ARG 2 -15.663 2.272 12.823 22 2HH1 ARG 2 2HH1 ARG 2 -15.303 3.524 13.964 23 1HH2 ARG 2 1HH2 ARG 2 -17.890 2.672 16.156 24 2HH2 ARG 2 2HH2 ARG 2 -16.568 3.751 15.859 25 H GLY 3 H GLY 3 -16.320 -4.330 10.574 26 1HA GLY 3 2HA GLY 3 -14.774 -6.001 10.086 27 2HA GLY 3 1HA GLY 3 -13.509 -4.782 10.047 28 H SER 4 H SER 4 -13.607 -7.444 11.355 29 HA SER 4 HA SER 4 -13.357 -6.639 14.170 30 1HB SER 4 2HB SER 4 -13.343 -9.498 13.254 31 2HB SER 4 1HB SER 4 -13.852 -8.828 14.804 32 HG SER 4 HG SER 4 -15.430 -9.487 12.912 33 H ASN 5 H ASN 5 -11.845 -9.573 13.204 34 HA ASN 5 HA ASN 5 -9.263 -8.517 12.618 35 1HB ASN 5 2HB ASN 5 -9.946 -8.662 15.358 36 2HB ASN 5 1HB ASN 5 -8.837 -9.993 15.049 37 1HD2 ASN 5 1HD2 ASN 5 -6.735 -9.553 14.399 38 2HD2 ASN 5 2HD2 ASN 5 -6.032 -7.984 14.562 39 H ALA 6 H ALA 6 -8.768 -9.957 11.086 40 HA ALA 6 HA ALA 6 -8.508 -12.751 11.826 41 1HB ALA 6 1HB ALA 6 -9.726 -12.985 9.349 42 2HB ALA 6 2HB ALA 6 -10.704 -11.790 10.202 43 3HB ALA 6 3HB ALA 6 -10.437 -13.382 10.914 44 HA PRO 7 HA PRO 7 -5.303 -11.258 8.826 45 1HB PRO 7 2HB PRO 7 -3.150 -11.325 10.401 46 2HB PRO 7 1HB PRO 7 -4.285 -9.970 10.465 47 1HG PRO 7 2HG PRO 7 -3.992 -12.290 12.324 48 2HG PRO 7 1HG PRO 7 -4.337 -10.591 12.694 49 1HD PRO 7 2HD PRO 7 -6.232 -12.621 12.539 50 2HD PRO 7 1HD PRO 7 -6.579 -10.885 12.431 51 H GLN 8 H GLN 8 -4.106 -12.604 7.570 52 HA GLN 8 HA GLN 8 -2.966 -15.039 8.592 53 1HB GLN 8 2HB GLN 8 -4.235 -16.412 6.810 54 2HB GLN 8 1HB GLN 8 -5.061 -16.026 8.313 55 1HG GLN 8 2HG GLN 8 -6.528 -14.611 7.309 56 2HG GLN 8 1HG GLN 8 -5.391 -14.150 6.043 57 1HE2 GLN 8 1HE2 GLN 8 -8.155 -15.821 6.679 58 2HE2 GLN 8 2HE2 GLN 8 -8.177 -16.873 5.310 59 HA PRO 9 HA PRO 9 -0.109 -13.720 5.413 60 1HB PRO 9 2HB PRO 9 0.946 -16.470 5.795 61 2HB PRO 9 1HB PRO 9 1.788 -14.919 5.881 62 1HG PRO 9 2HG PRO 9 1.222 -16.294 8.094 63 2HG PRO 9 1HG PRO 9 1.117 -14.524 8.063 64 1HD PRO 9 2HD PRO 9 -1.071 -16.559 7.962 65 2HD PRO 9 1HD PRO 9 -1.027 -14.988 8.788 66 H SER 10 H SER 10 -1.023 -17.168 5.298 67 HA SER 10 HA SER 10 -1.734 -18.513 3.615 68 1HB SER 10 2HB SER 10 -3.125 -16.022 3.270 69 2HB SER 10 1HB SER 10 -2.788 -16.728 1.691 70 HG SER 10 HG SER 10 -3.656 -18.572 3.501 71 H HIS 11 H HIS 11 -1.251 -15.825 1.401 72 HA HIS 11 HA HIS 11 0.590 -17.427 -0.149 73 1HB HIS 11 2HB HIS 11 -0.949 -14.922 -0.565 74 2HB HIS 11 1HB HIS 11 0.535 -15.107 -1.493 75 HD2 HIS 11 2HD HIS 11 0.237 -18.287 -2.219 76 HE1 HIS 11 1HE HIS 11 -3.435 -17.046 -3.919 77 HE2 HIS 11 2HE HIS 11 -1.604 -18.801 -3.972 78 H ILE 12 H ILE 12 0.749 -14.012 0.873 79 HA ILE 12 HA ILE 12 3.657 -14.175 0.905 80 HB ILE 12 HB ILE 12 2.699 -12.230 -0.170 81 1HG1 ILE 12 2HG1 ILE 12 3.601 -10.521 1.817 82 2HG1 ILE 12 1HG1 ILE 12 4.421 -12.036 2.184 83 1HG2 ILE 12 1HG2 ILE 12 0.793 -12.368 1.848 84 2HG2 ILE 12 2HG2 ILE 12 0.910 -11.146 0.581 85 3HG2 ILE 12 3HG2 ILE 12 1.660 -10.863 2.152 86 1HD1 ILE 12 1HD1 ILE 12 4.940 -11.977 -0.396 87 2HD1 ILE 12 2HD1 ILE 12 5.929 -11.098 0.771 88 3HD1 ILE 12 3HD1 ILE 12 4.696 -10.246 -0.159 89 H SER 13 H SER 13 4.942 -13.868 2.692 90 HA SER 13 HA SER 13 3.904 -14.654 5.207 91 1HB SER 13 2HB SER 13 6.553 -13.741 4.181 92 2HB SER 13 1HB SER 13 6.283 -13.686 5.923 93 HG SER 13 HG SER 13 6.611 -15.750 5.932 94 H LYS 14 H LYS 14 5.100 -11.549 3.964 95 HA LYS 14 HA LYS 14 3.225 -10.095 5.568 96 1HB LYS 14 2HB LYS 14 4.866 -8.815 6.863 97 2HB LYS 14 1HB LYS 14 4.928 -10.525 7.264 98 1HG LYS 14 2HG LYS 14 6.782 -10.165 5.198 99 2HG LYS 14 1HG LYS 14 7.008 -8.805 6.300 100 1HD LYS 14 2HD LYS 14 6.674 -11.080 7.916 101 2HD LYS 14 1HD LYS 14 7.779 -11.551 6.623 102 1HE LYS 14 2HE LYS 14 8.915 -9.253 7.190 103 2HE LYS 14 1HE LYS 14 8.097 -9.471 8.737 104 1HZ LYS 14 1HZ LYS 14 9.229 -11.886 8.314 105 2HZ LYS 14 2HZ LYS 14 9.893 -10.659 9.271 106 3HZ LYS 14 3HZ LYS 14 10.390 -10.840 7.665 107 H TYR 15 H TYR 15 2.922 -8.026 4.865 108 HA TYR 15 HA TYR 15 4.539 -7.156 2.557 109 1HB TYR 15 2HB TYR 15 1.673 -7.512 2.891 110 2HB TYR 15 1HB TYR 15 2.056 -5.859 2.434 111 HD1 TYR 15 1HD TYR 15 1.032 -8.821 1.129 112 HD2 TYR 15 2HD TYR 15 4.061 -5.901 0.495 113 HE1 TYR 15 1HE TYR 15 1.205 -9.520 -1.222 114 HE2 TYR 15 2HE TYR 15 4.244 -6.593 -1.857 115 HH TYR 15 HH TYR 15 1.976 -8.794 -3.307 116 H ILE 16 H ILE 16 5.518 -5.187 2.785 117 HA ILE 16 HA ILE 16 4.561 -3.487 4.995 118 HB ILE 16 HB ILE 16 7.354 -3.747 3.884 119 1HG1 ILE 16 2HG1 ILE 16 6.676 -5.457 5.530 120 2HG1 ILE 16 1HG1 ILE 16 7.927 -4.398 6.173 121 1HG2 ILE 16 1HG2 ILE 16 7.845 -1.685 4.575 122 2HG2 ILE 16 2HG2 ILE 16 7.172 -2.013 6.171 123 3HG2 ILE 16 3HG2 ILE 16 6.128 -1.416 4.880 124 1HD1 ILE 16 1HD1 ILE 16 5.978 -5.032 7.695 125 2HD1 ILE 16 2HD1 ILE 16 5.028 -3.901 6.732 126 3HD1 ILE 16 3HD1 ILE 16 6.443 -3.333 7.618 127 H LEU 17 H LEU 17 4.008 -1.463 4.608 128 HA LEU 17 HA LEU 17 4.322 -0.476 1.857 129 1HB LEU 17 2HB LEU 17 2.008 -0.869 3.221 130 2HB LEU 17 1HB LEU 17 2.354 0.797 3.640 131 HG LEU 17 HG LEU 17 2.713 0.487 0.820 132 1HD1 LEU 17 1HD1 LEU 17 -0.130 -0.011 1.327 133 2HD1 LEU 17 2HD1 LEU 17 0.922 -1.389 1.653 134 3HD1 LEU 17 3HD1 LEU 17 0.927 -0.634 0.060 135 1HD2 LEU 17 1HD2 LEU 17 1.335 2.186 2.735 136 2HD2 LEU 17 2HD2 LEU 17 0.423 1.969 1.240 137 3HD2 LEU 17 3HD2 LEU 17 2.073 2.591 1.184 138 H ARG 18 H ARG 18 5.857 1.017 1.701 139 HA ARG 18 HA ARG 18 6.265 2.828 3.981 140 1HB ARG 18 2HB ARG 18 8.164 1.688 1.959 141 2HB ARG 18 1HB ARG 18 8.536 3.212 2.756 142 1HG ARG 18 2HG ARG 18 9.032 2.222 4.707 143 2HG ARG 18 1HG ARG 18 7.731 1.040 4.558 144 1HD ARG 18 2HD ARG 18 9.148 -0.510 3.833 145 2HD ARG 18 1HD ARG 18 9.728 0.558 2.556 146 HE ARG 18 HE ARG 18 11.500 1.207 3.921 147 1HH1 ARG 18 1HH1 ARG 18 9.345 -0.963 5.591 148 2HH1 ARG 18 2HH1 ARG 18 10.464 -1.294 6.872 149 1HH2 ARG 18 1HH2 ARG 18 12.978 0.781 5.606 150 2HH2 ARG 18 2HH2 ARG 18 12.528 -0.302 6.880 151 H TRP 19 H TRP 19 5.833 4.933 3.684 152 HA TRP 19 HA TRP 19 5.962 6.033 0.994 153 1HB TRP 19 2HB TRP 19 3.728 6.814 0.900 154 2HB TRP 19 1HB TRP 19 3.636 5.116 1.348 155 HD1 TRP 19 HD TRP 19 2.968 8.617 2.709 156 HE1 TRP 19 1HE TRP 19 1.571 8.417 4.862 157 HE3 TRP 19 3HE TRP 19 3.156 3.544 3.330 158 HZ2 TRP 19 2HZ TRP 19 0.667 6.377 6.593 159 HZ3 TRP 19 3HZ TRP 19 1.998 2.550 5.260 160 HH2 TRP 19 HH TRP 19 0.780 3.938 6.857 161 H ARG 20 H ARG 20 5.876 8.295 0.870 162 HA ARG 20 HA ARG 20 5.895 9.930 3.225 163 1HB ARG 20 2HB ARG 20 8.151 10.653 3.176 164 2HB ARG 20 1HB ARG 20 8.224 8.898 3.101 165 1HG ARG 20 2HG ARG 20 9.665 9.277 1.428 166 2HG ARG 20 1HG ARG 20 8.200 9.498 0.469 167 1HD ARG 20 2HD ARG 20 8.570 11.692 0.206 168 2HD ARG 20 1HD ARG 20 9.036 11.906 1.893 169 HE ARG 20 HE ARG 20 11.112 10.581 0.575 170 1HH1 ARG 20 1HH1 ARG 20 9.538 13.690 0.579 171 2HH1 ARG 20 2HH1 ARG 20 10.952 14.549 0.065 172 1HH2 ARG 20 1HH2 ARG 20 12.978 11.706 -0.100 173 2HH2 ARG 20 2HH2 ARG 20 12.906 13.422 -0.321 174 HA PRO 21 HA PRO 21 4.402 12.918 0.344 175 1HB PRO 21 2HB PRO 21 6.177 14.903 1.677 176 2HB PRO 21 1HB PRO 21 4.431 14.960 1.399 177 1HG PRO 21 2HG PRO 21 5.354 14.447 3.824 178 2HG PRO 21 1HG PRO 21 3.972 13.534 3.185 179 1HD PRO 21 2HD PRO 21 6.847 12.706 3.396 180 2HD PRO 21 1HD PRO 21 5.378 11.775 3.763 181 H LYS 22 H LYS 22 5.072 12.771 -1.690 182 HA LYS 22 HA LYS 22 7.800 12.825 -2.483 183 1HB LYS 22 2HB LYS 22 5.648 11.789 -3.623 184 2HB LYS 22 1HB LYS 22 5.604 13.346 -4.437 185 1HG LYS 22 2HG LYS 22 8.125 12.805 -4.921 186 2HG LYS 22 1HG LYS 22 7.589 11.145 -4.655 187 1HD LYS 22 2HD LYS 22 5.936 12.848 -6.435 188 2HD LYS 22 1HD LYS 22 7.500 12.308 -7.050 189 1HE LYS 22 2HE LYS 22 5.394 10.485 -5.897 190 2HE LYS 22 1HE LYS 22 5.608 10.794 -7.620 191 1HZ LYS 22 1HZ LYS 22 8.063 10.082 -7.009 192 2HZ LYS 22 2HZ LYS 22 6.878 8.947 -7.416 193 3HZ LYS 22 3HZ LYS 22 7.258 9.227 -5.791 194 H ASN 23 H ASN 23 5.215 15.216 -2.437 195 HA ASN 23 HA ASN 23 6.820 17.188 -3.821 196 1HB ASN 23 2HB ASN 23 4.030 16.894 -3.057 197 2HB ASN 23 1HB ASN 23 4.640 18.506 -2.693 198 1HD2 ASN 23 1HD2 ASN 23 2.712 18.362 -4.499 199 2HD2 ASN 23 2HD2 ASN 23 3.317 18.615 -6.098 200 H SER 24 H SER 24 5.791 16.482 -0.535 201 HA SER 24 HA SER 24 7.183 18.846 0.468 202 1HB SER 24 2HB SER 24 4.846 17.739 1.264 203 2HB SER 24 1HB SER 24 5.957 16.942 2.379 204 HG SER 24 HG SER 24 6.653 18.968 3.069 205 H VAL 25 H VAL 25 8.070 18.027 2.908 206 HA VAL 25 HA VAL 25 9.937 15.823 2.384 207 HB VAL 25 HB VAL 25 11.284 17.714 1.911 208 1HG1 VAL 25 1HG1 VAL 25 10.821 19.743 2.672 209 2HG1 VAL 25 2HG1 VAL 25 11.194 19.241 4.320 210 3HG1 VAL 25 3HG1 VAL 25 9.558 19.055 3.690 211 1HG2 VAL 25 1HG2 VAL 25 11.812 16.962 4.786 212 2HG2 VAL 25 2HG2 VAL 25 12.974 17.658 3.657 213 3HG2 VAL 25 3HG2 VAL 25 12.331 16.041 3.375 214 H GLY 26 H GLY 26 9.210 14.375 3.833 215 1HA GLY 26 2HA GLY 26 9.233 15.196 6.659 216 2HA GLY 26 1HA GLY 26 7.846 14.324 6.023 217 H ARG 27 H ARG 27 7.972 12.429 7.087 218 HA ARG 27 HA ARG 27 10.439 10.864 6.710 219 1HB ARG 27 2HB ARG 27 8.596 10.714 9.101 220 2HB ARG 27 1HB ARG 27 10.098 9.827 8.874 221 1HG ARG 27 2HG ARG 27 11.139 11.457 9.947 222 2HG ARG 27 1HG ARG 27 10.786 12.514 8.579 223 1HD ARG 27 2HD ARG 27 8.842 12.063 10.827 224 2HD ARG 27 1HD ARG 27 10.062 13.335 10.869 225 HE ARG 27 HE ARG 27 8.966 14.389 9.038 226 1HH1 ARG 27 1HH1 ARG 27 7.258 11.644 10.340 227 2HH1 ARG 27 2HH1 ARG 27 5.735 12.103 9.653 228 1HH2 ARG 27 1HH2 ARG 27 6.965 15.001 8.133 229 2HH2 ARG 27 2HH2 ARG 27 5.569 14.011 8.398 230 H TRP 28 H TRP 28 10.191 8.621 6.406 231 HA TRP 28 HA TRP 28 7.940 7.880 4.859 232 1HB TRP 28 2HB TRP 28 10.227 6.288 6.020 233 2HB TRP 28 1HB TRP 28 8.980 5.565 5.008 234 HD1 TRP 28 HD TRP 28 11.888 8.075 4.825 235 HE1 TRP 28 1HE TRP 28 12.600 8.310 2.362 236 HE3 TRP 28 3HE TRP 28 8.189 5.303 2.642 237 HZ2 TRP 28 2HZ TRP 28 11.711 7.435 -0.170 238 HZ3 TRP 28 3HZ TRP 28 8.192 5.052 0.195 239 HH2 TRP 28 HH TRP 28 9.917 6.097 -1.181 240 H LYS 29 H LYS 29 6.857 5.649 5.364 241 HA LYS 29 HA LYS 29 6.202 5.357 8.193 242 1HB LYS 29 2HB LYS 29 4.447 6.564 6.216 243 2HB LYS 29 1HB LYS 29 3.724 5.129 6.930 244 1HG LYS 29 2HG LYS 29 4.954 6.916 8.883 245 2HG LYS 29 1HG LYS 29 3.628 7.646 7.978 246 1HD LYS 29 2HD LYS 29 2.193 5.741 8.572 247 2HD LYS 29 1HD LYS 29 3.521 5.046 9.507 248 1HE LYS 29 2HE LYS 29 2.830 6.214 11.265 249 2HE LYS 29 1HE LYS 29 3.243 7.693 10.398 250 1HZ LYS 29 1HZ LYS 29 1.027 7.773 9.494 251 2HZ LYS 29 2HZ LYS 29 0.937 7.672 11.179 252 3HZ LYS 29 3HZ LYS 29 0.622 6.305 10.233 253 H GLU 30 H GLU 30 5.325 3.283 8.700 254 HA GLU 30 HA GLU 30 5.608 1.338 6.501 255 1HB GLU 30 2HB GLU 30 6.218 0.877 9.424 256 2HB GLU 30 1HB GLU 30 6.451 -0.273 8.116 257 1HG GLU 30 2HG GLU 30 8.031 1.460 7.109 258 2HG GLU 30 1HG GLU 30 7.974 2.243 8.688 259 H ALA 31 H ALA 31 4.062 -0.146 6.197 260 HA ALA 31 HA ALA 31 1.967 -0.498 8.211 261 1HB ALA 31 1HB ALA 31 1.223 -0.072 5.333 262 2HB ALA 31 2HB ALA 31 1.319 1.267 6.478 263 3HB ALA 31 3HB ALA 31 0.183 -0.053 6.757 264 H THR 32 H THR 32 2.015 -2.602 8.617 265 HA THR 32 HA THR 32 2.858 -4.495 6.600 266 HB THR 32 HB THR 32 1.864 -5.260 9.329 267 HG1 THR 32 1HG THR 32 4.539 -4.986 9.266 268 1HG2 THR 32 1HG2 THR 32 3.884 -6.424 7.408 269 2HG2 THR 32 2HG2 THR 32 2.312 -7.098 7.836 270 3HG2 THR 32 3HG2 THR 32 3.600 -7.032 9.039 271 H ILE 33 H ILE 33 1.637 -5.986 5.587 272 HA ILE 33 HA ILE 33 -1.236 -6.086 6.197 273 HB ILE 33 HB ILE 33 -0.437 -6.453 3.368 274 1HG1 ILE 33 2HG1 ILE 33 0.851 -4.429 4.151 275 2HG1 ILE 33 1HG1 ILE 33 -0.293 -4.122 2.849 276 1HG2 ILE 33 1HG2 ILE 33 -2.602 -4.868 3.347 277 2HG2 ILE 33 2HG2 ILE 33 -2.793 -5.617 4.932 278 3HG2 ILE 33 3HG2 ILE 33 -2.682 -6.624 3.488 279 1HD1 ILE 33 1HD1 ILE 33 -0.132 -2.470 4.825 280 2HD1 ILE 33 2HD1 ILE 33 -1.092 -3.670 5.690 281 3HD1 ILE 33 3HD1 ILE 33 -1.722 -2.932 4.217 282 HA PRO 34 HA PRO 34 -0.019 -10.421 6.203 283 1HB PRO 34 2HB PRO 34 -2.209 -11.374 7.437 284 2HB PRO 34 1HB PRO 34 -0.957 -10.486 8.314 285 1HG PRO 34 2HG PRO 34 -3.613 -9.539 7.322 286 2HG PRO 34 1HG PRO 34 -2.798 -9.185 8.855 287 1HD PRO 34 2HD PRO 34 -2.825 -7.492 6.689 288 2HD PRO 34 1HD PRO 34 -1.574 -7.485 7.947 289 H GLY 35 H GLY 35 -0.152 -10.628 3.903 290 1HA GLY 35 2HA GLY 35 -0.975 -11.632 2.005 291 2HA GLY 35 1HA GLY 35 -2.214 -12.359 3.017 292 H HIS 36 H HIS 36 -4.208 -11.350 3.241 293 HA HIS 36 HA HIS 36 -4.752 -8.807 2.034 294 1HB HIS 36 2HB HIS 36 -4.672 -10.606 0.139 295 2HB HIS 36 1HB HIS 36 -6.242 -11.088 0.777 296 HD2 HIS 36 2HD HIS 36 -8.319 -9.680 -0.187 297 HE1 HIS 36 1HE HIS 36 -6.078 -6.462 -1.782 298 HE2 HIS 36 2HE HIS 36 -8.405 -7.405 -1.432 299 H LEU 37 H LEU 37 -5.321 -8.706 4.331 300 HA LEU 37 HA LEU 37 -7.450 -10.186 5.436 301 1HB LEU 37 2HB LEU 37 -7.300 -8.771 7.286 302 2HB LEU 37 1HB LEU 37 -5.671 -8.806 6.638 303 HG LEU 37 HG LEU 37 -7.661 -6.577 6.184 304 1HD1 LEU 37 1HD1 LEU 37 -5.558 -7.033 8.232 305 2HD1 LEU 37 2HD1 LEU 37 -7.127 -6.241 8.377 306 3HD1 LEU 37 3HD1 LEU 37 -5.781 -5.400 7.606 307 1HD2 LEU 37 1HD2 LEU 37 -5.640 -5.356 5.388 308 2HD2 LEU 37 2HD2 LEU 37 -6.129 -6.694 4.349 309 3HD2 LEU 37 3HD2 LEU 37 -4.757 -6.880 5.442 310 H ASN 38 H ASN 38 -7.331 -7.224 3.575 311 HA ASN 38 HA ASN 38 -9.900 -7.347 2.582 312 1HB ASN 38 2HB ASN 38 -11.049 -5.546 3.885 313 2HB ASN 38 1HB ASN 38 -10.774 -7.016 4.812 314 1HD2 ASN 38 1HD2 ASN 38 -9.156 -3.941 4.077 315 2HD2 ASN 38 2HD2 ASN 38 -8.577 -3.670 5.681 316 H SER 39 H SER 39 -10.647 -4.755 2.218 317 HA SER 39 HA SER 39 -8.555 -3.786 0.506 318 1HB SER 39 2HB SER 39 -11.396 -3.079 1.036 319 2HB SER 39 1HB SER 39 -10.365 -1.805 0.386 320 HG SER 39 HG SER 39 -10.775 -2.735 -1.454 321 H TYR 40 H TYR 40 -6.849 -2.863 1.456 322 HA TYR 40 HA TYR 40 -7.194 -1.169 3.795 323 1HB TYR 40 2HB TYR 40 -5.303 -2.933 3.350 324 2HB TYR 40 1HB TYR 40 -4.557 -1.622 2.445 325 HD1 TYR 40 1HD TYR 40 -4.781 -3.148 5.587 326 HD2 TYR 40 2HD TYR 40 -4.447 0.682 3.763 327 HE1 TYR 40 1HE TYR 40 -3.858 -2.238 7.677 328 HE2 TYR 40 2HE TYR 40 -3.525 1.601 5.848 329 HH TYR 40 HH TYR 40 -2.278 -0.170 8.246 330 H THR 41 H THR 41 -7.595 0.921 3.574 331 HA THR 41 HA THR 41 -6.546 2.317 1.199 332 HB THR 41 HB THR 41 -8.943 3.185 2.813 333 HG1 THR 41 1HG THR 41 -9.305 2.074 0.288 334 1HG2 THR 41 1HG2 THR 41 -9.430 4.584 0.909 335 2HG2 THR 41 2HG2 THR 41 -8.081 3.891 0.007 336 3HG2 THR 41 3HG2 THR 41 -7.772 4.889 1.429 337 H ILE 42 H ILE 42 -5.235 4.012 1.494 338 HA ILE 42 HA ILE 42 -4.717 4.882 4.251 339 HB ILE 42 HB ILE 42 -3.039 5.194 1.757 340 1HG1 ILE 42 2HG1 ILE 42 -1.802 3.786 3.943 341 2HG1 ILE 42 1HG1 ILE 42 -3.349 3.041 3.555 342 1HG2 ILE 42 1HG2 ILE 42 -2.899 6.488 4.382 343 2HG2 ILE 42 2HG2 ILE 42 -2.190 6.966 2.839 344 3HG2 ILE 42 3HG2 ILE 42 -1.387 5.758 3.842 345 1HD1 ILE 42 1HD1 ILE 42 -1.155 3.587 1.571 346 2HD1 ILE 42 2HD1 ILE 42 -2.669 2.738 1.264 347 3HD1 ILE 42 3HD1 ILE 42 -1.467 2.035 2.345 348 H LYS 43 H LYS 43 -5.192 6.885 4.916 349 HA LYS 43 HA LYS 43 -5.737 8.961 2.909 350 1HB LYS 43 2HB LYS 43 -7.503 8.248 5.256 351 2HB LYS 43 1HB LYS 43 -7.689 9.701 4.284 352 1HG LYS 43 2HG LYS 43 -7.897 8.114 2.288 353 2HG LYS 43 1HG LYS 43 -8.139 6.848 3.493 354 1HD LYS 43 2HD LYS 43 -10.252 7.473 3.819 355 2HD LYS 43 1HD LYS 43 -9.770 9.148 4.088 356 1HE LYS 43 2HE LYS 43 -10.133 9.747 1.915 357 2HE LYS 43 1HE LYS 43 -9.770 8.136 1.297 358 1HZ LYS 43 1HZ LYS 43 -12.168 8.462 2.942 359 2HZ LYS 43 2HZ LYS 43 -11.888 7.427 1.634 360 3HZ LYS 43 3HZ LYS 43 -12.211 9.064 1.361 361 H GLY 44 H GLY 44 -6.454 11.018 4.570 362 1HA GLY 44 2HA GLY 44 -5.731 12.328 6.402 363 2HA GLY 44 1HA GLY 44 -4.379 11.229 6.625 364 H LEU 45 H LEU 45 -4.628 11.887 3.388 365 HA LEU 45 HA LEU 45 -2.264 13.492 3.403 366 1HB LEU 45 2HB LEU 45 -4.072 12.873 1.068 367 2HB LEU 45 1HB LEU 45 -2.408 13.419 0.990 368 HG LEU 45 HG LEU 45 -2.141 11.177 0.562 369 1HD1 LEU 45 1HD1 LEU 45 -1.357 10.016 2.583 370 2HD1 LEU 45 2HD1 LEU 45 -2.079 11.284 3.573 371 3HD1 LEU 45 3HD1 LEU 45 -0.751 11.668 2.479 372 1HD2 LEU 45 1HD2 LEU 45 -4.208 10.221 0.608 373 2HD2 LEU 45 2HD2 LEU 45 -4.593 10.861 2.204 374 3HD2 LEU 45 3HD2 LEU 45 -3.508 9.480 2.047 375 H LYS 46 H LYS 46 -2.550 15.315 1.402 376 HA LYS 46 HA LYS 46 -4.756 17.068 2.212 377 1HB LYS 46 2HB LYS 46 -1.963 18.146 1.909 378 2HB LYS 46 1HB LYS 46 -3.366 18.938 2.608 379 1HG LYS 46 2HG LYS 46 -3.163 17.844 4.607 380 2HG LYS 46 1HG LYS 46 -2.340 16.457 3.890 381 1HD LYS 46 2HD LYS 46 -0.446 18.183 3.415 382 2HD LYS 46 1HD LYS 46 -1.242 19.123 4.679 383 1HE LYS 46 2HE LYS 46 -1.118 16.995 6.090 384 2HE LYS 46 1HE LYS 46 0.022 16.405 4.879 385 1HZ LYS 46 1HZ LYS 46 0.726 19.021 5.695 386 2HZ LYS 46 2HZ LYS 46 1.629 17.595 5.800 387 3HZ LYS 46 3HZ LYS 46 0.574 18.023 7.051 388 HA PRO 47 HA PRO 47 -5.098 17.855 -2.117 389 1HB PRO 47 2HB PRO 47 -6.199 20.333 -2.117 390 2HB PRO 47 1HB PRO 47 -7.099 18.885 -1.651 391 1HG PRO 47 2HG PRO 47 -5.779 20.936 0.086 392 2HG PRO 47 1HG PRO 47 -7.371 20.175 0.267 393 1HD PRO 47 2HD PRO 47 -5.208 19.382 1.688 394 2HD PRO 47 1HD PRO 47 -6.489 18.257 1.190 395 H GLY 48 H GLY 48 -3.468 18.280 -3.455 396 1HA GLY 48 2HA GLY 48 -2.232 19.980 -4.664 397 2HA GLY 48 1HA GLY 48 -2.029 20.836 -3.143 398 H VAL 49 H VAL 49 -1.525 18.003 -1.963 399 HA VAL 49 HA VAL 49 1.290 17.848 -2.829 400 HB VAL 49 HB VAL 49 1.190 18.762 -0.588 401 1HG1 VAL 49 1HG1 VAL 49 -0.224 18.116 1.003 402 2HG1 VAL 49 2HG1 VAL 49 0.159 16.413 0.768 403 3HG1 VAL 49 3HG1 VAL 49 -1.041 17.195 -0.260 404 1HG2 VAL 49 1HG2 VAL 49 2.034 16.084 0.198 405 2HG2 VAL 49 2HG2 VAL 49 2.963 17.580 0.087 406 3HG2 VAL 49 3HG2 VAL 49 2.695 16.598 -1.354 407 H VAL 50 H VAL 50 1.922 15.963 -3.632 408 HA VAL 50 HA VAL 50 0.142 13.657 -3.363 409 HB VAL 50 HB VAL 50 2.468 14.142 -5.230 410 1HG1 VAL 50 1HG1 VAL 50 2.556 11.868 -5.134 411 2HG1 VAL 50 2HG1 VAL 50 1.263 12.037 -6.323 412 3HG1 VAL 50 3HG1 VAL 50 0.872 11.714 -4.633 413 1HG2 VAL 50 1HG2 VAL 50 -0.012 13.652 -6.539 414 2HG2 VAL 50 2HG2 VAL 50 0.987 15.105 -6.574 415 3HG2 VAL 50 3HG2 VAL 50 -0.252 14.917 -5.332 416 H TYR 51 H TYR 51 0.789 11.701 -2.541 417 HA TYR 51 HA TYR 51 3.333 11.734 -1.064 418 1HB TYR 51 2HB TYR 51 0.756 10.253 -0.516 419 2HB TYR 51 1HB TYR 51 2.251 9.981 0.374 420 HD1 TYR 51 1HD TYR 51 -0.090 12.730 -0.570 421 HD2 TYR 51 2HD TYR 51 2.651 11.204 2.301 422 HE1 TYR 51 1HE TYR 51 -0.671 14.569 0.952 423 HE2 TYR 51 2HE TYR 51 2.079 13.041 3.832 424 HH TYR 51 HH TYR 51 -0.119 14.598 4.100 425 H GLU 52 H GLU 52 4.875 10.386 -1.680 426 HA GLU 52 HA GLU 52 4.269 8.361 -3.686 427 1HB GLU 52 2HB GLU 52 6.473 8.452 -4.306 428 2HB GLU 52 1HB GLU 52 6.305 10.056 -3.611 429 1HG GLU 52 2HG GLU 52 7.987 9.613 -2.253 430 2HG GLU 52 1HG GLU 52 7.024 8.343 -1.499 431 H GLY 53 H GLY 53 5.047 6.143 -3.460 432 1HA GLY 53 2HA GLY 53 5.882 5.206 -0.881 433 2HA GLY 53 1HA GLY 53 4.190 4.866 -1.194 434 H GLN 54 H GLN 54 6.362 3.024 -0.782 435 HA GLN 54 HA GLN 54 6.125 1.485 -3.267 436 1HB GLN 54 2HB GLN 54 8.554 0.701 -2.147 437 2HB GLN 54 1HB GLN 54 8.338 1.684 -3.590 438 1HG GLN 54 2HG GLN 54 8.452 3.703 -2.267 439 2HG GLN 54 1HG GLN 54 8.585 2.751 -0.789 440 1HE2 GLN 54 1HE2 GLN 54 10.298 4.543 -2.868 441 2HE2 GLN 54 2HE2 GLN 54 11.858 3.821 -2.696 442 H LEU 55 H LEU 55 5.482 -0.573 -2.943 443 HA LEU 55 HA LEU 55 5.148 -1.447 -0.165 444 1HB LEU 55 2HB LEU 55 3.133 -1.424 -1.496 445 2HB LEU 55 1HB LEU 55 3.899 -2.379 -2.747 446 HG LEU 55 HG LEU 55 4.111 -4.230 -1.008 447 1HD1 LEU 55 1HD1 LEU 55 2.113 -2.473 0.408 448 2HD1 LEU 55 2HD1 LEU 55 3.726 -2.895 0.981 449 3HD1 LEU 55 3HD1 LEU 55 2.489 -4.143 0.831 450 1HD2 LEU 55 1HD2 LEU 55 1.231 -3.741 -1.420 451 2HD2 LEU 55 2HD2 LEU 55 2.218 -5.144 -1.831 452 3HD2 LEU 55 3HD2 LEU 55 2.242 -3.715 -2.864 453 H ILE 56 H ILE 56 6.862 -2.567 0.548 454 HA ILE 56 HA ILE 56 8.316 -4.332 -1.259 455 HB ILE 56 HB ILE 56 8.861 -3.533 1.602 456 1HG1 ILE 56 2HG1 ILE 56 10.995 -2.743 0.082 457 2HG1 ILE 56 1HG1 ILE 56 9.659 -2.521 -1.044 458 1HG2 ILE 56 1HG2 ILE 56 9.605 -5.857 1.049 459 2HG2 ILE 56 2HG2 ILE 56 10.912 -4.757 1.489 460 3HG2 ILE 56 3HG2 ILE 56 10.636 -5.167 -0.204 461 1HD1 ILE 56 1HD1 ILE 56 8.594 -0.978 0.375 462 2HD1 ILE 56 2HD1 ILE 56 10.299 -0.529 0.359 463 3HD1 ILE 56 3HD1 ILE 56 9.629 -1.401 1.738 464 H SER 57 H SER 57 8.357 -6.519 -1.120 465 HA SER 57 HA SER 57 6.516 -7.739 0.824 466 1HB SER 57 2HB SER 57 5.434 -8.615 -0.910 467 2HB SER 57 1HB SER 57 6.583 -7.867 -2.022 468 HG SER 57 HG SER 57 7.044 -10.328 -0.686 469 H ILE 58 H ILE 58 7.373 -9.000 2.225 470 HA ILE 58 HA ILE 58 9.931 -10.338 1.647 471 HB ILE 58 HB ILE 58 8.901 -9.694 4.407 472 1HG1 ILE 58 2HG1 ILE 58 11.024 -7.987 3.913 473 2HG1 ILE 58 1HG1 ILE 58 10.116 -7.943 2.404 474 1HG2 ILE 58 1HG2 ILE 58 10.524 -11.313 4.654 475 2HG2 ILE 58 2HG2 ILE 58 11.483 -9.838 4.767 476 3HG2 ILE 58 3HG2 ILE 58 11.447 -10.752 3.260 477 1HD1 ILE 58 1HD1 ILE 58 8.200 -7.111 3.458 478 2HD1 ILE 58 2HD1 ILE 58 9.542 -6.213 4.168 479 3HD1 ILE 58 3HD1 ILE 58 8.794 -7.536 5.063 480 H GLN 59 H GLN 59 9.885 -12.496 1.584 481 HA GLN 59 HA GLN 59 7.597 -13.865 2.839 482 1HB GLN 59 2HB GLN 59 8.938 -15.317 0.684 483 2HB GLN 59 1HB GLN 59 7.225 -15.069 0.975 484 1HG GLN 59 2HG GLN 59 7.447 -12.789 0.033 485 2HG GLN 59 1HG GLN 59 9.125 -13.157 -0.361 486 1HE2 GLN 59 1HE2 GLN 59 8.312 -15.989 -0.946 487 2HE2 GLN 59 2HE2 GLN 59 7.612 -15.922 -2.523 488 H GLN 60 H GLN 60 8.176 -16.364 2.949 489 HA GLN 60 HA GLN 60 10.172 -16.604 4.932 490 1HB GLN 60 2HB GLN 60 9.748 -19.089 4.638 491 2HB GLN 60 1HB GLN 60 8.348 -18.108 5.051 492 1HG GLN 60 2HG GLN 60 8.412 -18.137 2.267 493 2HG GLN 60 1HG GLN 60 8.809 -19.783 2.757 494 1HE2 GLN 60 1HE2 GLN 60 6.512 -19.303 1.395 495 2HE2 GLN 60 2HE2 GLN 60 5.147 -19.515 2.433 496 H TYR 61 H TYR 61 10.265 -16.829 1.500 497 HA TYR 61 HA TYR 61 12.748 -18.331 1.449 498 1HB TYR 61 2HB TYR 61 10.765 -17.420 -0.543 499 2HB TYR 61 1HB TYR 61 12.433 -17.466 -1.105 500 HD1 TYR 61 1HD TYR 61 13.250 -19.446 -1.979 501 HD2 TYR 61 2HD TYR 61 9.963 -19.598 0.719 502 HE1 TYR 61 1HE TYR 61 13.064 -21.869 -2.351 503 HE2 TYR 61 2HE TYR 61 9.768 -22.021 0.355 504 HH TYR 61 HH TYR 61 11.958 -23.727 -1.866 505 H GLY 62 H GLY 62 11.932 -15.200 2.077 506 1HA GLY 62 2HA GLY 62 13.339 -13.395 2.448 507 2HA GLY 62 1HA GLY 62 14.649 -14.306 1.719 508 H HIS 63 H HIS 63 11.667 -13.955 -0.014 509 HA HIS 63 HA HIS 63 12.951 -12.748 -2.234 510 1HB HIS 63 2HB HIS 63 10.150 -13.474 -1.529 511 2HB HIS 63 1HB HIS 63 10.389 -12.313 -2.831 512 HD2 HIS 63 2HD HIS 63 12.222 -13.383 -4.892 513 HE1 HIS 63 1HE HIS 63 10.877 -17.313 -4.089 514 HE2 HIS 63 2HE HIS 63 12.283 -15.870 -5.626 515 H GLN 64 H GLN 64 11.905 -10.714 -3.259 516 HA GLN 64 HA GLN 64 11.212 -8.682 -1.297 517 1HB GLN 64 2HB GLN 64 13.776 -8.751 -2.823 518 2HB GLN 64 1HB GLN 64 13.012 -7.194 -2.530 519 1HG GLN 64 2HG GLN 64 12.976 -8.549 -0.077 520 2HG GLN 64 1HG GLN 64 14.579 -8.811 -0.763 521 1HE2 GLN 64 1HE2 GLN 64 12.205 -6.265 -0.130 522 2HE2 GLN 64 2HE2 GLN 64 13.362 -5.029 0.218 523 H GLU 65 H GLU 65 9.224 -8.550 -2.328 524 HA GLU 65 HA GLU 65 9.209 -7.678 -5.130 525 1HB GLU 65 2HB GLU 65 7.656 -9.517 -3.818 526 2HB GLU 65 1HB GLU 65 6.636 -8.088 -3.761 527 1HG GLU 65 2HG GLU 65 7.429 -8.069 -6.359 528 2HG GLU 65 1HG GLU 65 7.361 -9.799 -6.023 529 H VAL 66 H VAL 66 9.190 -5.541 -5.464 530 HA VAL 66 HA VAL 66 7.661 -3.880 -3.584 531 HB VAL 66 HB VAL 66 9.908 -3.511 -2.960 532 1HG1 VAL 66 1HG1 VAL 66 11.708 -3.441 -4.321 533 2HG1 VAL 66 2HG1 VAL 66 10.843 -2.613 -5.616 534 3HG1 VAL 66 3HG1 VAL 66 10.634 -4.349 -5.381 535 1HG2 VAL 66 1HG2 VAL 66 8.289 -1.492 -3.681 536 2HG2 VAL 66 2HG2 VAL 66 9.675 -1.146 -4.717 537 3HG2 VAL 66 3HG2 VAL 66 9.883 -1.248 -2.968 538 H THR 67 H THR 67 6.472 -2.263 -4.393 539 HA THR 67 HA THR 67 6.684 -1.612 -7.244 540 HB THR 67 HB THR 67 4.064 -2.226 -5.861 541 HG1 THR 67 1HG THR 67 5.857 -3.864 -7.018 542 1HG2 THR 67 1HG2 THR 67 4.182 -2.132 -8.789 543 2HG2 THR 67 2HG2 THR 67 4.502 -0.585 -8.006 544 3HG2 THR 67 3HG2 THR 67 2.997 -1.443 -7.679 545 H ARG 68 H ARG 68 6.708 0.526 -7.547 546 HA ARG 68 HA ARG 68 6.139 2.294 -5.323 547 1HB ARG 68 2HB ARG 68 6.844 3.260 -8.071 548 2HB ARG 68 1HB ARG 68 7.272 3.942 -6.508 549 1HG ARG 68 2HG ARG 68 8.442 1.401 -6.574 550 2HG ARG 68 1HG ARG 68 8.738 2.115 -8.160 551 1HD ARG 68 2HD ARG 68 10.316 3.420 -7.307 552 2HD ARG 68 1HD ARG 68 9.167 4.095 -6.154 553 HE ARG 68 HE ARG 68 9.791 2.321 -4.624 554 1HH1 ARG 68 1HH1 ARG 68 11.869 2.815 -7.379 555 2HH1 ARG 68 2HH1 ARG 68 13.247 2.079 -6.632 556 1HH2 ARG 68 1HH2 ARG 68 11.602 1.351 -3.635 557 2HH2 ARG 68 2HH2 ARG 68 13.096 1.247 -4.505 558 H PHE 69 H PHE 69 4.571 3.932 -5.303 559 HA PHE 69 HA PHE 69 2.692 4.178 -7.480 560 1HB PHE 69 2HB PHE 69 0.779 3.724 -5.735 561 2HB PHE 69 1HB PHE 69 1.517 2.394 -6.621 562 HD1 PHE 69 1HD PHE 69 2.095 4.314 -3.462 563 HD2 PHE 69 2HD PHE 69 2.069 0.532 -5.414 564 HE1 PHE 69 1HE PHE 69 2.671 3.217 -1.332 565 HE2 PHE 69 2HE PHE 69 2.641 -0.571 -3.292 566 HZ PHE 69 HZ PHE 69 2.940 0.770 -1.249 567 H ASP 70 H ASP 70 1.431 6.002 -7.394 568 HA ASP 70 HA ASP 70 2.099 7.904 -5.248 569 1HB ASP 70 2HB ASP 70 0.978 8.638 -7.952 570 2HB ASP 70 1HB ASP 70 1.802 9.679 -6.795 571 H PHE 71 H PHE 71 0.505 8.335 -3.846 572 HA PHE 71 HA PHE 71 -2.268 8.085 -4.795 573 1HB PHE 71 2HB PHE 71 -2.925 6.985 -2.768 574 2HB PHE 71 1HB PHE 71 -1.542 6.116 -3.431 575 HD1 PHE 71 1HD PHE 71 -2.797 8.104 -0.667 576 HD2 PHE 71 2HD PHE 71 0.663 6.301 -2.367 577 HE1 PHE 71 1HE PHE 71 -1.622 8.347 1.480 578 HE2 PHE 71 2HE PHE 71 1.845 6.541 -0.222 579 HZ PHE 71 HZ PHE 71 0.702 7.564 1.705 580 H THR 72 H THR 72 -3.810 9.408 -3.843 581 HA THR 72 HA THR 72 -2.915 11.460 -1.963 582 HB THR 72 HB THR 72 -3.945 13.259 -3.300 583 HG1 THR 72 1HG THR 72 -5.133 12.736 -4.962 584 1HG2 THR 72 1HG2 THR 72 -1.527 11.835 -3.965 585 2HG2 THR 72 2HG2 THR 72 -1.837 13.571 -3.966 586 3HG2 THR 72 3HG2 THR 72 -2.206 12.609 -5.398 587 H THR 73 H THR 73 -4.795 12.728 -1.104 588 HA THR 73 HA THR 73 -7.112 10.944 -0.846 589 HB THR 73 HB THR 73 -5.882 11.667 1.230 590 HG1 THR 73 1HG THR 73 -7.809 11.093 1.904 591 1HG2 THR 73 1HG2 THR 73 -7.195 14.328 0.673 592 2HG2 THR 73 2HG2 THR 73 -5.468 14.007 0.517 593 3HG2 THR 73 3HG2 THR 73 -6.247 13.897 2.095 594 H THR 74 H THR 74 -6.161 14.110 -1.931 595 HA THR 74 HA THR 74 -8.702 14.477 -3.222 596 HB THR 74 HB THR 74 -9.403 15.326 -1.100 597 HG1 THR 74 1HG THR 74 -10.221 16.728 -2.521 598 1HG2 THR 74 1HG2 THR 74 -7.950 17.485 -0.369 599 2HG2 THR 74 2HG2 THR 74 -6.682 16.455 -1.034 600 3HG2 THR 74 3HG2 THR 74 -7.700 15.865 0.280 601 H SER 75 H SER 75 -5.599 14.525 -3.454 602 HA SER 75 HA SER 75 -5.235 17.123 -4.732 603 1HB SER 75 2HB SER 75 -3.456 16.254 -3.245 604 2HB SER 75 1HB SER 75 -3.251 14.873 -4.323 605 HG SER 75 HG SER 75 -2.985 16.740 -5.958 606 H THR 76 H THR 76 -3.765 14.118 -5.826 607 HA THR 76 HA THR 76 -5.422 13.704 -8.079 608 HB THR 76 HB THR 76 -4.597 15.638 -9.109 609 HG1 THR 76 1HG THR 76 -3.206 14.795 -10.765 610 1HG2 THR 76 1HG2 THR 76 -2.192 15.065 -7.549 611 2HG2 THR 76 2HG2 THR 76 -2.838 16.608 -8.105 612 3HG2 THR 76 3HG2 THR 76 -1.851 15.625 -9.186 613 H SER 77 H SER 77 -5.268 11.542 -7.889 614 HA SER 77 HA SER 77 -2.920 10.217 -8.772 615 1HB SER 77 2HB SER 77 -3.365 10.468 -5.852 616 2HB SER 77 1HB SER 77 -2.935 8.860 -6.437 617 HG SER 77 HG SER 77 -1.391 10.773 -7.573 618 H THR 78 H THR 78 -4.959 8.833 -6.275 619 HA THR 78 HA THR 78 -6.881 7.724 -8.082 620 HB THR 78 HB THR 78 -5.264 6.157 -8.741 621 HG1 THR 78 1HG THR 78 -6.582 4.928 -6.532 622 1HG2 THR 78 1HG2 THR 78 -3.441 6.464 -7.324 623 2HG2 THR 78 2HG2 THR 78 -3.993 4.842 -6.906 624 3HG2 THR 78 3HG2 THR 78 -4.404 6.208 -5.868 625 HA PRO 79 HA PRO 79 -8.678 7.669 -3.971 626 1HB PRO 79 2HB PRO 79 -11.242 7.717 -4.716 627 2HB PRO 79 1HB PRO 79 -10.206 9.137 -4.908 628 1HG PRO 79 2HG PRO 79 -11.110 7.155 -6.950 629 2HG PRO 79 1HG PRO 79 -10.906 8.909 -7.101 630 1HD PRO 79 2HD PRO 79 -9.078 6.991 -7.955 631 2HD PRO 79 1HD PRO 79 -8.713 8.703 -7.672 632 H GLY 80 H GLY 80 -7.636 5.241 -4.626 633 1HA GLY 80 2HA GLY 80 -8.992 3.377 -3.237 634 2HA GLY 80 1HA GLY 80 -9.747 3.262 -4.818 635 H SER 81 H SER 81 -9.010 1.123 -5.050 636 HA SER 81 HA SER 81 -6.153 0.621 -5.073 637 1HB SER 81 2HB SER 81 -8.516 -1.181 -5.650 638 2HB SER 81 1HB SER 81 -6.834 -1.714 -5.631 639 HG SER 81 HG SER 81 -6.758 -1.464 -3.488 640 H ARG 82 H ARG 82 -4.907 0.229 -6.848 641 HA ARG 82 HA ARG 82 -5.824 1.310 -9.344 642 1HB ARG 82 2HB ARG 82 -3.218 -0.073 -8.680 643 2HB ARG 82 1HB ARG 82 -3.546 0.869 -10.127 644 1HG ARG 82 2HG ARG 82 -3.649 2.886 -8.914 645 2HG ARG 82 1HG ARG 82 -3.732 2.038 -7.369 646 1HD ARG 82 2HD ARG 82 -1.367 1.838 -9.217 647 2HD ARG 82 1HD ARG 82 -1.500 3.077 -7.970 648 HE ARG 82 HE ARG 82 -1.367 1.379 -6.317 649 1HH1 ARG 82 1HH1 ARG 82 -0.902 0.219 -9.569 650 2HH1 ARG 82 2HH1 ARG 82 -0.140 -1.254 -9.072 651 1HH2 ARG 82 1HH2 ARG 82 -0.366 -0.560 -5.654 652 2HH2 ARG 82 2HH2 ARG 82 0.166 -1.697 -6.847 653 H SER 83 H SER 83 -4.854 -0.088 -11.352 654 HA SER 83 HA SER 83 -6.340 -2.618 -11.226 655 1HB SER 83 2HB SER 83 -6.620 -2.454 -13.602 656 2HB SER 83 1HB SER 83 -6.998 -0.870 -12.923 657 HG SER 83 HG SER 83 -4.472 -1.587 -13.997 658 H HIS 84 H HIS 84 -3.215 -1.443 -11.184 659 HA HIS 84 HA HIS 84 -1.878 -3.338 -12.811 660 1HB HIS 84 2HB HIS 84 -1.153 -1.205 -10.989 661 2HB HIS 84 1HB HIS 84 -0.097 -2.599 -10.784 662 HD2 HIS 84 2HD HIS 84 1.602 -3.154 -12.897 663 HE1 HIS 84 1HE HIS 84 0.550 0.285 -15.129 664 HE2 HIS 84 2HE HIS 84 2.081 -1.732 -15.014 665 H HIS 85 H HIS 85 -1.439 -5.408 -12.479 666 HA HIS 85 HA HIS 85 -1.247 -6.446 -9.757 667 1HB HIS 85 2HB HIS 85 -3.335 -7.177 -11.745 668 2HB HIS 85 1HB HIS 85 -2.636 -8.483 -10.794 669 HD2 HIS 85 2HD HIS 85 -2.955 -8.140 -7.948 670 HE1 HIS 85 1HE HIS 85 -6.255 -5.543 -8.464 671 HE2 HIS 85 2HE HIS 85 -5.064 -7.099 -6.855 672 H HIS 86 H HIS 86 -1.565 -8.092 -12.881 673 HA HIS 86 HA HIS 86 -0.164 -9.417 -14.079 674 1HB HIS 86 2HB HIS 86 1.415 -7.242 -13.269 675 2HB HIS 86 1HB HIS 86 2.389 -8.673 -12.953 676 HD2 HIS 86 2HD HIS 86 3.313 -6.709 -15.328 677 HE1 HIS 86 1HE HIS 86 1.713 -9.692 -17.867 678 HE2 HIS 86 2HE HIS 86 3.380 -7.790 -17.685 679 H HIS 87 H HIS 87 1.846 -9.150 -11.163 680 HA HIS 87 HA HIS 87 2.545 -10.677 -9.633 681 1HB HIS 87 2HB HIS 87 -0.157 -11.308 -10.045 682 2HB HIS 87 1HB HIS 87 0.695 -12.845 -10.140 683 HD2 HIS 87 2HD HIS 87 2.851 -12.459 -7.768 684 HE1 HIS 87 1HE HIS 87 -0.544 -11.605 -5.391 685 HE2 HIS 87 2HE HIS 87 1.853 -12.430 -5.374 686 H HIS 88 H HIS 88 3.059 -10.835 -12.665 687 HA HIS 88 HA HIS 88 4.308 -13.503 -12.613 688 1HB HIS 88 2HB HIS 88 2.599 -12.240 -14.637 689 2HB HIS 88 1HB HIS 88 4.095 -12.902 -15.289 690 HD2 HIS 88 2HD HIS 88 4.330 -15.661 -13.692 691 HE1 HIS 88 1HE HIS 88 0.360 -16.330 -14.996 692 HE2 HIS 88 2HE HIS 88 2.509 -17.431 -14.224 693 H HIS 89 H HIS 89 5.963 -13.427 -14.695 694 HA HIS 89 HA HIS 89 7.843 -11.304 -13.958 695 1HB HIS 89 2HB HIS 89 8.247 -13.979 -14.152 696 2HB HIS 89 1HB HIS 89 8.735 -13.467 -15.764 697 HD2 HIS 89 2HD HIS 89 11.373 -14.164 -15.014 698 HE1 HIS 89 1HE HIS 89 11.800 -10.822 -12.452 699 HE2 HIS 89 2HE HIS 89 12.980 -12.810 -13.494 Start of MODEL 11 1 1H MET 1 1HT MET 1 -9.898 -23.831 15.649 2 2H MET 1 2HT MET 1 -9.444 -24.546 17.112 3 3H MET 1 3HT MET 1 -10.019 -22.956 17.092 4 HA MET 1 HA MET 1 -11.651 -25.258 16.214 5 1HB MET 1 2HB MET 1 -12.654 -25.270 18.429 6 2HB MET 1 1HB MET 1 -10.921 -25.530 18.563 7 1HG MET 1 2HG MET 1 -11.162 -22.800 18.779 8 2HG MET 1 1HG MET 1 -12.581 -23.404 19.634 9 1HE MET 1 1HE MET 1 -12.778 -23.975 21.584 10 2HE MET 1 2HE MET 1 -11.610 -23.330 22.738 11 3HE MET 1 3HE MET 1 -11.749 -25.073 22.506 12 H ARG 2 H ARG 2 -11.109 -22.224 15.603 13 HA ARG 2 HA ARG 2 -13.837 -21.229 16.000 14 1HB ARG 2 2HB ARG 2 -11.256 -19.872 15.235 15 2HB ARG 2 1HB ARG 2 -12.814 -19.062 15.131 16 1HG ARG 2 2HG ARG 2 -12.327 -20.337 17.712 17 2HG ARG 2 1HG ARG 2 -11.170 -19.067 17.309 18 1HD ARG 2 2HD ARG 2 -13.467 -17.858 16.593 19 2HD ARG 2 1HD ARG 2 -14.058 -18.896 17.890 20 HE ARG 2 HE ARG 2 -11.953 -16.856 18.194 21 1HH1 ARG 2 1HH1 ARG 2 -14.502 -18.842 19.500 22 2HH1 ARG 2 2HH1 ARG 2 -14.448 -18.106 21.068 23 1HH2 ARG 2 1HH2 ARG 2 -11.875 -15.881 20.253 24 2HH2 ARG 2 2HH2 ARG 2 -12.955 -16.424 21.495 25 H GLY 3 H GLY 3 -12.498 -23.135 13.846 26 1HA GLY 3 2HA GLY 3 -13.624 -23.693 11.816 27 2HA GLY 3 1HA GLY 3 -14.082 -22.006 11.641 28 H SER 4 H SER 4 -10.862 -22.397 12.603 29 HA SER 4 HA SER 4 -9.890 -22.345 9.833 30 1HB SER 4 2HB SER 4 -9.744 -20.181 11.814 31 2HB SER 4 1HB SER 4 -8.191 -20.581 11.079 32 HG SER 4 HG SER 4 -10.568 -20.055 9.620 33 H ASN 5 H ASN 5 -8.274 -23.725 9.526 34 HA ASN 5 HA ASN 5 -7.192 -25.243 11.674 35 1HB ASN 5 2HB ASN 5 -5.545 -25.583 9.399 36 2HB ASN 5 1HB ASN 5 -6.814 -26.654 9.982 37 1HD2 ASN 5 1HD2 ASN 5 -8.991 -26.255 9.214 38 2HD2 ASN 5 2HD2 ASN 5 -9.220 -25.600 7.632 39 H ALA 6 H ALA 6 -5.248 -23.552 9.231 40 HA ALA 6 HA ALA 6 -3.017 -23.255 10.915 41 1HB ALA 6 1HB ALA 6 -3.095 -23.190 8.372 42 2HB ALA 6 2HB ALA 6 -2.020 -22.040 9.168 43 3HB ALA 6 3HB ALA 6 -3.578 -21.503 8.541 44 HA PRO 7 HA PRO 7 -4.132 -19.700 13.319 45 1HB PRO 7 2HB PRO 7 -1.682 -18.885 14.107 46 2HB PRO 7 1HB PRO 7 -2.429 -20.361 14.731 47 1HG PRO 7 2HG PRO 7 -0.382 -20.046 12.565 48 2HG PRO 7 1HG PRO 7 -0.428 -21.218 13.897 49 1HD PRO 7 2HD PRO 7 -1.216 -21.836 11.378 50 2HD PRO 7 1HD PRO 7 -1.942 -22.577 12.818 51 H GLN 8 H GLN 8 -1.586 -19.370 10.889 52 HA GLN 8 HA GLN 8 -2.740 -16.936 9.893 53 1HB GLN 8 2HB GLN 8 -1.284 -16.256 11.880 54 2HB GLN 8 1HB GLN 8 0.094 -16.761 10.911 55 1HG GLN 8 2HG GLN 8 -0.208 -14.377 10.748 56 2HG GLN 8 1HG GLN 8 -0.534 -15.133 9.189 57 1HE2 GLN 8 1HE2 GLN 8 -2.504 -14.917 8.279 58 2HE2 GLN 8 2HE2 GLN 8 -3.805 -14.020 8.976 59 HA PRO 9 HA PRO 9 -0.423 -19.660 6.886 60 1HB PRO 9 2HB PRO 9 -2.459 -19.908 5.105 61 2HB PRO 9 1HB PRO 9 -2.246 -20.992 6.485 62 1HG PRO 9 2HG PRO 9 -4.078 -18.645 6.181 63 2HG PRO 9 1HG PRO 9 -4.400 -20.232 6.906 64 1HD PRO 9 2HD PRO 9 -3.865 -18.026 8.387 65 2HD PRO 9 1HD PRO 9 -3.411 -19.661 8.904 66 H SER 10 H SER 10 -2.870 -17.987 5.028 67 HA SER 10 HA SER 10 -2.774 -16.357 3.453 68 1HB SER 10 2HB SER 10 -0.525 -15.379 5.222 69 2HB SER 10 1HB SER 10 -1.139 -14.476 3.838 70 HG SER 10 HG SER 10 -2.552 -15.230 6.178 71 H HIS 11 H HIS 11 -1.284 -15.340 1.756 72 HA HIS 11 HA HIS 11 0.302 -17.482 0.628 73 1HB HIS 11 2HB HIS 11 -0.687 -14.831 -0.382 74 2HB HIS 11 1HB HIS 11 0.545 -15.723 -1.269 75 HD2 HIS 11 2HD HIS 11 -2.630 -15.218 -2.287 76 HE1 HIS 11 1HE HIS 11 -2.737 -19.431 -1.898 77 HE2 HIS 11 2HE HIS 11 -3.967 -17.390 -2.763 78 H ILE 12 H ILE 12 0.825 -14.059 1.451 79 HA ILE 12 HA ILE 12 3.721 -14.502 1.329 80 HB ILE 12 HB ILE 12 2.966 -12.593 0.062 81 1HG1 ILE 12 2HG1 ILE 12 4.033 -10.809 1.943 82 2HG1 ILE 12 1HG1 ILE 12 4.755 -12.368 2.335 83 1HG2 ILE 12 1HG2 ILE 12 1.191 -12.245 2.279 84 2HG2 ILE 12 2HG2 ILE 12 1.154 -11.482 0.689 85 3HG2 ILE 12 3HG2 ILE 12 2.089 -10.755 1.995 86 1HD1 ILE 12 1HD1 ILE 12 4.909 -10.848 -0.244 87 2HD1 ILE 12 2HD1 ILE 12 5.360 -12.547 -0.111 88 3HD1 ILE 12 3HD1 ILE 12 6.222 -11.329 0.829 89 H SER 13 H SER 13 5.054 -14.202 3.073 90 HA SER 13 HA SER 13 4.110 -14.732 5.632 91 1HB SER 13 2HB SER 13 6.667 -13.993 4.427 92 2HB SER 13 1HB SER 13 6.486 -13.365 6.066 93 HG SER 13 HG SER 13 7.383 -15.527 5.912 94 H LYS 14 H LYS 14 5.084 -11.627 4.204 95 HA LYS 14 HA LYS 14 3.109 -10.190 5.658 96 1HB LYS 14 2HB LYS 14 4.679 -8.786 6.988 97 2HB LYS 14 1HB LYS 14 4.609 -10.459 7.525 98 1HG LYS 14 2HG LYS 14 6.672 -10.803 6.025 99 2HG LYS 14 1HG LYS 14 6.802 -9.043 6.064 100 1HD LYS 14 2HD LYS 14 6.412 -10.391 8.666 101 2HD LYS 14 1HD LYS 14 7.966 -10.650 7.872 102 1HE LYS 14 2HE LYS 14 8.011 -8.726 9.403 103 2HE LYS 14 1HE LYS 14 8.328 -8.260 7.731 104 1HZ LYS 14 1HZ LYS 14 6.174 -7.368 7.518 105 2HZ LYS 14 2HZ LYS 14 6.750 -6.800 9.004 106 3HZ LYS 14 3HZ LYS 14 5.638 -8.073 8.960 107 H TYR 15 H TYR 15 2.810 -8.135 4.869 108 HA TYR 15 HA TYR 15 4.589 -7.327 2.662 109 1HB TYR 15 2HB TYR 15 1.751 -7.746 2.728 110 2HB TYR 15 1HB TYR 15 2.070 -6.043 2.414 111 HD1 TYR 15 1HD TYR 15 4.029 -5.672 0.605 112 HD2 TYR 15 2HD TYR 15 1.562 -9.124 0.899 113 HE1 TYR 15 1HE TYR 15 4.481 -6.188 -1.757 114 HE2 TYR 15 2HE TYR 15 2.007 -9.652 -1.460 115 HH TYR 15 HH TYR 15 3.702 -7.433 -3.551 116 H ILE 16 H ILE 16 5.397 -5.277 2.696 117 HA ILE 16 HA ILE 16 4.512 -3.569 4.927 118 HB ILE 16 HB ILE 16 7.242 -3.909 3.714 119 1HG1 ILE 16 2HG1 ILE 16 6.634 -5.375 5.588 120 2HG1 ILE 16 1HG1 ILE 16 7.901 -4.246 6.055 121 1HG2 ILE 16 1HG2 ILE 16 7.373 -1.923 5.707 122 2HG2 ILE 16 2HG2 ILE 16 6.070 -1.450 4.616 123 3HG2 ILE 16 3HG2 ILE 16 7.690 -1.748 3.982 124 1HD1 ILE 16 1HD1 ILE 16 6.599 -3.994 7.869 125 2HD1 ILE 16 2HD1 ILE 16 5.136 -4.501 7.023 126 3HD1 ILE 16 3HD1 ILE 16 5.741 -2.855 6.830 127 H LEU 17 H LEU 17 3.909 -1.548 4.543 128 HA LEU 17 HA LEU 17 4.083 -0.573 1.772 129 1HB LEU 17 2HB LEU 17 1.806 -1.108 3.119 130 2HB LEU 17 1HB LEU 17 2.063 0.556 3.607 131 HG LEU 17 HG LEU 17 2.406 0.341 0.764 132 1HD1 LEU 17 1HD1 LEU 17 0.048 -1.054 1.942 133 2HD1 LEU 17 2HD1 LEU 17 0.996 -1.451 0.508 134 3HD1 LEU 17 3HD1 LEU 17 -0.157 -0.118 0.461 135 1HD2 LEU 17 1HD2 LEU 17 0.295 1.703 2.433 136 2HD2 LEU 17 2HD2 LEU 17 0.690 2.059 0.752 137 3HD2 LEU 17 3HD2 LEU 17 1.870 2.381 2.022 138 H ARG 18 H ARG 18 5.529 1.009 1.598 139 HA ARG 18 HA ARG 18 5.872 2.827 3.885 140 1HB ARG 18 2HB ARG 18 7.842 1.892 1.807 141 2HB ARG 18 1HB ARG 18 8.146 3.281 2.839 142 1HG ARG 18 2HG ARG 18 8.577 2.015 4.646 143 2HG ARG 18 1HG ARG 18 7.341 0.822 4.238 144 1HD ARG 18 2HD ARG 18 8.975 -0.529 3.569 145 2HD ARG 18 1HD ARG 18 9.268 0.590 2.238 146 HE ARG 18 HE ARG 18 10.663 1.665 4.303 147 1HH1 ARG 18 1HH1 ARG 18 10.586 -1.481 2.810 148 2HH1 ARG 18 2HH1 ARG 18 12.249 -1.826 3.151 149 1HH2 ARG 18 1HH2 ARG 18 12.856 1.220 4.756 150 2HH2 ARG 18 2HH2 ARG 18 13.537 -0.292 4.257 151 H TRP 19 H TRP 19 5.417 4.917 3.599 152 HA TRP 19 HA TRP 19 5.511 6.029 0.908 153 1HB TRP 19 2HB TRP 19 3.294 6.783 0.822 154 2HB TRP 19 1HB TRP 19 3.167 5.129 1.405 155 HD1 TRP 19 HD TRP 19 2.701 8.754 2.544 156 HE1 TRP 19 1HE TRP 19 1.324 8.757 4.721 157 HE3 TRP 19 3HE TRP 19 2.603 3.721 3.458 158 HZ2 TRP 19 2HZ TRP 19 0.328 6.876 6.576 159 HZ3 TRP 19 3HZ TRP 19 1.418 2.908 5.453 160 HH2 TRP 19 HH TRP 19 0.304 4.454 6.979 161 H ARG 20 H ARG 20 5.491 8.305 0.804 162 HA ARG 20 HA ARG 20 5.613 9.901 3.186 163 1HB ARG 20 2HB ARG 20 7.922 10.655 2.877 164 2HB ARG 20 1HB ARG 20 7.869 8.925 3.184 165 1HG ARG 20 2HG ARG 20 9.007 8.551 1.328 166 2HG ARG 20 1HG ARG 20 7.737 9.323 0.379 167 1HD ARG 20 2HD ARG 20 9.216 10.901 -0.134 168 2HD ARG 20 1HD ARG 20 9.114 11.433 1.544 169 HE ARG 20 HE ARG 20 11.120 9.517 0.541 170 1HH1 ARG 20 1HH1 ARG 20 10.155 12.124 2.645 171 2HH1 ARG 20 2HH1 ARG 20 11.711 12.267 3.391 172 1HH2 ARG 20 1HH2 ARG 20 13.169 9.701 1.514 173 2HH2 ARG 20 2HH2 ARG 20 13.426 10.890 2.748 174 HA PRO 21 HA PRO 21 4.189 12.993 0.378 175 1HB PRO 21 2HB PRO 21 6.033 14.884 1.755 176 2HB PRO 21 1HB PRO 21 4.290 15.005 1.487 177 1HG PRO 21 2HG PRO 21 5.191 14.399 3.895 178 2HG PRO 21 1HG PRO 21 3.793 13.531 3.225 179 1HD PRO 21 2HD PRO 21 6.656 12.645 3.396 180 2HD PRO 21 1HD PRO 21 5.174 11.736 3.771 181 H LYS 22 H LYS 22 4.810 13.019 -1.665 182 HA LYS 22 HA LYS 22 7.443 12.757 -2.579 183 1HB LYS 22 2HB LYS 22 4.976 12.578 -3.717 184 2HB LYS 22 1HB LYS 22 5.559 14.087 -4.409 185 1HG LYS 22 2HG LYS 22 7.218 13.069 -5.598 186 2HG LYS 22 1HG LYS 22 7.369 11.734 -4.454 187 1HD LYS 22 2HD LYS 22 6.156 10.504 -5.858 188 2HD LYS 22 1HD LYS 22 4.777 11.533 -5.466 189 1HE LYS 22 2HE LYS 22 4.872 12.628 -7.432 190 2HE LYS 22 1HE LYS 22 6.635 12.642 -7.455 191 1HZ LYS 22 1HZ LYS 22 5.881 11.294 -9.243 192 2HZ LYS 22 2HZ LYS 22 4.852 10.405 -8.237 193 3HZ LYS 22 3HZ LYS 22 6.529 10.253 -8.076 194 H ASN 23 H ASN 23 5.654 15.552 -1.615 195 HA ASN 23 HA ASN 23 7.596 17.350 -2.872 196 1HB ASN 23 2HB ASN 23 4.885 17.750 -1.642 197 2HB ASN 23 1HB ASN 23 5.975 19.116 -1.863 198 1HD2 ASN 23 1HD2 ASN 23 4.744 16.330 -3.682 199 2HD2 ASN 23 2HD2 ASN 23 4.497 17.189 -5.160 200 H SER 24 H SER 24 6.404 16.326 0.275 201 HA SER 24 HA SER 24 8.406 18.032 1.583 202 1HB SER 24 2HB SER 24 5.801 16.859 2.446 203 2HB SER 24 1HB SER 24 7.040 17.119 3.673 204 HG SER 24 HG SER 24 6.649 19.176 3.578 205 H VAL 25 H VAL 25 10.285 17.078 1.973 206 HA VAL 25 HA VAL 25 10.391 14.181 2.357 207 HB VAL 25 HB VAL 25 12.931 14.648 2.341 208 1HG1 VAL 25 1HG1 VAL 25 12.906 14.821 -0.174 209 2HG1 VAL 25 2HG1 VAL 25 11.155 14.996 -0.062 210 3HG1 VAL 25 3HG1 VAL 25 11.932 13.521 0.514 211 1HG2 VAL 25 1HG2 VAL 25 12.268 17.221 2.527 212 2HG2 VAL 25 2HG2 VAL 25 12.309 17.081 0.770 213 3HG2 VAL 25 3HG2 VAL 25 13.739 16.678 1.720 214 H GLY 26 H GLY 26 10.699 13.259 4.281 215 1HA GLY 26 2HA GLY 26 12.155 14.559 6.392 216 2HA GLY 26 1HA GLY 26 10.427 14.488 6.699 217 H ARG 27 H ARG 27 9.583 12.121 5.993 218 HA ARG 27 HA ARG 27 11.319 9.952 6.599 219 1HB ARG 27 2HB ARG 27 10.609 11.263 8.850 220 2HB ARG 27 1HB ARG 27 9.249 10.157 8.710 221 1HG ARG 27 2HG ARG 27 10.462 8.432 9.408 222 2HG ARG 27 1HG ARG 27 11.782 8.813 8.300 223 1HD ARG 27 2HD ARG 27 12.952 9.923 9.873 224 2HD ARG 27 1HD ARG 27 11.507 10.642 10.583 225 HE ARG 27 HE ARG 27 11.464 7.951 11.236 226 1HH1 ARG 27 1HH1 ARG 27 13.513 10.709 11.823 227 2HH1 ARG 27 2HH1 ARG 27 14.067 10.132 13.359 228 1HH2 ARG 27 1HH2 ARG 27 12.188 7.185 13.258 229 2HH2 ARG 27 2HH2 ARG 27 13.315 8.129 14.174 230 H TRP 28 H TRP 28 10.294 7.915 6.374 231 HA TRP 28 HA TRP 28 7.866 8.040 4.785 232 1HB TRP 28 2HB TRP 28 9.658 5.695 5.460 233 2HB TRP 28 1HB TRP 28 8.319 5.658 4.319 234 HD1 TRP 28 HD TRP 28 11.603 7.706 4.738 235 HE1 TRP 28 1HE TRP 28 12.605 8.066 2.396 236 HE3 TRP 28 3HE TRP 28 7.992 5.399 1.947 237 HZ2 TRP 28 2HZ TRP 28 11.952 7.453 -0.280 238 HZ3 TRP 28 3HZ TRP 28 8.259 5.329 -0.498 239 HH2 TRP 28 HH TRP 28 10.198 6.337 -1.587 240 H LYS 29 H LYS 29 6.682 5.636 5.220 241 HA LYS 29 HA LYS 29 6.055 5.438 8.067 242 1HB LYS 29 2HB LYS 29 4.101 6.186 5.903 243 2HB LYS 29 1HB LYS 29 3.565 5.356 7.357 244 1HG LYS 29 2HG LYS 29 4.934 7.322 8.510 245 2HG LYS 29 1HG LYS 29 4.522 8.131 6.996 246 1HD LYS 29 2HD LYS 29 2.345 8.295 7.537 247 2HD LYS 29 1HD LYS 29 2.301 6.678 8.240 248 1HE LYS 29 2HE LYS 29 2.746 7.428 10.323 249 2HE LYS 29 1HE LYS 29 3.840 8.687 9.748 250 1HZ LYS 29 1HZ LYS 29 1.864 9.954 9.037 251 2HZ LYS 29 2HZ LYS 29 1.910 9.697 10.708 252 3HZ LYS 29 3HZ LYS 29 0.871 8.778 9.741 253 H GLU 30 H GLU 30 5.097 3.392 8.624 254 HA GLU 30 HA GLU 30 5.360 1.400 6.467 255 1HB GLU 30 2HB GLU 30 5.949 1.010 9.403 256 2HB GLU 30 1HB GLU 30 6.123 -0.204 8.144 257 1HG GLU 30 2HG GLU 30 7.701 1.633 7.089 258 2HG GLU 30 1HG GLU 30 7.827 2.139 8.773 259 H ALA 31 H ALA 31 3.823 -0.070 6.171 260 HA ALA 31 HA ALA 31 1.695 -0.407 8.149 261 1HB ALA 31 1HB ALA 31 0.120 0.610 6.948 262 2HB ALA 31 2HB ALA 31 0.516 -0.370 5.536 263 3HB ALA 31 3HB ALA 31 1.368 1.147 5.822 264 H THR 32 H THR 32 1.787 -2.534 8.558 265 HA THR 32 HA THR 32 2.630 -4.378 6.478 266 HB THR 32 HB THR 32 1.863 -5.175 9.273 267 HG1 THR 32 1HG THR 32 3.545 -3.373 8.997 268 1HG2 THR 32 1HG2 THR 32 3.574 -6.320 7.083 269 2HG2 THR 32 2HG2 THR 32 2.229 -7.071 7.941 270 3HG2 THR 32 3HG2 THR 32 3.770 -6.825 8.761 271 H ILE 33 H ILE 33 1.438 -5.973 5.587 272 HA ILE 33 HA ILE 33 -1.334 -6.332 6.446 273 HB ILE 33 HB ILE 33 -1.421 -6.532 3.647 274 1HG1 ILE 33 2HG1 ILE 33 -0.459 -3.769 4.303 275 2HG1 ILE 33 1HG1 ILE 33 0.711 -5.030 3.926 276 1HG2 ILE 33 1HG2 ILE 33 -3.382 -5.858 4.545 277 2HG2 ILE 33 2HG2 ILE 33 -2.761 -4.267 4.109 278 3HG2 ILE 33 3HG2 ILE 33 -2.606 -4.849 5.765 279 1HD1 ILE 33 1HD1 ILE 33 -1.534 -4.750 2.042 280 2HD1 ILE 33 2HD1 ILE 33 0.177 -5.052 1.742 281 3HD1 ILE 33 3HD1 ILE 33 -0.382 -3.416 2.092 282 HA PRO 34 HA PRO 34 0.215 -10.502 5.836 283 1HB PRO 34 2HB PRO 34 -1.829 -11.791 7.020 284 2HB PRO 34 1HB PRO 34 -0.610 -10.913 7.952 285 1HG PRO 34 2HG PRO 34 -3.373 -10.066 7.176 286 2HG PRO 34 1HG PRO 34 -2.534 -9.865 8.725 287 1HD PRO 34 2HD PRO 34 -2.760 -7.882 6.855 288 2HD PRO 34 1HD PRO 34 -1.424 -7.988 8.019 289 H GLY 35 H GLY 35 -0.050 -10.330 3.518 290 1HA GLY 35 2HA GLY 35 -0.824 -11.364 1.593 291 2HA GLY 35 1HA GLY 35 -2.112 -12.092 2.542 292 H HIS 36 H HIS 36 -4.104 -11.153 2.589 293 HA HIS 36 HA HIS 36 -4.572 -8.465 1.765 294 1HB HIS 36 2HB HIS 36 -4.224 -10.111 -0.363 295 2HB HIS 36 1HB HIS 36 -5.957 -10.292 -0.103 296 HD2 HIS 36 2HD HIS 36 -5.837 -6.888 0.872 297 HE1 HIS 36 1HE HIS 36 -5.505 -6.626 -3.340 298 HE2 HIS 36 2HE HIS 36 -5.837 -5.318 -1.194 299 H LEU 37 H LEU 37 -5.767 -8.278 3.617 300 HA LEU 37 HA LEU 37 -7.906 -10.132 4.200 301 1HB LEU 37 2HB LEU 37 -7.937 -7.643 5.709 302 2HB LEU 37 1HB LEU 37 -7.836 -9.297 6.278 303 HG LEU 37 HG LEU 37 -5.327 -9.039 5.409 304 1HD1 LEU 37 1HD1 LEU 37 -4.650 -6.680 6.236 305 2HD1 LEU 37 2HD1 LEU 37 -6.321 -6.258 5.864 306 3HD1 LEU 37 3HD1 LEU 37 -5.264 -6.875 4.595 307 1HD2 LEU 37 1HD2 LEU 37 -6.605 -8.336 8.010 308 2HD2 LEU 37 2HD2 LEU 37 -4.868 -8.110 7.804 309 3HD2 LEU 37 3HD2 LEU 37 -5.580 -9.710 7.593 310 H ASN 38 H ASN 38 -7.530 -6.923 2.856 311 HA ASN 38 HA ASN 38 -9.950 -6.945 1.466 312 1HB ASN 38 2HB ASN 38 -11.395 -5.537 2.709 313 2HB ASN 38 1HB ASN 38 -10.808 -6.729 3.865 314 1HD2 ASN 38 1HD2 ASN 38 -8.295 -5.723 4.396 315 2HD2 ASN 38 2HD2 ASN 38 -8.451 -4.210 5.215 316 H SER 39 H SER 39 -10.565 -4.182 1.508 317 HA SER 39 HA SER 39 -8.281 -3.175 0.031 318 1HB SER 39 2HB SER 39 -9.875 -1.233 -0.431 319 2HB SER 39 1HB SER 39 -10.361 -2.807 -1.057 320 HG SER 39 HG SER 39 -11.219 -2.042 1.497 321 H TYR 40 H TYR 40 -6.696 -2.341 1.236 322 HA TYR 40 HA TYR 40 -7.295 -0.863 3.666 323 1HB TYR 40 2HB TYR 40 -5.363 -2.576 3.285 324 2HB TYR 40 1HB TYR 40 -4.539 -1.214 2.534 325 HD1 TYR 40 1HD TYR 40 -3.776 0.665 3.859 326 HD2 TYR 40 2HD TYR 40 -5.819 -2.595 5.678 327 HE1 TYR 40 1HE TYR 40 -3.045 1.449 6.073 328 HE2 TYR 40 2HE TYR 40 -5.095 -1.818 7.896 329 HH TYR 40 HH TYR 40 -3.623 -0.437 8.974 330 H THR 41 H THR 41 -7.779 1.223 3.525 331 HA THR 41 HA THR 41 -6.528 2.826 1.397 332 HB THR 41 HB THR 41 -8.898 3.768 2.972 333 HG1 THR 41 1HG THR 41 -8.817 1.730 1.059 334 1HG2 THR 41 1HG2 THR 41 -9.313 4.631 0.497 335 2HG2 THR 41 2HG2 THR 41 -7.566 4.415 0.394 336 3HG2 THR 41 3HG2 THR 41 -8.251 5.491 1.612 337 H ILE 42 H ILE 42 -5.372 4.622 1.866 338 HA ILE 42 HA ILE 42 -4.861 5.169 4.711 339 HB ILE 42 HB ILE 42 -3.172 5.721 2.269 340 1HG1 ILE 42 2HG1 ILE 42 -2.231 4.155 4.620 341 2HG1 ILE 42 1HG1 ILE 42 -3.396 3.387 3.546 342 1HG2 ILE 42 1HG2 ILE 42 -2.657 7.553 3.570 343 2HG2 ILE 42 2HG2 ILE 42 -1.476 6.372 4.137 344 3HG2 ILE 42 3HG2 ILE 42 -2.930 6.688 5.083 345 1HD1 ILE 42 1HD1 ILE 42 -0.924 2.987 3.102 346 2HD1 ILE 42 2HD1 ILE 42 -0.887 4.645 2.502 347 3HD1 ILE 42 3HD1 ILE 42 -1.931 3.452 1.731 348 H LYS 43 H LYS 43 -5.823 6.915 5.508 349 HA LYS 43 HA LYS 43 -6.350 9.184 3.701 350 1HB LYS 43 2HB LYS 43 -8.277 7.806 4.873 351 2HB LYS 43 1HB LYS 43 -7.871 8.824 6.247 352 1HG LYS 43 2HG LYS 43 -8.497 10.779 5.137 353 2HG LYS 43 1HG LYS 43 -8.442 10.002 3.553 354 1HD LYS 43 2HD LYS 43 -10.308 8.475 4.673 355 2HD LYS 43 1HD LYS 43 -10.553 9.931 5.639 356 1HE LYS 43 2HE LYS 43 -10.685 9.684 2.639 357 2HE LYS 43 1HE LYS 43 -12.021 10.011 3.742 358 1HZ LYS 43 1HZ LYS 43 -11.578 12.123 3.146 359 2HZ LYS 43 2HZ LYS 43 -9.969 11.804 2.732 360 3HZ LYS 43 3HZ LYS 43 -10.397 12.015 4.353 361 H GLY 44 H GLY 44 -5.441 11.087 4.174 362 1HA GLY 44 2HA GLY 44 -5.102 12.418 6.467 363 2HA GLY 44 1HA GLY 44 -3.776 11.270 6.550 364 H LEU 45 H LEU 45 -4.439 12.053 3.352 365 HA LEU 45 HA LEU 45 -2.008 13.556 3.141 366 1HB LEU 45 2HB LEU 45 -3.986 13.029 0.931 367 2HB LEU 45 1HB LEU 45 -2.277 13.345 0.802 368 HG LEU 45 HG LEU 45 -2.392 11.078 0.368 369 1HD1 LEU 45 1HD1 LEU 45 -2.099 10.625 3.262 370 2HD1 LEU 45 2HD1 LEU 45 -1.047 11.850 2.553 371 3HD1 LEU 45 3HD1 LEU 45 -1.028 10.201 1.926 372 1HD2 LEU 45 1HD2 LEU 45 -4.679 11.139 2.236 373 2HD2 LEU 45 2HD2 LEU 45 -3.749 9.643 2.170 374 3HD2 LEU 45 3HD2 LEU 45 -4.484 10.290 0.704 375 H LYS 46 H LYS 46 -2.571 15.332 1.068 376 HA LYS 46 HA LYS 46 -4.511 17.189 2.276 377 1HB LYS 46 2HB LYS 46 -1.928 18.167 1.101 378 2HB LYS 46 1HB LYS 46 -3.028 19.001 2.187 379 1HG LYS 46 2HG LYS 46 -2.370 17.517 4.006 380 2HG LYS 46 1HG LYS 46 -1.275 16.664 2.915 381 1HD LYS 46 2HD LYS 46 -0.499 19.260 2.577 382 2HD LYS 46 1HD LYS 46 -0.953 19.237 4.282 383 1HE LYS 46 2HE LYS 46 1.180 18.530 4.539 384 2HE LYS 46 1HE LYS 46 0.463 16.962 4.165 385 1HZ LYS 46 1HZ LYS 46 1.239 18.480 1.842 386 2HZ LYS 46 2HZ LYS 46 1.532 16.858 2.222 387 3HZ LYS 46 3HZ LYS 46 2.536 18.068 2.845 388 HA PRO 47 HA PRO 47 -6.191 17.593 -1.793 389 1HB PRO 47 2HB PRO 47 -6.742 20.409 -1.048 390 2HB PRO 47 1HB PRO 47 -7.862 19.142 -1.559 391 1HG PRO 47 2HG PRO 47 -7.761 19.948 0.984 392 2HG PRO 47 1HG PRO 47 -8.025 18.244 0.569 393 1HD PRO 47 2HD PRO 47 -5.533 19.600 1.524 394 2HD PRO 47 1HD PRO 47 -6.179 18.000 1.945 395 H GLY 48 H GLY 48 -4.272 17.516 -3.021 396 1HA GLY 48 2HA GLY 48 -3.460 18.967 -4.888 397 2HA GLY 48 1HA GLY 48 -3.104 20.160 -3.647 398 H VAL 49 H VAL 49 -2.199 17.963 -1.810 399 HA VAL 49 HA VAL 49 0.528 17.816 -2.844 400 HB VAL 49 HB VAL 49 -0.381 16.880 -0.128 401 1HG1 VAL 49 1HG1 VAL 49 1.785 16.576 0.315 402 2HG1 VAL 49 2HG1 VAL 49 2.236 18.123 -0.403 403 3HG1 VAL 49 3HG1 VAL 49 2.041 16.700 -1.426 404 1HG2 VAL 49 1HG2 VAL 49 0.132 19.070 0.760 405 2HG2 VAL 49 2HG2 VAL 49 -1.126 19.205 -0.469 406 3HG2 VAL 49 3HG2 VAL 49 0.533 19.661 -0.852 407 H VAL 50 H VAL 50 1.402 16.005 -3.634 408 HA VAL 50 HA VAL 50 -0.192 13.562 -3.549 409 HB VAL 50 HB VAL 50 1.651 14.721 -5.465 410 1HG1 VAL 50 1HG1 VAL 50 3.275 13.131 -4.687 411 2HG1 VAL 50 2HG1 VAL 50 2.627 12.562 -6.226 412 3HG1 VAL 50 3HG1 VAL 50 2.079 11.834 -4.715 413 1HG2 VAL 50 1HG2 VAL 50 -0.581 14.185 -6.069 414 2HG2 VAL 50 2HG2 VAL 50 -0.399 12.524 -5.500 415 3HG2 VAL 50 3HG2 VAL 50 0.468 13.064 -6.940 416 H TYR 51 H TYR 51 0.592 11.586 -2.839 417 HA TYR 51 HA TYR 51 3.014 11.758 -1.162 418 1HB TYR 51 2HB TYR 51 0.372 10.423 -0.682 419 2HB TYR 51 1HB TYR 51 1.825 9.804 0.096 420 HD1 TYR 51 1HD TYR 51 0.150 13.103 -0.471 421 HD2 TYR 51 2HD TYR 51 2.261 10.575 2.223 422 HE1 TYR 51 1HE TYR 51 -0.086 14.798 1.294 423 HE2 TYR 51 2HE TYR 51 2.029 12.263 3.996 424 HH TYR 51 HH TYR 51 0.062 15.129 3.560 425 H GLU 52 H GLU 52 4.633 10.502 -1.765 426 HA GLU 52 HA GLU 52 4.204 8.492 -3.812 427 1HB GLU 52 2HB GLU 52 6.576 8.390 -4.020 428 2HB GLU 52 1HB GLU 52 6.156 10.084 -3.828 429 1HG GLU 52 2HG GLU 52 7.291 10.276 -1.914 430 2HG GLU 52 1HG GLU 52 6.747 8.708 -1.318 431 H GLY 53 H GLY 53 4.705 6.268 -3.605 432 1HA GLY 53 2HA GLY 53 5.405 5.242 -0.984 433 2HA GLY 53 1HA GLY 53 3.760 4.904 -1.490 434 H GLN 54 H GLN 54 6.007 3.111 -0.932 435 HA GLN 54 HA GLN 54 5.957 1.611 -3.450 436 1HB GLN 54 2HB GLN 54 8.163 2.349 -3.512 437 2HB GLN 54 1HB GLN 54 8.328 2.329 -1.762 438 1HG GLN 54 2HG GLN 54 8.245 -0.167 -1.870 439 2HG GLN 54 1HG GLN 54 8.319 -0.030 -3.625 440 1HE2 GLN 54 1HE2 GLN 54 10.072 2.495 -2.849 441 2HE2 GLN 54 2HE2 GLN 54 11.640 1.792 -2.682 442 H LEU 55 H LEU 55 5.700 -0.609 -3.211 443 HA LEU 55 HA LEU 55 5.088 -1.488 -0.471 444 1HB LEU 55 2HB LEU 55 3.748 -1.794 -2.991 445 2HB LEU 55 1HB LEU 55 4.137 -3.374 -2.340 446 HG LEU 55 HG LEU 55 2.644 -1.255 -0.796 447 1HD1 LEU 55 1HD1 LEU 55 0.969 -3.419 -1.439 448 2HD1 LEU 55 2HD1 LEU 55 1.746 -2.918 -2.941 449 3HD1 LEU 55 3HD1 LEU 55 0.839 -1.746 -1.984 450 1HD2 LEU 55 1HD2 LEU 55 2.892 -2.618 0.935 451 2HD2 LEU 55 2HD2 LEU 55 3.858 -3.711 -0.054 452 3HD2 LEU 55 3HD2 LEU 55 2.108 -3.914 0.031 453 H ILE 56 H ILE 56 6.799 -2.513 0.392 454 HA ILE 56 HA ILE 56 8.393 -4.302 -1.294 455 HB ILE 56 HB ILE 56 8.886 -3.320 1.523 456 1HG1 ILE 56 2HG1 ILE 56 10.970 -2.401 0.166 457 2HG1 ILE 56 1HG1 ILE 56 9.847 -2.509 -1.186 458 1HG2 ILE 56 1HG2 ILE 56 9.900 -5.625 0.192 459 2HG2 ILE 56 2HG2 ILE 56 10.316 -4.998 1.787 460 3HG2 ILE 56 3HG2 ILE 56 11.211 -4.457 0.366 461 1HD1 ILE 56 1HD1 ILE 56 8.984 -1.138 1.307 462 2HD1 ILE 56 2HD1 ILE 56 8.490 -0.860 -0.363 463 3HD1 ILE 56 3HD1 ILE 56 10.071 -0.309 0.193 464 H SER 57 H SER 57 8.437 -6.485 -1.000 465 HA SER 57 HA SER 57 6.541 -7.547 0.982 466 1HB SER 57 2HB SER 57 5.649 -8.688 -0.712 467 2HB SER 57 1HB SER 57 6.869 -8.038 -1.810 468 HG SER 57 HG SER 57 7.929 -9.859 -1.711 469 H ILE 58 H ILE 58 7.181 -8.900 2.472 470 HA ILE 58 HA ILE 58 9.961 -9.881 2.394 471 HB ILE 58 HB ILE 58 8.299 -9.454 4.878 472 1HG1 ILE 58 2HG1 ILE 58 10.578 -7.669 4.125 473 2HG1 ILE 58 1HG1 ILE 58 9.007 -7.389 3.385 474 1HG2 ILE 58 1HG2 ILE 58 9.912 -10.817 5.663 475 2HG2 ILE 58 2HG2 ILE 58 10.887 -9.348 5.647 476 3HG2 ILE 58 3HG2 ILE 58 10.994 -10.491 4.309 477 1HD1 ILE 58 1HD1 ILE 58 9.824 -7.136 6.240 478 2HD1 ILE 58 2HD1 ILE 58 8.136 -7.430 5.823 479 3HD1 ILE 58 3HD1 ILE 58 8.957 -5.994 5.212 480 H GLN 59 H GLN 59 10.194 -12.000 2.165 481 HA GLN 59 HA GLN 59 7.967 -13.757 2.963 482 1HB GLN 59 2HB GLN 59 10.058 -14.534 0.953 483 2HB GLN 59 1HB GLN 59 8.440 -15.185 1.167 484 1HG GLN 59 2HG GLN 59 7.845 -12.636 0.543 485 2HG GLN 59 1HG GLN 59 9.356 -12.833 -0.345 486 1HE2 GLN 59 1HE2 GLN 59 9.146 -15.528 -1.003 487 2HE2 GLN 59 2HE2 GLN 59 7.850 -15.728 -2.127 488 H GLN 60 H GLN 60 8.868 -16.130 3.226 489 HA GLN 60 HA GLN 60 10.507 -16.102 5.529 490 1HB GLN 60 2HB GLN 60 10.410 -18.560 5.378 491 2HB GLN 60 1HB GLN 60 8.825 -17.826 5.196 492 1HG GLN 60 2HG GLN 60 8.936 -18.129 2.791 493 2HG GLN 60 1HG GLN 60 10.554 -18.812 2.938 494 1HE2 GLN 60 1HE2 GLN 60 7.678 -19.348 4.919 495 2HE2 GLN 60 2HE2 GLN 60 7.571 -21.047 4.621 496 H TYR 61 H TYR 61 11.164 -16.627 2.133 497 HA TYR 61 HA TYR 61 13.961 -17.268 2.751 498 1HB TYR 61 2HB TYR 61 12.128 -17.964 0.572 499 2HB TYR 61 1HB TYR 61 13.721 -17.464 0.016 500 HD1 TYR 61 1HD TYR 61 11.798 -20.188 1.122 501 HD2 TYR 61 2HD TYR 61 15.738 -18.589 1.303 502 HE1 TYR 61 1HE TYR 61 12.676 -22.424 1.647 503 HE2 TYR 61 2HE TYR 61 16.627 -20.821 1.826 504 HH TYR 61 HH TYR 61 14.654 -23.417 2.739 505 H GLY 62 H GLY 62 12.158 -14.614 2.283 506 1HA GLY 62 2HA GLY 62 12.702 -12.430 1.831 507 2HA GLY 62 1HA GLY 62 14.382 -12.936 1.765 508 H HIS 63 H HIS 63 11.454 -12.437 -0.072 509 HA HIS 63 HA HIS 63 12.888 -12.895 -2.586 510 1HB HIS 63 2HB HIS 63 10.064 -12.947 -1.743 511 2HB HIS 63 1HB HIS 63 10.350 -12.223 -3.321 512 HD2 HIS 63 2HD HIS 63 11.582 -15.581 -1.620 513 HE1 HIS 63 1HE HIS 63 10.498 -16.268 -5.652 514 HE2 HIS 63 2HE HIS 63 11.207 -17.356 -3.474 515 H GLN 64 H GLN 64 11.107 -10.434 -0.812 516 HA GLN 64 HA GLN 64 11.121 -8.172 -0.890 517 1HB GLN 64 2HB GLN 64 13.693 -8.884 -2.159 518 2HB GLN 64 1HB GLN 64 13.102 -7.259 -2.480 519 1HG GLN 64 2HG GLN 64 13.059 -6.734 -0.159 520 2HG GLN 64 1HG GLN 64 13.386 -8.410 0.282 521 1HE2 GLN 64 1HE2 GLN 64 14.965 -6.552 1.353 522 2HE2 GLN 64 2HE2 GLN 64 16.532 -6.564 0.627 523 H GLU 65 H GLU 65 9.114 -8.344 -2.040 524 HA GLU 65 HA GLU 65 9.245 -7.829 -4.924 525 1HB GLU 65 2HB GLU 65 7.579 -9.456 -3.542 526 2HB GLU 65 1HB GLU 65 6.623 -7.982 -3.543 527 1HG GLU 65 2HG GLU 65 6.793 -7.900 -5.999 528 2HG GLU 65 1HG GLU 65 7.681 -9.423 -5.966 529 H VAL 66 H VAL 66 9.024 -5.816 -5.698 530 HA VAL 66 HA VAL 66 7.919 -3.781 -3.880 531 HB VAL 66 HB VAL 66 10.162 -3.290 -3.826 532 1HG1 VAL 66 1HG1 VAL 66 11.684 -3.436 -5.725 533 2HG1 VAL 66 2HG1 VAL 66 10.344 -3.922 -6.765 534 3HG1 VAL 66 3HG1 VAL 66 10.857 -4.969 -5.441 535 1HG2 VAL 66 1HG2 VAL 66 8.759 -1.681 -5.897 536 2HG2 VAL 66 2HG2 VAL 66 10.490 -1.426 -5.680 537 3HG2 VAL 66 3HG2 VAL 66 9.389 -1.198 -4.322 538 H THR 67 H THR 67 6.516 -2.350 -4.640 539 HA THR 67 HA THR 67 6.099 -2.073 -7.528 540 HB THR 67 HB THR 67 3.809 -2.446 -5.585 541 HG1 THR 67 1HG THR 67 5.299 -4.339 -6.338 542 1HG2 THR 67 1HG2 THR 67 2.374 -2.263 -7.395 543 2HG2 THR 67 2HG2 THR 67 3.636 -2.646 -8.566 544 3HG2 THR 67 3HG2 THR 67 3.608 -1.065 -7.786 545 H ARG 68 H ARG 68 6.153 0.038 -8.031 546 HA ARG 68 HA ARG 68 5.927 2.019 -5.924 547 1HB ARG 68 2HB ARG 68 6.386 2.597 -8.843 548 2HB ARG 68 1HB ARG 68 6.850 3.567 -7.452 549 1HG ARG 68 2HG ARG 68 8.216 1.292 -6.946 550 2HG ARG 68 1HG ARG 68 8.210 1.291 -8.711 551 1HD ARG 68 2HD ARG 68 8.787 3.926 -7.734 552 2HD ARG 68 1HD ARG 68 9.881 2.758 -6.992 553 HE ARG 68 HE ARG 68 9.573 3.180 -9.892 554 1HH1 ARG 68 1HH1 ARG 68 11.424 2.136 -7.131 555 2HH1 ARG 68 2HH1 ARG 68 12.861 1.827 -8.048 556 1HH2 ARG 68 1HH2 ARG 68 11.464 2.779 -11.107 557 2HH2 ARG 68 2HH2 ARG 68 12.883 2.192 -10.307 558 H PHE 69 H PHE 69 4.385 3.588 -5.732 559 HA PHE 69 HA PHE 69 2.341 3.935 -7.739 560 1HB PHE 69 2HB PHE 69 0.509 3.506 -5.983 561 2HB PHE 69 1HB PHE 69 1.258 2.110 -6.746 562 HD1 PHE 69 1HD PHE 69 1.808 0.360 -5.384 563 HD2 PHE 69 2HD PHE 69 1.793 4.290 -3.753 564 HE1 PHE 69 1HE PHE 69 2.344 -0.560 -3.168 565 HE2 PHE 69 2HE PHE 69 2.339 3.377 -1.530 566 HZ PHE 69 HZ PHE 69 2.612 0.947 -1.240 567 H ASP 70 H ASP 70 0.963 5.727 -7.346 568 HA ASP 70 HA ASP 70 1.907 7.552 -5.231 569 1HB ASP 70 2HB ASP 70 0.823 8.529 -7.864 570 2HB ASP 70 1HB ASP 70 1.806 9.396 -6.690 571 H PHE 71 H PHE 71 0.335 8.242 -3.877 572 HA PHE 71 HA PHE 71 -2.417 8.335 -4.839 573 1HB PHE 71 2HB PHE 71 -3.305 6.860 -3.242 574 2HB PHE 71 1HB PHE 71 -1.863 6.039 -3.832 575 HD1 PHE 71 1HD PHE 71 0.125 5.857 -2.427 576 HD2 PHE 71 2HD PHE 71 -3.447 7.671 -0.989 577 HE1 PHE 71 1HE PHE 71 0.969 5.682 -0.123 578 HE2 PHE 71 2HE PHE 71 -2.612 7.502 1.318 579 HZ PHE 71 HZ PHE 71 -0.399 6.504 1.754 580 H THR 72 H THR 72 -3.852 9.521 -3.567 581 HA THR 72 HA THR 72 -2.876 10.968 -1.248 582 HB THR 72 HB THR 72 -2.834 13.065 -2.074 583 HG1 THR 72 1HG THR 72 -4.805 12.467 -4.031 584 1HG2 THR 72 1HG2 THR 72 -2.428 13.148 -4.622 585 2HG2 THR 72 2HG2 THR 72 -2.530 11.389 -4.545 586 3HG2 THR 72 3HG2 THR 72 -1.291 12.243 -3.623 587 H THR 73 H THR 73 -4.719 12.324 -0.306 588 HA THR 73 HA THR 73 -7.012 10.668 -0.059 589 HB THR 73 HB THR 73 -6.475 11.936 1.859 590 HG1 THR 73 1HG THR 73 -8.411 13.190 2.135 591 1HG2 THR 73 1HG2 THR 73 -5.792 13.959 -0.031 592 2HG2 THR 73 2HG2 THR 73 -5.438 13.896 1.694 593 3HG2 THR 73 3HG2 THR 73 -6.937 14.636 1.128 594 H THR 74 H THR 74 -6.306 13.574 -1.907 595 HA THR 74 HA THR 74 -8.578 13.081 -3.603 596 HB THR 74 HB THR 74 -9.793 14.307 -1.967 597 HG1 THR 74 1HG THR 74 -10.597 15.311 -3.644 598 1HG2 THR 74 1HG2 THR 74 -8.618 15.564 -0.534 599 2HG2 THR 74 2HG2 THR 74 -8.701 16.836 -1.753 600 3HG2 THR 74 3HG2 THR 74 -7.295 15.775 -1.680 601 H SER 75 H SER 75 -6.426 12.824 -4.762 602 HA SER 75 HA SER 75 -6.048 15.112 -6.446 603 1HB SER 75 2HB SER 75 -4.379 16.022 -5.213 604 2HB SER 75 1HB SER 75 -4.124 14.540 -4.287 605 HG SER 75 HG SER 75 -2.849 13.756 -5.936 606 H THR 76 H THR 76 -4.092 12.286 -5.501 607 HA THR 76 HA THR 76 -3.243 10.539 -6.671 608 HB THR 76 HB THR 76 -5.054 10.222 -8.829 609 HG1 THR 76 1HG THR 76 -6.875 10.989 -8.089 610 1HG2 THR 76 1HG2 THR 76 -5.257 8.146 -7.952 611 2HG2 THR 76 2HG2 THR 76 -5.554 8.750 -6.322 612 3HG2 THR 76 3HG2 THR 76 -3.905 8.664 -6.944 613 H SER 77 H SER 77 -1.464 10.710 -7.841 614 HA SER 77 HA SER 77 -1.407 12.544 -10.118 615 1HB SER 77 2HB SER 77 0.527 13.047 -9.046 616 2HB SER 77 1HB SER 77 0.592 11.487 -8.227 617 HG SER 77 HG SER 77 1.772 10.700 -9.800 618 H THR 78 H THR 78 -1.734 11.787 -12.087 619 HA THR 78 HA THR 78 -0.444 9.386 -13.003 620 HB THR 78 HB THR 78 -2.294 8.220 -12.132 621 HG1 THR 78 1HG THR 78 -2.300 7.326 -14.060 622 1HG2 THR 78 1HG2 THR 78 -4.206 10.155 -13.425 623 2HG2 THR 78 2HG2 THR 78 -3.661 10.317 -11.756 624 3HG2 THR 78 3HG2 THR 78 -4.567 8.887 -12.253 625 HA PRO 79 HA PRO 79 -1.250 12.662 -16.206 626 1HB PRO 79 2HB PRO 79 1.313 13.176 -16.857 627 2HB PRO 79 1HB PRO 79 0.518 13.949 -15.480 628 1HG PRO 79 2HG PRO 79 2.423 11.648 -15.525 629 2HG PRO 79 1HG PRO 79 2.329 13.002 -14.385 630 1HD PRO 79 2HD PRO 79 1.325 10.491 -13.890 631 2HD PRO 79 1HD PRO 79 0.731 11.973 -13.115 632 H GLY 80 H GLY 80 1.761 10.857 -16.781 633 1HA GLY 80 2HA GLY 80 0.456 9.213 -18.802 634 2HA GLY 80 1HA GLY 80 1.661 10.353 -19.387 635 H SER 81 H SER 81 2.067 7.749 -19.902 636 HA SER 81 HA SER 81 3.551 6.039 -19.722 637 1HB SER 81 2HB SER 81 5.011 8.295 -19.550 638 2HB SER 81 1HB SER 81 5.410 7.572 -17.991 639 HG SER 81 HG SER 81 6.370 6.944 -20.380 640 H ARG 82 H ARG 82 5.250 5.131 -17.809 641 HA ARG 82 HA ARG 82 5.297 3.821 -15.952 642 1HB ARG 82 2HB ARG 82 3.847 6.263 -14.982 643 2HB ARG 82 1HB ARG 82 4.086 4.890 -13.909 644 1HG ARG 82 2HG ARG 82 6.567 5.087 -14.545 645 2HG ARG 82 1HG ARG 82 6.134 6.690 -15.143 646 1HD ARG 82 2HD ARG 82 4.955 6.488 -12.616 647 2HD ARG 82 1HD ARG 82 6.567 5.793 -12.439 648 HE ARG 82 HE ARG 82 6.277 8.414 -13.717 649 1HH1 ARG 82 1HH1 ARG 82 7.347 6.478 -11.022 650 2HH1 ARG 82 2HH1 ARG 82 8.339 7.730 -10.352 651 1HH2 ARG 82 1HH2 ARG 82 7.578 10.066 -12.840 652 2HH2 ARG 82 2HH2 ARG 82 8.469 9.770 -11.385 653 H SER 83 H SER 83 3.219 3.334 -17.894 654 HA SER 83 HA SER 83 1.229 2.048 -16.143 655 1HB SER 83 2HB SER 83 0.835 3.508 -18.744 656 2HB SER 83 1HB SER 83 -0.307 2.269 -18.221 657 HG SER 83 HG SER 83 -0.848 3.485 -16.487 658 H HIS 84 H HIS 84 3.209 1.870 -19.022 659 HA HIS 84 HA HIS 84 2.721 -1.031 -19.107 660 1HB HIS 84 2HB HIS 84 2.319 0.934 -21.192 661 2HB HIS 84 1HB HIS 84 3.510 -0.265 -21.686 662 HD2 HIS 84 2HD HIS 84 2.530 -2.717 -22.346 663 HE1 HIS 84 1HE HIS 84 -1.493 -1.889 -21.325 664 HE2 HIS 84 2HE HIS 84 0.104 -3.629 -22.250 665 H HIS 85 H HIS 85 4.937 1.459 -18.748 666 HA HIS 85 HA HIS 85 7.233 0.404 -19.988 667 1HB HIS 85 2HB HIS 85 6.667 2.719 -18.686 668 2HB HIS 85 1HB HIS 85 7.639 1.895 -17.471 669 HD2 HIS 85 2HD HIS 85 8.185 4.246 -20.252 670 HE1 HIS 85 1HE HIS 85 11.713 1.918 -20.069 671 HE2 HIS 85 2HE HIS 85 10.606 3.938 -21.129 672 H HIS 86 H HIS 86 7.473 -1.776 -19.594 673 HA HIS 86 HA HIS 86 8.885 -2.513 -17.255 674 1HB HIS 86 2HB HIS 86 6.176 -2.513 -16.826 675 2HB HIS 86 1HB HIS 86 6.467 -4.182 -17.303 676 HD2 HIS 86 2HD HIS 86 6.059 -2.545 -14.160 677 HE1 HIS 86 1HE HIS 86 9.411 -5.038 -13.491 678 HE2 HIS 86 2HE HIS 86 7.717 -3.494 -12.407 679 H HIS 87 H HIS 87 8.148 -5.295 -17.284 680 HA HIS 87 HA HIS 87 8.695 -7.238 -18.322 681 1HB HIS 87 2HB HIS 87 7.356 -5.641 -20.362 682 2HB HIS 87 1HB HIS 87 8.491 -6.794 -21.054 683 HD2 HIS 87 2HD HIS 87 6.125 -8.093 -22.018 684 HE1 HIS 87 1HE HIS 87 5.228 -9.706 -18.210 685 HE2 HIS 87 2HE HIS 87 4.844 -9.927 -20.706 686 H HIS 88 H HIS 88 9.732 -5.455 -21.152 687 HA HIS 88 HA HIS 88 12.465 -6.378 -20.664 688 1HB HIS 88 2HB HIS 88 10.813 -6.115 -22.992 689 2HB HIS 88 1HB HIS 88 12.257 -5.131 -23.201 690 HD2 HIS 88 2HD HIS 88 13.583 -6.745 -24.934 691 HE1 HIS 88 1HE HIS 88 13.599 -10.178 -22.460 692 HE2 HIS 88 2HE HIS 88 14.323 -9.218 -24.693 693 H HIS 89 H HIS 89 13.994 -5.038 -19.993 694 HA HIS 89 HA HIS 89 15.072 -3.138 -19.352 695 1HB HIS 89 2HB HIS 89 14.374 -2.861 -22.126 696 2HB HIS 89 1HB HIS 89 14.323 -1.281 -21.351 697 HD2 HIS 89 2HD HIS 89 16.663 -0.119 -21.881 698 HE1 HIS 89 1HE HIS 89 19.129 -3.491 -21.203 699 HE2 HIS 89 2HE HIS 89 19.091 -0.988 -21.602 Start of MODEL 12 1 1H MET 1 1HT MET 1 14.514 -4.470 -9.368 2 2H MET 1 2HT MET 1 13.884 -2.916 -9.590 3 3H MET 1 3HT MET 1 15.496 -3.115 -9.117 4 HA MET 1 HA MET 1 14.294 -3.288 -11.740 5 1HB MET 1 2HB MET 1 16.335 -1.899 -10.455 6 2HB MET 1 1HB MET 1 17.186 -3.024 -11.504 7 1HG MET 1 2HG MET 1 15.791 -2.198 -13.399 8 2HG MET 1 1HG MET 1 15.149 -0.967 -12.312 9 1HE MET 1 1HE MET 1 16.915 -1.163 -15.137 10 2HE MET 1 2HE MET 1 18.320 -2.027 -14.513 11 3HE MET 1 3HE MET 1 18.474 -0.345 -15.021 12 H ARG 2 H ARG 2 13.760 -5.592 -11.672 13 HA ARG 2 HA ARG 2 16.107 -7.336 -12.007 14 1HB ARG 2 2HB ARG 2 13.597 -7.673 -10.636 15 2HB ARG 2 1HB ARG 2 13.774 -8.909 -11.874 16 1HG ARG 2 2HG ARG 2 16.242 -8.911 -10.690 17 2HG ARG 2 1HG ARG 2 15.162 -8.588 -9.332 18 1HD ARG 2 2HD ARG 2 15.109 -10.868 -9.319 19 2HD ARG 2 1HD ARG 2 13.775 -10.551 -10.428 20 HE ARG 2 HE ARG 2 16.272 -10.819 -11.787 21 1HH1 ARG 2 1HH1 ARG 2 13.654 -12.604 -10.335 22 2HH1 ARG 2 2HH1 ARG 2 13.905 -14.014 -11.309 23 1HH2 ARG 2 1HH2 ARG 2 16.606 -12.670 -13.076 24 2HH2 ARG 2 2HH2 ARG 2 15.582 -14.051 -12.867 25 H GLY 3 H GLY 3 12.908 -6.602 -13.367 26 1HA GLY 3 2HA GLY 3 13.246 -6.324 -15.929 27 2HA GLY 3 1HA GLY 3 13.660 -8.029 -15.822 28 H SER 4 H SER 4 11.973 -9.441 -14.795 29 HA SER 4 HA SER 4 9.258 -8.445 -15.331 30 1HB SER 4 2HB SER 4 8.685 -10.608 -16.368 31 2HB SER 4 1HB SER 4 9.969 -9.789 -17.257 32 HG SER 4 HG SER 4 10.257 -12.113 -16.767 33 H ASN 5 H ASN 5 7.598 -9.371 -14.101 34 HA ASN 5 HA ASN 5 8.511 -10.973 -11.802 35 1HB ASN 5 2HB ASN 5 6.294 -8.915 -11.808 36 2HB ASN 5 1HB ASN 5 6.866 -9.831 -10.418 37 1HD2 ASN 5 1HD2 ASN 5 7.374 -7.127 -12.454 38 2HD2 ASN 5 2HD2 ASN 5 8.742 -6.475 -11.624 39 H ALA 6 H ALA 6 6.591 -10.906 -14.520 40 HA ALA 6 HA ALA 6 5.017 -12.297 -15.380 41 1HB ALA 6 1HB ALA 6 5.402 -14.110 -13.017 42 2HB ALA 6 2HB ALA 6 6.587 -14.002 -14.319 43 3HB ALA 6 3HB ALA 6 4.941 -14.531 -14.666 44 HA PRO 7 HA PRO 7 1.524 -10.504 -13.170 45 1HB PRO 7 2HB PRO 7 0.053 -11.774 -15.411 46 2HB PRO 7 1HB PRO 7 0.019 -10.101 -14.846 47 1HG PRO 7 2HG PRO 7 1.274 -10.769 -17.107 48 2HG PRO 7 1HG PRO 7 1.927 -9.526 -16.023 49 1HD PRO 7 2HD PRO 7 2.791 -12.363 -16.397 50 2HD PRO 7 1HD PRO 7 3.775 -10.912 -16.116 51 H GLN 8 H GLN 8 1.681 -12.006 -11.423 52 HA GLN 8 HA GLN 8 -0.533 -13.751 -11.204 53 1HB GLN 8 2HB GLN 8 1.036 -15.144 -12.607 54 2HB GLN 8 1HB GLN 8 2.144 -15.150 -11.243 55 1HG GLN 8 2HG GLN 8 -0.096 -16.000 -10.025 56 2HG GLN 8 1HG GLN 8 -0.369 -16.624 -11.651 57 1HE2 GLN 8 1HE2 GLN 8 2.217 -17.198 -12.414 58 2HE2 GLN 8 2HE2 GLN 8 2.827 -18.485 -11.437 59 HA PRO 9 HA PRO 9 1.448 -12.185 -7.284 60 1HB PRO 9 2HB PRO 9 -0.678 -10.812 -6.352 61 2HB PRO 9 1HB PRO 9 0.467 -10.110 -7.503 62 1HG PRO 9 2HG PRO 9 -2.227 -11.316 -8.009 63 2HG PRO 9 1HG PRO 9 -1.523 -9.831 -8.678 64 1HD PRO 9 2HD PRO 9 -1.587 -12.186 -10.039 65 2HD PRO 9 1HD PRO 9 -0.311 -10.972 -10.264 66 H SER 10 H SER 10 1.015 -12.830 -5.143 67 HA SER 10 HA SER 10 -1.321 -14.486 -4.622 68 1HB SER 10 2HB SER 10 1.379 -15.552 -5.065 69 2HB SER 10 1HB SER 10 0.656 -16.072 -3.543 70 HG SER 10 HG SER 10 -1.149 -16.213 -5.535 71 H HIS 11 H HIS 11 -0.364 -15.608 -2.207 72 HA HIS 11 HA HIS 11 -0.357 -13.201 -0.558 73 1HB HIS 11 2HB HIS 11 -0.614 -16.060 0.379 74 2HB HIS 11 1HB HIS 11 -1.025 -14.595 1.268 75 HD2 HIS 11 2HD HIS 11 -2.796 -17.263 -0.547 76 HE1 HIS 11 1HE HIS 11 -5.177 -13.804 -1.070 77 HE2 HIS 11 2HE HIS 11 -5.158 -16.339 -1.094 78 H ILE 12 H ILE 12 1.320 -12.516 0.572 79 HA ILE 12 HA ILE 12 3.789 -14.111 0.538 80 HB ILE 12 HB ILE 12 3.996 -11.922 -0.491 81 1HG1 ILE 12 2HG1 ILE 12 5.407 -11.137 1.915 82 2HG1 ILE 12 1HG1 ILE 12 5.602 -12.863 1.613 83 1HG2 ILE 12 1HG2 ILE 12 3.778 -10.071 1.553 84 2HG2 ILE 12 2HG2 ILE 12 2.385 -11.129 1.783 85 3HG2 ILE 12 3HG2 ILE 12 2.633 -10.321 0.236 86 1HD1 ILE 12 1HD1 ILE 12 7.029 -12.488 -0.037 87 2HD1 ILE 12 2HD1 ILE 12 7.045 -10.799 0.471 88 3HD1 ILE 12 3HD1 ILE 12 5.946 -11.327 -0.804 89 H SER 13 H SER 13 5.147 -14.095 2.462 90 HA SER 13 HA SER 13 3.869 -14.805 4.809 91 1HB SER 13 2HB SER 13 6.556 -14.461 3.948 92 2HB SER 13 1HB SER 13 6.386 -13.593 5.472 93 HG SER 13 HG SER 13 6.131 -15.426 6.492 94 H LYS 14 H LYS 14 4.959 -11.663 3.681 95 HA LYS 14 HA LYS 14 3.074 -10.288 5.296 96 1HB LYS 14 2HB LYS 14 4.624 -9.016 6.698 97 2HB LYS 14 1HB LYS 14 4.722 -10.736 7.049 98 1HG LYS 14 2HG LYS 14 6.845 -10.913 6.294 99 2HG LYS 14 1HG LYS 14 6.625 -9.681 5.050 100 1HD LYS 14 2HD LYS 14 7.521 -8.127 6.365 101 2HD LYS 14 1HD LYS 14 6.372 -8.499 7.652 102 1HE LYS 14 2HE LYS 14 8.823 -10.162 7.147 103 2HE LYS 14 1HE LYS 14 8.842 -8.751 8.204 104 1HZ LYS 14 1HZ LYS 14 7.168 -11.182 8.536 105 2HZ LYS 14 2HZ LYS 14 7.066 -9.804 9.512 106 3HZ LYS 14 3HZ LYS 14 8.484 -10.724 9.497 107 H TYR 15 H TYR 15 2.750 -8.209 4.611 108 HA TYR 15 HA TYR 15 4.450 -7.260 2.395 109 1HB TYR 15 2HB TYR 15 1.691 -7.851 2.416 110 2HB TYR 15 1HB TYR 15 1.800 -6.098 2.421 111 HD1 TYR 15 1HD TYR 15 1.228 -8.649 0.314 112 HD2 TYR 15 2HD TYR 15 3.956 -5.406 0.709 113 HE1 TYR 15 1HE TYR 15 1.597 -8.669 -2.117 114 HE2 TYR 15 2HE TYR 15 4.333 -5.420 -1.722 115 HH TYR 15 HH TYR 15 3.545 -6.206 -3.705 116 H ILE 16 H ILE 16 5.279 -5.204 2.602 117 HA ILE 16 HA ILE 16 4.310 -3.645 4.907 118 HB ILE 16 HB ILE 16 7.078 -3.750 3.717 119 1HG1 ILE 16 2HG1 ILE 16 7.439 -4.077 6.340 120 2HG1 ILE 16 1HG1 ILE 16 5.785 -4.671 6.241 121 1HG2 ILE 16 1HG2 ILE 16 7.013 -2.084 6.009 122 2HG2 ILE 16 2HG2 ILE 16 5.748 -1.520 4.912 123 3HG2 ILE 16 3HG2 ILE 16 7.415 -1.642 4.350 124 1HD1 ILE 16 1HD1 ILE 16 6.682 -6.637 5.741 125 2HD1 ILE 16 2HD1 ILE 16 8.266 -5.926 5.432 126 3HD1 ILE 16 3HD1 ILE 16 7.047 -5.952 4.158 127 H LEU 17 H LEU 17 3.770 -1.572 4.650 128 HA LEU 17 HA LEU 17 3.880 -0.499 1.917 129 1HB LEU 17 2HB LEU 17 1.656 -0.988 3.372 130 2HB LEU 17 1HB LEU 17 2.004 0.654 3.879 131 HG LEU 17 HG LEU 17 2.197 0.491 1.017 132 1HD1 LEU 17 1HD1 LEU 17 0.126 -0.298 0.352 133 2HD1 LEU 17 2HD1 LEU 17 -0.565 -0.159 1.969 134 3HD1 LEU 17 3HD1 LEU 17 0.577 -1.454 1.606 135 1HD2 LEU 17 1HD2 LEU 17 -0.095 1.903 2.098 136 2HD2 LEU 17 2HD2 LEU 17 1.305 2.519 1.221 137 3HD2 LEU 17 3HD2 LEU 17 1.392 2.280 2.965 138 H ARG 18 H ARG 18 5.376 1.027 1.721 139 HA ARG 18 HA ARG 18 5.812 2.826 4.005 140 1HB ARG 18 2HB ARG 18 7.730 1.543 2.115 141 2HB ARG 18 1HB ARG 18 8.108 3.149 2.726 142 1HG ARG 18 2HG ARG 18 8.556 2.403 4.802 143 2HG ARG 18 1HG ARG 18 7.287 1.178 4.752 144 1HD ARG 18 2HD ARG 18 8.691 -0.416 4.036 145 2HD ARG 18 1HD ARG 18 9.482 0.673 2.895 146 HE ARG 18 HE ARG 18 10.938 1.382 4.638 147 1HH1 ARG 18 1HH1 ARG 18 8.855 -1.270 5.514 148 2HH1 ARG 18 2HH1 ARG 18 9.834 -1.764 6.853 149 1HH2 ARG 18 1HH2 ARG 18 12.231 0.741 6.400 150 2HH2 ARG 18 2HH2 ARG 18 11.755 -0.621 7.357 151 H TRP 19 H TRP 19 5.409 4.923 3.666 152 HA TRP 19 HA TRP 19 5.694 6.020 1.003 153 1HB TRP 19 2HB TRP 19 3.459 6.701 0.665 154 2HB TRP 19 1HB TRP 19 3.385 5.005 1.116 155 HD1 TRP 19 HD TRP 19 2.094 8.377 2.090 156 HE1 TRP 19 1HE TRP 19 0.583 8.166 4.164 157 HE3 TRP 19 3HE TRP 19 3.215 3.572 3.424 158 HZ2 TRP 19 2HZ TRP 19 -0.043 6.223 6.111 159 HZ3 TRP 19 3HZ TRP 19 2.117 2.612 5.405 160 HH2 TRP 19 HH TRP 19 0.521 3.911 6.720 161 H ARG 20 H ARG 20 5.547 8.262 0.864 162 HA ARG 20 HA ARG 20 5.259 9.910 3.196 163 1HB ARG 20 2HB ARG 20 7.579 10.856 3.000 164 2HB ARG 20 1HB ARG 20 7.518 9.213 3.620 165 1HG ARG 20 2HG ARG 20 9.136 8.840 2.123 166 2HG ARG 20 1HG ARG 20 7.803 8.743 0.972 167 1HD ARG 20 2HD ARG 20 8.251 11.423 1.055 168 2HD ARG 20 1HD ARG 20 9.879 10.791 1.295 169 HE ARG 20 HE ARG 20 8.319 9.725 -0.929 170 1HH1 ARG 20 1HH1 ARG 20 10.900 11.780 0.195 171 2HH1 ARG 20 2HH1 ARG 20 11.632 11.931 -1.368 172 1HH2 ARG 20 1HH2 ARG 20 9.279 9.916 -2.987 173 2HH2 ARG 20 2HH2 ARG 20 10.711 10.872 -3.176 174 HA PRO 21 HA PRO 21 4.129 12.964 0.221 175 1HB PRO 21 2HB PRO 21 6.074 14.849 1.463 176 2HB PRO 21 1HB PRO 21 4.342 15.049 1.168 177 1HG PRO 21 2HG PRO 21 5.197 14.579 3.625 178 2HG PRO 21 1HG PRO 21 3.749 13.751 3.012 179 1HD PRO 21 2HD PRO 21 6.544 12.701 3.293 180 2HD PRO 21 1HD PRO 21 5.001 11.915 3.696 181 H LYS 22 H LYS 22 4.795 12.626 -1.795 182 HA LYS 22 HA LYS 22 7.437 12.275 -2.642 183 1HB LYS 22 2HB LYS 22 5.242 11.647 -3.823 184 2HB LYS 22 1HB LYS 22 5.237 13.299 -4.423 185 1HG LYS 22 2HG LYS 22 7.308 12.948 -5.581 186 2HG LYS 22 1HG LYS 22 7.487 11.347 -4.856 187 1HD LYS 22 2HD LYS 22 6.660 10.886 -6.985 188 2HD LYS 22 1HD LYS 22 5.222 10.828 -5.967 189 1HE LYS 22 2HE LYS 22 5.998 13.395 -7.277 190 2HE LYS 22 1HE LYS 22 5.193 12.144 -8.225 191 1HZ LYS 22 1HZ LYS 22 4.168 13.670 -5.924 192 2HZ LYS 22 2HZ LYS 22 3.517 12.152 -6.289 193 3HZ LYS 22 3HZ LYS 22 3.447 13.398 -7.431 194 H ASN 23 H ASN 23 5.541 15.146 -2.169 195 HA ASN 23 HA ASN 23 7.195 16.885 -3.722 196 1HB ASN 23 2HB ASN 23 4.849 17.432 -3.242 197 2HB ASN 23 1HB ASN 23 5.218 17.525 -1.522 198 1HD2 ASN 23 1HD2 ASN 23 5.861 18.972 -4.655 199 2HD2 ASN 23 2HD2 ASN 23 6.281 20.535 -4.054 200 H SER 24 H SER 24 7.050 15.912 -0.344 201 HA SER 24 HA SER 24 9.260 17.700 0.327 202 1HB SER 24 2HB SER 24 7.120 17.233 1.782 203 2HB SER 24 1HB SER 24 8.024 15.807 2.293 204 HG SER 24 HG SER 24 9.765 17.644 2.513 205 H VAL 25 H VAL 25 10.362 16.106 2.408 206 HA VAL 25 HA VAL 25 11.461 13.780 1.002 207 HB VAL 25 HB VAL 25 13.105 15.428 0.530 208 1HG1 VAL 25 1HG1 VAL 25 12.548 17.203 1.974 209 2HG1 VAL 25 2HG1 VAL 25 14.182 16.719 2.429 210 3HG1 VAL 25 3HG1 VAL 25 12.807 16.219 3.415 211 1HG2 VAL 25 1HG2 VAL 25 13.697 13.157 1.908 212 2HG2 VAL 25 2HG2 VAL 25 14.509 14.381 2.883 213 3HG2 VAL 25 3HG2 VAL 25 14.891 14.224 1.169 214 H GLY 26 H GLY 26 11.858 12.050 2.287 215 1HA GLY 26 2HA GLY 26 12.099 10.778 4.193 216 2HA GLY 26 1HA GLY 26 12.321 12.265 5.102 217 H ARG 27 H ARG 27 11.061 11.097 6.728 218 HA ARG 27 HA ARG 27 9.170 10.786 7.940 219 1HB ARG 27 2HB ARG 27 8.446 12.972 6.075 220 2HB ARG 27 1HB ARG 27 7.115 12.170 6.895 221 1HG ARG 27 2HG ARG 27 8.789 12.588 8.971 222 2HG ARG 27 1HG ARG 27 9.176 13.975 7.951 223 1HD ARG 27 2HD ARG 27 7.339 14.331 9.643 224 2HD ARG 27 1HD ARG 27 6.937 14.737 7.976 225 HE ARG 27 HE ARG 27 6.141 12.120 8.346 226 1HH1 ARG 27 1HH1 ARG 27 5.383 15.232 9.723 227 2HH1 ARG 27 2HH1 ARG 27 3.753 14.801 10.116 228 1HH2 ARG 27 1HH2 ARG 27 3.998 11.548 8.863 229 2HH2 ARG 27 2HH2 ARG 27 2.966 12.709 9.629 230 H TRP 28 H TRP 28 9.581 8.645 6.569 231 HA TRP 28 HA TRP 28 7.451 7.973 4.748 232 1HB TRP 28 2HB TRP 28 9.553 6.242 6.068 233 2HB TRP 28 1HB TRP 28 8.439 5.693 4.822 234 HD1 TRP 28 HD TRP 28 11.263 8.325 5.236 235 HE1 TRP 28 1HE TRP 28 12.449 8.571 2.964 236 HE3 TRP 28 3HE TRP 28 8.320 5.217 2.438 237 HZ2 TRP 28 2HZ TRP 28 12.175 7.580 0.335 238 HZ3 TRP 28 3HZ TRP 28 8.850 4.921 0.054 239 HH2 TRP 28 HH TRP 28 10.737 6.078 -0.975 240 H LYS 29 H LYS 29 6.413 5.657 5.279 241 HA LYS 29 HA LYS 29 5.561 5.535 8.074 242 1HB LYS 29 2HB LYS 29 3.678 5.827 5.725 243 2HB LYS 29 1HB LYS 29 3.171 5.307 7.326 244 1HG LYS 29 2HG LYS 29 4.545 7.629 7.842 245 2HG LYS 29 1HG LYS 29 3.726 7.974 6.317 246 1HD LYS 29 2HD LYS 29 1.787 8.225 7.375 247 2HD LYS 29 1HD LYS 29 1.928 6.615 8.083 248 1HE LYS 29 2HE LYS 29 3.624 7.864 9.681 249 2HE LYS 29 1HE LYS 29 2.664 9.266 9.213 250 1HZ LYS 29 1HZ LYS 29 0.831 8.484 10.279 251 2HZ LYS 29 2HZ LYS 29 2.016 7.778 11.260 252 3HZ LYS 29 3HZ LYS 29 1.245 6.856 10.070 253 H GLU 30 H GLU 30 4.931 3.446 8.715 254 HA GLU 30 HA GLU 30 5.342 1.376 6.657 255 1HB GLU 30 2HB GLU 30 5.844 0.680 9.492 256 2HB GLU 30 1HB GLU 30 6.676 0.153 8.036 257 1HG GLU 30 2HG GLU 30 8.321 1.543 8.520 258 2HG GLU 30 1HG GLU 30 7.213 2.894 8.294 259 H ALA 31 H ALA 31 3.807 -0.057 6.349 260 HA ALA 31 HA ALA 31 1.884 -0.661 8.466 261 1HB ALA 31 1HB ALA 31 0.101 -0.605 6.557 262 2HB ALA 31 2HB ALA 31 1.229 0.520 5.800 263 3HB ALA 31 3HB ALA 31 0.549 0.885 7.386 264 H THR 32 H THR 32 2.142 -2.792 8.720 265 HA THR 32 HA THR 32 2.799 -4.436 6.398 266 HB THR 32 HB THR 32 2.713 -5.441 9.229 267 HG1 THR 32 1HG THR 32 5.204 -4.886 8.580 268 1HG2 THR 32 1HG2 THR 32 2.904 -7.102 7.436 269 2HG2 THR 32 2HG2 THR 32 4.392 -7.018 8.380 270 3HG2 THR 32 3HG2 THR 32 4.310 -6.254 6.792 271 H ILE 33 H ILE 33 1.363 -5.608 5.404 272 HA ILE 33 HA ILE 33 -1.052 -6.478 6.842 273 HB ILE 33 HB ILE 33 -1.568 -6.428 4.041 274 1HG1 ILE 33 2HG1 ILE 33 -1.450 -3.646 4.380 275 2HG1 ILE 33 1HG1 ILE 33 0.122 -4.239 4.907 276 1HG2 ILE 33 1HG2 ILE 33 -2.648 -5.135 6.496 277 2HG2 ILE 33 2HG2 ILE 33 -3.413 -6.274 5.388 278 3HG2 ILE 33 3HG2 ILE 33 -3.216 -4.586 4.919 279 1HD1 ILE 33 1HD1 ILE 33 -0.977 -4.004 2.244 280 2HD1 ILE 33 2HD1 ILE 33 -0.350 -5.621 2.567 281 3HD1 ILE 33 3HD1 ILE 33 0.694 -4.214 2.766 282 HA PRO 34 HA PRO 34 0.864 -10.411 5.694 283 1HB PRO 34 2HB PRO 34 -1.525 -11.524 7.023 284 2HB PRO 34 1HB PRO 34 0.184 -11.796 7.372 285 1HG PRO 34 2HG PRO 34 -1.361 -10.335 9.003 286 2HG PRO 34 1HG PRO 34 0.343 -9.932 8.727 287 1HD PRO 34 2HD PRO 34 -2.115 -8.669 7.572 288 2HD PRO 34 1HD PRO 34 -0.618 -7.905 8.147 289 H GLY 35 H GLY 35 0.545 -10.491 3.494 290 1HA GLY 35 2HA GLY 35 -0.395 -11.298 1.552 291 2HA GLY 35 1HA GLY 35 -1.623 -12.080 2.539 292 H HIS 36 H HIS 36 -3.552 -11.006 2.990 293 HA HIS 36 HA HIS 36 -4.116 -8.334 2.398 294 1HB HIS 36 2HB HIS 36 -3.821 -9.740 0.053 295 2HB HIS 36 1HB HIS 36 -5.560 -9.820 0.321 296 HD2 HIS 36 2HD HIS 36 -3.056 -6.776 0.694 297 HE1 HIS 36 1HE HIS 36 -6.388 -5.675 -1.671 298 HE2 HIS 36 2HE HIS 36 -4.307 -4.837 -0.490 299 H LEU 37 H LEU 37 -5.423 -8.260 4.149 300 HA LEU 37 HA LEU 37 -7.399 -10.308 4.640 301 1HB LEU 37 2HB LEU 37 -7.210 -7.656 6.053 302 2HB LEU 37 1HB LEU 37 -7.907 -9.148 6.647 303 HG LEU 37 HG LEU 37 -5.948 -9.078 7.841 304 1HD1 LEU 37 1HD1 LEU 37 -4.383 -10.679 6.943 305 2HD1 LEU 37 2HD1 LEU 37 -5.028 -10.442 5.319 306 3HD1 LEU 37 3HD1 LEU 37 -6.031 -11.182 6.568 307 1HD2 LEU 37 1HD2 LEU 37 -3.777 -8.479 6.305 308 2HD2 LEU 37 2HD2 LEU 37 -4.651 -7.334 7.323 309 3HD2 LEU 37 3HD2 LEU 37 -5.022 -7.445 5.602 310 H ASN 38 H ASN 38 -7.276 -7.072 3.340 311 HA ASN 38 HA ASN 38 -9.694 -7.334 1.928 312 1HB ASN 38 2HB ASN 38 -11.207 -5.971 3.101 313 2HB ASN 38 1HB ASN 38 -10.495 -6.985 4.353 314 1HD2 ASN 38 1HD2 ASN 38 -8.125 -5.790 4.844 315 2HD2 ASN 38 2HD2 ASN 38 -8.369 -4.191 5.451 316 H SER 39 H SER 39 -10.453 -4.722 1.581 317 HA SER 39 HA SER 39 -8.245 -3.705 0.051 318 1HB SER 39 2HB SER 39 -10.841 -2.254 0.551 319 2HB SER 39 1HB SER 39 -9.778 -2.143 -0.852 320 HG SER 39 HG SER 39 -10.902 -4.626 -0.225 321 H TYR 40 H TYR 40 -6.616 -2.775 1.139 322 HA TYR 40 HA TYR 40 -7.253 -0.978 3.369 323 1HB TYR 40 2HB TYR 40 -5.419 -2.972 3.268 324 2HB TYR 40 1HB TYR 40 -4.424 -1.602 2.784 325 HD1 TYR 40 1HD TYR 40 -4.933 -3.496 5.468 326 HD2 TYR 40 2HD TYR 40 -5.378 0.596 4.380 327 HE1 TYR 40 1HE TYR 40 -4.692 -2.844 7.829 328 HE2 TYR 40 2HE TYR 40 -5.139 1.255 6.736 329 HH TYR 40 HH TYR 40 -3.845 -0.193 8.930 330 H THR 41 H THR 41 -7.515 1.066 2.774 331 HA THR 41 HA THR 41 -5.546 2.236 0.923 332 HB THR 41 HB THR 41 -7.579 3.846 0.388 333 HG1 THR 41 1HG THR 41 -8.773 1.428 1.278 334 1HG2 THR 41 1HG2 THR 41 -7.615 1.138 -0.910 335 2HG2 THR 41 2HG2 THR 41 -6.246 2.231 -1.117 336 3HG2 THR 41 3HG2 THR 41 -7.856 2.724 -1.645 337 H ILE 42 H ILE 42 -4.515 3.961 1.701 338 HA ILE 42 HA ILE 42 -5.245 4.999 4.296 339 HB ILE 42 HB ILE 42 -2.922 5.485 2.449 340 1HG1 ILE 42 2HG1 ILE 42 -2.255 4.874 5.165 341 2HG1 ILE 42 1HG1 ILE 42 -3.464 3.725 4.605 342 1HG2 ILE 42 1HG2 ILE 42 -2.109 6.865 4.549 343 2HG2 ILE 42 2HG2 ILE 42 -3.840 7.148 4.736 344 3HG2 ILE 42 3HG2 ILE 42 -3.024 7.623 3.245 345 1HD1 ILE 42 1HD1 ILE 42 -2.031 2.706 3.224 346 2HD1 ILE 42 2HD1 ILE 42 -0.803 3.460 4.241 347 3HD1 ILE 42 3HD1 ILE 42 -1.278 4.219 2.722 348 H LYS 43 H LYS 43 -6.495 6.697 4.635 349 HA LYS 43 HA LYS 43 -6.669 8.786 2.574 350 1HB LYS 43 2HB LYS 43 -8.980 7.572 4.100 351 2HB LYS 43 1HB LYS 43 -9.096 8.995 3.074 352 1HG LYS 43 2HG LYS 43 -8.039 7.319 1.302 353 2HG LYS 43 1HG LYS 43 -8.840 6.140 2.342 354 1HD LYS 43 2HD LYS 43 -10.896 7.684 2.131 355 2HD LYS 43 1HD LYS 43 -10.043 8.378 0.750 356 1HE LYS 43 2HE LYS 43 -10.489 6.612 -0.547 357 2HE LYS 43 1HE LYS 43 -10.074 5.466 0.726 358 1HZ LYS 43 1HZ LYS 43 -12.396 5.285 0.081 359 2HZ LYS 43 2HZ LYS 43 -12.660 6.907 0.484 360 3HZ LYS 43 3HZ LYS 43 -12.262 5.790 1.690 361 H GLY 44 H GLY 44 -6.166 10.717 3.373 362 1HA GLY 44 2HA GLY 44 -7.112 12.197 5.328 363 2HA GLY 44 1HA GLY 44 -6.147 11.079 6.278 364 H LEU 45 H LEU 45 -5.092 12.023 3.108 365 HA LEU 45 HA LEU 45 -2.663 13.106 4.181 366 1HB LEU 45 2HB LEU 45 -3.707 12.949 1.352 367 2HB LEU 45 1HB LEU 45 -2.114 13.536 1.778 368 HG LEU 45 HG LEU 45 -1.705 11.348 1.125 369 1HD1 LEU 45 1HD1 LEU 45 -0.868 11.915 3.451 370 2HD1 LEU 45 2HD1 LEU 45 -0.937 10.204 3.029 371 3HD1 LEU 45 3HD1 LEU 45 -2.184 10.909 4.056 372 1HD2 LEU 45 1HD2 LEU 45 -3.800 10.076 2.786 373 2HD2 LEU 45 2HD2 LEU 45 -3.140 9.594 1.225 374 3HD2 LEU 45 3HD2 LEU 45 -4.312 10.908 1.318 375 H LYS 46 H LYS 46 -2.658 15.083 1.794 376 HA LYS 46 HA LYS 46 -4.409 17.154 2.884 377 1HB LYS 46 2HB LYS 46 -1.749 18.200 2.268 378 2HB LYS 46 1HB LYS 46 -2.792 18.523 3.644 379 1HG LYS 46 2HG LYS 46 -1.892 16.814 4.899 380 2HG LYS 46 1HG LYS 46 -1.336 15.924 3.483 381 1HD LYS 46 2HD LYS 46 0.513 16.910 4.738 382 2HD LYS 46 1HD LYS 46 0.401 17.581 3.110 383 1HE LYS 46 2HE LYS 46 0.839 19.359 4.680 384 2HE LYS 46 1HE LYS 46 -0.796 19.533 4.041 385 1HZ LYS 46 1HZ LYS 46 -0.052 18.399 6.683 386 2HZ LYS 46 2HZ LYS 46 -1.627 18.460 6.070 387 3HZ LYS 46 3HZ LYS 46 -0.794 19.894 6.406 388 HA PRO 47 HA PRO 47 -4.874 18.161 -1.388 389 1HB PRO 47 2HB PRO 47 -5.731 20.707 -1.253 390 2HB PRO 47 1HB PRO 47 -6.722 19.355 -0.691 391 1HG PRO 47 2HG PRO 47 -5.035 21.253 0.895 392 2HG PRO 47 1HG PRO 47 -6.668 20.655 1.239 393 1HD PRO 47 2HD PRO 47 -4.422 19.640 2.406 394 2HD PRO 47 1HD PRO 47 -5.894 18.687 2.128 395 H GLY 48 H GLY 48 -3.612 18.821 -3.030 396 1HA GLY 48 2HA GLY 48 -2.174 20.287 -4.184 397 2HA GLY 48 1HA GLY 48 -1.805 21.087 -2.665 398 H VAL 49 H VAL 49 -1.462 18.162 -1.613 399 HA VAL 49 HA VAL 49 1.291 17.844 -2.625 400 HB VAL 49 HB VAL 49 1.367 18.627 -0.341 401 1HG1 VAL 49 1HG1 VAL 49 0.407 17.014 1.441 402 2HG1 VAL 49 2HG1 VAL 49 -0.628 16.451 0.128 403 3HG1 VAL 49 3HG1 VAL 49 -0.676 18.142 0.626 404 1HG2 VAL 49 1HG2 VAL 49 2.488 16.631 0.745 405 2HG2 VAL 49 2HG2 VAL 49 3.111 17.112 -0.833 406 3HG2 VAL 49 3HG2 VAL 49 2.040 15.717 -0.695 407 H VAL 50 H VAL 50 1.919 15.874 -3.299 408 HA VAL 50 HA VAL 50 -0.062 13.708 -3.143 409 HB VAL 50 HB VAL 50 2.255 14.068 -5.051 410 1HG1 VAL 50 1HG1 VAL 50 0.666 11.740 -4.345 411 2HG1 VAL 50 2HG1 VAL 50 2.147 11.850 -5.296 412 3HG1 VAL 50 3HG1 VAL 50 0.582 12.120 -6.065 413 1HG2 VAL 50 1HG2 VAL 50 -0.478 14.971 -5.079 414 2HG2 VAL 50 2HG2 VAL 50 -0.165 13.879 -6.431 415 3HG2 VAL 50 3HG2 VAL 50 0.830 15.320 -6.211 416 H TYR 51 H TYR 51 0.471 11.715 -2.321 417 HA TYR 51 HA TYR 51 3.049 11.602 -0.913 418 1HB TYR 51 2HB TYR 51 0.384 10.308 -0.374 419 2HB TYR 51 1HB TYR 51 1.861 9.744 0.399 420 HD1 TYR 51 1HD TYR 51 0.011 12.943 -0.188 421 HD2 TYR 51 2HD TYR 51 2.389 10.620 2.468 422 HE1 TYR 51 1HE TYR 51 -0.248 14.669 1.543 423 HE2 TYR 51 2HE TYR 51 2.138 12.343 4.206 424 HH TYR 51 HH TYR 51 0.210 14.251 4.642 425 H GLU 52 H GLU 52 4.559 10.349 -1.724 426 HA GLU 52 HA GLU 52 3.896 8.346 -3.721 427 1HB GLU 52 2HB GLU 52 5.923 8.841 -4.527 428 2HB GLU 52 1HB GLU 52 6.107 10.019 -3.239 429 1HG GLU 52 2HG GLU 52 7.946 8.832 -2.771 430 2HG GLU 52 1HG GLU 52 6.815 7.773 -1.931 431 H GLY 53 H GLY 53 4.050 6.141 -3.458 432 1HA GLY 53 2HA GLY 53 5.062 5.155 -0.885 433 2HA GLY 53 1HA GLY 53 3.404 4.788 -1.320 434 H GLN 54 H GLN 54 5.746 3.082 -0.821 435 HA GLN 54 HA GLN 54 5.586 1.473 -3.267 436 1HB GLN 54 2HB GLN 54 8.072 0.863 -2.197 437 2HB GLN 54 1HB GLN 54 7.775 1.844 -3.628 438 1HG GLN 54 2HG GLN 54 8.021 3.836 -2.469 439 2HG GLN 54 1HG GLN 54 7.772 3.065 -0.902 440 1HE2 GLN 54 1HE2 GLN 54 10.025 3.659 -3.485 441 2HE2 GLN 54 2HE2 GLN 54 11.449 3.187 -2.626 442 H LEU 55 H LEU 55 5.234 -0.679 -2.893 443 HA LEU 55 HA LEU 55 4.905 -1.440 -0.077 444 1HB LEU 55 2HB LEU 55 3.527 -2.091 -2.579 445 2HB LEU 55 1HB LEU 55 3.826 -3.483 -1.556 446 HG LEU 55 HG LEU 55 2.560 -1.030 -0.397 447 1HD1 LEU 55 1HD1 LEU 55 1.211 -1.451 -2.331 448 2HD1 LEU 55 2HD1 LEU 55 0.353 -2.052 -0.914 449 3HD1 LEU 55 3HD1 LEU 55 1.177 -3.181 -1.989 450 1HD2 LEU 55 1HD2 LEU 55 1.643 -3.689 0.375 451 2HD2 LEU 55 2HD2 LEU 55 2.174 -2.335 1.376 452 3HD2 LEU 55 3HD2 LEU 55 3.363 -3.425 0.664 453 H ILE 56 H ILE 56 6.705 -2.352 0.728 454 HA ILE 56 HA ILE 56 8.273 -4.170 -0.947 455 HB ILE 56 HB ILE 56 8.860 -3.095 1.816 456 1HG1 ILE 56 2HG1 ILE 56 10.813 -2.207 0.075 457 2HG1 ILE 56 1HG1 ILE 56 9.349 -2.111 -0.897 458 1HG2 ILE 56 1HG2 ILE 56 11.174 -3.999 1.294 459 2HG2 ILE 56 2HG2 ILE 56 10.413 -4.916 -0.007 460 3HG2 ILE 56 3HG2 ILE 56 9.931 -5.194 1.666 461 1HD1 ILE 56 1HD1 ILE 56 8.404 -0.512 0.439 462 2HD1 ILE 56 2HD1 ILE 56 10.114 -0.090 0.549 463 3HD1 ILE 56 3HD1 ILE 56 9.341 -0.986 1.855 464 H SER 57 H SER 57 7.877 -6.261 -0.877 465 HA SER 57 HA SER 57 6.403 -7.361 1.395 466 1HB SER 57 2HB SER 57 5.956 -7.553 -1.304 467 2HB SER 57 1HB SER 57 6.771 -9.076 -0.949 468 HG SER 57 HG SER 57 4.699 -9.520 -0.519 469 H ILE 58 H ILE 58 7.254 -8.785 2.723 470 HA ILE 58 HA ILE 58 9.869 -9.964 2.051 471 HB ILE 58 HB ILE 58 8.768 -9.480 4.822 472 1HG1 ILE 58 2HG1 ILE 58 10.895 -7.923 3.333 473 2HG1 ILE 58 1HG1 ILE 58 9.241 -7.371 3.577 474 1HG2 ILE 58 1HG2 ILE 58 11.220 -10.738 3.735 475 2HG2 ILE 58 2HG2 ILE 58 10.298 -11.117 5.191 476 3HG2 ILE 58 3HG2 ILE 58 11.397 -9.737 5.176 477 1HD1 ILE 58 1HD1 ILE 58 10.691 -8.138 6.015 478 2HD1 ILE 58 2HD1 ILE 58 9.621 -6.770 5.706 479 3HD1 ILE 58 3HD1 ILE 58 11.301 -6.715 5.171 480 H GLN 59 H GLN 59 10.000 -12.117 1.926 481 HA GLN 59 HA GLN 59 7.744 -13.701 2.966 482 1HB GLN 59 2HB GLN 59 8.875 -15.338 1.107 483 2HB GLN 59 1HB GLN 59 7.506 -14.280 0.799 484 1HG GLN 59 2HG GLN 59 9.050 -12.552 -0.018 485 2HG GLN 59 1HG GLN 59 10.398 -13.656 0.245 486 1HE2 GLN 59 1HE2 GLN 59 9.352 -16.019 -0.662 487 2HE2 GLN 59 2HE2 GLN 59 9.047 -15.907 -2.358 488 H GLN 60 H GLN 60 8.581 -16.178 2.975 489 HA GLN 60 HA GLN 60 10.467 -16.267 5.115 490 1HB GLN 60 2HB GLN 60 10.183 -18.772 4.850 491 2HB GLN 60 1HB GLN 60 8.719 -17.862 5.196 492 1HG GLN 60 2HG GLN 60 7.901 -18.114 3.033 493 2HG GLN 60 1HG GLN 60 9.483 -18.539 2.383 494 1HE2 GLN 60 1HE2 GLN 60 8.421 -20.360 1.428 495 2HE2 GLN 60 2HE2 GLN 60 8.114 -21.777 2.367 496 H TYR 61 H TYR 61 10.852 -16.095 1.803 497 HA TYR 61 HA TYR 61 13.319 -17.660 1.762 498 1HB TYR 61 2HB TYR 61 11.346 -16.968 -0.189 499 2HB TYR 61 1HB TYR 61 12.903 -16.339 -0.719 500 HD1 TYR 61 1HD TYR 61 11.009 -19.380 0.102 501 HD2 TYR 61 2HD TYR 61 14.694 -17.826 -1.346 502 HE1 TYR 61 1HE TYR 61 11.643 -21.625 -0.677 503 HE2 TYR 61 2HE TYR 61 15.337 -20.066 -2.131 504 HH TYR 61 HH TYR 61 13.853 -22.853 -1.151 505 H GLY 62 H GLY 62 12.403 -14.591 2.554 506 1HA GLY 62 2HA GLY 62 13.706 -12.763 3.101 507 2HA GLY 62 1HA GLY 62 15.110 -13.639 2.515 508 H HIS 63 H HIS 63 12.249 -13.065 0.565 509 HA HIS 63 HA HIS 63 13.893 -11.619 -1.351 510 1HB HIS 63 2HB HIS 63 11.259 -13.001 -1.431 511 2HB HIS 63 1HB HIS 63 11.522 -11.686 -2.572 512 HD2 HIS 63 2HD HIS 63 13.659 -14.864 -1.559 513 HE1 HIS 63 1HE HIS 63 13.745 -14.291 -5.751 514 HE2 HIS 63 2HE HIS 63 14.400 -15.833 -3.848 515 H GLN 64 H GLN 64 12.410 -9.849 -2.579 516 HA GLN 64 HA GLN 64 11.001 -8.177 -0.666 517 1HB GLN 64 2HB GLN 64 13.637 -7.453 -1.903 518 2HB GLN 64 1HB GLN 64 12.474 -6.198 -1.497 519 1HG GLN 64 2HG GLN 64 13.080 -6.249 0.627 520 2HG GLN 64 1HG GLN 64 12.780 -7.984 0.719 521 1HE2 GLN 64 1HE2 GLN 64 14.524 -8.527 1.936 522 2HE2 GLN 64 2HE2 GLN 64 16.160 -8.369 1.402 523 H GLU 65 H GLU 65 9.150 -7.987 -1.760 524 HA GLU 65 HA GLU 65 9.208 -7.382 -4.628 525 1HB GLU 65 2HB GLU 65 7.640 -9.120 -3.285 526 2HB GLU 65 1HB GLU 65 6.630 -7.685 -3.180 527 1HG GLU 65 2HG GLU 65 7.742 -8.451 -5.830 528 2HG GLU 65 1HG GLU 65 6.400 -9.384 -5.168 529 H VAL 66 H VAL 66 8.922 -5.347 -5.328 530 HA VAL 66 HA VAL 66 7.647 -3.454 -3.476 531 HB VAL 66 HB VAL 66 9.815 -2.848 -3.155 532 1HG1 VAL 66 1HG1 VAL 66 11.608 -3.061 -4.695 533 2HG1 VAL 66 2HG1 VAL 66 10.498 -3.314 -6.042 534 3HG1 VAL 66 3HG1 VAL 66 10.647 -4.539 -4.781 535 1HG2 VAL 66 1HG2 VAL 66 8.341 -1.093 -4.647 536 2HG2 VAL 66 2HG2 VAL 66 9.846 -1.184 -5.562 537 3HG2 VAL 66 3HG2 VAL 66 9.875 -0.719 -3.861 538 H THR 67 H THR 67 6.221 -2.090 -4.278 539 HA THR 67 HA THR 67 6.067 -1.639 -7.173 540 HB THR 67 HB THR 67 3.688 -2.364 -5.443 541 HG1 THR 67 1HG THR 67 3.995 -3.980 -7.535 542 1HG2 THR 67 1HG2 THR 67 2.344 -1.618 -7.068 543 2HG2 THR 67 2HG2 THR 67 3.313 -2.387 -8.325 544 3HG2 THR 67 3HG2 THR 67 3.755 -0.789 -7.723 545 H ARG 68 H ARG 68 6.008 0.480 -7.560 546 HA ARG 68 HA ARG 68 5.525 2.338 -5.394 547 1HB ARG 68 2HB ARG 68 5.990 3.221 -8.210 548 2HB ARG 68 1HB ARG 68 6.553 3.937 -6.706 549 1HG ARG 68 2HG ARG 68 7.969 1.781 -6.493 550 2HG ARG 68 1HG ARG 68 7.662 1.618 -8.224 551 1HD ARG 68 2HD ARG 68 9.568 2.844 -8.343 552 2HD ARG 68 1HD ARG 68 8.417 4.171 -8.193 553 HE ARG 68 HE ARG 68 9.098 3.533 -5.618 554 1HH1 ARG 68 1HH1 ARG 68 10.840 4.475 -8.485 555 2HH1 ARG 68 2HH1 ARG 68 12.102 5.278 -7.612 556 1HH2 ARG 68 1HH2 ARG 68 10.754 4.590 -4.460 557 2HH2 ARG 68 2HH2 ARG 68 12.053 5.343 -5.324 558 H PHE 69 H PHE 69 3.945 3.937 -5.341 559 HA PHE 69 HA PHE 69 1.907 4.082 -7.374 560 1HB PHE 69 2HB PHE 69 0.112 3.680 -5.520 561 2HB PHE 69 1HB PHE 69 0.841 2.301 -6.334 562 HD1 PHE 69 1HD PHE 69 1.001 4.351 -3.248 563 HD2 PHE 69 2HD PHE 69 1.990 0.664 -5.131 564 HE1 PHE 69 1HE PHE 69 1.690 3.427 -1.070 565 HE2 PHE 69 2HE PHE 69 2.677 -0.265 -2.958 566 HZ PHE 69 HZ PHE 69 2.526 1.116 -0.926 567 H ASP 70 H ASP 70 0.785 5.993 -7.322 568 HA ASP 70 HA ASP 70 1.513 7.861 -5.159 569 1HB ASP 70 2HB ASP 70 0.782 8.533 -8.019 570 2HB ASP 70 1HB ASP 70 1.283 9.676 -6.776 571 H PHE 71 H PHE 71 -0.111 8.508 -3.891 572 HA PHE 71 HA PHE 71 -2.803 8.698 -5.024 573 1HB PHE 71 2HB PHE 71 -3.795 7.480 -3.158 574 2HB PHE 71 1HB PHE 71 -2.642 6.461 -4.013 575 HD1 PHE 71 1HD PHE 71 -0.527 5.840 -2.984 576 HD2 PHE 71 2HD PHE 71 -3.387 8.206 -0.902 577 HE1 PHE 71 1HE PHE 71 0.641 5.383 -0.868 578 HE2 PHE 71 2HE PHE 71 -2.224 7.753 1.218 579 HZ PHE 71 HZ PHE 71 -0.207 6.340 1.237 580 H THR 72 H THR 72 -4.233 10.055 -3.898 581 HA THR 72 HA THR 72 -3.187 11.621 -1.666 582 HB THR 72 HB THR 72 -3.573 13.748 -2.665 583 HG1 THR 72 1HG THR 72 -4.164 13.078 -5.210 584 1HG2 THR 72 1HG2 THR 72 -1.561 12.142 -3.498 585 2HG2 THR 72 2HG2 THR 72 -1.729 13.834 -3.967 586 3HG2 THR 72 3HG2 THR 72 -2.302 12.560 -5.043 587 H THR 73 H THR 73 -4.776 12.428 -0.325 588 HA THR 73 HA THR 73 -7.343 11.207 -0.498 589 HB THR 73 HB THR 73 -6.274 11.695 1.669 590 HG1 THR 73 1HG THR 73 -8.636 11.597 1.385 591 1HG2 THR 73 1HG2 THR 73 -6.387 14.460 0.620 592 2HG2 THR 73 2HG2 THR 73 -5.211 13.700 1.692 593 3HG2 THR 73 3HG2 THR 73 -6.759 14.251 2.331 594 H THR 74 H THR 74 -6.041 14.286 -1.442 595 HA THR 74 HA THR 74 -8.271 14.934 -3.046 596 HB THR 74 HB THR 74 -9.454 15.507 -1.054 597 HG1 THR 74 1HG THR 74 -9.303 17.117 -2.882 598 1HG2 THR 74 1HG2 THR 74 -8.582 16.457 0.808 599 2HG2 THR 74 2HG2 THR 74 -7.544 17.550 -0.107 600 3HG2 THR 74 3HG2 THR 74 -7.060 15.871 0.134 601 H SER 75 H SER 75 -5.878 14.852 -3.968 602 HA SER 75 HA SER 75 -5.020 17.655 -4.191 603 1HB SER 75 2HB SER 75 -3.445 16.382 -2.734 604 2HB SER 75 1HB SER 75 -3.128 15.294 -4.085 605 HG SER 75 HG SER 75 -2.795 17.711 -5.025 606 H THR 76 H THR 76 -3.444 14.927 -5.734 607 HA THR 76 HA THR 76 -4.897 15.100 -8.188 608 HB THR 76 HB THR 76 -3.567 17.212 -8.284 609 HG1 THR 76 1HG THR 76 -3.893 16.675 -10.313 610 1HG2 THR 76 1HG2 THR 76 -1.046 16.299 -9.031 611 2HG2 THR 76 2HG2 THR 76 -1.433 15.389 -7.571 612 3HG2 THR 76 3HG2 THR 76 -1.460 17.152 -7.544 613 H SER 77 H SER 77 -3.281 14.089 -10.010 614 HA SER 77 HA SER 77 -2.338 12.165 -10.756 615 1HB SER 77 2HB SER 77 -0.852 12.604 -8.177 616 2HB SER 77 1HB SER 77 -0.526 11.189 -9.178 617 HG SER 77 HG SER 77 0.820 13.049 -9.625 618 H THR 78 H THR 78 -4.781 11.661 -10.004 619 HA THR 78 HA THR 78 -4.604 9.024 -8.750 620 HB THR 78 HB THR 78 -7.065 10.017 -7.867 621 HG1 THR 78 1HG THR 78 -4.962 11.897 -7.451 622 1HG2 THR 78 1HG2 THR 78 -4.456 9.639 -6.393 623 2HG2 THR 78 2HG2 THR 78 -5.707 8.424 -6.653 624 3HG2 THR 78 3HG2 THR 78 -6.032 9.817 -5.622 625 HA PRO 79 HA PRO 79 -7.013 9.225 -12.798 626 1HB PRO 79 2HB PRO 79 -5.657 6.588 -13.017 627 2HB PRO 79 1HB PRO 79 -5.861 7.854 -14.233 628 1HG PRO 79 2HG PRO 79 -3.501 7.465 -13.067 629 2HG PRO 79 1HG PRO 79 -4.081 9.103 -13.423 630 1HD PRO 79 2HD PRO 79 -4.013 7.641 -10.815 631 2HD PRO 79 1HD PRO 79 -3.684 9.353 -11.158 632 H GLY 80 H GLY 80 -6.352 6.138 -11.119 633 1HA GLY 80 2HA GLY 80 -8.152 5.200 -9.710 634 2HA GLY 80 1HA GLY 80 -9.276 5.742 -10.946 635 H SER 81 H SER 81 -8.316 4.896 -13.261 636 HA SER 81 HA SER 81 -8.593 2.026 -13.062 637 1HB SER 81 2HB SER 81 -8.630 2.118 -15.554 638 2HB SER 81 1HB SER 81 -9.828 3.177 -14.809 639 HG SER 81 HG SER 81 -8.694 4.912 -15.403 640 H ARG 82 H ARG 82 -6.649 1.375 -12.097 641 HA ARG 82 HA ARG 82 -4.122 2.041 -13.315 642 1HB ARG 82 2HB ARG 82 -4.854 0.138 -11.086 643 2HB ARG 82 1HB ARG 82 -3.205 0.435 -11.620 644 1HG ARG 82 2HG ARG 82 -4.925 2.729 -10.796 645 2HG ARG 82 1HG ARG 82 -4.166 1.711 -9.571 646 1HD ARG 82 2HD ARG 82 -2.863 3.416 -11.669 647 2HD ARG 82 1HD ARG 82 -2.646 3.462 -9.921 648 HE ARG 82 HE ARG 82 -1.378 1.649 -11.795 649 1HH1 ARG 82 1HH1 ARG 82 -2.091 2.397 -8.466 650 2HH1 ARG 82 2HH1 ARG 82 -0.808 1.417 -7.838 651 1HH2 ARG 82 1HH2 ARG 82 0.310 0.356 -10.977 652 2HH2 ARG 82 2HH2 ARG 82 0.556 0.256 -9.265 653 H SER 83 H SER 83 -6.196 -0.823 -13.088 654 HA SER 83 HA SER 83 -4.931 -1.877 -15.493 655 1HB SER 83 2HB SER 83 -3.805 -2.813 -13.362 656 2HB SER 83 1HB SER 83 -5.300 -3.721 -13.145 657 HG SER 83 HG SER 83 -3.379 -4.590 -14.479 658 H HIS 84 H HIS 84 -7.311 -2.692 -12.961 659 HA HIS 84 HA HIS 84 -9.245 -3.253 -15.107 660 1HB HIS 84 2HB HIS 84 -8.355 -4.989 -12.888 661 2HB HIS 84 1HB HIS 84 -10.095 -4.930 -13.151 662 HD2 HIS 84 2HD HIS 84 -6.996 -5.459 -15.560 663 HE1 HIS 84 1HE HIS 84 -10.135 -8.111 -16.570 664 HE2 HIS 84 2HE HIS 84 -7.720 -7.482 -17.013 665 H HIS 85 H HIS 85 -9.931 -1.050 -14.700 666 HA HIS 85 HA HIS 85 -11.285 0.535 -13.800 667 1HB HIS 85 2HB HIS 85 -12.615 -2.047 -13.153 668 2HB HIS 85 1HB HIS 85 -13.239 -0.596 -12.375 669 HD2 HIS 85 2HD HIS 85 -15.317 -1.794 -14.331 670 HE1 HIS 85 1HE HIS 85 -13.821 0.888 -17.243 671 HE2 HIS 85 2HE HIS 85 -15.821 -0.488 -16.515 672 H HIS 86 H HIS 86 -12.448 -0.971 -11.022 673 HA HIS 86 HA HIS 86 -10.948 0.825 -9.340 674 1HB HIS 86 2HB HIS 86 -12.980 -1.267 -8.543 675 2HB HIS 86 1HB HIS 86 -12.407 0.071 -7.554 676 HD2 HIS 86 2HD HIS 86 -14.140 2.091 -7.530 677 HE1 HIS 86 1HE HIS 86 -15.853 1.420 -11.342 678 HE2 HIS 86 2HE HIS 86 -15.779 2.971 -9.337 679 H HIS 87 H HIS 87 -10.737 -2.461 -10.299 680 HA HIS 87 HA HIS 87 -9.323 -4.159 -9.764 681 1HB HIS 87 2HB HIS 87 -7.774 -1.942 -9.845 682 2HB HIS 87 1HB HIS 87 -7.493 -2.450 -8.182 683 HD2 HIS 87 2HD HIS 87 -7.160 -4.028 -11.781 684 HE1 HIS 87 1HE HIS 87 -4.366 -5.796 -9.140 685 HE2 HIS 87 2HE HIS 87 -5.084 -5.569 -11.561 686 H HIS 88 H HIS 88 -11.498 -3.657 -8.028 687 HA HIS 88 HA HIS 88 -10.704 -3.781 -5.297 688 1HB HIS 88 2HB HIS 88 -13.011 -3.153 -6.395 689 2HB HIS 88 1HB HIS 88 -13.322 -4.879 -6.253 690 HD2 HIS 88 2HD HIS 88 -13.024 -1.717 -4.042 691 HE1 HIS 88 1HE HIS 88 -14.163 -4.988 -1.609 692 HE2 HIS 88 2HE HIS 88 -14.010 -2.461 -1.761 693 H HIS 89 H HIS 89 -9.967 -5.453 -4.173 694 HA HIS 89 HA HIS 89 -9.284 -7.552 -3.625 695 1HB HIS 89 2HB HIS 89 -12.021 -7.633 -3.942 696 2HB HIS 89 1HB HIS 89 -11.477 -8.974 -4.944 697 HD2 HIS 89 2HD HIS 89 -10.462 -7.834 -1.289 698 HE1 HIS 89 1HE HIS 89 -11.174 -12.003 -1.403 699 HE2 HIS 89 2HE HIS 89 -10.352 -10.071 0.017 Start of MODEL 13 1 1H MET 1 1HT MET 1 -22.410 -1.758 -0.984 2 2H MET 1 2HT MET 1 -21.460 -0.408 -0.614 3 3H MET 1 3HT MET 1 -22.414 -1.125 0.585 4 HA MET 1 HA MET 1 -20.006 -1.658 0.737 5 1HB MET 1 2HB MET 1 -22.288 -3.532 0.638 6 2HB MET 1 1HB MET 1 -20.700 -4.284 0.628 7 1HG MET 1 2HG MET 1 -20.736 -2.252 2.620 8 2HG MET 1 1HG MET 1 -22.155 -3.280 2.823 9 1HE MET 1 1HE MET 1 -21.473 -5.074 5.066 10 2HE MET 1 2HE MET 1 -21.051 -3.361 5.076 11 3HE MET 1 3HE MET 1 -19.854 -4.566 5.551 12 H ARG 2 H ARG 2 -18.330 -3.108 -0.039 13 HA ARG 2 HA ARG 2 -18.344 -3.273 -2.967 14 1HB ARG 2 2HB ARG 2 -16.499 -2.130 -1.426 15 2HB ARG 2 1HB ARG 2 -15.875 -3.773 -1.377 16 1HG ARG 2 2HG ARG 2 -14.993 -3.565 -3.396 17 2HG ARG 2 1HG ARG 2 -16.533 -3.033 -4.075 18 1HD ARG 2 2HD ARG 2 -14.769 -1.183 -2.502 19 2HD ARG 2 1HD ARG 2 -14.541 -1.431 -4.232 20 HE ARG 2 HE ARG 2 -16.617 -0.394 -4.631 21 1HH1 ARG 2 1HH1 ARG 2 -15.762 -0.448 -1.252 22 2HH1 ARG 2 2HH1 ARG 2 -16.905 0.776 -0.811 23 1HH2 ARG 2 1HH2 ARG 2 -18.122 1.220 -4.060 24 2HH2 ARG 2 2HH2 ARG 2 -18.246 1.724 -2.407 25 H GLY 3 H GLY 3 -17.017 -5.144 -3.871 26 1HA GLY 3 2HA GLY 3 -17.382 -7.596 -2.287 27 2HA GLY 3 1HA GLY 3 -18.088 -7.498 -3.893 28 H SER 4 H SER 4 -16.746 -9.420 -4.268 29 HA SER 4 HA SER 4 -14.049 -8.626 -5.127 30 1HB SER 4 2HB SER 4 -13.437 -11.093 -4.544 31 2HB SER 4 1HB SER 4 -13.504 -9.899 -3.249 32 HG SER 4 HG SER 4 -15.834 -10.681 -3.137 33 H ASN 5 H ASN 5 -13.357 -9.451 -7.061 34 HA ASN 5 HA ASN 5 -15.414 -10.666 -8.726 35 1HB ASN 5 2HB ASN 5 -12.919 -9.133 -9.209 36 2HB ASN 5 1HB ASN 5 -13.359 -10.324 -10.429 37 1HD2 ASN 5 1HD2 ASN 5 -14.316 -7.394 -8.804 38 2HD2 ASN 5 2HD2 ASN 5 -15.503 -6.906 -9.960 39 H ALA 6 H ALA 6 -12.141 -11.334 -7.568 40 HA ALA 6 HA ALA 6 -12.591 -14.172 -7.886 41 1HB ALA 6 1HB ALA 6 -10.335 -14.358 -9.133 42 2HB ALA 6 2HB ALA 6 -10.628 -12.678 -9.579 43 3HB ALA 6 3HB ALA 6 -11.782 -13.928 -10.045 44 HA PRO 7 HA PRO 7 -10.229 -13.609 -4.085 45 1HB PRO 7 2HB PRO 7 -10.420 -16.208 -3.279 46 2HB PRO 7 1HB PRO 7 -11.709 -15.022 -3.047 47 1HG PRO 7 2HG PRO 7 -11.410 -17.100 -5.186 48 2HG PRO 7 1HG PRO 7 -12.854 -16.650 -4.257 49 1HD PRO 7 2HD PRO 7 -12.455 -15.768 -6.765 50 2HD PRO 7 1HD PRO 7 -13.237 -14.756 -5.532 51 H GLN 8 H GLN 8 -8.107 -13.878 -3.613 52 HA GLN 8 HA GLN 8 -6.486 -15.334 -5.542 53 1HB GLN 8 2HB GLN 8 -5.692 -13.489 -3.282 54 2HB GLN 8 1HB GLN 8 -4.576 -14.208 -4.435 55 1HG GLN 8 2HG GLN 8 -5.990 -13.065 -6.232 56 2HG GLN 8 1HG GLN 8 -6.673 -12.124 -4.909 57 1HE2 GLN 8 1HE2 GLN 8 -3.961 -12.634 -6.948 58 2HE2 GLN 8 2HE2 GLN 8 -3.000 -11.320 -6.372 59 HA PRO 9 HA PRO 9 -6.084 -18.727 -2.685 60 1HB PRO 9 2HB PRO 9 -4.444 -20.267 -4.161 61 2HB PRO 9 1HB PRO 9 -6.147 -20.045 -4.576 62 1HG PRO 9 2HG PRO 9 -3.724 -18.746 -5.748 63 2HG PRO 9 1HG PRO 9 -5.177 -19.350 -6.563 64 1HD PRO 9 2HD PRO 9 -4.730 -16.706 -5.970 65 2HD PRO 9 1HD PRO 9 -6.341 -17.421 -6.174 66 H SER 10 H SER 10 -3.059 -17.785 -4.347 67 HA SER 10 HA SER 10 -1.574 -18.331 -1.893 68 1HB SER 10 2HB SER 10 -0.967 -18.369 -4.738 69 2HB SER 10 1HB SER 10 0.245 -17.477 -3.820 70 HG SER 10 HG SER 10 0.949 -19.488 -3.600 71 H HIS 11 H HIS 11 -0.441 -16.815 -0.752 72 HA HIS 11 HA HIS 11 -0.507 -14.041 -1.687 73 1HB HIS 11 2HB HIS 11 -0.973 -13.605 0.928 74 2HB HIS 11 1HB HIS 11 -2.254 -13.711 -0.273 75 HD2 HIS 11 2HD HIS 11 -4.237 -15.130 0.800 76 HE1 HIS 11 1HE HIS 11 -1.861 -18.026 2.770 77 HE2 HIS 11 2HE HIS 11 -4.219 -17.174 2.398 78 H ILE 12 H ILE 12 0.662 -12.711 0.272 79 HA ILE 12 HA ILE 12 3.293 -13.999 0.508 80 HB ILE 12 HB ILE 12 3.448 -11.926 -0.653 81 1HG1 ILE 12 2HG1 ILE 12 4.278 -10.708 1.863 82 2HG1 ILE 12 1HG1 ILE 12 4.799 -12.387 1.738 83 1HG2 ILE 12 1HG2 ILE 12 1.457 -11.062 1.324 84 2HG2 ILE 12 2HG2 ILE 12 1.667 -10.588 -0.360 85 3HG2 ILE 12 3HG2 ILE 12 2.664 -9.850 0.894 86 1HD1 ILE 12 1HD1 ILE 12 5.721 -10.018 0.303 87 2HD1 ILE 12 2HD1 ILE 12 5.460 -11.434 -0.716 88 3HD1 ILE 12 3HD1 ILE 12 6.554 -11.529 0.664 89 H SER 13 H SER 13 4.457 -13.931 2.469 90 HA SER 13 HA SER 13 3.062 -14.470 4.801 91 1HB SER 13 2HB SER 13 5.824 -14.118 4.041 92 2HB SER 13 1HB SER 13 5.530 -13.361 5.608 93 HG SER 13 HG SER 13 5.434 -15.278 6.442 94 H LYS 14 H LYS 14 4.568 -11.430 3.753 95 HA LYS 14 HA LYS 14 2.586 -9.909 5.170 96 1HB LYS 14 2HB LYS 14 4.423 -8.596 6.412 97 2HB LYS 14 1HB LYS 14 3.910 -10.141 7.076 98 1HG LYS 14 2HG LYS 14 5.870 -11.208 6.453 99 2HG LYS 14 1HG LYS 14 6.266 -9.986 5.241 100 1HD LYS 14 2HD LYS 14 6.134 -9.286 8.154 101 2HD LYS 14 1HD LYS 14 7.587 -10.007 7.460 102 1HE LYS 14 2HE LYS 14 7.296 -8.115 5.669 103 2HE LYS 14 1HE LYS 14 6.354 -7.340 6.942 104 1HZ LYS 14 1HZ LYS 14 8.430 -7.910 8.372 105 2HZ LYS 14 2HZ LYS 14 8.445 -6.550 7.368 106 3HZ LYS 14 3HZ LYS 14 9.221 -7.969 6.878 107 H TYR 15 H TYR 15 2.407 -7.836 4.445 108 HA TYR 15 HA TYR 15 4.238 -7.007 2.289 109 1HB TYR 15 2HB TYR 15 1.461 -7.500 2.177 110 2HB TYR 15 1HB TYR 15 1.639 -5.751 2.140 111 HD1 TYR 15 1HD TYR 15 0.895 -8.134 0.027 112 HD2 TYR 15 2HD TYR 15 4.102 -5.394 0.582 113 HE1 TYR 15 1HE TYR 15 1.396 -8.245 -2.376 114 HE2 TYR 15 2HE TYR 15 4.611 -5.498 -1.821 115 HH TYR 15 HH TYR 15 4.025 -6.323 -3.796 116 H ILE 16 H ILE 16 5.152 -5.005 2.517 117 HA ILE 16 HA ILE 16 4.125 -3.333 4.717 118 HB ILE 16 HB ILE 16 6.943 -3.681 3.715 119 1HG1 ILE 16 2HG1 ILE 16 6.097 -5.224 5.469 120 2HG1 ILE 16 1HG1 ILE 16 7.425 -4.218 6.035 121 1HG2 ILE 16 1HG2 ILE 16 5.752 -1.244 4.586 122 2HG2 ILE 16 2HG2 ILE 16 7.442 -1.565 4.192 123 3HG2 ILE 16 3HG2 ILE 16 6.864 -1.796 5.841 124 1HD1 ILE 16 1HD1 ILE 16 5.267 -2.724 6.749 125 2HD1 ILE 16 2HD1 ILE 16 6.109 -3.862 7.802 126 3HD1 ILE 16 3HD1 ILE 16 4.653 -4.366 6.944 127 H LEU 17 H LEU 17 3.537 -1.319 4.320 128 HA LEU 17 HA LEU 17 3.941 -0.287 1.596 129 1HB LEU 17 2HB LEU 17 1.586 -0.707 2.796 130 2HB LEU 17 1HB LEU 17 1.922 0.898 3.417 131 HG LEU 17 HG LEU 17 2.425 1.101 0.681 132 1HD1 LEU 17 1HD1 LEU 17 0.912 -1.163 0.943 133 2HD1 LEU 17 2HD1 LEU 17 0.983 -0.140 -0.492 134 3HD1 LEU 17 3HD1 LEU 17 -0.313 0.079 0.684 135 1HD2 LEU 17 1HD2 LEU 17 0.104 1.903 2.419 136 2HD2 LEU 17 2HD2 LEU 17 0.251 2.395 0.731 137 3HD2 LEU 17 3HD2 LEU 17 1.475 2.885 1.902 138 H ARG 18 H ARG 18 5.497 1.199 1.504 139 HA ARG 18 HA ARG 18 5.828 2.993 3.813 140 1HB ARG 18 2HB ARG 18 7.802 1.669 2.018 141 2HB ARG 18 1HB ARG 18 8.191 3.271 2.631 142 1HG ARG 18 2HG ARG 18 8.556 2.528 4.718 143 2HG ARG 18 1HG ARG 18 7.230 1.365 4.648 144 1HD ARG 18 2HD ARG 18 8.563 -0.199 3.442 145 2HD ARG 18 1HD ARG 18 9.841 0.992 3.198 146 HE ARG 18 HE ARG 18 9.700 0.820 5.883 147 1HH1 ARG 18 1HH1 ARG 18 9.949 -1.587 3.378 148 2HH1 ARG 18 2HH1 ARG 18 10.842 -2.701 4.357 149 1HH2 ARG 18 1HH2 ARG 18 10.875 -0.641 7.182 150 2HH2 ARG 18 2HH2 ARG 18 11.368 -2.164 6.519 151 H TRP 19 H TRP 19 5.517 5.111 3.476 152 HA TRP 19 HA TRP 19 5.962 6.234 0.852 153 1HB TRP 19 2HB TRP 19 3.763 7.058 0.472 154 2HB TRP 19 1HB TRP 19 3.614 5.339 0.816 155 HD1 TRP 19 HD TRP 19 2.425 8.698 1.967 156 HE1 TRP 19 1HE TRP 19 0.852 8.418 3.985 157 HE3 TRP 19 3HE TRP 19 3.302 3.770 3.006 158 HZ2 TRP 19 2HZ TRP 19 0.084 6.380 5.779 159 HZ3 TRP 19 3HZ TRP 19 2.108 2.731 4.889 160 HH2 TRP 19 HH TRP 19 0.533 4.011 6.247 161 H ARG 20 H ARG 20 5.752 8.522 0.768 162 HA ARG 20 HA ARG 20 5.535 10.087 3.158 163 1HB ARG 20 2HB ARG 20 7.818 10.998 3.066 164 2HB ARG 20 1HB ARG 20 7.834 9.273 3.402 165 1HG ARG 20 2HG ARG 20 9.348 9.124 1.781 166 2HG ARG 20 1HG ARG 20 8.008 9.367 0.660 167 1HD ARG 20 2HD ARG 20 8.564 11.536 0.247 168 2HD ARG 20 1HD ARG 20 9.243 11.782 1.855 169 HE ARG 20 HE ARG 20 11.070 10.182 0.857 170 1HH1 ARG 20 1HH1 ARG 20 9.426 12.829 -0.706 171 2HH1 ARG 20 2HH1 ARG 20 10.752 13.200 -1.755 172 1HH2 ARG 20 1HH2 ARG 20 12.821 10.667 -0.524 173 2HH2 ARG 20 2HH2 ARG 20 12.679 11.973 -1.654 174 HA PRO 21 HA PRO 21 4.283 13.184 0.281 175 1HB PRO 21 2HB PRO 21 6.183 15.087 1.563 176 2HB PRO 21 1HB PRO 21 4.443 15.245 1.288 177 1HG PRO 21 2HG PRO 21 5.328 14.725 3.723 178 2HG PRO 21 1HG PRO 21 3.905 13.869 3.092 179 1HD PRO 21 2HD PRO 21 6.736 12.905 3.318 180 2HD PRO 21 1HD PRO 21 5.225 12.058 3.716 181 H LYS 22 H LYS 22 4.900 13.043 -1.764 182 HA LYS 22 HA LYS 22 7.522 12.712 -2.681 183 1HB LYS 22 2HB LYS 22 5.403 12.128 -3.909 184 2HB LYS 22 1HB LYS 22 5.215 13.838 -4.271 185 1HG LYS 22 2HG LYS 22 7.500 13.726 -5.349 186 2HG LYS 22 1HG LYS 22 7.371 11.971 -5.209 187 1HD LYS 22 2HD LYS 22 4.943 12.864 -6.315 188 2HD LYS 22 1HD LYS 22 6.226 13.724 -7.170 189 1HE LYS 22 2HE LYS 22 6.401 10.768 -6.715 190 2HE LYS 22 1HE LYS 22 5.447 11.416 -8.048 191 1HZ LYS 22 1HZ LYS 22 8.270 11.134 -7.826 192 2HZ LYS 22 2HZ LYS 22 7.850 12.733 -8.182 193 3HZ LYS 22 3HZ LYS 22 7.330 11.479 -9.191 194 H ASN 23 H ASN 23 5.531 15.601 -2.330 195 HA ASN 23 HA ASN 23 7.359 17.355 -3.631 196 1HB ASN 23 2HB ASN 23 4.997 17.791 -1.815 197 2HB ASN 23 1HB ASN 23 5.978 19.135 -2.391 198 1HD2 ASN 23 1HD2 ASN 23 4.289 20.023 -3.552 199 2HD2 ASN 23 2HD2 ASN 23 3.699 19.319 -5.015 200 H SER 24 H SER 24 7.054 16.117 -0.404 201 HA SER 24 HA SER 24 9.005 18.042 0.623 202 1HB SER 24 2HB SER 24 6.771 16.970 1.786 203 2HB SER 24 1HB SER 24 8.040 15.937 2.442 204 HG SER 24 HG SER 24 7.469 18.032 3.552 205 H VAL 25 H VAL 25 10.209 16.473 2.585 206 HA VAL 25 HA VAL 25 11.447 14.213 1.229 207 HB VAL 25 HB VAL 25 13.743 15.180 1.972 208 1HG1 VAL 25 1HG1 VAL 25 12.163 15.546 -0.458 209 2HG1 VAL 25 2HG1 VAL 25 13.810 14.953 -0.254 210 3HG1 VAL 25 3HG1 VAL 25 13.497 16.687 -0.294 211 1HG2 VAL 25 1HG2 VAL 25 12.123 17.709 1.684 212 2HG2 VAL 25 2HG2 VAL 25 13.882 17.628 1.783 213 3HG2 VAL 25 3HG2 VAL 25 12.898 17.123 3.155 214 H GLY 26 H GLY 26 11.336 12.625 2.664 215 1HA GLY 26 2HA GLY 26 12.233 11.609 4.645 216 2HA GLY 26 1HA GLY 26 12.176 13.179 5.429 217 H ARG 27 H ARG 27 11.196 11.404 6.974 218 HA ARG 27 HA ARG 27 9.396 10.730 8.178 219 1HB ARG 27 2HB ARG 27 8.117 12.980 6.630 220 2HB ARG 27 1HB ARG 27 7.283 12.091 7.899 221 1HG ARG 27 2HG ARG 27 9.496 12.764 9.235 222 2HG ARG 27 1HG ARG 27 9.435 14.102 8.087 223 1HD ARG 27 2HD ARG 27 7.136 14.584 8.776 224 2HD ARG 27 1HD ARG 27 7.200 13.247 9.924 225 HE ARG 27 HE ARG 27 8.751 14.495 11.228 226 1HH1 ARG 27 1HH1 ARG 27 7.399 16.255 8.541 227 2HH1 ARG 27 2HH1 ARG 27 7.813 17.809 9.184 228 1HH2 ARG 27 1HH2 ARG 27 9.297 16.538 12.084 229 2HH2 ARG 27 2HH2 ARG 27 8.893 17.970 11.198 230 H TRP 28 H TRP 28 9.310 8.671 7.277 231 HA TRP 28 HA TRP 28 7.432 8.259 5.062 232 1HB TRP 28 2HB TRP 28 9.410 6.342 6.316 233 2HB TRP 28 1HB TRP 28 8.383 5.988 4.931 234 HD1 TRP 28 HD TRP 28 11.194 8.502 5.865 235 HE1 TRP 28 1HE TRP 28 12.569 8.972 3.741 236 HE3 TRP 28 3HE TRP 28 8.486 5.742 2.520 237 HZ2 TRP 28 2HZ TRP 28 12.511 8.267 1.008 238 HZ3 TRP 28 3HZ TRP 28 9.212 5.693 0.169 239 HH2 TRP 28 HH TRP 28 11.184 6.930 -0.569 240 H LYS 29 H LYS 29 6.431 5.836 5.394 241 HA LYS 29 HA LYS 29 5.454 5.476 8.104 242 1HB LYS 29 2HB LYS 29 3.976 7.168 6.711 243 2HB LYS 29 1HB LYS 29 3.349 5.691 5.991 244 1HG LYS 29 2HG LYS 29 2.099 5.247 7.774 245 2HG LYS 29 1HG LYS 29 3.445 5.527 8.880 246 1HD LYS 29 2HD LYS 29 3.038 8.007 8.513 247 2HD LYS 29 1HD LYS 29 1.522 7.540 7.739 248 1HE LYS 29 2HE LYS 29 0.537 7.047 9.696 249 2HE LYS 29 1HE LYS 29 1.986 6.273 10.338 250 1HZ LYS 29 1HZ LYS 29 0.987 8.867 10.848 251 2HZ LYS 29 2HZ LYS 29 2.541 8.980 10.190 252 3HZ LYS 29 3HZ LYS 29 2.279 8.061 11.585 253 H GLU 30 H GLU 30 4.605 3.391 8.457 254 HA GLU 30 HA GLU 30 4.950 1.558 6.176 255 1HB GLU 30 2HB GLU 30 5.253 0.436 8.887 256 2HB GLU 30 1HB GLU 30 6.162 0.103 7.421 257 1HG GLU 30 2HG GLU 30 7.795 1.478 8.018 258 2HG GLU 30 1HG GLU 30 6.665 2.776 8.399 259 H ALA 31 H ALA 31 3.444 0.039 5.794 260 HA ALA 31 HA ALA 31 1.252 -0.319 7.705 261 1HB ALA 31 1HB ALA 31 0.615 -0.043 4.793 262 2HB ALA 31 2HB ALA 31 0.752 1.390 5.813 263 3HB ALA 31 3HB ALA 31 -0.441 0.148 6.192 264 H THR 32 H THR 32 1.318 -2.419 8.165 265 HA THR 32 HA THR 32 2.279 -4.324 6.199 266 HB THR 32 HB THR 32 1.296 -5.133 8.907 267 HG1 THR 32 1HG THR 32 2.921 -4.159 9.870 268 1HG2 THR 32 1HG2 THR 32 2.998 -6.831 8.703 269 2HG2 THR 32 2HG2 THR 32 3.632 -6.076 7.241 270 3HG2 THR 32 3HG2 THR 32 2.033 -6.819 7.226 271 H ILE 33 H ILE 33 1.121 -5.872 5.213 272 HA ILE 33 HA ILE 33 -1.697 -6.226 5.918 273 HB ILE 33 HB ILE 33 -1.355 -6.356 3.048 274 1HG1 ILE 33 2HG1 ILE 33 -0.963 -3.622 4.280 275 2HG1 ILE 33 1HG1 ILE 33 0.341 -4.571 3.576 276 1HG2 ILE 33 1HG2 ILE 33 -3.467 -5.559 3.060 277 2HG2 ILE 33 2HG2 ILE 33 -3.117 -4.342 4.287 278 3HG2 ILE 33 3HG2 ILE 33 -3.392 -6.018 4.761 279 1HD1 ILE 33 1HD1 ILE 33 -2.092 -3.559 2.124 280 2HD1 ILE 33 2HD1 ILE 33 -0.792 -4.516 1.414 281 3HD1 ILE 33 3HD1 ILE 33 -0.462 -2.894 2.023 282 HA PRO 34 HA PRO 34 0.029 -10.381 5.525 283 1HB PRO 34 2HB PRO 34 -2.059 -11.666 6.677 284 2HB PRO 34 1HB PRO 34 -0.832 -10.806 7.613 285 1HG PRO 34 2HG PRO 34 -3.567 -9.899 6.796 286 2HG PRO 34 1HG PRO 34 -2.758 -9.735 8.366 287 1HD PRO 34 2HD PRO 34 -2.891 -7.705 6.583 288 2HD PRO 34 1HD PRO 34 -1.509 -7.923 7.676 289 H GLY 35 H GLY 35 -0.162 -10.308 3.200 290 1HA GLY 35 2HA GLY 35 -0.989 -10.999 1.172 291 2HA GLY 35 1HA GLY 35 -1.737 -12.295 2.095 292 H HIS 36 H HIS 36 -2.414 -8.838 2.320 293 HA HIS 36 HA HIS 36 -4.319 -7.637 2.052 294 1HB HIS 36 2HB HIS 36 -4.133 -9.364 -0.274 295 2HB HIS 36 1HB HIS 36 -5.807 -8.977 0.110 296 HD2 HIS 36 2HD HIS 36 -6.597 -6.769 -1.150 297 HE1 HIS 36 1HE HIS 36 -2.842 -4.822 -1.303 298 HE2 HIS 36 2HE HIS 36 -5.322 -4.598 -1.780 299 H LEU 37 H LEU 37 -5.081 -8.194 4.119 300 HA LEU 37 HA LEU 37 -6.709 -10.474 4.607 301 1HB LEU 37 2HB LEU 37 -7.455 -8.671 6.541 302 2HB LEU 37 1HB LEU 37 -6.148 -9.827 6.671 303 HG LEU 37 HG LEU 37 -4.537 -8.114 5.983 304 1HD1 LEU 37 1HD1 LEU 37 -6.675 -6.828 4.851 305 2HD1 LEU 37 2HD1 LEU 37 -5.074 -6.134 5.100 306 3HD1 LEU 37 3HD1 LEU 37 -6.351 -5.852 6.283 307 1HD2 LEU 37 1HD2 LEU 37 -4.376 -7.738 8.157 308 2HD2 LEU 37 2HD2 LEU 37 -6.086 -8.107 8.384 309 3HD2 LEU 37 3HD2 LEU 37 -5.582 -6.461 7.996 310 H ASN 38 H ASN 38 -7.313 -7.201 3.582 311 HA ASN 38 HA ASN 38 -9.738 -7.706 2.337 312 1HB ASN 38 2HB ASN 38 -11.421 -6.927 3.805 313 2HB ASN 38 1HB ASN 38 -10.444 -8.010 4.789 314 1HD2 ASN 38 1HD2 ASN 38 -8.279 -6.325 5.292 315 2HD2 ASN 38 2HD2 ASN 38 -8.809 -5.034 6.309 316 H SER 39 H SER 39 -10.989 -5.126 2.970 317 HA SER 39 HA SER 39 -9.303 -3.483 1.317 318 1HB SER 39 2HB SER 39 -11.733 -3.383 1.043 319 2HB SER 39 1HB SER 39 -11.918 -2.855 2.716 320 HG SER 39 HG SER 39 -11.736 -0.926 1.915 321 H TYR 40 H TYR 40 -7.519 -2.686 2.243 322 HA TYR 40 HA TYR 40 -7.646 -1.679 4.985 323 1HB TYR 40 2HB TYR 40 -5.809 -3.256 4.128 324 2HB TYR 40 1HB TYR 40 -5.170 -1.856 3.279 325 HD1 TYR 40 1HD TYR 40 -5.660 -3.434 6.533 326 HD2 TYR 40 2HD TYR 40 -4.195 0.013 4.517 327 HE1 TYR 40 1HE TYR 40 -4.462 -2.760 8.570 328 HE2 TYR 40 2HE TYR 40 -2.992 0.697 6.551 329 HH TYR 40 HH TYR 40 -2.273 -0.007 8.589 330 H THR 41 H THR 41 -7.728 0.420 5.444 331 HA THR 41 HA THR 41 -7.490 2.327 3.235 332 HB THR 41 HB THR 41 -9.575 2.434 4.494 333 HG1 THR 41 1HG THR 41 -8.201 4.731 5.350 334 1HG2 THR 41 1HG2 THR 41 -9.495 3.266 6.866 335 2HG2 THR 41 2HG2 THR 41 -7.766 2.919 6.858 336 3HG2 THR 41 3HG2 THR 41 -8.930 1.611 6.643 337 H ILE 42 H ILE 42 -6.236 4.174 3.353 338 HA ILE 42 HA ILE 42 -4.072 4.083 5.346 339 HB ILE 42 HB ILE 42 -4.135 5.163 2.531 340 1HG1 ILE 42 2HG1 ILE 42 -3.680 2.755 2.806 341 2HG1 ILE 42 1HG1 ILE 42 -2.282 3.617 2.173 342 1HG2 ILE 42 1HG2 ILE 42 -2.697 6.749 3.120 343 2HG2 ILE 42 2HG2 ILE 42 -1.543 5.473 3.502 344 3HG2 ILE 42 3HG2 ILE 42 -2.588 6.122 4.765 345 1HD1 ILE 42 1HD1 ILE 42 -2.527 2.016 4.543 346 2HD1 ILE 42 2HD1 ILE 42 -1.965 3.640 4.942 347 3HD1 ILE 42 3HD1 ILE 42 -1.081 2.665 3.767 348 H LYS 43 H LYS 43 -3.652 5.843 6.598 349 HA LYS 43 HA LYS 43 -5.551 7.617 7.355 350 1HB LYS 43 2HB LYS 43 -2.797 7.283 7.842 351 2HB LYS 43 1HB LYS 43 -3.017 8.980 7.444 352 1HG LYS 43 2HG LYS 43 -3.173 8.616 9.839 353 2HG LYS 43 1HG LYS 43 -4.711 9.181 9.186 354 1HD LYS 43 2HD LYS 43 -4.971 7.354 10.835 355 2HD LYS 43 1HD LYS 43 -5.611 6.943 9.244 356 1HE LYS 43 2HE LYS 43 -4.312 5.112 10.328 357 2HE LYS 43 1HE LYS 43 -3.696 5.595 8.749 358 1HZ LYS 43 1HZ LYS 43 -1.771 6.251 9.627 359 2HZ LYS 43 2HZ LYS 43 -2.220 5.373 11.002 360 3HZ LYS 43 3HZ LYS 43 -2.507 7.038 10.932 361 H GLY 44 H GLY 44 -6.340 9.571 6.757 362 1HA GLY 44 2HA GLY 44 -6.393 10.325 4.104 363 2HA GLY 44 1HA GLY 44 -6.792 11.393 5.439 364 H LEU 45 H LEU 45 -5.133 11.410 2.763 365 HA LEU 45 HA LEU 45 -2.593 12.431 3.709 366 1HB LEU 45 2HB LEU 45 -3.763 12.227 0.932 367 2HB LEU 45 1HB LEU 45 -2.143 12.791 1.284 368 HG LEU 45 HG LEU 45 -1.877 10.565 0.590 369 1HD1 LEU 45 1HD1 LEU 45 -1.979 10.010 3.507 370 2HD1 LEU 45 2HD1 LEU 45 -0.914 11.292 2.930 371 3HD1 LEU 45 3HD1 LEU 45 -0.721 9.646 2.326 372 1HD2 LEU 45 1HD2 LEU 45 -4.003 9.644 0.549 373 2HD2 LEU 45 2HD2 LEU 45 -4.308 10.018 2.245 374 3HD2 LEU 45 3HD2 LEU 45 -3.196 8.720 1.815 375 H LYS 46 H LYS 46 -2.831 14.335 1.231 376 HA LYS 46 HA LYS 46 -4.455 16.424 2.490 377 1HB LYS 46 2HB LYS 46 -2.369 17.083 3.295 378 2HB LYS 46 1HB LYS 46 -1.533 16.558 1.842 379 1HG LYS 46 2HG LYS 46 -2.451 18.435 0.605 380 2HG LYS 46 1HG LYS 46 -3.359 18.946 2.032 381 1HD LYS 46 2HD LYS 46 -1.561 19.911 2.972 382 2HD LYS 46 1HD LYS 46 -0.494 18.583 2.512 383 1HE LYS 46 2HE LYS 46 -0.625 19.526 0.144 384 2HE LYS 46 1HE LYS 46 -1.326 20.965 0.881 385 1HZ LYS 46 1HZ LYS 46 0.921 21.441 0.788 386 2HZ LYS 46 2HZ LYS 46 1.393 19.870 1.197 387 3HZ LYS 46 3HZ LYS 46 0.737 20.889 2.377 388 HA PRO 47 HA PRO 47 -5.889 16.529 -1.762 389 1HB PRO 47 2HB PRO 47 -7.264 18.972 -0.798 390 2HB PRO 47 1HB PRO 47 -7.934 17.536 -1.578 391 1HG PRO 47 2HG PRO 47 -8.299 17.978 1.028 392 2HG PRO 47 1HG PRO 47 -8.026 16.340 0.404 393 1HD PRO 47 2HD PRO 47 -6.119 18.183 1.794 394 2HD PRO 47 1HD PRO 47 -6.324 16.428 1.975 395 H GLY 48 H GLY 48 -4.381 17.201 -3.171 396 1HA GLY 48 2HA GLY 48 -3.900 19.212 -4.564 397 2HA GLY 48 1HA GLY 48 -3.558 20.038 -3.051 398 H VAL 49 H VAL 49 -2.267 17.522 -2.018 399 HA VAL 49 HA VAL 49 0.260 17.764 -3.517 400 HB VAL 49 HB VAL 49 0.233 18.762 -1.181 401 1HG1 VAL 49 1HG1 VAL 49 -0.244 17.551 0.627 402 2HG1 VAL 49 2HG1 VAL 49 0.726 16.186 0.077 403 3HG1 VAL 49 3HG1 VAL 49 -0.935 16.371 -0.487 404 1HG2 VAL 49 1HG2 VAL 49 2.449 18.457 -1.124 405 2HG2 VAL 49 2HG2 VAL 49 2.207 17.510 -2.593 406 3HG2 VAL 49 3HG2 VAL 49 2.301 16.701 -1.028 407 H VAL 50 H VAL 50 1.314 15.936 -4.098 408 HA VAL 50 HA VAL 50 -0.122 13.425 -3.666 409 HB VAL 50 HB VAL 50 2.141 14.010 -5.578 410 1HG1 VAL 50 1HG1 VAL 50 0.879 11.893 -6.623 411 2HG1 VAL 50 2HG1 VAL 50 0.577 11.592 -4.912 412 3HG1 VAL 50 3HG1 VAL 50 2.232 11.748 -5.502 413 1HG2 VAL 50 1HG2 VAL 50 0.628 15.079 -6.808 414 2HG2 VAL 50 2HG2 VAL 50 -0.666 14.649 -5.689 415 3HG2 VAL 50 3HG2 VAL 50 -0.222 13.544 -6.989 416 H TYR 51 H TYR 51 0.747 11.652 -2.712 417 HA TYR 51 HA TYR 51 3.305 12.043 -1.317 418 1HB TYR 51 2HB TYR 51 0.912 10.306 -0.718 419 2HB TYR 51 1HB TYR 51 2.458 10.086 0.094 420 HD1 TYR 51 1HD TYR 51 -0.036 12.772 -0.641 421 HD2 TYR 51 2HD TYR 51 2.819 11.192 2.090 422 HE1 TYR 51 1HE TYR 51 -0.665 14.489 1.001 423 HE2 TYR 51 2HE TYR 51 2.197 12.906 3.740 424 HH TYR 51 HH TYR 51 -0.324 15.309 3.033 425 H GLU 52 H GLU 52 5.017 10.819 -1.827 426 HA GLU 52 HA GLU 52 4.727 8.825 -3.918 427 1HB GLU 52 2HB GLU 52 7.131 8.799 -4.022 428 2HB GLU 52 1HB GLU 52 6.602 10.471 -3.929 429 1HG GLU 52 2HG GLU 52 7.394 10.743 -1.778 430 2HG GLU 52 1HG GLU 52 7.370 9.013 -1.440 431 H GLY 53 H GLY 53 4.955 6.618 -3.674 432 1HA GLY 53 2HA GLY 53 5.773 5.602 -1.053 433 2HA GLY 53 1HA GLY 53 4.147 5.229 -1.586 434 H GLN 54 H GLN 54 6.150 3.355 -0.954 435 HA GLN 54 HA GLN 54 6.354 1.937 -3.509 436 1HB GLN 54 2HB GLN 54 8.542 1.083 -1.976 437 2HB GLN 54 1HB GLN 54 8.592 2.052 -3.444 438 1HG GLN 54 2HG GLN 54 8.433 4.086 -2.084 439 2HG GLN 54 1HG GLN 54 8.448 3.095 -0.626 440 1HE2 GLN 54 1HE2 GLN 54 10.306 5.167 -1.549 441 2HE2 GLN 54 2HE2 GLN 54 11.862 4.418 -1.597 442 H LEU 55 H LEU 55 5.985 -0.292 -3.354 443 HA LEU 55 HA LEU 55 5.026 -1.174 -0.714 444 1HB LEU 55 2HB LEU 55 3.925 -1.363 -3.336 445 2HB LEU 55 1HB LEU 55 4.260 -2.987 -2.769 446 HG LEU 55 HG LEU 55 2.503 -0.937 -1.418 447 1HD1 LEU 55 1HD1 LEU 55 0.689 -2.210 -2.073 448 2HD1 LEU 55 2HD1 LEU 55 1.669 -3.648 -2.359 449 3HD1 LEU 55 3HD1 LEU 55 1.738 -2.296 -3.488 450 1HD2 LEU 55 1HD2 LEU 55 3.785 -3.384 -0.413 451 2HD2 LEU 55 2HD2 LEU 55 2.052 -3.262 -0.108 452 3HD2 LEU 55 3HD2 LEU 55 3.139 -1.995 0.462 453 H ILE 56 H ILE 56 6.616 -2.234 0.313 454 HA ILE 56 HA ILE 56 8.396 -3.993 -1.190 455 HB ILE 56 HB ILE 56 8.436 -3.122 1.703 456 1HG1 ILE 56 2HG1 ILE 56 10.770 -2.294 0.708 457 2HG1 ILE 56 1HG1 ILE 56 9.846 -2.300 -0.790 458 1HG2 ILE 56 1HG2 ILE 56 9.738 -5.365 0.381 459 2HG2 ILE 56 2HG2 ILE 56 9.579 -5.001 2.099 460 3HG2 ILE 56 3HG2 ILE 56 10.882 -4.270 1.160 461 1HD1 ILE 56 1HD1 ILE 56 8.127 -0.972 0.743 462 2HD1 ILE 56 2HD1 ILE 56 9.430 -0.180 -0.143 463 3HD1 ILE 56 3HD1 ILE 56 9.625 -0.546 1.572 464 H SER 57 H SER 57 8.410 -6.185 -1.008 465 HA SER 57 HA SER 57 6.315 -7.362 0.687 466 1HB SER 57 2HB SER 57 5.413 -8.293 -1.117 467 2HB SER 57 1HB SER 57 6.601 -7.452 -2.118 468 HG SER 57 HG SER 57 6.809 -9.636 -2.503 469 H ILE 58 H ILE 58 7.042 -8.588 2.201 470 HA ILE 58 HA ILE 58 9.608 -9.985 1.844 471 HB ILE 58 HB ILE 58 8.441 -9.442 4.547 472 1HG1 ILE 58 2HG1 ILE 58 9.835 -7.503 2.721 473 2HG1 ILE 58 1HG1 ILE 58 8.434 -7.245 3.750 474 1HG2 ILE 58 1HG2 ILE 58 10.423 -10.155 5.308 475 2HG2 ILE 58 2HG2 ILE 58 11.324 -9.270 4.076 476 3HG2 ILE 58 3HG2 ILE 58 10.618 -10.841 3.694 477 1HD1 ILE 58 1HD1 ILE 58 11.325 -7.300 4.502 478 2HD1 ILE 58 2HD1 ILE 58 10.066 -7.571 5.706 479 3HD1 ILE 58 3HD1 ILE 58 10.113 -6.056 4.806 480 H GLN 59 H GLN 59 9.592 -12.136 1.882 481 HA GLN 59 HA GLN 59 7.195 -13.482 2.937 482 1HB GLN 59 2HB GLN 59 7.603 -15.258 1.267 483 2HB GLN 59 1HB GLN 59 7.278 -13.697 0.527 484 1HG GLN 59 2HG GLN 59 9.583 -13.383 0.005 485 2HG GLN 59 1HG GLN 59 10.041 -14.804 0.944 486 1HE2 GLN 59 1HE2 GLN 59 8.839 -16.846 0.215 487 2HE2 GLN 59 2HE2 GLN 59 8.785 -17.113 -1.491 488 H GLN 60 H GLN 60 7.864 -16.011 3.110 489 HA GLN 60 HA GLN 60 9.663 -16.091 5.317 490 1HB GLN 60 2HB GLN 60 9.236 -18.576 5.199 491 2HB GLN 60 1HB GLN 60 7.806 -17.569 5.385 492 1HG GLN 60 2HG GLN 60 7.314 -17.791 3.021 493 2HG GLN 60 1HG GLN 60 8.777 -18.747 2.791 494 1HE2 GLN 60 1HE2 GLN 60 8.873 -20.844 3.669 495 2HE2 GLN 60 2HE2 GLN 60 7.435 -21.717 4.066 496 H TYR 61 H TYR 61 10.268 -16.018 2.062 497 HA TYR 61 HA TYR 61 12.627 -17.753 2.247 498 1HB TYR 61 2HB TYR 61 10.921 -16.797 0.017 499 2HB TYR 61 1HB TYR 61 12.636 -16.993 -0.332 500 HD1 TYR 61 1HD TYR 61 13.702 -19.232 -0.019 501 HD2 TYR 61 2HD TYR 61 9.492 -18.679 0.238 502 HE1 TYR 61 1HE TYR 61 13.374 -21.651 -0.313 503 HE2 TYR 61 2HE TYR 61 9.151 -21.098 -0.056 504 HH TYR 61 HH TYR 61 10.920 -23.070 -1.294 505 H GLY 62 H GLY 62 11.816 -14.579 2.700 506 1HA GLY 62 2HA GLY 62 13.259 -12.833 3.232 507 2HA GLY 62 1HA GLY 62 14.594 -13.776 2.592 508 H HIS 63 H HIS 63 11.898 -13.509 0.498 509 HA HIS 63 HA HIS 63 13.409 -12.130 -1.466 510 1HB HIS 63 2HB HIS 63 10.984 -13.561 -1.394 511 2HB HIS 63 1HB HIS 63 10.578 -11.944 -1.966 512 HD2 HIS 63 2HD HIS 63 12.000 -11.152 -4.330 513 HE1 HIS 63 1HE HIS 63 12.853 -15.159 -5.389 514 HE2 HIS 63 2HE HIS 63 12.993 -12.738 -6.126 515 H GLN 64 H GLN 64 12.303 -10.156 -2.609 516 HA GLN 64 HA GLN 64 11.132 -8.266 -0.751 517 1HB GLN 64 2HB GLN 64 13.939 -8.063 -1.742 518 2HB GLN 64 1HB GLN 64 13.004 -6.587 -1.553 519 1HG GLN 64 2HG GLN 64 12.813 -8.342 0.754 520 2HG GLN 64 1HG GLN 64 14.469 -7.846 0.400 521 1HE2 GLN 64 1HE2 GLN 64 13.649 -6.979 2.693 522 2HE2 GLN 64 2HE2 GLN 64 13.187 -5.315 2.662 523 H GLU 65 H GLU 65 9.376 -8.078 -2.070 524 HA GLU 65 HA GLU 65 9.782 -7.253 -4.850 525 1HB GLU 65 2HB GLU 65 8.009 -9.016 -3.769 526 2HB GLU 65 1HB GLU 65 7.037 -7.554 -3.813 527 1HG GLU 65 2HG GLU 65 6.544 -8.180 -5.895 528 2HG GLU 65 1HG GLU 65 8.137 -7.546 -6.301 529 H VAL 66 H VAL 66 9.842 -5.157 -5.288 530 HA VAL 66 HA VAL 66 8.240 -3.353 -3.605 531 HB VAL 66 HB VAL 66 10.386 -2.932 -2.860 532 1HG1 VAL 66 1HG1 VAL 66 12.366 -2.899 -4.177 533 2HG1 VAL 66 2HG1 VAL 66 11.436 -2.938 -5.676 534 3HG1 VAL 66 3HG1 VAL 66 11.450 -4.344 -4.610 535 1HG2 VAL 66 1HG2 VAL 66 10.558 -0.927 -5.036 536 2HG2 VAL 66 2HG2 VAL 66 10.651 -0.712 -3.288 537 3HG2 VAL 66 3HG2 VAL 66 9.085 -0.935 -4.068 538 H THR 67 H THR 67 7.028 -1.886 -4.582 539 HA THR 67 HA THR 67 7.488 -1.242 -7.403 540 HB THR 67 HB THR 67 4.804 -2.050 -6.260 541 HG1 THR 67 1HG THR 67 6.771 -3.402 -7.606 542 1HG2 THR 67 1HG2 THR 67 5.220 -0.190 -8.211 543 2HG2 THR 67 2HG2 THR 67 3.780 -1.201 -8.078 544 3HG2 THR 67 3HG2 THR 67 5.092 -1.672 -9.158 545 H ARG 68 H ARG 68 7.580 0.898 -7.622 546 HA ARG 68 HA ARG 68 6.680 2.626 -5.489 547 1HB ARG 68 2HB ARG 68 7.760 3.618 -8.101 548 2HB ARG 68 1HB ARG 68 7.969 4.281 -6.485 549 1HG ARG 68 2HG ARG 68 9.948 3.295 -6.413 550 2HG ARG 68 1HG ARG 68 9.119 1.741 -6.388 551 1HD ARG 68 2HD ARG 68 9.037 2.252 -9.019 552 2HD ARG 68 1HD ARG 68 10.512 3.121 -8.599 553 HE ARG 68 HE ARG 68 10.094 0.252 -8.541 554 1HH1 ARG 68 1HH1 ARG 68 12.109 2.939 -7.609 555 2HH1 ARG 68 2HH1 ARG 68 13.520 1.964 -7.370 556 1HH2 ARG 68 1HH2 ARG 68 11.946 -1.040 -8.225 557 2HH2 ARG 68 2HH2 ARG 68 13.427 -0.298 -7.720 558 H PHE 69 H PHE 69 5.020 4.046 -5.526 559 HA PHE 69 HA PHE 69 3.482 4.488 -7.949 560 1HB PHE 69 2HB PHE 69 1.358 4.016 -6.498 561 2HB PHE 69 1HB PHE 69 2.201 2.677 -7.268 562 HD1 PHE 69 1HD PHE 69 2.199 0.804 -5.964 563 HD2 PHE 69 2HD PHE 69 2.677 4.592 -4.082 564 HE1 PHE 69 1HE PHE 69 2.424 -0.310 -3.785 565 HE2 PHE 69 2HE PHE 69 2.910 3.482 -1.893 566 HZ PHE 69 HZ PHE 69 2.781 1.026 -1.747 567 H ASP 70 H ASP 70 1.939 6.242 -7.736 568 HA ASP 70 HA ASP 70 2.560 8.048 -5.489 569 1HB ASP 70 2HB ASP 70 1.841 8.892 -8.303 570 2HB ASP 70 1HB ASP 70 2.354 9.935 -6.982 571 H PHE 71 H PHE 71 0.854 8.463 -4.234 572 HA PHE 71 HA PHE 71 -1.791 8.713 -5.439 573 1HB PHE 71 2HB PHE 71 -2.838 7.080 -4.099 574 2HB PHE 71 1HB PHE 71 -1.370 6.301 -4.686 575 HD1 PHE 71 1HD PHE 71 0.538 5.953 -3.177 576 HD2 PHE 71 2HD PHE 71 -3.152 7.549 -1.780 577 HE1 PHE 71 1HE PHE 71 1.216 5.476 -0.861 578 HE2 PHE 71 2HE PHE 71 -2.486 7.078 0.539 579 HZ PHE 71 HZ PHE 71 -0.299 6.036 1.003 580 H THR 72 H THR 72 -3.393 9.601 -4.000 581 HA THR 72 HA THR 72 -2.460 10.837 -1.540 582 HB THR 72 HB THR 72 -2.399 12.969 -2.208 583 HG1 THR 72 1HG THR 72 -4.404 13.626 -2.356 584 1HG2 THR 72 1HG2 THR 72 -2.420 13.390 -4.738 585 2HG2 THR 72 2HG2 THR 72 -2.619 11.644 -4.897 586 3HG2 THR 72 3HG2 THR 72 -1.187 12.301 -4.103 587 H THR 73 H THR 73 -4.333 11.937 -0.401 588 HA THR 73 HA THR 73 -6.427 10.165 -0.026 589 HB THR 73 HB THR 73 -6.121 11.675 1.722 590 HG1 THR 73 1HG THR 73 -8.144 12.965 1.685 591 1HG2 THR 73 1HG2 THR 73 -4.925 13.469 0.922 592 2HG2 THR 73 2HG2 THR 73 -6.497 14.221 1.193 593 3HG2 THR 73 3HG2 THR 73 -6.021 13.734 -0.434 594 H THR 74 H THR 74 -6.462 13.204 -1.893 595 HA THR 74 HA THR 74 -8.816 12.166 -3.332 596 HB THR 74 HB THR 74 -10.016 14.030 -3.008 597 HG1 THR 74 1HG THR 74 -7.717 15.697 -3.141 598 1HG2 THR 74 1HG2 THR 74 -8.024 15.147 -1.089 599 2HG2 THR 74 2HG2 THR 74 -8.747 13.576 -0.745 600 3HG2 THR 74 3HG2 THR 74 -9.775 14.995 -0.936 601 H SER 75 H SER 75 -6.074 14.416 -3.478 602 HA SER 75 HA SER 75 -6.200 14.817 -6.283 603 1HB SER 75 2HB SER 75 -5.032 16.299 -4.571 604 2HB SER 75 1HB SER 75 -3.731 15.109 -4.562 605 HG SER 75 HG SER 75 -4.554 16.838 -6.615 606 H THR 76 H THR 76 -3.887 14.365 -7.447 607 HA THR 76 HA THR 76 -2.653 11.872 -6.942 608 HB THR 76 HB THR 76 -3.722 11.187 -9.425 609 HG1 THR 76 1HG THR 76 -5.423 12.781 -8.775 610 1HG2 THR 76 1HG2 THR 76 -3.179 9.507 -7.870 611 2HG2 THR 76 2HG2 THR 76 -4.934 9.424 -8.022 612 3HG2 THR 76 3HG2 THR 76 -4.207 10.212 -6.622 613 H SER 77 H SER 77 -0.888 11.514 -8.285 614 HA SER 77 HA SER 77 -0.057 13.823 -9.819 615 1HB SER 77 2HB SER 77 1.359 12.282 -8.197 616 2HB SER 77 1HB SER 77 1.592 11.334 -9.665 617 HG SER 77 HG SER 77 3.059 12.741 -10.155 618 H THR 78 H THR 78 1.101 10.762 -10.911 619 HA THR 78 HA THR 78 1.095 9.791 -12.971 620 HB THR 78 HB THR 78 -1.714 10.325 -13.585 621 HG1 THR 78 1HG THR 78 -2.319 10.265 -11.543 622 1HG2 THR 78 1HG2 THR 78 -0.713 7.645 -12.808 623 2HG2 THR 78 2HG2 THR 78 0.028 8.398 -14.220 624 3HG2 THR 78 3HG2 THR 78 -1.714 8.126 -14.178 625 HA PRO 79 HA PRO 79 1.012 13.907 -15.193 626 1HB PRO 79 2HB PRO 79 3.644 14.062 -15.753 627 2HB PRO 79 1HB PRO 79 2.975 14.611 -14.211 628 1HG PRO 79 2HG PRO 79 4.357 12.038 -14.868 629 2HG PRO 79 1HG PRO 79 4.563 13.087 -13.454 630 1HD PRO 79 2HD PRO 79 3.050 10.825 -13.419 631 2HD PRO 79 1HD PRO 79 2.709 12.235 -12.397 632 H GLY 80 H GLY 80 2.542 14.245 -17.376 633 1HA GLY 80 2HA GLY 80 1.603 12.103 -19.119 634 2HA GLY 80 1HA GLY 80 2.200 13.675 -19.630 635 H SER 81 H SER 81 4.243 12.330 -17.337 636 HA SER 81 HA SER 81 5.959 11.146 -19.418 637 1HB SER 81 2HB SER 81 7.917 12.084 -18.175 638 2HB SER 81 1HB SER 81 6.872 13.319 -18.876 639 HG SER 81 HG SER 81 7.426 13.818 -16.723 640 H ARG 82 H ARG 82 8.050 10.523 -17.544 641 HA ARG 82 HA ARG 82 8.736 8.682 -16.406 642 1HB ARG 82 2HB ARG 82 8.021 8.593 -14.186 643 2HB ARG 82 1HB ARG 82 7.716 10.257 -14.655 644 1HG ARG 82 2HG ARG 82 5.575 10.064 -14.135 645 2HG ARG 82 1HG ARG 82 5.398 8.660 -15.190 646 1HD ARG 82 2HD ARG 82 6.805 7.766 -12.932 647 2HD ARG 82 1HD ARG 82 5.500 8.784 -12.322 648 HE ARG 82 HE ARG 82 4.043 7.322 -13.827 649 1HH1 ARG 82 1HH1 ARG 82 6.923 6.213 -12.211 650 2HH1 ARG 82 2HH1 ARG 82 6.392 4.568 -12.114 651 1HH2 ARG 82 1HH2 ARG 82 3.333 5.159 -13.705 652 2HH2 ARG 82 2HH2 ARG 82 4.350 3.968 -12.965 653 H SER 83 H SER 83 6.653 8.270 -18.526 654 HA SER 83 HA SER 83 4.947 6.158 -17.728 655 1HB SER 83 2HB SER 83 5.936 6.411 -20.546 656 2HB SER 83 1HB SER 83 4.321 6.009 -19.963 657 HG SER 83 HG SER 83 4.992 8.292 -20.825 658 H HIS 84 H HIS 84 8.271 6.310 -18.689 659 HA HIS 84 HA HIS 84 8.431 3.372 -18.532 660 1HB HIS 84 2HB HIS 84 10.661 3.971 -19.926 661 2HB HIS 84 1HB HIS 84 9.121 3.587 -20.689 662 HD2 HIS 84 2HD HIS 84 8.281 5.439 -22.426 663 HE1 HIS 84 1HE HIS 84 10.647 8.644 -20.997 664 HE2 HIS 84 2HE HIS 84 8.875 7.951 -22.673 665 H HIS 85 H HIS 85 8.583 4.257 -16.173 666 HA HIS 85 HA HIS 85 10.987 5.451 -15.296 667 1HB HIS 85 2HB HIS 85 8.651 5.029 -14.098 668 2HB HIS 85 1HB HIS 85 9.488 3.604 -13.494 669 HD2 HIS 85 2HD HIS 85 9.263 4.905 -10.952 670 HE1 HIS 85 1HE HIS 85 12.377 7.628 -11.850 671 HE2 HIS 85 2HE HIS 85 10.806 6.784 -10.047 672 H HIS 86 H HIS 86 10.261 2.296 -16.351 673 HA HIS 86 HA HIS 86 12.377 0.992 -14.874 674 1HB HIS 86 2HB HIS 86 10.674 -0.023 -17.160 675 2HB HIS 86 1HB HIS 86 11.750 -1.002 -16.168 676 HD2 HIS 86 2HD HIS 86 10.393 -2.307 -14.286 677 HE1 HIS 86 1HE HIS 86 7.294 0.524 -13.750 678 HE2 HIS 86 2HE HIS 86 8.313 -1.634 -12.893 679 H HIS 87 H HIS 87 13.818 -0.516 -16.364 680 HA HIS 87 HA HIS 87 15.508 1.267 -17.825 681 1HB HIS 87 2HB HIS 87 15.589 -1.637 -17.113 682 2HB HIS 87 1HB HIS 87 16.667 -1.033 -18.367 683 HD2 HIS 87 2HD HIS 87 18.238 1.289 -17.359 684 HE1 HIS 87 1HE HIS 87 18.275 -0.427 -13.492 685 HE2 HIS 87 2HE HIS 87 19.210 1.418 -14.958 686 H HIS 88 H HIS 88 16.150 1.071 -20.025 687 HA HIS 88 HA HIS 88 13.949 0.232 -21.750 688 1HB HIS 88 2HB HIS 88 14.581 2.424 -22.275 689 2HB HIS 88 1HB HIS 88 16.298 2.073 -22.102 690 HD2 HIS 88 2HD HIS 88 17.574 1.682 -24.421 691 HE1 HIS 88 1HE HIS 88 14.162 0.890 -26.795 692 HE2 HIS 88 2HE HIS 88 16.694 1.015 -26.768 693 H HIS 89 H HIS 89 14.056 -1.445 -23.115 694 HA HIS 89 HA HIS 89 16.663 -2.647 -23.705 695 1HB HIS 89 2HB HIS 89 14.293 -4.029 -22.473 696 2HB HIS 89 1HB HIS 89 15.475 -4.924 -23.423 697 HD2 HIS 89 2HD HIS 89 18.214 -4.515 -22.349 698 HE1 HIS 89 1HE HIS 89 16.636 -4.177 -18.435 699 HE2 HIS 89 2HE HIS 89 18.698 -4.720 -19.808 Start of MODEL 14 1 1H MET 1 1HT MET 1 -2.374 -7.080 -27.693 2 2H MET 1 2HT MET 1 -1.564 -8.209 -28.657 3 3H MET 1 3HT MET 1 -0.913 -6.664 -28.439 4 HA MET 1 HA MET 1 0.346 -7.643 -26.896 5 1HB MET 1 2HB MET 1 -2.255 -7.612 -25.357 6 2HB MET 1 1HB MET 1 -0.633 -7.462 -24.696 7 1HG MET 1 2HG MET 1 -0.773 -5.406 -26.525 8 2HG MET 1 1HG MET 1 -2.384 -5.441 -25.813 9 1HE MET 1 1HE MET 1 1.211 -3.844 -25.153 10 2HE MET 1 2HE MET 1 1.307 -5.604 -25.202 11 3HE MET 1 3HE MET 1 1.596 -4.746 -23.688 12 H ARG 2 H ARG 2 0.857 -9.468 -25.523 13 HA ARG 2 HA ARG 2 -0.855 -11.804 -25.680 14 1HB ARG 2 2HB ARG 2 1.002 -13.209 -26.613 15 2HB ARG 2 1HB ARG 2 0.309 -12.064 -27.753 16 1HG ARG 2 2HG ARG 2 2.189 -10.733 -27.771 17 2HG ARG 2 1HG ARG 2 2.735 -11.305 -26.193 18 1HD ARG 2 2HD ARG 2 3.724 -13.162 -27.055 19 2HD ARG 2 1HD ARG 2 2.553 -13.310 -28.365 20 HE ARG 2 HE ARG 2 4.220 -11.023 -28.688 21 1HH1 ARG 2 1HH1 ARG 2 4.109 -14.483 -29.092 22 2HH1 ARG 2 2HH1 ARG 2 5.297 -14.503 -30.352 23 1HH2 ARG 2 1HH2 ARG 2 5.783 -11.041 -30.351 24 2HH2 ARG 2 2HH2 ARG 2 6.248 -12.548 -31.067 25 H GLY 3 H GLY 3 -0.610 -13.121 -23.954 26 1HA GLY 3 2HA GLY 3 1.578 -13.813 -22.516 27 2HA GLY 3 1HA GLY 3 1.163 -12.241 -21.850 28 H SER 4 H SER 4 -0.367 -12.122 -20.320 29 HA SER 4 HA SER 4 -1.846 -12.795 -18.729 30 1HB SER 4 2HB SER 4 -3.477 -12.809 -20.476 31 2HB SER 4 1HB SER 4 -2.883 -14.345 -21.108 32 HG SER 4 HG SER 4 -3.825 -15.403 -19.474 33 H ASN 5 H ASN 5 -0.232 -13.806 -17.465 34 HA ASN 5 HA ASN 5 0.642 -16.449 -17.765 35 1HB ASN 5 2HB ASN 5 0.944 -16.157 -15.136 36 2HB ASN 5 1HB ASN 5 1.985 -15.326 -16.287 37 1HD2 ASN 5 1HD2 ASN 5 1.685 -13.120 -16.658 38 2HD2 ASN 5 2HD2 ASN 5 0.816 -12.123 -15.547 39 H ALA 6 H ALA 6 0.202 -18.243 -16.210 40 HA ALA 6 HA ALA 6 -2.518 -18.976 -16.311 41 1HB ALA 6 1HB ALA 6 -1.629 -20.792 -14.627 42 2HB ALA 6 2HB ALA 6 -0.060 -20.149 -15.112 43 3HB ALA 6 3HB ALA 6 -1.154 -20.814 -16.325 44 HA PRO 7 HA PRO 7 -4.030 -16.887 -12.684 45 1HB PRO 7 2HB PRO 7 -6.235 -18.840 -12.768 46 2HB PRO 7 1HB PRO 7 -6.287 -17.082 -12.924 47 1HG PRO 7 2HG PRO 7 -6.722 -18.694 -15.025 48 2HG PRO 7 1HG PRO 7 -5.885 -17.138 -15.198 49 1HD PRO 7 2HD PRO 7 -4.740 -19.906 -15.084 50 2HD PRO 7 1HD PRO 7 -4.290 -18.543 -16.132 51 H GLN 8 H GLN 8 -3.164 -17.248 -10.744 52 HA GLN 8 HA GLN 8 -3.866 -19.571 -9.220 53 1HB GLN 8 2HB GLN 8 -1.446 -19.635 -10.726 54 2HB GLN 8 1HB GLN 8 -1.035 -19.537 -9.020 55 1HG GLN 8 2HG GLN 8 -2.763 -21.444 -8.746 56 2HG GLN 8 1HG GLN 8 -2.531 -21.666 -10.480 57 1HE2 GLN 8 1HE2 GLN 8 -0.142 -20.672 -8.092 58 2HE2 GLN 8 2HE2 GLN 8 0.887 -22.047 -8.279 59 HA PRO 9 HA PRO 9 -3.540 -16.591 -5.973 60 1HB PRO 9 2HB PRO 9 -2.813 -18.884 -4.239 61 2HB PRO 9 1HB PRO 9 -4.136 -17.725 -4.076 62 1HG PRO 9 2HG PRO 9 -4.604 -20.230 -4.859 63 2HG PRO 9 1HG PRO 9 -5.498 -18.869 -5.563 64 1HD PRO 9 2HD PRO 9 -3.220 -20.438 -6.707 65 2HD PRO 9 1HD PRO 9 -4.673 -19.809 -7.512 66 H SER 10 H SER 10 -2.035 -15.929 -4.187 67 HA SER 10 HA SER 10 0.722 -16.815 -4.513 68 1HB SER 10 2HB SER 10 1.147 -14.128 -4.451 69 2HB SER 10 1HB SER 10 1.120 -15.086 -5.932 70 HG SER 10 HG SER 10 -1.177 -13.849 -4.822 71 H HIS 11 H HIS 11 -1.125 -14.178 -2.999 72 HA HIS 11 HA HIS 11 -0.870 -13.201 -0.933 73 1HB HIS 11 2HB HIS 11 -1.464 -14.977 0.883 74 2HB HIS 11 1HB HIS 11 -2.650 -14.539 -0.340 75 HD2 HIS 11 2HD HIS 11 -3.279 -16.524 -2.180 76 HE1 HIS 11 1HE HIS 11 -1.062 -19.544 -0.212 77 HE2 HIS 11 2HE HIS 11 -2.889 -19.073 -1.906 78 H ILE 12 H ILE 12 1.215 -12.531 -0.712 79 HA ILE 12 HA ILE 12 3.396 -14.204 -0.019 80 HB ILE 12 HB ILE 12 3.856 -12.100 -1.057 81 1HG1 ILE 12 2HG1 ILE 12 4.818 -11.225 1.564 82 2HG1 ILE 12 1HG1 ILE 12 5.125 -12.934 1.257 83 1HG2 ILE 12 1HG2 ILE 12 2.162 -10.638 -0.622 84 2HG2 ILE 12 2HG2 ILE 12 3.395 -9.997 0.462 85 3HG2 ILE 12 3HG2 ILE 12 2.115 -11.030 1.097 86 1HD1 ILE 12 1HD1 ILE 12 5.939 -11.900 -1.076 87 2HD1 ILE 12 2HD1 ILE 12 6.996 -12.127 0.318 88 3HD1 ILE 12 3HD1 ILE 12 6.284 -10.546 -0.001 89 H SER 13 H SER 13 4.558 -14.243 2.003 90 HA SER 13 HA SER 13 3.017 -14.830 4.234 91 1HB SER 13 2HB SER 13 5.915 -13.971 4.079 92 2HB SER 13 1HB SER 13 5.156 -14.638 5.524 93 HG SER 13 HG SER 13 4.717 -16.173 3.320 94 H LYS 14 H LYS 14 4.548 -11.793 3.283 95 HA LYS 14 HA LYS 14 2.727 -10.327 4.966 96 1HB LYS 14 2HB LYS 14 4.948 -9.054 5.820 97 2HB LYS 14 1HB LYS 14 4.131 -10.313 6.733 98 1HG LYS 14 2HG LYS 14 5.699 -11.952 5.609 99 2HG LYS 14 1HG LYS 14 6.606 -10.546 5.051 100 1HD LYS 14 2HD LYS 14 5.923 -10.781 7.945 101 2HD LYS 14 1HD LYS 14 7.243 -11.752 7.293 102 1HE LYS 14 2HE LYS 14 8.141 -9.701 8.168 103 2HE LYS 14 1HE LYS 14 8.272 -9.680 6.410 104 1HZ LYS 14 1HZ LYS 14 6.874 -7.954 6.249 105 2HZ LYS 14 2HZ LYS 14 7.253 -7.685 7.876 106 3HZ LYS 14 3HZ LYS 14 5.841 -8.520 7.463 107 H TYR 15 H TYR 15 2.478 -8.217 4.378 108 HA TYR 15 HA TYR 15 4.077 -7.261 2.089 109 1HB TYR 15 2HB TYR 15 1.294 -7.855 2.176 110 2HB TYR 15 1HB TYR 15 1.453 -6.106 2.079 111 HD1 TYR 15 1HD TYR 15 3.862 -5.838 0.378 112 HD2 TYR 15 2HD TYR 15 0.548 -8.492 0.071 113 HE1 TYR 15 1HE TYR 15 4.225 -6.002 -2.048 114 HE2 TYR 15 2HE TYR 15 0.904 -8.664 -2.355 115 HH TYR 15 HH TYR 15 3.133 -8.308 -3.918 116 H ILE 16 H ILE 16 5.018 -5.301 2.460 117 HA ILE 16 HA ILE 16 3.917 -3.705 4.681 118 HB ILE 16 HB ILE 16 6.752 -3.837 3.663 119 1HG1 ILE 16 2HG1 ILE 16 5.269 -4.929 5.991 120 2HG1 ILE 16 1HG1 ILE 16 6.651 -5.590 5.128 121 1HG2 ILE 16 1HG2 ILE 16 5.563 -1.549 4.517 122 2HG2 ILE 16 2HG2 ILE 16 7.280 -1.908 4.719 123 3HG2 ILE 16 3HG2 ILE 16 6.156 -2.204 6.044 124 1HD1 ILE 16 1HD1 ILE 16 6.687 -3.430 7.217 125 2HD1 ILE 16 2HD1 ILE 16 8.094 -3.950 6.290 126 3HD1 ILE 16 3HD1 ILE 16 7.286 -5.080 7.376 127 H LEU 17 H LEU 17 3.353 -1.660 4.352 128 HA LEU 17 HA LEU 17 3.597 -0.633 1.617 129 1HB LEU 17 2HB LEU 17 1.357 -0.959 3.062 130 2HB LEU 17 1HB LEU 17 1.801 0.659 3.573 131 HG LEU 17 HG LEU 17 2.062 0.671 0.776 132 1HD1 LEU 17 1HD1 LEU 17 0.645 -1.444 0.955 133 2HD1 LEU 17 2HD1 LEU 17 0.064 -0.162 -0.108 134 3HD1 LEU 17 3HD1 LEU 17 -0.659 -0.381 1.486 135 1HD2 LEU 17 1HD2 LEU 17 1.047 2.268 2.721 136 2HD2 LEU 17 2HD2 LEU 17 -0.427 1.748 1.903 137 3HD2 LEU 17 3HD2 LEU 17 0.852 2.550 0.991 138 H ARG 18 H ARG 18 5.129 0.802 1.335 139 HA ARG 18 HA ARG 18 5.848 2.574 3.564 140 1HB ARG 18 2HB ARG 18 7.621 2.277 1.192 141 2HB ARG 18 1HB ARG 18 8.041 2.542 2.879 142 1HG ARG 18 2HG ARG 18 6.772 -0.017 2.544 143 2HG ARG 18 1HG ARG 18 8.157 0.146 1.461 144 1HD ARG 18 2HD ARG 18 8.137 0.528 4.450 145 2HD ARG 18 1HD ARG 18 8.876 -0.801 3.559 146 HE ARG 18 HE ARG 18 10.165 1.280 2.519 147 1HH1 ARG 18 1HH1 ARG 18 9.421 0.511 5.834 148 2HH1 ARG 18 2HH1 ARG 18 10.818 1.314 6.469 149 1HH2 ARG 18 1HH2 ARG 18 12.006 2.339 3.345 150 2HH2 ARG 18 2HH2 ARG 18 12.287 2.354 5.054 151 H TRP 19 H TRP 19 5.662 4.747 3.318 152 HA TRP 19 HA TRP 19 5.548 5.964 0.728 153 1HB TRP 19 2HB TRP 19 3.312 6.579 0.584 154 2HB TRP 19 1HB TRP 19 3.209 4.938 1.209 155 HD1 TRP 19 HD TRP 19 2.531 8.560 2.169 156 HE1 TRP 19 1HE TRP 19 1.184 8.603 4.361 157 HE3 TRP 19 3HE TRP 19 2.809 3.603 3.392 158 HZ2 TRP 19 2HZ TRP 19 0.346 6.778 6.344 159 HZ3 TRP 19 3HZ TRP 19 1.705 2.834 5.453 160 HH2 TRP 19 HH TRP 19 0.499 4.390 6.897 161 H ARG 20 H ARG 20 5.613 8.203 0.758 162 HA ARG 20 HA ARG 20 5.526 9.691 3.210 163 1HB ARG 20 2HB ARG 20 7.819 10.371 3.286 164 2HB ARG 20 1HB ARG 20 7.800 8.614 3.243 165 1HG ARG 20 2HG ARG 20 9.222 8.720 1.551 166 2HG ARG 20 1HG ARG 20 7.917 9.390 0.573 167 1HD ARG 20 2HD ARG 20 8.786 11.461 0.615 168 2HD ARG 20 1HD ARG 20 9.251 11.335 2.312 169 HE ARG 20 HE ARG 20 10.933 9.718 0.722 170 1HH1 ARG 20 1HH1 ARG 20 10.297 13.057 1.488 171 2HH1 ARG 20 2HH1 ARG 20 11.917 13.573 1.157 172 1HH2 ARG 20 1HH2 ARG 20 13.064 10.386 0.292 173 2HH2 ARG 20 2HH2 ARG 20 13.491 12.053 0.477 174 HA PRO 21 HA PRO 21 4.378 12.932 0.449 175 1HB PRO 21 2HB PRO 21 6.114 14.724 2.078 176 2HB PRO 21 1HB PRO 21 4.403 14.886 1.664 177 1HG PRO 21 2HG PRO 21 5.069 14.142 4.104 178 2HG PRO 21 1HG PRO 21 3.741 13.316 3.261 179 1HD PRO 21 2HD PRO 21 6.580 12.413 3.637 180 2HD PRO 21 1HD PRO 21 5.072 11.493 3.844 181 H LYS 22 H LYS 22 5.184 12.995 -1.535 182 HA LYS 22 HA LYS 22 7.947 12.898 -2.150 183 1HB LYS 22 2HB LYS 22 5.945 12.142 -3.578 184 2HB LYS 22 1HB LYS 22 5.806 13.830 -4.050 185 1HG LYS 22 2HG LYS 22 8.505 13.153 -4.401 186 2HG LYS 22 1HG LYS 22 7.567 11.803 -5.046 187 1HD LYS 22 2HD LYS 22 6.547 14.453 -5.782 188 2HD LYS 22 1HD LYS 22 8.155 14.090 -6.408 189 1HE LYS 22 2HE LYS 22 5.785 12.253 -6.702 190 2HE LYS 22 1HE LYS 22 6.258 13.442 -7.914 191 1HZ LYS 22 1HZ LYS 22 7.867 11.134 -6.968 192 2HZ LYS 22 2HZ LYS 22 8.448 12.331 -8.012 193 3HZ LYS 22 3HZ LYS 22 7.176 11.330 -8.499 194 H ASN 23 H ASN 23 5.635 15.513 -1.822 195 HA ASN 23 HA ASN 23 7.567 17.471 -2.791 196 1HB ASN 23 2HB ASN 23 5.334 17.842 -3.559 197 2HB ASN 23 1HB ASN 23 4.680 17.686 -1.932 198 1HD2 ASN 23 1HD2 ASN 23 7.335 19.551 -3.372 199 2HD2 ASN 23 2HD2 ASN 23 6.815 21.081 -2.763 200 H SER 24 H SER 24 5.817 16.659 0.183 201 HA SER 24 HA SER 24 7.353 18.648 1.667 202 1HB SER 24 2HB SER 24 4.748 17.601 1.917 203 2HB SER 24 1HB SER 24 5.639 17.032 3.328 204 HG SER 24 HG SER 24 5.937 19.706 2.594 205 H VAL 25 H VAL 25 7.450 17.430 4.153 206 HA VAL 25 HA VAL 25 9.156 15.072 3.741 207 HB VAL 25 HB VAL 25 10.689 15.944 5.511 208 1HG1 VAL 25 1HG1 VAL 25 10.427 16.904 2.776 209 2HG1 VAL 25 2HG1 VAL 25 11.850 16.322 3.641 210 3HG1 VAL 25 3HG1 VAL 25 11.345 18.004 3.805 211 1HG2 VAL 25 1HG2 VAL 25 8.862 17.643 6.256 212 2HG2 VAL 25 2HG2 VAL 25 9.576 18.672 5.016 213 3HG2 VAL 25 3HG2 VAL 25 10.565 18.090 6.356 214 H GLY 26 H GLY 26 9.538 13.853 5.780 215 1HA GLY 26 2HA GLY 26 8.476 14.046 8.213 216 2HA GLY 26 1HA GLY 26 7.037 13.693 7.267 217 H ARG 27 H ARG 27 10.112 12.377 6.348 218 HA ARG 27 HA ARG 27 10.904 10.252 6.221 219 1HB ARG 27 2HB ARG 27 10.023 10.624 8.895 220 2HB ARG 27 1HB ARG 27 9.581 8.992 8.417 221 1HG ARG 27 2HG ARG 27 11.970 8.716 7.636 222 2HG ARG 27 1HG ARG 27 12.314 10.232 8.472 223 1HD ARG 27 2HD ARG 27 12.782 8.800 10.171 224 2HD ARG 27 1HD ARG 27 11.047 8.967 10.443 225 HE ARG 27 HE ARG 27 11.529 6.834 8.666 226 1HH1 ARG 27 1HH1 ARG 27 11.876 7.694 12.027 227 2HH1 ARG 27 2HH1 ARG 27 11.759 6.060 12.588 228 1HH2 ARG 27 1HH2 ARG 27 11.374 4.682 9.397 229 2HH2 ARG 27 2HH2 ARG 27 11.474 4.348 11.094 230 H TRP 28 H TRP 28 10.082 7.807 6.430 231 HA TRP 28 HA TRP 28 7.747 7.682 4.687 232 1HB TRP 28 2HB TRP 28 9.895 5.696 5.421 233 2HB TRP 28 1HB TRP 28 8.466 5.234 4.502 234 HD1 TRP 28 HD TRP 28 11.230 7.960 4.175 235 HE1 TRP 28 1HE TRP 28 11.867 8.130 1.687 236 HE3 TRP 28 3HE TRP 28 7.970 4.518 2.268 237 HZ2 TRP 28 2HZ TRP 28 11.090 6.956 -0.762 238 HZ3 TRP 28 3HZ TRP 28 7.979 4.099 -0.157 239 HH2 TRP 28 HH TRP 28 9.507 5.293 -1.638 240 H LYS 29 H LYS 29 6.561 5.402 5.054 241 HA LYS 29 HA LYS 29 6.000 4.959 7.884 242 1HB LYS 29 2HB LYS 29 4.389 6.678 6.528 243 2HB LYS 29 1HB LYS 29 3.587 5.152 6.184 244 1HG LYS 29 2HG LYS 29 2.632 5.182 8.176 245 2HG LYS 29 1HG LYS 29 4.214 5.231 8.957 246 1HD LYS 29 2HD LYS 29 4.233 7.694 8.643 247 2HD LYS 29 1HD LYS 29 2.593 7.589 8.000 248 1HE LYS 29 2HE LYS 29 3.344 6.542 10.717 249 2HE LYS 29 1HE LYS 29 2.819 8.204 10.452 250 1HZ LYS 29 1HZ LYS 29 0.911 6.774 9.191 251 2HZ LYS 29 2HZ LYS 29 0.784 7.377 10.767 252 3HZ LYS 29 3HZ LYS 29 1.272 5.778 10.511 253 H GLU 30 H GLU 30 5.351 2.843 8.308 254 HA GLU 30 HA GLU 30 5.200 1.096 5.937 255 1HB GLU 30 2HB GLU 30 6.177 0.085 8.578 256 2HB GLU 30 1HB GLU 30 6.509 -0.521 6.962 257 1HG GLU 30 2HG GLU 30 8.251 0.864 6.655 258 2HG GLU 30 1HG GLU 30 7.482 2.197 7.516 259 H ALA 31 H ALA 31 3.573 -0.287 5.760 260 HA ALA 31 HA ALA 31 1.885 -0.847 8.097 261 1HB ALA 31 1HB ALA 31 1.078 0.415 5.536 262 2HB ALA 31 2HB ALA 31 0.437 0.643 7.164 263 3HB ALA 31 3HB ALA 31 -0.017 -0.782 6.229 264 H THR 32 H THR 32 2.094 -2.966 8.379 265 HA THR 32 HA THR 32 2.582 -4.709 6.114 266 HB THR 32 HB THR 32 2.498 -5.432 9.043 267 HG1 THR 32 1HG THR 32 4.505 -4.754 9.114 268 1HG2 THR 32 1HG2 THR 32 3.517 -6.927 6.619 269 2HG2 THR 32 2HG2 THR 32 2.126 -7.361 7.616 270 3HG2 THR 32 3HG2 THR 32 3.755 -7.433 8.293 271 H ILE 33 H ILE 33 1.313 -6.289 5.388 272 HA ILE 33 HA ILE 33 -1.223 -6.866 6.715 273 HB ILE 33 HB ILE 33 -1.834 -6.908 3.982 274 1HG1 ILE 33 2HG1 ILE 33 -0.762 -4.172 4.644 275 2HG1 ILE 33 1HG1 ILE 33 0.239 -5.376 3.839 276 1HG2 ILE 33 1HG2 ILE 33 -3.560 -6.406 5.412 277 2HG2 ILE 33 2HG2 ILE 33 -3.217 -4.819 4.722 278 3HG2 ILE 33 3HG2 ILE 33 -2.608 -5.234 6.325 279 1HD1 ILE 33 1HD1 ILE 33 -2.066 -3.834 2.821 280 2HD1 ILE 33 2HD1 ILE 33 -1.874 -5.486 2.235 281 3HD1 ILE 33 3HD1 ILE 33 -0.572 -4.315 2.017 282 HA PRO 34 HA PRO 34 0.711 -10.852 5.715 283 1HB PRO 34 2HB PRO 34 -1.261 -12.323 6.961 284 2HB PRO 34 1HB PRO 34 0.151 -11.648 7.782 285 1HG PRO 34 2HG PRO 34 -2.634 -10.562 7.603 286 2HG PRO 34 1HG PRO 34 -1.548 -10.632 9.004 287 1HD PRO 34 2HD PRO 34 -1.881 -8.359 7.642 288 2HD PRO 34 1HD PRO 34 -0.288 -8.819 8.273 289 H GLY 35 H GLY 35 0.270 -10.656 3.452 290 1HA GLY 35 2HA GLY 35 -0.770 -11.201 1.477 291 2HA GLY 35 1HA GLY 35 -1.413 -12.570 2.370 292 H HIS 36 H HIS 36 -2.035 -9.105 2.791 293 HA HIS 36 HA HIS 36 -3.959 -7.896 2.816 294 1HB HIS 36 2HB HIS 36 -3.868 -8.681 0.377 295 2HB HIS 36 1HB HIS 36 -5.086 -9.867 0.834 296 HD2 HIS 36 2HD HIS 36 -7.177 -8.139 2.473 297 HE1 HIS 36 1HE HIS 36 -7.045 -5.463 -0.804 298 HE2 HIS 36 2HE HIS 36 -8.261 -6.074 1.336 299 H LEU 37 H LEU 37 -4.455 -8.481 4.966 300 HA LEU 37 HA LEU 37 -6.129 -10.770 5.485 301 1HB LEU 37 2HB LEU 37 -5.762 -10.382 7.703 302 2HB LEU 37 1HB LEU 37 -4.352 -9.591 7.025 303 HG LEU 37 HG LEU 37 -6.656 -7.806 7.326 304 1HD1 LEU 37 1HD1 LEU 37 -5.662 -7.880 9.921 305 2HD1 LEU 37 2HD1 LEU 37 -5.959 -9.567 9.500 306 3HD1 LEU 37 3HD1 LEU 37 -7.263 -8.386 9.381 307 1HD2 LEU 37 1HD2 LEU 37 -3.770 -7.715 8.190 308 2HD2 LEU 37 2HD2 LEU 37 -4.913 -6.381 8.347 309 3HD2 LEU 37 3HD2 LEU 37 -4.468 -6.978 6.747 310 H ASN 38 H ASN 38 -6.542 -7.331 5.019 311 HA ASN 38 HA ASN 38 -9.334 -7.627 4.537 312 1HB ASN 38 2HB ASN 38 -10.277 -6.511 6.374 313 2HB ASN 38 1HB ASN 38 -9.103 -7.602 7.105 314 1HD2 ASN 38 1HD2 ASN 38 -10.310 -4.638 7.355 315 2HD2 ASN 38 2HD2 ASN 38 -8.945 -3.783 7.976 316 H SER 39 H SER 39 -10.252 -5.094 4.789 317 HA SER 39 HA SER 39 -8.792 -3.731 2.716 318 1HB SER 39 2HB SER 39 -11.421 -3.874 3.275 319 2HB SER 39 1HB SER 39 -11.036 -2.354 4.083 320 HG SER 39 HG SER 39 -9.891 -1.963 1.914 321 H TYR 40 H TYR 40 -7.179 -2.379 3.056 322 HA TYR 40 HA TYR 40 -6.985 -1.014 5.655 323 1HB TYR 40 2HB TYR 40 -5.126 -2.597 4.768 324 2HB TYR 40 1HB TYR 40 -4.719 -1.264 3.693 325 HD1 TYR 40 1HD TYR 40 -4.270 -2.661 6.937 326 HD2 TYR 40 2HD TYR 40 -4.230 1.014 4.793 327 HE1 TYR 40 1HE TYR 40 -2.925 -1.640 8.724 328 HE2 TYR 40 2HE TYR 40 -2.884 2.046 6.572 329 HH TYR 40 HH TYR 40 -2.329 0.471 9.604 330 H THR 41 H THR 41 -7.282 1.115 5.722 331 HA THR 41 HA THR 41 -7.278 2.605 3.186 332 HB THR 41 HB THR 41 -9.426 2.579 4.421 333 HG1 THR 41 1HG THR 41 -8.184 5.146 4.379 334 1HG2 THR 41 1HG2 THR 41 -9.566 2.966 6.615 335 2HG2 THR 41 2HG2 THR 41 -8.692 4.489 6.458 336 3HG2 THR 41 3HG2 THR 41 -7.804 2.979 6.665 337 H ILE 42 H ILE 42 -6.271 4.613 3.037 338 HA ILE 42 HA ILE 42 -4.187 5.078 5.058 339 HB ILE 42 HB ILE 42 -4.332 5.763 2.129 340 1HG1 ILE 42 2HG1 ILE 42 -1.859 4.634 3.049 341 2HG1 ILE 42 1HG1 ILE 42 -3.197 3.655 3.640 342 1HG2 ILE 42 1HG2 ILE 42 -2.558 6.927 4.246 343 2HG2 ILE 42 2HG2 ILE 42 -3.433 7.747 2.952 344 3HG2 ILE 42 3HG2 ILE 42 -2.006 6.780 2.577 345 1HD1 ILE 42 1HD1 ILE 42 -3.794 4.181 0.970 346 2HD1 ILE 42 2HD1 ILE 42 -3.231 2.662 1.669 347 3HD1 ILE 42 3HD1 ILE 42 -2.069 3.814 1.009 348 H LYS 43 H LYS 43 -4.008 6.990 6.103 349 HA LYS 43 HA LYS 43 -6.173 8.603 6.568 350 1HB LYS 43 2HB LYS 43 -3.767 8.453 7.677 351 2HB LYS 43 1HB LYS 43 -3.478 9.873 6.680 352 1HG LYS 43 2HG LYS 43 -4.240 10.950 8.503 353 2HG LYS 43 1HG LYS 43 -5.812 10.581 7.790 354 1HD LYS 43 2HD LYS 43 -4.501 8.651 9.669 355 2HD LYS 43 1HD LYS 43 -5.397 10.039 10.290 356 1HE LYS 43 2HE LYS 43 -7.290 8.908 10.031 357 2HE LYS 43 1HE LYS 43 -6.997 8.842 8.293 358 1HZ LYS 43 1HZ LYS 43 -6.083 6.867 10.313 359 2HZ LYS 43 2HZ LYS 43 -5.676 6.821 8.672 360 3HZ LYS 43 3HZ LYS 43 -7.288 6.635 9.147 361 H GLY 44 H GLY 44 -6.663 10.801 6.017 362 1HA GLY 44 2HA GLY 44 -6.793 11.281 3.267 363 2HA GLY 44 1HA GLY 44 -7.104 12.476 4.515 364 H LEU 45 H LEU 45 -5.453 12.134 1.831 365 HA LEU 45 HA LEU 45 -2.820 12.923 2.588 366 1HB LEU 45 2HB LEU 45 -4.294 12.883 -0.036 367 2HB LEU 45 1HB LEU 45 -2.628 13.380 0.106 368 HG LEU 45 HG LEU 45 -2.510 11.158 -0.601 369 1HD1 LEU 45 1HD1 LEU 45 -1.337 10.071 1.090 370 2HD1 LEU 45 2HD1 LEU 45 -2.344 10.761 2.361 371 3HD1 LEU 45 3HD1 LEU 45 -1.190 11.779 1.502 372 1HD2 LEU 45 1HD2 LEU 45 -5.046 10.923 0.484 373 2HD2 LEU 45 2HD2 LEU 45 -4.064 9.813 1.439 374 3HD2 LEU 45 3HD2 LEU 45 -4.122 9.651 -0.316 375 H LYS 46 H LYS 46 -3.028 14.985 0.223 376 HA LYS 46 HA LYS 46 -4.421 17.164 1.522 377 1HB LYS 46 2HB LYS 46 -2.307 17.196 2.712 378 2HB LYS 46 1HB LYS 46 -1.417 17.194 1.196 379 1HG LYS 46 2HG LYS 46 -2.114 19.393 0.675 380 2HG LYS 46 1HG LYS 46 -3.316 19.393 1.962 381 1HD LYS 46 2HD LYS 46 -0.329 19.311 2.334 382 2HD LYS 46 1HD LYS 46 -1.374 20.711 2.574 383 1HE LYS 46 2HE LYS 46 -1.344 18.150 4.160 384 2HE LYS 46 1HE LYS 46 -0.906 19.762 4.718 385 1HZ LYS 46 1HZ LYS 46 -3.038 20.315 5.045 386 2HZ LYS 46 2HZ LYS 46 -3.313 18.647 5.068 387 3HZ LYS 46 3HZ LYS 46 -3.586 19.529 3.651 388 HA PRO 47 HA PRO 47 -5.004 18.197 -2.750 389 1HB PRO 47 2HB PRO 47 -5.681 20.897 -1.789 390 2HB PRO 47 1HB PRO 47 -6.683 19.731 -2.655 391 1HG PRO 47 2HG PRO 47 -7.091 20.294 -0.060 392 2HG PRO 47 1HG PRO 47 -7.354 18.668 -0.720 393 1HD PRO 47 2HD PRO 47 -5.044 19.719 0.868 394 2HD PRO 47 1HD PRO 47 -5.863 18.147 0.974 395 H GLY 48 H GLY 48 -3.289 18.530 -4.018 396 1HA GLY 48 2HA GLY 48 -1.908 20.112 -5.171 397 2HA GLY 48 1HA GLY 48 -1.790 21.039 -3.684 398 H VAL 49 H VAL 49 -1.411 18.086 -2.529 399 HA VAL 49 HA VAL 49 1.493 18.049 -3.043 400 HB VAL 49 HB VAL 49 0.323 16.951 -0.515 401 1HG1 VAL 49 1HG1 VAL 49 2.894 17.166 -1.611 402 2HG1 VAL 49 2HG1 VAL 49 2.456 16.637 0.013 403 3HG1 VAL 49 3HG1 VAL 49 2.829 18.334 -0.292 404 1HG2 VAL 49 1HG2 VAL 49 -0.330 18.940 0.217 405 2HG2 VAL 49 2HG2 VAL 49 0.174 19.694 -1.296 406 3HG2 VAL 49 3HG2 VAL 49 1.322 19.531 0.032 407 H VAL 50 H VAL 50 2.368 16.201 -3.743 408 HA VAL 50 HA VAL 50 0.615 13.861 -3.978 409 HB VAL 50 HB VAL 50 3.139 14.639 -5.432 410 1HG1 VAL 50 1HG1 VAL 50 3.534 12.382 -5.297 411 2HG1 VAL 50 2HG1 VAL 50 2.524 12.446 -6.742 412 3HG1 VAL 50 3HG1 VAL 50 1.821 11.977 -5.194 413 1HG2 VAL 50 1HG2 VAL 50 1.811 15.227 -7.133 414 2HG2 VAL 50 2HG2 VAL 50 0.514 15.229 -5.938 415 3HG2 VAL 50 3HG2 VAL 50 0.786 13.804 -6.943 416 H TYR 51 H TYR 51 1.066 11.948 -3.018 417 HA TYR 51 HA TYR 51 3.403 11.893 -1.236 418 1HB TYR 51 2HB TYR 51 0.714 10.543 -1.112 419 2HB TYR 51 1HB TYR 51 2.071 9.978 -0.143 420 HD1 TYR 51 1HD TYR 51 0.237 13.144 -0.916 421 HD2 TYR 51 2HD TYR 51 2.319 10.834 1.988 422 HE1 TYR 51 1HE TYR 51 -0.299 14.825 0.797 423 HE2 TYR 51 2HE TYR 51 1.788 12.508 3.709 424 HH TYR 51 HH TYR 51 -0.509 14.627 3.568 425 H GLU 52 H GLU 52 5.056 10.680 -1.854 426 HA GLU 52 HA GLU 52 4.747 8.756 -3.989 427 1HB GLU 52 2HB GLU 52 7.136 8.531 -3.935 428 2HB GLU 52 1HB GLU 52 6.749 10.239 -3.782 429 1HG GLU 52 2HG GLU 52 7.159 10.146 -1.397 430 2HG GLU 52 1HG GLU 52 7.472 8.414 -1.500 431 H GLY 53 H GLY 53 4.773 6.542 -3.835 432 1HA GLY 53 2HA GLY 53 5.213 5.392 -1.169 433 2HA GLY 53 1HA GLY 53 3.680 5.094 -1.970 434 H GLN 54 H GLN 54 5.790 3.296 -1.075 435 HA GLN 54 HA GLN 54 6.169 1.815 -3.569 436 1HB GLN 54 2HB GLN 54 8.369 2.406 -3.315 437 2HB GLN 54 1HB GLN 54 8.209 2.664 -1.583 438 1HG GLN 54 2HG GLN 54 8.205 0.242 -1.234 439 2HG GLN 54 1HG GLN 54 8.407 0.005 -2.971 440 1HE2 GLN 54 1HE2 GLN 54 10.293 1.499 -3.822 441 2HE2 GLN 54 2HE2 GLN 54 11.771 1.331 -2.945 442 H LEU 55 H LEU 55 6.107 -0.491 -3.292 443 HA LEU 55 HA LEU 55 5.072 -1.343 -0.667 444 1HB LEU 55 2HB LEU 55 3.335 -1.172 -2.449 445 2HB LEU 55 1HB LEU 55 4.199 -2.398 -3.354 446 HG LEU 55 HG LEU 55 3.832 -3.977 -1.452 447 1HD1 LEU 55 1HD1 LEU 55 3.152 -1.678 -0.062 448 2HD1 LEU 55 2HD1 LEU 55 2.941 -3.342 0.484 449 3HD1 LEU 55 3HD1 LEU 55 1.615 -2.503 -0.320 450 1HD2 LEU 55 1HD2 LEU 55 1.286 -2.811 -2.566 451 2HD2 LEU 55 2HD2 LEU 55 1.559 -4.468 -2.025 452 3HD2 LEU 55 3HD2 LEU 55 2.373 -3.866 -3.470 453 H ILE 56 H ILE 56 6.569 -2.583 0.262 454 HA ILE 56 HA ILE 56 8.201 -4.350 -1.407 455 HB ILE 56 HB ILE 56 8.522 -3.644 1.516 456 1HG1 ILE 56 2HG1 ILE 56 10.626 -2.945 -0.410 457 2HG1 ILE 56 1HG1 ILE 56 9.111 -2.095 -0.664 458 1HG2 ILE 56 1HG2 ILE 56 10.256 -5.281 -0.324 459 2HG2 ILE 56 2HG2 ILE 56 9.347 -5.877 1.065 460 3HG2 ILE 56 3HG2 ILE 56 10.702 -4.773 1.303 461 1HD1 ILE 56 1HD1 ILE 56 10.040 -0.648 0.789 462 2HD1 ILE 56 2HD1 ILE 56 11.063 -1.881 1.526 463 3HD1 ILE 56 3HD1 ILE 56 9.363 -1.762 1.977 464 H SER 57 H SER 57 8.151 -6.535 -1.255 465 HA SER 57 HA SER 57 6.110 -7.684 0.522 466 1HB SER 57 2HB SER 57 6.992 -9.246 -1.830 467 2HB SER 57 1HB SER 57 5.375 -9.032 -1.155 468 HG SER 57 HG SER 57 5.411 -7.963 -3.089 469 H ILE 58 H ILE 58 6.848 -8.923 2.074 470 HA ILE 58 HA ILE 58 9.517 -10.132 1.799 471 HB ILE 58 HB ILE 58 8.058 -9.506 4.369 472 1HG1 ILE 58 2HG1 ILE 58 10.439 -7.963 4.007 473 2HG1 ILE 58 1HG1 ILE 58 9.421 -7.755 2.585 474 1HG2 ILE 58 1HG2 ILE 58 9.664 -11.357 4.507 475 2HG2 ILE 58 2HG2 ILE 58 10.194 -9.955 5.436 476 3HG2 ILE 58 3HG2 ILE 58 10.924 -10.302 3.868 477 1HD1 ILE 58 1HD1 ILE 58 9.188 -6.216 4.712 478 2HD1 ILE 58 2HD1 ILE 58 8.142 -7.531 5.248 479 3HD1 ILE 58 3HD1 ILE 58 7.789 -6.682 3.744 480 H GLN 59 H GLN 59 9.633 -12.266 1.686 481 HA GLN 59 HA GLN 59 7.332 -13.843 2.636 482 1HB GLN 59 2HB GLN 59 8.731 -15.476 0.888 483 2HB GLN 59 1HB GLN 59 7.236 -14.619 0.540 484 1HG GLN 59 2HG GLN 59 8.623 -12.687 -0.230 485 2HG GLN 59 1HG GLN 59 10.042 -13.717 -0.056 486 1HE2 GLN 59 1HE2 GLN 59 9.044 -16.113 -0.972 487 2HE2 GLN 59 2HE2 GLN 59 8.681 -15.976 -2.656 488 H GLN 60 H GLN 60 8.129 -16.276 2.892 489 HA GLN 60 HA GLN 60 9.869 -16.269 5.128 490 1HB GLN 60 2HB GLN 60 9.705 -18.798 4.874 491 2HB GLN 60 1HB GLN 60 8.196 -17.929 5.122 492 1HG GLN 60 2HG GLN 60 7.589 -18.150 2.847 493 2HG GLN 60 1HG GLN 60 9.198 -18.716 2.403 494 1HE2 GLN 60 1HE2 GLN 60 9.863 -20.711 3.790 495 2HE2 GLN 60 2HE2 GLN 60 8.680 -21.969 3.857 496 H TYR 61 H TYR 61 10.462 -16.339 1.798 497 HA TYR 61 HA TYR 61 13.089 -17.598 2.139 498 1HB TYR 61 2HB TYR 61 11.200 -17.322 -0.097 499 2HB TYR 61 1HB TYR 61 12.884 -17.049 -0.536 500 HD1 TYR 61 1HD TYR 61 14.207 -18.874 -1.077 501 HD2 TYR 61 2HD TYR 61 10.744 -19.486 1.316 502 HE1 TYR 61 1HE TYR 61 14.579 -21.303 -1.172 503 HE2 TYR 61 2HE TYR 61 11.106 -21.916 1.229 504 HH TYR 61 HH TYR 61 13.673 -23.375 0.677 505 H GLY 62 H GLY 62 11.725 -14.595 2.260 506 1HA GLY 62 2HA GLY 62 12.576 -12.465 2.204 507 2HA GLY 62 1HA GLY 62 14.156 -13.214 2.373 508 H HIS 63 H HIS 63 11.651 -12.779 -0.132 509 HA HIS 63 HA HIS 63 13.718 -12.639 -2.177 510 1HB HIS 63 2HB HIS 63 10.811 -13.104 -2.123 511 2HB HIS 63 1HB HIS 63 11.373 -12.145 -3.488 512 HD2 HIS 63 2HD HIS 63 10.264 -15.188 -3.950 513 HE1 HIS 63 1HE HIS 63 14.356 -16.061 -4.592 514 HE2 HIS 63 2HE HIS 63 11.973 -16.770 -5.094 515 H GLN 64 H GLN 64 11.388 -10.579 -0.568 516 HA GLN 64 HA GLN 64 11.108 -8.332 -0.489 517 1HB GLN 64 2HB GLN 64 13.967 -8.547 -1.360 518 2HB GLN 64 1HB GLN 64 13.192 -6.971 -1.272 519 1HG GLN 64 2HG GLN 64 12.676 -8.467 1.123 520 2HG GLN 64 1HG GLN 64 14.409 -8.396 0.797 521 1HE2 GLN 64 1HE2 GLN 64 12.528 -7.068 2.781 522 2HE2 GLN 64 2HE2 GLN 64 12.945 -5.394 2.689 523 H GLU 65 H GLU 65 9.453 -8.313 -2.002 524 HA GLU 65 HA GLU 65 10.130 -7.695 -4.786 525 1HB GLU 65 2HB GLU 65 8.246 -9.356 -3.793 526 2HB GLU 65 1HB GLU 65 7.303 -7.877 -3.891 527 1HG GLU 65 2HG GLU 65 6.909 -8.410 -6.007 528 2HG GLU 65 1HG GLU 65 8.591 -7.993 -6.333 529 H VAL 66 H VAL 66 9.522 -5.702 -5.747 530 HA VAL 66 HA VAL 66 8.361 -3.741 -3.887 531 HB VAL 66 HB VAL 66 10.676 -3.091 -5.697 532 1HG1 VAL 66 1HG1 VAL 66 10.737 -1.169 -3.908 533 2HG1 VAL 66 2HG1 VAL 66 9.035 -1.593 -3.711 534 3HG1 VAL 66 3HG1 VAL 66 9.641 -1.082 -5.288 535 1HG2 VAL 66 1HG2 VAL 66 10.681 -4.503 -3.214 536 2HG2 VAL 66 2HG2 VAL 66 11.423 -2.920 -2.978 537 3HG2 VAL 66 3HG2 VAL 66 12.049 -4.011 -4.213 538 H THR 67 H THR 67 6.944 -2.346 -4.664 539 HA THR 67 HA THR 67 6.656 -1.970 -7.556 540 HB THR 67 HB THR 67 4.264 -2.471 -5.775 541 HG1 THR 67 1HG THR 67 4.743 -4.383 -7.650 542 1HG2 THR 67 1HG2 THR 67 3.677 -3.026 -8.445 543 2HG2 THR 67 2HG2 THR 67 4.640 -1.549 -8.488 544 3HG2 THR 67 3HG2 THR 67 3.167 -1.614 -7.520 545 H ARG 68 H ARG 68 6.670 0.169 -7.948 546 HA ARG 68 HA ARG 68 6.173 2.004 -5.741 547 1HB ARG 68 2HB ARG 68 7.003 2.825 -8.508 548 2HB ARG 68 1HB ARG 68 7.312 3.637 -6.981 549 1HG ARG 68 2HG ARG 68 8.591 1.300 -6.555 550 2HG ARG 68 1HG ARG 68 8.784 1.466 -8.301 551 1HD ARG 68 2HD ARG 68 9.875 3.554 -8.074 552 2HD ARG 68 1HD ARG 68 9.415 3.690 -6.377 553 HE ARG 68 HE ARG 68 11.328 1.673 -7.364 554 1HH1 ARG 68 1HH1 ARG 68 10.318 4.059 -5.034 555 2HH1 ARG 68 2HH1 ARG 68 11.676 3.802 -3.991 556 1HH2 ARG 68 1HH2 ARG 68 13.115 1.324 -5.998 557 2HH2 ARG 68 2HH2 ARG 68 13.268 2.246 -4.540 558 H PHE 69 H PHE 69 4.685 3.674 -5.761 559 HA PHE 69 HA PHE 69 2.877 4.045 -7.970 560 1HB PHE 69 2HB PHE 69 0.879 3.682 -6.325 561 2HB PHE 69 1HB PHE 69 1.585 2.308 -7.165 562 HD1 PHE 69 1HD PHE 69 1.670 0.434 -5.881 563 HD2 PHE 69 2HD PHE 69 2.381 4.200 -4.030 564 HE1 PHE 69 1HE PHE 69 2.033 -0.696 -3.730 565 HE2 PHE 69 2HE PHE 69 2.755 3.074 -1.869 566 HZ PHE 69 HZ PHE 69 2.579 0.620 -1.722 567 H ASP 70 H ASP 70 1.723 5.954 -7.873 568 HA ASP 70 HA ASP 70 2.411 7.737 -5.626 569 1HB ASP 70 2HB ASP 70 1.981 8.358 -8.555 570 2HB ASP 70 1HB ASP 70 2.034 9.602 -7.310 571 H PHE 71 H PHE 71 0.740 8.674 -4.526 572 HA PHE 71 HA PHE 71 -1.910 8.647 -5.751 573 1HB PHE 71 2HB PHE 71 -2.952 7.457 -3.968 574 2HB PHE 71 1HB PHE 71 -1.565 6.500 -4.486 575 HD1 PHE 71 1HD PHE 71 -3.017 8.486 -1.794 576 HD2 PHE 71 2HD PHE 71 0.401 6.293 -3.068 577 HE1 PHE 71 1HE PHE 71 -2.186 8.447 0.520 578 HE2 PHE 71 2HE PHE 71 1.238 6.247 -0.754 579 HZ PHE 71 HZ PHE 71 -0.056 7.323 1.044 580 H THR 72 H THR 72 -3.386 10.079 -4.902 581 HA THR 72 HA THR 72 -2.593 11.832 -2.712 582 HB THR 72 HB THR 72 -2.875 13.864 -3.902 583 HG1 THR 72 1HG THR 72 -3.907 14.009 -5.791 584 1HG2 THR 72 1HG2 THR 72 -0.743 12.451 -4.351 585 2HG2 THR 72 2HG2 THR 72 -1.054 13.874 -5.346 586 3HG2 THR 72 3HG2 THR 72 -1.413 12.264 -5.972 587 H THR 73 H THR 73 -4.432 13.236 -2.029 588 HA THR 73 HA THR 73 -6.880 11.699 -2.101 589 HB THR 73 HB THR 73 -6.269 12.606 0.033 590 HG1 THR 73 1HG THR 73 -8.291 14.410 -0.479 591 1HG2 THR 73 1HG2 THR 73 -5.199 14.548 0.208 592 2HG2 THR 73 2HG2 THR 73 -6.662 15.397 -0.293 593 3HG2 THR 73 3HG2 THR 73 -5.488 14.876 -1.501 594 H THR 74 H THR 74 -5.665 14.699 -3.440 595 HA THR 74 HA THR 74 -7.817 14.802 -5.328 596 HB THR 74 HB THR 74 -9.152 15.883 -3.772 597 HG1 THR 74 1HG THR 74 -9.260 17.984 -4.497 598 1HG2 THR 74 1HG2 THR 74 -8.027 17.859 -2.407 599 2HG2 THR 74 2HG2 THR 74 -6.576 16.892 -2.679 600 3HG2 THR 74 3HG2 THR 74 -7.961 16.188 -1.844 601 H SER 75 H SER 75 -4.736 15.522 -4.307 602 HA SER 75 HA SER 75 -4.026 17.867 -5.593 603 1HB SER 75 2HB SER 75 -2.429 16.801 -4.171 604 2HB SER 75 1HB SER 75 -2.452 15.329 -5.141 605 HG SER 75 HG SER 75 -1.418 17.865 -5.872 606 H THR 76 H THR 76 -3.110 14.719 -6.962 607 HA THR 76 HA THR 76 -4.390 15.137 -9.461 608 HB THR 76 HB THR 76 -2.523 16.830 -9.588 609 HG1 THR 76 1HG THR 76 -3.392 15.115 -11.391 610 1HG2 THR 76 1HG2 THR 76 -0.700 15.821 -8.514 611 2HG2 THR 76 2HG2 THR 76 -0.279 15.756 -10.225 612 3HG2 THR 76 3HG2 THR 76 -0.888 14.315 -9.413 613 H SER 77 H SER 77 -2.921 13.667 -11.172 614 HA SER 77 HA SER 77 -2.454 11.528 -11.771 615 1HB SER 77 2HB SER 77 -1.072 11.833 -9.145 616 2HB SER 77 1HB SER 77 -1.187 10.213 -9.833 617 HG SER 77 HG SER 77 0.546 12.068 -10.454 618 H THR 78 H THR 78 -2.316 9.487 -9.348 619 HA THR 78 HA THR 78 -3.689 7.868 -8.534 620 HB THR 78 HB THR 78 -6.073 9.602 -8.359 621 HG1 THR 78 1HG THR 78 -3.553 10.352 -7.342 622 1HG2 THR 78 1HG2 THR 78 -4.552 7.700 -6.630 623 2HG2 THR 78 2HG2 THR 78 -6.263 7.705 -7.062 624 3HG2 THR 78 3HG2 THR 78 -5.649 8.860 -5.879 625 HA PRO 79 HA PRO 79 -6.109 7.502 -12.498 626 1HB PRO 79 2HB PRO 79 -4.409 6.212 -14.090 627 2HB PRO 79 1HB PRO 79 -4.266 7.956 -13.841 628 1HG PRO 79 2HG PRO 79 -2.640 5.739 -12.696 629 2HG PRO 79 1HG PRO 79 -2.136 7.364 -13.190 630 1HD PRO 79 2HD PRO 79 -2.712 6.516 -10.568 631 2HD PRO 79 1HD PRO 79 -2.517 8.192 -11.114 632 H GLY 80 H GLY 80 -6.300 5.294 -13.880 633 1HA GLY 80 2HA GLY 80 -6.782 3.219 -11.858 634 2HA GLY 80 1HA GLY 80 -7.551 3.316 -13.436 635 H SER 81 H SER 81 -4.131 3.794 -13.151 636 HA SER 81 HA SER 81 -3.703 1.230 -14.524 637 1HB SER 81 2HB SER 81 -3.031 3.348 -15.704 638 2HB SER 81 1HB SER 81 -1.835 3.609 -14.435 639 HG SER 81 HG SER 81 -0.662 2.491 -15.812 640 H ARG 82 H ARG 82 -3.824 1.976 -11.535 641 HA ARG 82 HA ARG 82 -1.152 1.205 -10.666 642 1HB ARG 82 2HB ARG 82 -2.857 2.959 -9.591 643 2HB ARG 82 1HB ARG 82 -3.387 1.522 -8.729 644 1HG ARG 82 2HG ARG 82 -0.915 1.190 -8.147 645 2HG ARG 82 1HG ARG 82 -0.710 2.864 -8.668 646 1HD ARG 82 2HD ARG 82 -1.084 2.555 -6.208 647 2HD ARG 82 1HD ARG 82 -2.213 3.652 -7.003 648 HE ARG 82 HE ARG 82 -2.916 0.850 -6.421 649 1HH1 ARG 82 1HH1 ARG 82 -3.599 4.265 -6.288 650 2HH1 ARG 82 2HH1 ARG 82 -5.189 4.052 -5.635 651 1HH2 ARG 82 1HH2 ARG 82 -5.008 0.561 -5.560 652 2HH2 ARG 82 2HH2 ARG 82 -5.990 1.947 -5.221 653 H SER 83 H SER 83 -2.350 -0.792 -12.123 654 HA SER 83 HA SER 83 -2.910 -2.998 -12.098 655 1HB SER 83 2HB SER 83 -1.830 -3.065 -9.279 656 2HB SER 83 1HB SER 83 -1.821 -4.356 -10.480 657 HG SER 83 HG SER 83 -0.563 -2.156 -11.414 658 H HIS 84 H HIS 84 -5.122 -1.757 -11.841 659 HA HIS 84 HA HIS 84 -6.597 -1.858 -9.488 660 1HB HIS 84 2HB HIS 84 -7.127 -0.861 -11.873 661 2HB HIS 84 1HB HIS 84 -7.948 -2.401 -12.099 662 HD2 HIS 84 2HD HIS 84 -8.042 0.152 -9.073 663 HE1 HIS 84 1HE HIS 84 -11.968 -0.910 -10.246 664 HE2 HIS 84 2HE HIS 84 -10.578 0.576 -8.733 665 H HIS 85 H HIS 85 -7.957 -3.346 -8.555 666 HA HIS 85 HA HIS 85 -8.052 -6.037 -9.719 667 1HB HIS 85 2HB HIS 85 -7.786 -6.855 -7.261 668 2HB HIS 85 1HB HIS 85 -6.349 -6.405 -8.172 669 HD2 HIS 85 2HD HIS 85 -4.987 -5.740 -5.842 670 HE1 HIS 85 1HE HIS 85 -7.459 -2.428 -4.928 671 HE2 HIS 85 2HE HIS 85 -5.226 -3.542 -4.484 672 H HIS 86 H HIS 86 -9.801 -7.358 -8.904 673 HA HIS 86 HA HIS 86 -11.860 -5.986 -7.361 674 1HB HIS 86 2HB HIS 86 -11.963 -6.169 -10.192 675 2HB HIS 86 1HB HIS 86 -13.170 -7.281 -9.554 676 HD2 HIS 86 2HD HIS 86 -12.364 -3.750 -8.019 677 HE1 HIS 86 1HE HIS 86 -16.366 -3.857 -9.393 678 HE2 HIS 86 2HE HIS 86 -14.576 -2.425 -8.309 679 H HIS 87 H HIS 87 -13.214 -7.343 -6.241 680 HA HIS 87 HA HIS 87 -13.826 -9.231 -5.131 681 1HB HIS 87 2HB HIS 87 -13.493 -10.235 -7.944 682 2HB HIS 87 1HB HIS 87 -13.945 -11.333 -6.645 683 HD2 HIS 87 2HD HIS 87 -16.557 -11.746 -7.127 684 HE1 HIS 87 1HE HIS 87 -17.669 -7.677 -7.471 685 HE2 HIS 87 2HE HIS 87 -18.520 -10.055 -7.245 686 H HIS 88 H HIS 88 -12.984 -11.902 -5.392 687 HA HIS 88 HA HIS 88 -10.458 -11.747 -4.035 688 1HB HIS 88 2HB HIS 88 -11.933 -14.239 -4.900 689 2HB HIS 88 1HB HIS 88 -10.721 -14.102 -3.630 690 HD2 HIS 88 2HD HIS 88 -11.883 -11.779 -1.806 691 HE1 HIS 88 1HE HIS 88 -15.502 -13.971 -1.896 692 HE2 HIS 88 2HE HIS 88 -14.265 -12.042 -0.813 693 H HIS 89 H HIS 89 -11.602 -12.890 -7.166 694 HA HIS 89 HA HIS 89 -8.801 -13.345 -7.960 695 1HB HIS 89 2HB HIS 89 -11.021 -15.050 -8.176 696 2HB HIS 89 1HB HIS 89 -10.725 -14.460 -9.808 697 HD2 HIS 89 2HD HIS 89 -8.409 -15.977 -6.976 698 HE1 HIS 89 1HE HIS 89 -7.295 -17.480 -10.772 699 HE2 HIS 89 2HE HIS 89 -6.704 -17.408 -8.307 Start of MODEL 15 1 1H MET 1 1HT MET 1 -8.161 -30.634 12.234 2 2H MET 1 2HT MET 1 -7.019 -31.477 11.314 3 3H MET 1 3HT MET 1 -8.281 -30.653 10.546 4 HA MET 1 HA MET 1 -6.060 -29.430 12.081 5 1HB MET 1 2HB MET 1 -6.403 -30.222 9.333 6 2HB MET 1 1HB MET 1 -6.217 -28.477 9.429 7 1HG MET 1 2HG MET 1 -4.075 -29.530 9.104 8 2HG MET 1 1HG MET 1 -4.144 -28.770 10.694 9 1HE MET 1 1HE MET 1 -2.833 -31.232 12.882 10 2HE MET 1 2HE MET 1 -4.479 -30.653 13.145 11 3HE MET 1 3HE MET 1 -3.267 -29.577 12.451 12 H ARG 2 H ARG 2 -6.802 -27.725 13.173 13 HA ARG 2 HA ARG 2 -8.209 -25.626 11.829 14 1HB ARG 2 2HB ARG 2 -10.119 -25.649 13.529 15 2HB ARG 2 1HB ARG 2 -10.183 -26.841 12.237 16 1HG ARG 2 2HG ARG 2 -8.815 -28.156 14.227 17 2HG ARG 2 1HG ARG 2 -10.011 -27.210 15.115 18 1HD ARG 2 2HD ARG 2 -10.817 -29.464 14.487 19 2HD ARG 2 1HD ARG 2 -11.801 -28.162 13.819 20 HE ARG 2 HE ARG 2 -10.009 -28.717 11.847 21 1HH1 ARG 2 1HH1 ARG 2 -12.296 -30.611 13.673 22 2HH1 ARG 2 2HH1 ARG 2 -12.570 -31.747 12.395 23 1HH2 ARG 2 1HH2 ARG 2 -10.364 -30.209 10.160 24 2HH2 ARG 2 2HH2 ARG 2 -11.472 -31.520 10.399 25 H GLY 3 H GLY 3 -9.078 -24.064 13.794 26 1HA GLY 3 2HA GLY 3 -8.517 -23.066 15.876 27 2HA GLY 3 1HA GLY 3 -7.015 -23.976 15.878 28 H SER 4 H SER 4 -6.616 -23.185 12.992 29 HA SER 4 HA SER 4 -5.286 -21.677 11.923 30 1HB SER 4 2HB SER 4 -6.206 -19.459 11.723 31 2HB SER 4 1HB SER 4 -7.547 -20.600 11.813 32 HG SER 4 HG SER 4 -6.785 -18.620 13.573 33 H ASN 5 H ASN 5 -4.243 -22.497 14.412 34 HA ASN 5 HA ASN 5 -3.179 -20.109 15.687 35 1HB ASN 5 2HB ASN 5 -3.799 -22.639 16.624 36 2HB ASN 5 1HB ASN 5 -2.040 -22.663 16.541 37 1HD2 ASN 5 1HD2 ASN 5 -4.788 -21.501 18.192 38 2HD2 ASN 5 2HD2 ASN 5 -3.961 -20.592 19.407 39 H ALA 6 H ALA 6 -2.287 -19.832 13.300 40 HA ALA 6 HA ALA 6 -0.471 -19.638 11.946 41 1HB ALA 6 1HB ALA 6 1.753 -19.643 13.094 42 2HB ALA 6 2HB ALA 6 0.920 -20.110 14.576 43 3HB ALA 6 3HB ALA 6 0.557 -18.564 13.808 44 HA PRO 7 HA PRO 7 0.217 -24.235 11.704 45 1HB PRO 7 2HB PRO 7 -1.651 -24.944 9.914 46 2HB PRO 7 1HB PRO 7 -2.026 -24.768 11.631 47 1HG PRO 7 2HG PRO 7 -2.682 -22.978 9.359 48 2HG PRO 7 1HG PRO 7 -3.571 -23.259 10.863 49 1HD PRO 7 2HD PRO 7 -1.851 -21.089 10.282 50 2HD PRO 7 1HD PRO 7 -2.561 -21.493 11.855 51 H GLN 8 H GLN 8 -0.997 -22.560 8.788 52 HA GLN 8 HA GLN 8 1.619 -22.791 7.542 53 1HB GLN 8 2HB GLN 8 0.022 -24.861 7.091 54 2HB GLN 8 1HB GLN 8 -0.676 -23.766 5.906 55 1HG GLN 8 2HG GLN 8 1.379 -23.576 4.741 56 2HG GLN 8 1HG GLN 8 2.259 -24.394 6.033 57 1HE2 GLN 8 1HE2 GLN 8 2.973 -25.685 4.143 58 2HE2 GLN 8 2HE2 GLN 8 2.015 -27.049 3.689 59 HA PRO 9 HA PRO 9 0.030 -18.684 6.531 60 1HB PRO 9 2HB PRO 9 2.651 -18.568 5.143 61 2HB PRO 9 1HB PRO 9 1.943 -17.445 6.309 62 1HG PRO 9 2HG PRO 9 3.925 -19.077 7.023 63 2HG PRO 9 1HG PRO 9 2.584 -18.730 8.133 64 1HD PRO 9 2HD PRO 9 3.076 -21.157 6.451 65 2HD PRO 9 1HD PRO 9 2.457 -21.044 8.113 66 H SER 10 H SER 10 -0.735 -17.690 4.679 67 HA SER 10 HA SER 10 -0.594 -19.309 2.221 68 1HB SER 10 2HB SER 10 -2.850 -19.002 3.493 69 2HB SER 10 1HB SER 10 -2.830 -17.384 2.792 70 HG SER 10 HG SER 10 -3.055 -19.876 1.528 71 H HIS 11 H HIS 11 -0.304 -18.280 0.254 72 HA HIS 11 HA HIS 11 0.560 -16.750 -1.179 73 1HB HIS 11 2HB HIS 11 -0.938 -14.841 0.628 74 2HB HIS 11 1HB HIS 11 -0.276 -14.418 -0.952 75 HD2 HIS 11 2HD HIS 11 -3.466 -14.197 -0.503 76 HE1 HIS 11 1HE HIS 11 -3.602 -17.763 -2.780 77 HE2 HIS 11 2HE HIS 11 -4.903 -15.715 -2.040 78 H ILE 12 H ILE 12 0.855 -13.974 0.712 79 HA ILE 12 HA ILE 12 3.733 -14.433 0.959 80 HB ILE 12 HB ILE 12 3.059 -12.419 -0.254 81 1HG1 ILE 12 2HG1 ILE 12 4.083 -10.880 1.882 82 2HG1 ILE 12 1HG1 ILE 12 4.773 -12.491 2.059 83 1HG2 ILE 12 1HG2 ILE 12 1.071 -12.234 1.684 84 2HG2 ILE 12 2HG2 ILE 12 1.408 -11.077 0.397 85 3HG2 ILE 12 3HG2 ILE 12 2.130 -10.857 1.991 86 1HD1 ILE 12 1HD1 ILE 12 5.771 -10.517 0.480 87 2HD1 ILE 12 2HD1 ILE 12 4.839 -11.470 -0.674 88 3HD1 ILE 12 3HD1 ILE 12 6.102 -12.238 0.287 89 H SER 13 H SER 13 4.843 -14.210 2.870 90 HA SER 13 HA SER 13 3.535 -14.889 5.257 91 1HB SER 13 2HB SER 13 6.214 -14.549 4.395 92 2HB SER 13 1HB SER 13 6.008 -13.541 5.829 93 HG SER 13 HG SER 13 5.264 -15.371 6.938 94 H LYS 14 H LYS 14 4.812 -11.792 4.091 95 HA LYS 14 HA LYS 14 2.789 -10.317 5.453 96 1HB LYS 14 2HB LYS 14 4.583 -8.969 6.775 97 2HB LYS 14 1HB LYS 14 3.970 -10.476 7.441 98 1HG LYS 14 2HG LYS 14 6.074 -11.135 7.649 99 2HG LYS 14 1HG LYS 14 6.152 -11.228 5.889 100 1HD LYS 14 2HD LYS 14 7.278 -9.251 5.699 101 2HD LYS 14 1HD LYS 14 6.544 -8.569 7.151 102 1HE LYS 14 2HE LYS 14 9.089 -9.326 7.069 103 2HE LYS 14 1HE LYS 14 8.113 -9.463 8.531 104 1HZ LYS 14 1HZ LYS 14 9.462 -11.479 7.822 105 2HZ LYS 14 2HZ LYS 14 8.317 -11.688 6.594 106 3HZ LYS 14 3HZ LYS 14 7.838 -11.743 8.215 107 H TYR 15 H TYR 15 2.614 -8.236 4.717 108 HA TYR 15 HA TYR 15 4.487 -7.460 2.576 109 1HB TYR 15 2HB TYR 15 1.690 -7.749 2.553 110 2HB TYR 15 1HB TYR 15 1.975 -6.014 2.577 111 HD1 TYR 15 1HD TYR 15 3.880 -5.243 0.849 112 HD2 TYR 15 2HD TYR 15 1.519 -8.764 0.501 113 HE1 TYR 15 1HE TYR 15 4.288 -5.270 -1.576 114 HE2 TYR 15 2HE TYR 15 1.923 -8.803 -1.923 115 HH TYR 15 HH TYR 15 4.006 -7.733 -3.461 116 H ILE 16 H ILE 16 5.493 -5.482 2.715 117 HA ILE 16 HA ILE 16 4.722 -3.796 5.006 118 HB ILE 16 HB ILE 16 7.448 -4.195 3.781 119 1HG1 ILE 16 2HG1 ILE 16 7.940 -4.493 6.315 120 2HG1 ILE 16 1HG1 ILE 16 6.198 -4.693 6.472 121 1HG2 ILE 16 1HG2 ILE 16 6.355 -1.775 4.796 122 2HG2 ILE 16 2HG2 ILE 16 8.022 -2.104 4.315 123 3HG2 ILE 16 3HG2 ILE 16 7.516 -2.376 5.982 124 1HD1 ILE 16 1HD1 ILE 16 6.210 -6.632 5.123 125 2HD1 ILE 16 2HD1 ILE 16 7.532 -6.805 6.279 126 3HD1 ILE 16 3HD1 ILE 16 7.874 -6.346 4.611 127 H LEU 17 H LEU 17 4.194 -1.758 4.655 128 HA LEU 17 HA LEU 17 4.494 -0.726 1.923 129 1HB LEU 17 2HB LEU 17 2.188 -1.231 3.162 130 2HB LEU 17 1HB LEU 17 2.469 0.378 3.786 131 HG LEU 17 HG LEU 17 2.078 -0.456 0.915 132 1HD1 LEU 17 1HD1 LEU 17 0.657 1.715 2.415 133 2HD1 LEU 17 2HD1 LEU 17 0.141 0.032 2.522 134 3HD1 LEU 17 3HD1 LEU 17 0.151 0.853 0.961 135 1HD2 LEU 17 1HD2 LEU 17 2.359 2.064 0.495 136 2HD2 LEU 17 2HD2 LEU 17 3.803 1.063 0.662 137 3HD2 LEU 17 3HD2 LEU 17 3.261 2.062 2.011 138 H ARG 18 H ARG 18 6.020 0.770 1.826 139 HA ARG 18 HA ARG 18 6.331 2.569 4.127 140 1HB ARG 18 2HB ARG 18 8.446 1.890 2.083 141 2HB ARG 18 1HB ARG 18 8.661 2.821 3.560 142 1HG ARG 18 2HG ARG 18 8.845 0.989 4.840 143 2HG ARG 18 1HG ARG 18 7.598 0.114 3.952 144 1HD ARG 18 2HD ARG 18 9.124 -0.981 2.763 145 2HD ARG 18 1HD ARG 18 9.914 0.525 2.297 146 HE ARG 18 HE ARG 18 10.676 -1.258 4.446 147 1HH1 ARG 18 1HH1 ARG 18 11.008 1.902 3.017 148 2HH1 ARG 18 2HH1 ARG 18 12.522 2.233 3.791 149 1HH2 ARG 18 1HH2 ARG 18 12.668 -0.830 5.468 150 2HH2 ARG 18 2HH2 ARG 18 13.466 0.681 5.183 151 H TRP 19 H TRP 19 5.934 4.664 3.786 152 HA TRP 19 HA TRP 19 6.211 5.734 1.087 153 1HB TRP 19 2HB TRP 19 4.006 6.624 0.957 154 2HB TRP 19 1HB TRP 19 3.849 4.921 1.370 155 HD1 TRP 19 HD TRP 19 3.067 8.387 2.656 156 HE1 TRP 19 1HE TRP 19 1.699 8.197 4.828 157 HE3 TRP 19 3HE TRP 19 3.562 3.369 3.495 158 HZ2 TRP 19 2HZ TRP 19 0.930 6.187 6.654 159 HZ3 TRP 19 3HZ TRP 19 2.478 2.390 5.474 160 HH2 TRP 19 HH TRP 19 1.190 3.772 7.021 161 H ARG 20 H ARG 20 6.035 8.057 0.977 162 HA ARG 20 HA ARG 20 6.227 9.618 3.383 163 1HB ARG 20 2HB ARG 20 8.464 9.524 3.567 164 2HB ARG 20 1HB ARG 20 8.606 8.628 2.065 165 1HG ARG 20 2HG ARG 20 8.119 11.528 1.809 166 2HG ARG 20 1HG ARG 20 9.687 11.043 2.456 167 1HD ARG 20 2HD ARG 20 8.910 9.450 0.159 168 2HD ARG 20 1HD ARG 20 8.965 11.172 -0.217 169 HE ARG 20 HE ARG 20 11.219 9.552 0.756 170 1HH1 ARG 20 1HH1 ARG 20 9.962 12.456 -0.698 171 2HH1 ARG 20 2HH1 ARG 20 11.520 13.060 -1.151 172 1HH2 ARG 20 1HH2 ARG 20 13.280 10.341 0.165 173 2HH2 ARG 20 2HH2 ARG 20 13.406 11.859 -0.661 174 HA PRO 21 HA PRO 21 4.372 12.643 0.767 175 1HB PRO 21 2HB PRO 21 6.201 14.634 2.020 176 2HB PRO 21 1HB PRO 21 4.437 14.647 1.893 177 1HG PRO 21 2HG PRO 21 5.575 14.069 4.209 178 2HG PRO 21 1HG PRO 21 4.172 13.137 3.647 179 1HD PRO 21 2HD PRO 21 7.078 12.395 3.589 180 2HD PRO 21 1HD PRO 21 5.671 11.403 4.032 181 H LYS 22 H LYS 22 4.739 12.954 -1.306 182 HA LYS 22 HA LYS 22 7.382 12.959 -2.412 183 1HB LYS 22 2HB LYS 22 5.293 11.947 -3.451 184 2HB LYS 22 1HB LYS 22 4.812 13.588 -3.859 185 1HG LYS 22 2HG LYS 22 7.065 13.771 -5.041 186 2HG LYS 22 1HG LYS 22 7.146 12.014 -4.888 187 1HD LYS 22 2HD LYS 22 5.150 11.739 -6.171 188 2HD LYS 22 1HD LYS 22 4.827 13.474 -6.145 189 1HE LYS 22 2HE LYS 22 5.775 12.604 -8.295 190 2HE LYS 22 1HE LYS 22 6.684 13.924 -7.558 191 1HZ LYS 22 1HZ LYS 22 7.560 11.315 -6.723 192 2HZ LYS 22 2HZ LYS 22 8.464 12.630 -7.282 193 3HZ LYS 22 3HZ LYS 22 7.735 11.577 -8.386 194 H ASN 23 H ASN 23 4.847 15.358 -1.902 195 HA ASN 23 HA ASN 23 6.353 17.440 -3.231 196 1HB ASN 23 2HB ASN 23 3.853 17.328 -3.295 197 2HB ASN 23 1HB ASN 23 3.836 17.692 -1.573 198 1HD2 ASN 23 1HD2 ASN 23 4.050 19.749 -0.908 199 2HD2 ASN 23 2HD2 ASN 23 4.253 21.101 -1.965 200 H SER 24 H SER 24 5.526 16.505 0.066 201 HA SER 24 HA SER 24 7.143 18.706 1.118 202 1HB SER 24 2HB SER 24 4.796 17.333 2.023 203 2HB SER 24 1HB SER 24 6.070 17.141 3.228 204 HG SER 24 HG SER 24 5.813 19.153 3.748 205 H VAL 25 H VAL 25 8.965 18.385 2.364 206 HA VAL 25 HA VAL 25 10.276 15.819 2.003 207 HB VAL 25 HB VAL 25 11.585 17.802 1.539 208 1HG1 VAL 25 1HG1 VAL 25 12.240 19.080 3.808 209 2HG1 VAL 25 2HG1 VAL 25 10.573 18.645 4.179 210 3HG1 VAL 25 3HG1 VAL 25 10.936 19.600 2.741 211 1HG2 VAL 25 1HG2 VAL 25 12.992 17.114 3.986 212 2HG2 VAL 25 2HG2 VAL 25 13.449 16.844 2.304 213 3HG2 VAL 25 3HG2 VAL 25 12.395 15.694 3.127 214 H GLY 26 H GLY 26 10.611 14.327 3.547 215 1HA GLY 26 2HA GLY 26 10.719 14.895 6.327 216 2HA GLY 26 1HA GLY 26 9.135 14.268 5.898 217 H ARG 27 H ARG 27 9.252 12.315 6.915 218 HA ARG 27 HA ARG 27 11.398 10.499 6.029 219 1HB ARG 27 2HB ARG 27 10.048 9.463 8.323 220 2HB ARG 27 1HB ARG 27 11.732 9.938 8.161 221 1HG ARG 27 2HG ARG 27 11.137 12.240 8.736 222 2HG ARG 27 1HG ARG 27 9.449 11.754 8.907 223 1HD ARG 27 2HD ARG 27 9.815 11.093 10.994 224 2HD ARG 27 1HD ARG 27 11.093 10.005 10.454 225 HE ARG 27 HE ARG 27 12.465 12.221 10.513 226 1HH1 ARG 27 1HH1 ARG 27 10.016 11.189 12.768 227 2HH1 ARG 27 2HH1 ARG 27 10.708 12.040 14.108 228 1HH2 ARG 27 1HH2 ARG 27 13.381 13.348 12.271 229 2HH2 ARG 27 2HH2 ARG 27 12.620 13.270 13.825 230 H TRP 28 H TRP 28 10.610 8.100 6.336 231 HA TRP 28 HA TRP 28 8.256 7.848 4.650 232 1HB TRP 28 2HB TRP 28 10.387 5.900 5.524 233 2HB TRP 28 1HB TRP 28 8.962 5.398 4.619 234 HD1 TRP 28 HD TRP 28 11.747 8.085 4.171 235 HE1 TRP 28 1HE TRP 28 12.399 8.126 1.682 236 HE3 TRP 28 3HE TRP 28 8.483 4.564 2.417 237 HZ2 TRP 28 2HZ TRP 28 11.632 6.835 -0.710 238 HZ3 TRP 28 3HZ TRP 28 8.505 4.024 0.017 239 HH2 TRP 28 HH TRP 28 10.048 5.138 -1.513 240 H LYS 29 H LYS 29 7.328 5.335 5.329 241 HA LYS 29 HA LYS 29 6.648 5.316 8.148 242 1HB LYS 29 2HB LYS 29 4.736 6.123 6.004 243 2HB LYS 29 1HB LYS 29 4.132 5.092 7.294 244 1HG LYS 29 2HG LYS 29 5.579 7.136 8.555 245 2HG LYS 29 1HG LYS 29 4.613 7.913 7.299 246 1HD LYS 29 2HD LYS 29 2.611 6.752 8.165 247 2HD LYS 29 1HD LYS 29 3.596 6.068 9.459 248 1HE LYS 29 2HE LYS 29 2.311 8.072 10.152 249 2HE LYS 29 1HE LYS 29 4.055 8.256 10.341 250 1HZ LYS 29 1HZ LYS 29 2.521 10.067 9.164 251 2HZ LYS 29 2HZ LYS 29 2.935 9.145 7.808 252 3HZ LYS 29 3HZ LYS 29 4.148 9.840 8.761 253 H GLU 30 H GLU 30 5.568 3.305 8.763 254 HA GLU 30 HA GLU 30 5.888 1.223 6.702 255 1HB GLU 30 2HB GLU 30 6.523 1.055 9.648 256 2HB GLU 30 1HB GLU 30 6.520 -0.324 8.556 257 1HG GLU 30 2HG GLU 30 8.463 0.274 7.564 258 2HG GLU 30 1HG GLU 30 8.164 2.000 7.766 259 H ALA 31 H ALA 31 4.240 -0.070 6.322 260 HA ALA 31 HA ALA 31 2.145 -0.437 8.330 261 1HB ALA 31 1HB ALA 31 1.378 1.415 6.922 262 2HB ALA 31 2HB ALA 31 0.376 -0.019 6.696 263 3HB ALA 31 3HB ALA 31 1.585 0.412 5.486 264 H THR 32 H THR 32 2.153 -2.577 8.610 265 HA THR 32 HA THR 32 2.838 -4.343 6.408 266 HB THR 32 HB THR 32 2.293 -4.977 9.312 267 HG1 THR 32 1HG THR 32 4.708 -5.530 8.911 268 1HG2 THR 32 1HG2 THR 32 1.744 -6.848 7.749 269 2HG2 THR 32 2HG2 THR 32 3.079 -7.211 8.845 270 3HG2 THR 32 3HG2 THR 32 3.409 -6.791 7.165 271 H ILE 33 H ILE 33 1.540 -5.840 5.482 272 HA ILE 33 HA ILE 33 -1.233 -6.062 6.389 273 HB ILE 33 HB ILE 33 -0.718 -5.891 3.449 274 1HG1 ILE 33 2HG1 ILE 33 -1.686 -3.369 4.353 275 2HG1 ILE 33 1HG1 ILE 33 -0.218 -3.733 5.255 276 1HG2 ILE 33 1HG2 ILE 33 -3.002 -5.421 3.296 277 2HG2 ILE 33 2HG2 ILE 33 -3.108 -4.940 4.989 278 3HG2 ILE 33 3HG2 ILE 33 -2.891 -6.638 4.567 279 1HD1 ILE 33 1HD1 ILE 33 0.624 -4.357 2.801 280 2HD1 ILE 33 2HD1 ILE 33 0.733 -2.731 3.475 281 3HD1 ILE 33 3HD1 ILE 33 -0.593 -3.149 2.390 282 HA PRO 34 HA PRO 34 0.268 -10.297 5.793 283 1HB PRO 34 2HB PRO 34 -1.930 -11.473 6.917 284 2HB PRO 34 1HB PRO 34 -0.574 -10.838 7.854 285 1HG PRO 34 2HG PRO 34 -3.220 -9.570 7.252 286 2HG PRO 34 1HG PRO 34 -2.324 -9.615 8.783 287 1HD PRO 34 2HD PRO 34 -2.304 -7.441 7.203 288 2HD PRO 34 1HD PRO 34 -0.871 -7.934 8.126 289 H GLY 35 H GLY 35 0.085 -10.261 3.514 290 1HA GLY 35 2HA GLY 35 -0.754 -11.068 1.530 291 2HA GLY 35 1HA GLY 35 -2.008 -11.872 2.464 292 H HIS 36 H HIS 36 -4.015 -10.973 2.609 293 HA HIS 36 HA HIS 36 -4.570 -8.266 1.915 294 1HB HIS 36 2HB HIS 36 -4.149 -9.485 -0.327 295 2HB HIS 36 1HB HIS 36 -5.699 -10.264 -0.029 296 HD2 HIS 36 2HD HIS 36 -6.580 -7.043 1.257 297 HE1 HIS 36 1HE HIS 36 -6.784 -6.479 -2.932 298 HE2 HIS 36 2HE HIS 36 -7.587 -5.641 -0.679 299 H LEU 37 H LEU 37 -5.378 -8.865 4.127 300 HA LEU 37 HA LEU 37 -7.675 -10.537 4.364 301 1HB LEU 37 2HB LEU 37 -7.784 -9.815 6.630 302 2HB LEU 37 1HB LEU 37 -6.091 -10.016 6.223 303 HG LEU 37 HG LEU 37 -7.299 -7.296 5.988 304 1HD1 LEU 37 1HD1 LEU 37 -7.905 -8.443 8.231 305 2HD1 LEU 37 2HD1 LEU 37 -7.211 -6.822 8.246 306 3HD1 LEU 37 3HD1 LEU 37 -6.196 -8.219 8.608 307 1HD2 LEU 37 1HD2 LEU 37 -4.789 -7.248 7.205 308 2HD2 LEU 37 2HD2 LEU 37 -5.168 -6.870 5.524 309 3HD2 LEU 37 3HD2 LEU 37 -4.681 -8.504 5.973 310 H ASN 38 H ASN 38 -7.148 -7.124 3.792 311 HA ASN 38 HA ASN 38 -9.819 -6.786 2.843 312 1HB ASN 38 2HB ASN 38 -10.757 -5.413 4.465 313 2HB ASN 38 1HB ASN 38 -9.905 -6.604 5.443 314 1HD2 ASN 38 1HD2 ASN 38 -7.385 -5.825 5.495 315 2HD2 ASN 38 2HD2 ASN 38 -7.218 -4.240 6.160 316 H SER 39 H SER 39 -10.181 -4.230 2.576 317 HA SER 39 HA SER 39 -8.004 -3.387 0.896 318 1HB SER 39 2HB SER 39 -10.578 -3.094 0.531 319 2HB SER 39 1HB SER 39 -10.369 -1.652 1.524 320 HG SER 39 HG SER 39 -9.566 -0.703 -0.156 321 H TYR 40 H TYR 40 -6.253 -2.521 1.805 322 HA TYR 40 HA TYR 40 -6.467 -0.914 4.219 323 1HB TYR 40 2HB TYR 40 -4.597 -2.675 3.516 324 2HB TYR 40 1HB TYR 40 -3.879 -1.249 2.774 325 HD1 TYR 40 1HD TYR 40 -3.571 0.819 4.296 326 HD2 TYR 40 2HD TYR 40 -4.244 -3.113 5.775 327 HE1 TYR 40 1HE TYR 40 -2.626 1.480 6.468 328 HE2 TYR 40 2HE TYR 40 -3.302 -2.461 7.952 329 HH TYR 40 HH TYR 40 -3.069 0.292 9.108 330 H THR 41 H THR 41 -7.035 1.152 3.984 331 HA THR 41 HA THR 41 -5.916 2.658 1.709 332 HB THR 41 HB THR 41 -8.377 3.503 3.217 333 HG1 THR 41 1HG THR 41 -8.930 2.354 0.831 334 1HG2 THR 41 1HG2 THR 41 -7.618 5.257 1.881 335 2HG2 THR 41 2HG2 THR 41 -8.820 4.469 0.860 336 3HG2 THR 41 3HG2 THR 41 -7.104 4.176 0.586 337 H ILE 42 H ILE 42 -5.040 4.680 2.058 338 HA ILE 42 HA ILE 42 -4.421 5.303 4.866 339 HB ILE 42 HB ILE 42 -2.983 6.291 2.400 340 1HG1 ILE 42 2HG1 ILE 42 -2.773 3.847 2.618 341 2HG1 ILE 42 1HG1 ILE 42 -1.241 4.655 2.933 342 1HG2 ILE 42 1HG2 ILE 42 -1.205 6.871 4.022 343 2HG2 ILE 42 2HG2 ILE 42 -2.291 6.406 5.332 344 3HG2 ILE 42 3HG2 ILE 42 -2.704 7.764 4.284 345 1HD1 ILE 42 1HD1 ILE 42 -3.114 3.728 5.094 346 2HD1 ILE 42 2HD1 ILE 42 -1.460 4.309 5.278 347 3HD1 ILE 42 3HD1 ILE 42 -1.769 2.773 4.471 348 H LYS 43 H LYS 43 -5.282 7.055 5.764 349 HA LYS 43 HA LYS 43 -6.356 9.154 3.996 350 1HB LYS 43 2HB LYS 43 -8.059 7.755 5.234 351 2HB LYS 43 1HB LYS 43 -7.424 8.433 6.726 352 1HG LYS 43 2HG LYS 43 -9.250 9.774 6.288 353 2HG LYS 43 1HG LYS 43 -7.912 10.715 5.627 354 1HD LYS 43 2HD LYS 43 -9.277 10.844 3.825 355 2HD LYS 43 1HD LYS 43 -8.563 9.272 3.457 356 1HE LYS 43 2HE LYS 43 -11.034 9.305 3.260 357 2HE LYS 43 1HE LYS 43 -10.439 8.133 4.435 358 1HZ LYS 43 1HZ LYS 43 -12.397 9.831 4.956 359 2HZ LYS 43 2HZ LYS 43 -11.090 10.779 5.458 360 3HZ LYS 43 3HZ LYS 43 -11.345 9.257 6.151 361 H GLY 44 H GLY 44 -6.273 11.323 4.773 362 1HA GLY 44 2HA GLY 44 -5.586 12.738 6.737 363 2HA GLY 44 1HA GLY 44 -4.141 11.738 6.775 364 H LEU 45 H LEU 45 -5.262 12.349 3.635 365 HA LEU 45 HA LEU 45 -3.120 14.318 3.258 366 1HB LEU 45 2HB LEU 45 -4.410 13.034 0.917 367 2HB LEU 45 1HB LEU 45 -2.734 13.468 1.182 368 HG LEU 45 HG LEU 45 -4.161 11.051 2.282 369 1HD1 LEU 45 1HD1 LEU 45 -3.167 9.843 0.673 370 2HD1 LEU 45 2HD1 LEU 45 -1.699 10.821 0.702 371 3HD1 LEU 45 3HD1 LEU 45 -3.119 11.390 -0.174 372 1HD2 LEU 45 1HD2 LEU 45 -1.480 10.714 2.774 373 2HD2 LEU 45 2HD2 LEU 45 -2.700 11.153 3.971 374 3HD2 LEU 45 3HD2 LEU 45 -1.746 12.410 3.183 375 H LYS 46 H LYS 46 -3.908 15.385 0.808 376 HA LYS 46 HA LYS 46 -6.599 16.374 0.970 377 1HB LYS 46 2HB LYS 46 -6.228 18.584 1.596 378 2HB LYS 46 1HB LYS 46 -5.212 17.675 2.705 379 1HG LYS 46 2HG LYS 46 -3.535 18.157 0.583 380 2HG LYS 46 1HG LYS 46 -4.495 19.631 0.690 381 1HD LYS 46 2HD LYS 46 -2.511 19.853 2.058 382 2HD LYS 46 1HD LYS 46 -3.936 19.782 3.095 383 1HE LYS 46 2HE LYS 46 -3.083 17.128 2.728 384 2HE LYS 46 1HE LYS 46 -1.631 18.075 3.051 385 1HZ LYS 46 1HZ LYS 46 -2.302 18.563 5.143 386 2HZ LYS 46 2HZ LYS 46 -3.123 17.095 4.976 387 3HZ LYS 46 3HZ LYS 46 -3.950 18.554 4.759 388 HA PRO 47 HA PRO 47 -6.014 16.991 -3.352 389 1HB PRO 47 2HB PRO 47 -7.481 19.261 -3.814 390 2HB PRO 47 1HB PRO 47 -8.188 17.657 -3.597 391 1HG PRO 47 2HG PRO 47 -7.895 19.884 -1.621 392 2HG PRO 47 1HG PRO 47 -9.270 18.796 -1.889 393 1HD PRO 47 2HD PRO 47 -7.554 18.435 0.151 394 2HD PRO 47 1HD PRO 47 -8.296 17.066 -0.702 395 H GLY 48 H GLY 48 -3.914 17.497 -3.739 396 1HA GLY 48 2HA GLY 48 -2.826 19.494 -4.901 397 2HA GLY 48 1HA GLY 48 -3.084 20.301 -3.359 398 H VAL 49 H VAL 49 -2.540 17.457 -2.203 399 HA VAL 49 HA VAL 49 0.398 17.705 -2.258 400 HB VAL 49 HB VAL 49 -1.215 16.539 0.007 401 1HG1 VAL 49 1HG1 VAL 49 1.656 17.092 -0.499 402 2HG1 VAL 49 2HG1 VAL 49 0.892 15.753 0.360 403 3HG1 VAL 49 3HG1 VAL 49 1.047 17.328 1.140 404 1HG2 VAL 49 1HG2 VAL 49 -1.798 18.584 0.629 405 2HG2 VAL 49 2HG2 VAL 49 -0.930 19.285 -0.737 406 3HG2 VAL 49 3HG2 VAL 49 -0.090 18.995 0.786 407 H VAL 50 H VAL 50 1.472 16.023 -3.055 408 HA VAL 50 HA VAL 50 0.053 13.455 -3.289 409 HB VAL 50 HB VAL 50 2.312 14.561 -4.964 410 1HG1 VAL 50 1HG1 VAL 50 1.413 12.375 -6.297 411 2HG1 VAL 50 2HG1 VAL 50 1.278 11.834 -4.624 412 3HG1 VAL 50 3HG1 VAL 50 2.830 12.393 -5.248 413 1HG2 VAL 50 1HG2 VAL 50 0.137 13.867 -6.561 414 2HG2 VAL 50 2HG2 VAL 50 0.665 15.494 -6.132 415 3HG2 VAL 50 3HG2 VAL 50 -0.564 14.682 -5.162 416 H TYR 51 H TYR 51 0.871 11.674 -2.368 417 HA TYR 51 HA TYR 51 3.452 11.939 -0.977 418 1HB TYR 51 2HB TYR 51 1.077 10.169 -0.364 419 2HB TYR 51 1HB TYR 51 2.608 10.117 0.504 420 HD1 TYR 51 1HD TYR 51 3.005 11.570 2.304 421 HD2 TYR 51 2HD TYR 51 -0.246 12.347 -0.327 422 HE1 TYR 51 1HE TYR 51 2.200 13.326 3.826 423 HE2 TYR 51 2HE TYR 51 -1.061 14.103 1.188 424 HH TYR 51 HH TYR 51 0.568 14.775 4.268 425 H GLU 52 H GLU 52 5.095 10.710 -1.611 426 HA GLU 52 HA GLU 52 4.633 8.705 -3.670 427 1HB GLU 52 2HB GLU 52 6.678 9.259 -4.402 428 2HB GLU 52 1HB GLU 52 6.662 10.547 -3.210 429 1HG GLU 52 2HG GLU 52 8.502 9.647 -2.379 430 2HG GLU 52 1HG GLU 52 7.496 8.331 -1.779 431 H GLY 53 H GLY 53 4.705 6.541 -3.342 432 1HA GLY 53 2HA GLY 53 5.815 5.586 -0.794 433 2HA GLY 53 1HA GLY 53 4.169 5.164 -1.223 434 H GLN 54 H GLN 54 6.095 3.297 -0.661 435 HA GLN 54 HA GLN 54 6.309 1.888 -3.216 436 1HB GLN 54 2HB GLN 54 8.547 2.276 -3.074 437 2HB GLN 54 1HB GLN 54 8.481 2.619 -1.353 438 1HG GLN 54 2HG GLN 54 8.061 0.015 -1.211 439 2HG GLN 54 1HG GLN 54 8.900 0.046 -2.763 440 1HE2 GLN 54 1HE2 GLN 54 9.278 1.813 0.293 441 2HE2 GLN 54 2HE2 GLN 54 10.956 1.452 0.494 442 H LEU 55 H LEU 55 6.224 -0.443 -3.006 443 HA LEU 55 HA LEU 55 5.255 -1.337 -0.369 444 1HB LEU 55 2HB LEU 55 3.913 -1.382 -2.912 445 2HB LEU 55 1HB LEU 55 4.140 -3.020 -2.332 446 HG LEU 55 HG LEU 55 2.692 -0.782 -0.919 447 1HD1 LEU 55 1HD1 LEU 55 1.693 -2.268 -2.854 448 2HD1 LEU 55 2HD1 LEU 55 0.741 -1.847 -1.431 449 3HD1 LEU 55 3HD1 LEU 55 1.505 -3.432 -1.543 450 1HD2 LEU 55 1HD2 LEU 55 2.169 -2.924 0.593 451 2HD2 LEU 55 2HD2 LEU 55 3.499 -1.811 0.924 452 3HD2 LEU 55 3HD2 LEU 55 3.807 -3.331 0.081 453 H ILE 56 H ILE 56 6.846 -2.556 0.446 454 HA ILE 56 HA ILE 56 8.349 -4.344 -1.316 455 HB ILE 56 HB ILE 56 8.791 -3.539 1.562 456 1HG1 ILE 56 2HG1 ILE 56 10.591 -3.216 -0.840 457 2HG1 ILE 56 1HG1 ILE 56 9.446 -1.994 -0.323 458 1HG2 ILE 56 1HG2 ILE 56 11.029 -4.912 0.713 459 2HG2 ILE 56 2HG2 ILE 56 9.685 -5.903 0.147 460 3HG2 ILE 56 3HG2 ILE 56 9.820 -5.492 1.857 461 1HD1 ILE 56 1HD1 ILE 56 10.768 -1.284 1.325 462 2HD1 ILE 56 2HD1 ILE 56 12.039 -2.150 0.464 463 3HD1 ILE 56 3HD1 ILE 56 11.198 -2.925 1.808 464 H SER 57 H SER 57 8.250 -6.539 -1.196 465 HA SER 57 HA SER 57 6.293 -7.653 0.696 466 1HB SER 57 2HB SER 57 5.156 -8.481 -1.033 467 2HB SER 57 1HB SER 57 6.292 -7.704 -2.135 468 HG SER 57 HG SER 57 5.942 -10.237 -1.895 469 H ILE 58 H ILE 58 7.125 -8.948 2.112 470 HA ILE 58 HA ILE 58 9.575 -10.447 1.458 471 HB ILE 58 HB ILE 58 8.624 -9.632 4.207 472 1HG1 ILE 58 2HG1 ILE 58 11.031 -8.521 2.782 473 2HG1 ILE 58 1HG1 ILE 58 9.441 -7.796 2.570 474 1HG2 ILE 58 1HG2 ILE 58 11.056 -10.251 4.741 475 2HG2 ILE 58 2HG2 ILE 58 11.037 -11.101 3.195 476 3HG2 ILE 58 3HG2 ILE 58 9.910 -11.565 4.471 477 1HD1 ILE 58 1HD1 ILE 58 10.055 -8.193 5.362 478 2HD1 ILE 58 2HD1 ILE 58 9.593 -6.724 4.502 479 3HD1 ILE 58 3HD1 ILE 58 11.284 -7.223 4.550 480 H GLN 59 H GLN 59 9.404 -12.587 1.378 481 HA GLN 59 HA GLN 59 7.013 -13.831 2.550 482 1HB GLN 59 2HB GLN 59 7.989 -15.760 0.925 483 2HB GLN 59 1HB GLN 59 6.816 -14.553 0.421 484 1HG GLN 59 2HG GLN 59 8.777 -13.144 -0.324 485 2HG GLN 59 1HG GLN 59 9.775 -14.576 -0.067 486 1HE2 GLN 59 1HE2 GLN 59 8.206 -16.581 -0.958 487 2HE2 GLN 59 2HE2 GLN 59 7.892 -16.397 -2.646 488 H GLN 60 H GLN 60 7.430 -16.251 3.082 489 HA GLN 60 HA GLN 60 9.256 -16.323 5.234 490 1HB GLN 60 2HB GLN 60 8.699 -18.829 5.190 491 2HB GLN 60 1HB GLN 60 7.380 -17.701 5.477 492 1HG GLN 60 2HG GLN 60 7.118 -17.873 2.863 493 2HG GLN 60 1HG GLN 60 7.936 -19.414 3.117 494 1HE2 GLN 60 1HE2 GLN 60 6.973 -20.495 5.253 495 2HE2 GLN 60 2HE2 GLN 60 5.254 -20.665 5.213 496 H TYR 61 H TYR 61 9.651 -16.931 1.893 497 HA TYR 61 HA TYR 61 12.115 -18.456 2.360 498 1HB TYR 61 2HB TYR 61 10.715 -17.931 -0.268 499 2HB TYR 61 1HB TYR 61 12.035 -19.058 0.019 500 HD1 TYR 61 1HD TYR 61 11.547 -20.919 1.808 501 HD2 TYR 61 2HD TYR 61 8.540 -18.727 -0.254 502 HE1 TYR 61 1HE TYR 61 9.924 -22.703 2.289 503 HE2 TYR 61 2HE TYR 61 6.909 -20.505 0.221 504 HH TYR 61 HH TYR 61 7.812 -23.367 2.122 505 H GLY 62 H GLY 62 11.401 -15.378 2.407 506 1HA GLY 62 2HA GLY 62 13.060 -13.683 2.394 507 2HA GLY 62 1HA GLY 62 13.957 -14.607 1.202 508 H HIS 63 H HIS 63 13.920 -13.857 -0.804 509 HA HIS 63 HA HIS 63 13.388 -12.605 -2.628 510 1HB HIS 63 2HB HIS 63 11.070 -14.067 -1.904 511 2HB HIS 63 1HB HIS 63 10.537 -12.459 -2.387 512 HD2 HIS 63 2HD HIS 63 9.540 -13.132 -4.829 513 HE1 HIS 63 1HE HIS 63 13.141 -14.743 -6.363 514 HE2 HIS 63 2HE HIS 63 10.816 -13.915 -6.946 515 H GLN 64 H GLN 64 11.640 -10.724 -3.297 516 HA GLN 64 HA GLN 64 10.911 -8.892 -1.283 517 1HB GLN 64 2HB GLN 64 13.678 -8.790 -2.157 518 2HB GLN 64 1HB GLN 64 12.844 -7.272 -2.463 519 1HG GLN 64 2HG GLN 64 12.140 -8.143 0.139 520 2HG GLN 64 1HG GLN 64 13.892 -8.268 -0.026 521 1HE2 GLN 64 1HE2 GLN 64 13.210 -6.537 1.760 522 2HE2 GLN 64 2HE2 GLN 64 13.308 -4.906 1.201 523 H GLU 65 H GLU 65 9.062 -8.520 -2.388 524 HA GLU 65 HA GLU 65 9.212 -7.642 -5.177 525 1HB GLU 65 2HB GLU 65 7.462 -9.323 -3.925 526 2HB GLU 65 1HB GLU 65 6.582 -7.805 -3.852 527 1HG GLU 65 2HG GLU 65 6.755 -7.573 -6.272 528 2HG GLU 65 1HG GLU 65 7.659 -9.085 -6.355 529 H VAL 66 H VAL 66 9.402 -5.540 -5.543 530 HA VAL 66 HA VAL 66 8.025 -3.698 -3.715 531 HB VAL 66 HB VAL 66 10.214 -3.473 -3.016 532 1HG1 VAL 66 1HG1 VAL 66 11.223 -3.384 -5.843 533 2HG1 VAL 66 2HG1 VAL 66 11.102 -4.871 -4.900 534 3HG1 VAL 66 3HG1 VAL 66 12.155 -3.565 -4.356 535 1HG2 VAL 66 1HG2 VAL 66 9.064 -1.360 -4.444 536 2HG2 VAL 66 2HG2 VAL 66 10.764 -1.372 -4.911 537 3HG2 VAL 66 3HG2 VAL 66 10.318 -1.255 -3.208 538 H THR 67 H THR 67 6.839 -2.179 -4.608 539 HA THR 67 HA THR 67 7.308 -1.377 -7.387 540 HB THR 67 HB THR 67 4.626 -2.221 -6.268 541 HG1 THR 67 1HG THR 67 5.257 -4.051 -7.124 542 1HG2 THR 67 1HG2 THR 67 4.340 -0.248 -7.649 543 2HG2 THR 67 2HG2 THR 67 3.750 -1.668 -8.513 544 3HG2 THR 67 3HG2 THR 67 5.316 -0.969 -8.929 545 H ARG 68 H ARG 68 7.363 0.784 -7.545 546 HA ARG 68 HA ARG 68 6.587 2.391 -5.268 547 1HB ARG 68 2HB ARG 68 7.541 3.547 -7.865 548 2HB ARG 68 1HB ARG 68 7.810 4.128 -6.228 549 1HG ARG 68 2HG ARG 68 8.996 1.569 -6.415 550 2HG ARG 68 1HG ARG 68 9.480 2.486 -7.842 551 1HD ARG 68 2HD ARG 68 10.639 4.029 -6.628 552 2HD ARG 68 1HD ARG 68 9.586 3.875 -5.223 553 HE ARG 68 HE ARG 68 10.917 2.165 -4.435 554 1HH1 ARG 68 1HH1 ARG 68 11.841 2.983 -7.694 555 2HH1 ARG 68 2HH1 ARG 68 13.301 2.053 -7.650 556 1HH2 ARG 68 1HH2 ARG 68 12.836 0.938 -4.370 557 2HH2 ARG 68 2HH2 ARG 68 13.868 0.892 -5.760 558 H PHE 69 H PHE 69 5.037 4.041 -5.274 559 HA PHE 69 HA PHE 69 3.349 4.459 -7.576 560 1HB PHE 69 2HB PHE 69 1.279 3.905 -6.110 561 2HB PHE 69 1HB PHE 69 2.144 2.591 -6.896 562 HD1 PHE 69 1HD PHE 69 2.109 0.714 -5.594 563 HD2 PHE 69 2HD PHE 69 2.691 4.487 -3.711 564 HE1 PHE 69 1HE PHE 69 2.372 -0.410 -3.424 565 HE2 PHE 69 2HE PHE 69 2.965 3.367 -1.532 566 HZ PHE 69 HZ PHE 69 2.801 0.913 -1.393 567 H ASP 70 H ASP 70 1.840 6.174 -7.315 568 HA ASP 70 HA ASP 70 2.445 7.958 -5.046 569 1HB ASP 70 2HB ASP 70 1.930 8.568 -7.954 570 2HB ASP 70 1HB ASP 70 1.702 9.792 -6.709 571 H PHE 71 H PHE 71 0.707 8.661 -3.852 572 HA PHE 71 HA PHE 71 -1.959 8.393 -5.001 573 1HB PHE 71 2HB PHE 71 -2.800 6.906 -3.377 574 2HB PHE 71 1HB PHE 71 -1.260 6.213 -3.883 575 HD1 PHE 71 1HD PHE 71 0.613 6.113 -2.379 576 HD2 PHE 71 2HD PHE 71 -3.058 7.892 -1.161 577 HE1 PHE 71 1HE PHE 71 1.366 6.055 -0.036 578 HE2 PHE 71 2HE PHE 71 -2.313 7.842 1.181 579 HZ PHE 71 HZ PHE 71 -0.099 6.919 1.747 580 H THR 72 H THR 72 -3.592 9.493 -3.957 581 HA THR 72 HA THR 72 -3.011 11.111 -1.625 582 HB THR 72 HB THR 72 -3.158 13.178 -2.536 583 HG1 THR 72 1HG THR 72 -5.210 13.190 -3.274 584 1HG2 THR 72 1HG2 THR 72 -2.023 13.410 -4.595 585 2HG2 THR 72 2HG2 THR 72 -2.598 11.847 -5.177 586 3HG2 THR 72 3HG2 THR 72 -1.404 11.920 -3.880 587 H THR 73 H THR 73 -5.077 12.262 -0.916 588 HA THR 73 HA THR 73 -7.166 10.367 -0.773 589 HB THR 73 HB THR 73 -7.061 11.767 1.080 590 HG1 THR 73 1HG THR 73 -9.048 13.241 0.661 591 1HG2 THR 73 1HG2 THR 73 -6.685 13.939 -0.929 592 2HG2 THR 73 2HG2 THR 73 -5.761 13.581 0.529 593 3HG2 THR 73 3HG2 THR 73 -7.347 14.344 0.655 594 H THR 74 H THR 74 -6.772 13.313 -2.711 595 HA THR 74 HA THR 74 -9.031 12.414 -4.358 596 HB THR 74 HB THR 74 -10.306 14.084 -3.600 597 HG1 THR 74 1HG THR 74 -9.862 15.151 -5.467 598 1HG2 THR 74 1HG2 THR 74 -8.778 14.326 -1.644 599 2HG2 THR 74 2HG2 THR 74 -9.572 15.829 -2.115 600 3HG2 THR 74 3HG2 THR 74 -7.885 15.549 -2.547 601 H SER 75 H SER 75 -6.207 14.538 -4.102 602 HA SER 75 HA SER 75 -6.116 15.052 -6.931 603 1HB SER 75 2HB SER 75 -5.255 16.591 -5.071 604 2HB SER 75 1HB SER 75 -3.864 15.511 -4.975 605 HG SER 75 HG SER 75 -4.205 17.506 -6.635 606 H THR 76 H THR 76 -6.116 12.261 -6.254 607 HA THR 76 HA THR 76 -3.568 11.089 -6.337 608 HB THR 76 HB THR 76 -5.786 9.656 -7.690 609 HG1 THR 76 1HG THR 76 -6.093 9.536 -4.992 610 1HG2 THR 76 1HG2 THR 76 -3.370 8.973 -6.544 611 2HG2 THR 76 2HG2 THR 76 -4.666 7.856 -6.971 612 3HG2 THR 76 3HG2 THR 76 -4.550 8.485 -5.328 613 H SER 77 H SER 77 -2.554 9.934 -8.090 614 HA SER 77 HA SER 77 -3.248 10.850 -10.784 615 1HB SER 77 2HB SER 77 -0.363 10.857 -9.964 616 2HB SER 77 1HB SER 77 -1.154 11.744 -11.266 617 HG SER 77 HG SER 77 -1.335 13.332 -9.921 618 H THR 78 H THR 78 -3.920 8.416 -10.058 619 HA THR 78 HA THR 78 -2.237 6.732 -11.680 620 HB THR 78 HB THR 78 -2.796 5.484 -9.048 621 HG1 THR 78 1HG THR 78 -1.821 7.129 -8.085 622 1HG2 THR 78 1HG2 THR 78 -0.551 5.409 -11.057 623 2HG2 THR 78 2HG2 THR 78 -1.725 4.143 -10.695 624 3HG2 THR 78 3HG2 THR 78 -0.490 4.565 -9.510 625 HA PRO 79 HA PRO 79 -6.793 6.141 -12.346 626 1HB PRO 79 2HB PRO 79 -5.404 4.657 -14.545 627 2HB PRO 79 1HB PRO 79 -6.878 5.632 -14.608 628 1HG PRO 79 2HG PRO 79 -4.573 6.632 -15.467 629 2HG PRO 79 1HG PRO 79 -5.709 7.639 -14.550 630 1HD PRO 79 2HD PRO 79 -3.125 6.445 -13.696 631 2HD PRO 79 1HD PRO 79 -3.916 7.937 -13.153 632 H GLY 80 H GLY 80 -4.722 3.453 -13.439 633 1HA GLY 80 2HA GLY 80 -5.022 1.738 -11.290 634 2HA GLY 80 1HA GLY 80 -6.452 1.507 -12.283 635 H SER 81 H SER 81 -5.250 1.855 -14.824 636 HA SER 81 HA SER 81 -4.280 -0.763 -15.267 637 1HB SER 81 2HB SER 81 -3.557 0.915 -17.459 638 2HB SER 81 1HB SER 81 -4.885 -0.240 -17.356 639 HG SER 81 HG SER 81 -5.342 2.124 -17.755 640 H ARG 82 H ARG 82 -2.484 -1.008 -13.900 641 HA ARG 82 HA ARG 82 0.016 -0.490 -15.108 642 1HB ARG 82 2HB ARG 82 -0.956 1.603 -13.453 643 2HB ARG 82 1HB ARG 82 0.351 0.813 -12.582 644 1HG ARG 82 2HG ARG 82 1.689 1.049 -14.750 645 2HG ARG 82 1HG ARG 82 0.435 2.189 -15.240 646 1HD ARG 82 2HD ARG 82 2.691 2.650 -13.587 647 2HD ARG 82 1HD ARG 82 1.439 3.790 -14.076 648 HE ARG 82 HE ARG 82 0.187 3.034 -12.076 649 1HH1 ARG 82 1HH1 ARG 82 3.638 2.567 -12.222 650 2HH1 ARG 82 2HH1 ARG 82 3.834 2.532 -10.502 651 1HH2 ARG 82 1HH2 ARG 82 0.437 2.988 -9.813 652 2HH2 ARG 82 2HH2 ARG 82 2.015 2.772 -9.133 653 H SER 83 H SER 83 -1.655 -1.127 -12.052 654 HA SER 83 HA SER 83 0.260 -3.310 -11.553 655 1HB SER 83 2HB SER 83 0.039 -2.918 -9.160 656 2HB SER 83 1HB SER 83 0.552 -1.430 -9.956 657 HG SER 83 HG SER 83 -1.249 -0.511 -9.372 658 H HIS 84 H HIS 84 -2.875 -2.544 -12.287 659 HA HIS 84 HA HIS 84 -4.203 -4.537 -10.686 660 1HB HIS 84 2HB HIS 84 -5.034 -2.301 -12.087 661 2HB HIS 84 1HB HIS 84 -5.639 -3.633 -13.065 662 HD2 HIS 84 2HD HIS 84 -7.586 -1.641 -11.228 663 HE1 HIS 84 1HE HIS 84 -8.160 -5.215 -9.037 664 HE2 HIS 84 2HE HIS 84 -9.162 -2.970 -9.654 665 H HIS 85 H HIS 85 -4.689 -4.327 -14.165 666 HA HIS 85 HA HIS 85 -3.745 -7.105 -14.422 667 1HB HIS 85 2HB HIS 85 -5.792 -6.665 -16.340 668 2HB HIS 85 1HB HIS 85 -5.798 -7.784 -14.982 669 HD2 HIS 85 2HD HIS 85 -7.350 -7.065 -12.833 670 HE1 HIS 85 1HE HIS 85 -8.788 -3.476 -14.553 671 HE2 HIS 85 2HE HIS 85 -9.153 -5.203 -12.734 672 H HIS 86 H HIS 86 -3.396 -7.724 -16.756 673 HA HIS 86 HA HIS 86 -1.946 -5.548 -18.072 674 1HB HIS 86 2HB HIS 86 -1.801 -8.403 -18.968 675 2HB HIS 86 1HB HIS 86 -0.568 -7.149 -19.041 676 HD2 HIS 86 2HD HIS 86 -0.555 -10.263 -17.466 677 HE1 HIS 86 1HE HIS 86 0.459 -7.710 -14.245 678 HE2 HIS 86 2HE HIS 86 0.584 -10.078 -15.142 679 H HIS 87 H HIS 87 -4.351 -4.901 -18.545 680 HA HIS 87 HA HIS 87 -4.971 -5.915 -21.237 681 1HB HIS 87 2HB HIS 87 -6.908 -5.318 -18.997 682 2HB HIS 87 1HB HIS 87 -7.404 -5.486 -20.678 683 HD2 HIS 87 2HD HIS 87 -6.032 -7.685 -17.753 684 HE1 HIS 87 1HE HIS 87 -7.523 -10.185 -20.825 685 HE2 HIS 87 2HE HIS 87 -6.762 -10.086 -18.409 686 H HIS 88 H HIS 88 -3.353 -3.765 -20.916 687 HA HIS 88 HA HIS 88 -4.804 -1.718 -22.273 688 1HB HIS 88 2HB HIS 88 -4.734 -1.530 -19.452 689 2HB HIS 88 1HB HIS 88 -3.611 -0.320 -20.065 690 HD2 HIS 88 2HD HIS 88 -7.294 -0.753 -19.432 691 HE1 HIS 88 1HE HIS 88 -6.898 2.470 -22.147 692 HE2 HIS 88 2HE HIS 88 -8.521 1.116 -20.748 693 H HIS 89 H HIS 89 -2.972 -2.710 -23.571 694 HA HIS 89 HA HIS 89 -0.954 -2.512 -24.597 695 1HB HIS 89 2HB HIS 89 -1.844 0.064 -24.082 696 2HB HIS 89 1HB HIS 89 -0.189 0.073 -23.480 697 HD2 HIS 89 2HD HIS 89 0.804 1.580 -25.550 698 HE1 HIS 89 1HE HIS 89 -0.126 -1.224 -28.582 699 HE2 HIS 89 2HE HIS 89 1.231 0.838 -27.999 Start of MODEL 16 1 1H MET 1 1HT MET 1 9.402 -13.072 11.969 2 2H MET 1 2HT MET 1 8.934 -12.400 13.449 3 3H MET 1 3HT MET 1 7.762 -12.831 12.310 4 HA MET 1 HA MET 1 9.582 -14.912 13.253 5 1HB MET 1 2HB MET 1 7.296 -13.736 14.842 6 2HB MET 1 1HB MET 1 8.006 -15.309 15.180 7 1HG MET 1 2HG MET 1 9.436 -14.280 16.513 8 2HG MET 1 1HG MET 1 10.170 -13.576 15.074 9 1HE MET 1 1HE MET 1 8.868 -12.264 18.569 10 2HE MET 1 2HE MET 1 9.894 -10.943 18.008 11 3HE MET 1 3HE MET 1 10.422 -12.614 17.811 12 H ARG 2 H ARG 2 6.093 -14.164 13.163 13 HA ARG 2 HA ARG 2 5.646 -16.013 11.005 14 1HB ARG 2 2HB ARG 2 5.793 -17.308 13.292 15 2HB ARG 2 1HB ARG 2 4.161 -16.694 13.511 16 1HG ARG 2 2HG ARG 2 4.417 -17.814 10.890 17 2HG ARG 2 1HG ARG 2 4.972 -18.976 12.095 18 1HD ARG 2 2HD ARG 2 2.746 -18.140 13.312 19 2HD ARG 2 1HD ARG 2 2.273 -17.845 11.640 20 HE ARG 2 HE ARG 2 3.267 -20.386 11.627 21 1HH1 ARG 2 1HH1 ARG 2 0.781 -18.728 13.422 22 2HH1 ARG 2 2HH1 ARG 2 -0.191 -20.144 13.633 23 1HH2 ARG 2 1HH2 ARG 2 1.991 -22.255 11.900 24 2HH2 ARG 2 2HH2 ARG 2 0.496 -22.150 12.768 25 H GLY 3 H GLY 3 5.095 -13.185 12.135 26 1HA GLY 3 2HA GLY 3 3.488 -11.633 11.503 27 2HA GLY 3 1HA GLY 3 2.491 -12.952 10.909 28 H SER 4 H SER 4 0.753 -11.684 11.901 29 HA SER 4 HA SER 4 0.313 -12.576 14.641 30 1HB SER 4 2HB SER 4 -0.526 -10.308 15.293 31 2HB SER 4 1HB SER 4 1.211 -10.361 14.992 32 HG SER 4 HG SER 4 0.358 -8.575 13.951 33 H ASN 5 H ASN 5 -1.991 -12.164 15.320 34 HA ASN 5 HA ASN 5 -4.216 -12.493 14.999 35 1HB ASN 5 2HB ASN 5 -3.554 -10.903 12.526 36 2HB ASN 5 1HB ASN 5 -5.192 -11.453 12.865 37 1HD2 ASN 5 1HD2 ASN 5 -5.866 -10.962 15.218 38 2HD2 ASN 5 2HD2 ASN 5 -5.541 -9.352 15.753 39 H ALA 6 H ALA 6 -2.048 -14.293 13.732 40 HA ALA 6 HA ALA 6 -1.926 -16.213 12.520 41 1HB ALA 6 1HB ALA 6 -4.232 -17.454 12.434 42 2HB ALA 6 2HB ALA 6 -4.717 -16.186 13.561 43 3HB ALA 6 3HB ALA 6 -3.373 -17.256 13.961 44 HA PRO 7 HA PRO 7 -3.364 -14.162 8.618 45 1HB PRO 7 2HB PRO 7 -0.749 -15.130 7.672 46 2HB PRO 7 1HB PRO 7 -1.433 -13.505 7.605 47 1HG PRO 7 2HG PRO 7 0.579 -14.111 9.271 48 2HG PRO 7 1HG PRO 7 -0.692 -12.960 9.725 49 1HD PRO 7 2HD PRO 7 -0.366 -15.834 10.513 50 2HD PRO 7 1HD PRO 7 -0.854 -14.442 11.505 51 H GLN 8 H GLN 8 -3.972 -15.115 6.643 52 HA GLN 8 HA GLN 8 -4.540 -17.905 6.780 53 1HB GLN 8 2HB GLN 8 -4.876 -15.902 4.545 54 2HB GLN 8 1HB GLN 8 -5.457 -17.560 4.474 55 1HG GLN 8 2HG GLN 8 -7.337 -16.383 5.098 56 2HG GLN 8 1HG GLN 8 -6.721 -16.973 6.641 57 1HE2 GLN 8 1HE2 GLN 8 -5.525 -14.293 4.690 58 2HE2 GLN 8 2HE2 GLN 8 -5.838 -13.062 5.861 59 HA PRO 9 HA PRO 9 -0.546 -19.069 5.034 60 1HB PRO 9 2HB PRO 9 -1.565 -21.803 5.315 61 2HB PRO 9 1HB PRO 9 -0.164 -21.049 6.078 62 1HG PRO 9 2HG PRO 9 -2.391 -21.689 7.462 63 2HG PRO 9 1HG PRO 9 -1.384 -20.289 7.875 64 1HD PRO 9 2HD PRO 9 -3.982 -20.387 6.391 65 2HD PRO 9 1HD PRO 9 -3.420 -19.218 7.604 66 H SER 10 H SER 10 -1.255 -18.230 2.946 67 HA SER 10 HA SER 10 -1.355 -20.236 0.954 68 1HB SER 10 2HB SER 10 -3.801 -20.023 1.920 69 2HB SER 10 1HB SER 10 -3.856 -18.594 0.888 70 HG SER 10 HG SER 10 -4.322 -19.985 -0.617 71 H HIS 11 H HIS 11 -1.532 -16.934 1.957 72 HA HIS 11 HA HIS 11 -0.879 -16.024 -0.759 73 1HB HIS 11 2HB HIS 11 -1.487 -14.143 1.491 74 2HB HIS 11 1HB HIS 11 -1.758 -13.938 -0.236 75 HD2 HIS 11 2HD HIS 11 -4.057 -15.255 -1.248 76 HE1 HIS 11 1HE HIS 11 -5.743 -15.789 2.598 77 HE2 HIS 11 2HE HIS 11 -6.134 -16.022 0.103 78 H ILE 12 H ILE 12 0.314 -13.581 -0.003 79 HA ILE 12 HA ILE 12 3.000 -14.401 0.340 80 HB ILE 12 HB ILE 12 2.477 -12.397 -0.927 81 1HG1 ILE 12 2HG1 ILE 12 3.861 -10.814 0.929 82 2HG1 ILE 12 1HG1 ILE 12 4.354 -12.469 1.280 83 1HG2 ILE 12 1HG2 ILE 12 1.364 -10.551 -0.131 84 2HG2 ILE 12 2HG2 ILE 12 1.793 -10.882 1.548 85 3HG2 ILE 12 3HG2 ILE 12 0.544 -11.841 0.750 86 1HD1 ILE 12 1HD1 ILE 12 5.731 -11.129 -0.399 87 2HD1 ILE 12 2HD1 ILE 12 4.393 -11.403 -1.514 88 3HD1 ILE 12 3HD1 ILE 12 5.268 -12.775 -0.835 89 H SER 13 H SER 13 4.432 -14.026 2.063 90 HA SER 13 HA SER 13 3.498 -14.571 4.625 91 1HB SER 13 2HB SER 13 5.993 -14.312 3.419 92 2HB SER 13 1HB SER 13 5.987 -13.054 4.655 93 HG SER 13 HG SER 13 6.580 -14.740 5.821 94 H LYS 14 H LYS 14 4.551 -11.460 3.242 95 HA LYS 14 HA LYS 14 2.577 -9.989 4.637 96 1HB LYS 14 2HB LYS 14 4.192 -8.655 6.061 97 2HB LYS 14 1HB LYS 14 3.842 -10.286 6.616 98 1HG LYS 14 2HG LYS 14 5.952 -11.072 5.712 99 2HG LYS 14 1HG LYS 14 6.297 -9.463 5.075 100 1HD LYS 14 2HD LYS 14 5.852 -8.829 7.640 101 2HD LYS 14 1HD LYS 14 6.429 -10.483 7.853 102 1HE LYS 14 2HE LYS 14 8.471 -9.966 6.674 103 2HE LYS 14 1HE LYS 14 7.883 -8.348 6.296 104 1HZ LYS 14 1HZ LYS 14 9.011 -9.379 8.760 105 2HZ LYS 14 2HZ LYS 14 7.676 -8.357 8.953 106 3HZ LYS 14 3HZ LYS 14 9.046 -7.811 8.125 107 H TYR 15 H TYR 15 2.413 -7.888 3.938 108 HA TYR 15 HA TYR 15 4.177 -7.139 1.711 109 1HB TYR 15 2HB TYR 15 1.330 -6.931 2.191 110 2HB TYR 15 1HB TYR 15 2.010 -5.343 1.862 111 HD1 TYR 15 1HD TYR 15 3.363 -5.045 -0.281 112 HD2 TYR 15 2HD TYR 15 0.894 -8.436 0.449 113 HE1 TYR 15 1HE TYR 15 3.323 -5.528 -2.690 114 HE2 TYR 15 2HE TYR 15 0.844 -8.925 -1.960 115 HH TYR 15 HH TYR 15 1.698 -8.406 -3.964 116 H ILE 16 H ILE 16 4.924 -4.924 1.570 117 HA ILE 16 HA ILE 16 5.074 -3.627 4.206 118 HB ILE 16 HB ILE 16 7.209 -4.433 2.557 119 1HG1 ILE 16 2HG1 ILE 16 7.174 -4.262 5.028 120 2HG1 ILE 16 1HG1 ILE 16 8.580 -3.466 4.329 121 1HG2 ILE 16 1HG2 ILE 16 6.730 -1.456 2.430 122 2HG2 ILE 16 2HG2 ILE 16 7.142 -2.569 1.125 123 3HG2 ILE 16 3HG2 ILE 16 8.356 -2.137 2.327 124 1HD1 ILE 16 1HD1 ILE 16 6.126 -2.206 5.515 125 2HD1 ILE 16 2HD1 ILE 16 7.267 -1.304 4.517 126 3HD1 ILE 16 3HD1 ILE 16 7.806 -2.040 6.026 127 H LEU 17 H LEU 17 4.944 -1.438 4.341 128 HA LEU 17 HA LEU 17 4.285 0.011 1.897 129 1HB LEU 17 2HB LEU 17 2.413 -0.667 3.885 130 2HB LEU 17 1HB LEU 17 2.778 1.032 4.132 131 HG LEU 17 HG LEU 17 2.376 0.630 1.342 132 1HD1 LEU 17 1HD1 LEU 17 0.278 -0.612 3.109 133 2HD1 LEU 17 2HD1 LEU 17 1.138 -1.351 1.757 134 3HD1 LEU 17 3HD1 LEU 17 -0.033 -0.066 1.461 135 1HD2 LEU 17 1HD2 LEU 17 2.029 2.717 2.554 136 2HD2 LEU 17 2HD2 LEU 17 0.688 1.991 3.441 137 3HD2 LEU 17 3HD2 LEU 17 0.564 2.235 1.700 138 H ARG 18 H ARG 18 5.901 1.358 1.754 139 HA ARG 18 HA ARG 18 6.709 2.855 4.148 140 1HB ARG 18 2HB ARG 18 8.386 1.692 1.928 141 2HB ARG 18 1HB ARG 18 8.959 3.062 2.871 142 1HG ARG 18 2HG ARG 18 9.573 1.737 4.537 143 2HG ARG 18 1HG ARG 18 7.997 0.940 4.566 144 1HD ARG 18 2HD ARG 18 9.531 -0.755 4.059 145 2HD ARG 18 1HD ARG 18 8.778 -0.350 2.523 146 HE ARG 18 HE ARG 18 10.885 1.139 2.290 147 1HH1 ARG 18 1HH1 ARG 18 10.746 -2.004 3.790 148 2HH1 ARG 18 2HH1 ARG 18 12.392 -2.395 3.420 149 1HH2 ARG 18 1HH2 ARG 18 13.054 0.633 1.801 150 2HH2 ARG 18 2HH2 ARG 18 13.704 -0.896 2.290 151 H TRP 19 H TRP 19 6.427 5.028 3.926 152 HA TRP 19 HA TRP 19 6.635 6.172 1.297 153 1HB TRP 19 2HB TRP 19 4.406 6.661 0.863 154 2HB TRP 19 1HB TRP 19 4.362 5.016 1.479 155 HD1 TRP 19 HD TRP 19 3.234 8.512 2.212 156 HE1 TRP 19 1HE TRP 19 1.609 8.498 4.223 157 HE3 TRP 19 3HE TRP 19 3.836 3.668 3.672 158 HZ2 TRP 19 2HZ TRP 19 0.696 6.642 6.155 159 HZ3 TRP 19 3HZ TRP 19 2.551 2.840 5.600 160 HH2 TRP 19 HH TRP 19 1.014 4.297 6.816 161 H ARG 20 H ARG 20 6.254 8.370 1.135 162 HA ARG 20 HA ARG 20 5.965 10.067 3.424 163 1HB ARG 20 2HB ARG 20 8.117 10.926 3.592 164 2HB ARG 20 1HB ARG 20 8.462 9.233 3.273 165 1HG ARG 20 2HG ARG 20 8.344 11.290 1.091 166 2HG ARG 20 1HG ARG 20 9.820 10.934 1.989 167 1HD ARG 20 2HD ARG 20 9.208 8.455 1.351 168 2HD ARG 20 1HD ARG 20 8.314 9.246 0.052 169 HE ARG 20 HE ARG 20 11.222 9.359 0.458 170 1HH1 ARG 20 1HH1 ARG 20 8.406 9.934 -1.506 171 2HH1 ARG 20 2HH1 ARG 20 9.315 10.284 -2.938 172 1HH2 ARG 20 1HH2 ARG 20 12.432 9.822 -1.421 173 2HH2 ARG 20 2HH2 ARG 20 11.604 10.220 -2.890 174 HA PRO 21 HA PRO 21 4.404 12.846 0.389 175 1HB PRO 21 2HB PRO 21 6.465 14.852 1.019 176 2HB PRO 21 1HB PRO 21 4.716 15.023 0.975 177 1HG PRO 21 2HG PRO 21 5.978 14.903 3.301 178 2HG PRO 21 1HG PRO 21 4.428 14.081 3.045 179 1HD PRO 21 2HD PRO 21 7.179 12.926 3.161 180 2HD PRO 21 1HD PRO 21 5.649 12.259 3.767 181 H LYS 22 H LYS 22 4.696 12.295 -1.628 182 HA LYS 22 HA LYS 22 6.743 11.461 -3.084 183 1HB LYS 22 2HB LYS 22 4.548 11.627 -3.984 184 2HB LYS 22 1HB LYS 22 4.583 13.380 -3.914 185 1HG LYS 22 2HG LYS 22 4.897 12.298 -6.180 186 2HG LYS 22 1HG LYS 22 6.070 13.533 -5.724 187 1HD LYS 22 2HD LYS 22 7.549 11.629 -4.937 188 2HD LYS 22 1HD LYS 22 6.418 10.539 -5.741 189 1HE LYS 22 2HE LYS 22 8.300 12.534 -6.916 190 2HE LYS 22 1HE LYS 22 8.006 10.860 -7.382 191 1HZ LYS 22 1HZ LYS 22 5.772 11.612 -8.164 192 2HZ LYS 22 2HZ LYS 22 7.073 12.236 -9.048 193 3HZ LYS 22 3HZ LYS 22 6.276 13.209 -7.916 194 H ASN 23 H ASN 23 5.955 14.945 -2.805 195 HA ASN 23 HA ASN 23 8.628 15.572 -3.848 196 1HB ASN 23 2HB ASN 23 6.031 17.043 -3.785 197 2HB ASN 23 1HB ASN 23 7.524 17.974 -3.824 198 1HD2 ASN 23 1HD2 ASN 23 8.723 18.044 -5.667 199 2HD2 ASN 23 2HD2 ASN 23 8.213 17.351 -7.166 200 H SER 24 H SER 24 6.457 16.377 -1.163 201 HA SER 24 HA SER 24 8.401 18.007 0.171 202 1HB SER 24 2HB SER 24 6.006 18.429 0.446 203 2HB SER 24 1HB SER 24 5.791 16.835 1.167 204 HG SER 24 HG SER 24 6.528 17.572 2.997 205 H VAL 25 H VAL 25 8.540 17.392 2.723 206 HA VAL 25 HA VAL 25 9.480 14.606 2.875 207 HB VAL 25 HB VAL 25 11.316 15.456 4.394 208 1HG1 VAL 25 1HG1 VAL 25 12.474 16.576 2.212 209 2HG1 VAL 25 2HG1 VAL 25 11.137 15.695 1.473 210 3HG1 VAL 25 3HG1 VAL 25 12.310 14.841 2.476 211 1HG2 VAL 25 1HG2 VAL 25 10.298 17.685 4.786 212 2HG2 VAL 25 2HG2 VAL 25 10.662 18.108 3.112 213 3HG2 VAL 25 3HG2 VAL 25 11.973 17.771 4.242 214 H GLY 26 H GLY 26 8.836 13.502 4.630 215 1HA GLY 26 2HA GLY 26 8.128 14.870 7.085 216 2HA GLY 26 1HA GLY 26 6.774 14.137 6.238 217 H ARG 27 H ARG 27 10.032 12.832 6.332 218 HA ARG 27 HA ARG 27 10.910 10.924 7.191 219 1HB ARG 27 2HB ARG 27 10.475 11.583 9.389 220 2HB ARG 27 1HB ARG 27 8.733 11.486 9.179 221 1HG ARG 27 2HG ARG 27 8.961 9.596 10.363 222 2HG ARG 27 1HG ARG 27 9.396 8.903 8.800 223 1HD ARG 27 2HD ARG 27 11.371 8.335 9.637 224 2HD ARG 27 1HD ARG 27 11.743 10.044 9.862 225 HE ARG 27 HE ARG 27 11.110 9.866 12.113 226 1HH1 ARG 27 1HH1 ARG 27 10.793 6.836 10.414 227 2HH1 ARG 27 2HH1 ARG 27 10.678 5.892 11.861 228 1HH2 ARG 27 1HH2 ARG 27 10.960 8.625 14.019 229 2HH2 ARG 27 2HH2 ARG 27 10.770 6.908 13.907 230 H TRP 28 H TRP 28 10.801 8.779 6.716 231 HA TRP 28 HA TRP 28 8.821 7.860 4.959 232 1HB TRP 28 2HB TRP 28 11.036 6.542 6.488 233 2HB TRP 28 1HB TRP 28 9.869 5.545 5.629 234 HD1 TRP 28 HD TRP 28 13.049 7.346 5.128 235 HE1 TRP 28 1HE TRP 28 13.668 7.421 2.633 236 HE3 TRP 28 3HE TRP 28 8.578 5.865 3.137 237 HZ2 TRP 28 2HZ TRP 28 12.428 6.917 0.148 238 HZ3 TRP 28 3HZ TRP 28 8.375 5.694 0.688 239 HH2 TRP 28 HH TRP 28 10.265 6.205 -0.772 240 H LYS 29 H LYS 29 7.528 5.815 5.325 241 HA LYS 29 HA LYS 29 6.462 5.657 8.064 242 1HB LYS 29 2HB LYS 29 4.784 5.713 5.547 243 2HB LYS 29 1HB LYS 29 4.179 5.508 7.184 244 1HG LYS 29 2HG LYS 29 5.793 7.913 6.839 245 2HG LYS 29 1HG LYS 29 4.349 7.874 5.824 246 1HD LYS 29 2HD LYS 29 3.747 6.969 8.492 247 2HD LYS 29 1HD LYS 29 4.507 8.562 8.530 248 1HE LYS 29 2HE LYS 29 2.744 8.851 6.480 249 2HE LYS 29 1HE LYS 29 1.869 7.745 7.538 250 1HZ LYS 29 1HZ LYS 29 2.305 9.342 9.371 251 2HZ LYS 29 2HZ LYS 29 1.307 9.957 8.152 252 3HZ LYS 29 3HZ LYS 29 2.930 10.426 8.234 253 H GLU 30 H GLU 30 5.334 3.575 8.494 254 HA GLU 30 HA GLU 30 6.040 1.473 6.581 255 1HB GLU 30 2HB GLU 30 7.312 0.221 8.019 256 2HB GLU 30 1HB GLU 30 7.746 1.841 8.534 257 1HG GLU 30 2HG GLU 30 5.491 0.481 9.909 258 2HG GLU 30 1HG GLU 30 7.135 -0.045 10.257 259 H ALA 31 H ALA 31 4.506 0.061 6.229 260 HA ALA 31 HA ALA 31 2.532 -0.563 8.288 261 1HB ALA 31 1HB ALA 31 1.016 0.781 7.339 262 2HB ALA 31 2HB ALA 31 0.941 -0.426 6.054 263 3HB ALA 31 3HB ALA 31 1.983 0.988 5.879 264 H THR 32 H THR 32 2.354 -2.728 8.413 265 HA THR 32 HA THR 32 3.130 -4.303 6.051 266 HB THR 32 HB THR 32 2.911 -5.462 8.810 267 HG1 THR 32 1HG THR 32 5.413 -4.970 8.479 268 1HG2 THR 32 1HG2 THR 32 3.947 -7.261 7.927 269 2HG2 THR 32 2HG2 THR 32 5.039 -6.278 6.954 270 3HG2 THR 32 3HG2 THR 32 3.402 -6.603 6.384 271 H ILE 33 H ILE 33 1.591 -5.291 4.958 272 HA ILE 33 HA ILE 33 -0.874 -6.087 6.370 273 HB ILE 33 HB ILE 33 -1.332 -5.805 3.552 274 1HG1 ILE 33 2HG1 ILE 33 0.545 -4.103 3.885 275 2HG1 ILE 33 1HG1 ILE 33 -0.934 -3.522 3.144 276 1HG2 ILE 33 1HG2 ILE 33 -3.266 -4.736 4.227 277 2HG2 ILE 33 2HG2 ILE 33 -2.508 -4.060 5.666 278 3HG2 ILE 33 3HG2 ILE 33 -2.895 -5.779 5.599 279 1HD1 ILE 33 1HD1 ILE 33 -1.597 -2.439 5.150 280 2HD1 ILE 33 2HD1 ILE 33 0.082 -2.001 4.836 281 3HD1 ILE 33 3HD1 ILE 33 -0.299 -3.210 6.063 282 HA PRO 34 HA PRO 34 0.728 -10.020 4.790 283 1HB PRO 34 2HB PRO 34 -0.823 -11.612 6.325 284 2HB PRO 34 1HB PRO 34 0.624 -10.807 6.947 285 1HG PRO 34 2HG PRO 34 -2.252 -10.017 7.225 286 2HG PRO 34 1HG PRO 34 -0.968 -10.010 8.448 287 1HD PRO 34 2HD PRO 34 -1.770 -7.770 7.132 288 2HD PRO 34 1HD PRO 34 -0.111 -8.004 7.716 289 H GLY 35 H GLY 35 0.024 -10.361 2.761 290 1HA GLY 35 2HA GLY 35 -1.324 -11.060 1.042 291 2HA GLY 35 1HA GLY 35 -2.326 -11.824 2.266 292 H HIS 36 H HIS 36 -4.364 -11.187 2.202 293 HA HIS 36 HA HIS 36 -4.970 -8.357 1.849 294 1HB HIS 36 2HB HIS 36 -6.704 -8.843 0.156 295 2HB HIS 36 1HB HIS 36 -5.087 -9.247 -0.411 296 HD2 HIS 36 2HD HIS 36 -4.768 -12.259 0.621 297 HE1 HIS 36 1HE HIS 36 -8.493 -12.917 -1.273 298 HE2 HIS 36 2HE HIS 36 -6.493 -14.023 -0.178 299 H LEU 37 H LEU 37 -5.258 -8.933 4.203 300 HA LEU 37 HA LEU 37 -7.409 -10.548 5.057 301 1HB LEU 37 2HB LEU 37 -7.187 -9.275 7.203 302 2HB LEU 37 1HB LEU 37 -5.708 -10.022 6.630 303 HG LEU 37 HG LEU 37 -6.181 -7.181 5.886 304 1HD1 LEU 37 1HD1 LEU 37 -6.810 -7.381 8.299 305 2HD1 LEU 37 2HD1 LEU 37 -5.432 -6.329 7.978 306 3HD1 LEU 37 3HD1 LEU 37 -5.172 -7.954 8.614 307 1HD2 LEU 37 1HD2 LEU 37 -4.181 -7.935 5.040 308 2HD2 LEU 37 2HD2 LEU 37 -3.874 -8.996 6.416 309 3HD2 LEU 37 3HD2 LEU 37 -3.661 -7.252 6.582 310 H ASN 38 H ASN 38 -7.179 -7.194 4.084 311 HA ASN 38 HA ASN 38 -9.928 -6.973 3.535 312 1HB ASN 38 2HB ASN 38 -10.396 -5.156 5.280 313 2HB ASN 38 1HB ASN 38 -10.400 -6.825 5.844 314 1HD2 ASN 38 1HD2 ASN 38 -8.041 -4.217 5.328 315 2HD2 ASN 38 2HD2 ASN 38 -7.229 -4.427 6.839 316 H SER 39 H SER 39 -10.407 -4.332 3.604 317 HA SER 39 HA SER 39 -8.483 -3.322 1.690 318 1HB SER 39 2HB SER 39 -11.193 -2.417 2.632 319 2HB SER 39 1HB SER 39 -10.168 -1.347 1.676 320 HG SER 39 HG SER 39 -10.561 -2.509 -0.039 321 H TYR 40 H TYR 40 -6.674 -2.491 2.540 322 HA TYR 40 HA TYR 40 -6.808 -0.907 4.989 323 1HB TYR 40 2HB TYR 40 -5.047 -2.607 4.826 324 2HB TYR 40 1HB TYR 40 -4.422 -1.837 3.373 325 HD1 TYR 40 1HD TYR 40 -3.089 0.168 3.505 326 HD2 TYR 40 2HD TYR 40 -4.750 -1.555 7.023 327 HE1 TYR 40 1HE TYR 40 -1.628 1.587 4.883 328 HE2 TYR 40 2HE TYR 40 -3.291 -0.141 8.411 329 HH TYR 40 HH TYR 40 -0.743 1.128 7.703 330 H THR 41 H THR 41 -7.385 1.145 4.678 331 HA THR 41 HA THR 41 -6.312 2.574 2.343 332 HB THR 41 HB THR 41 -8.194 3.851 2.241 333 HG1 THR 41 1HG THR 41 -9.304 3.670 4.698 334 1HG2 THR 41 1HG2 THR 41 -10.084 2.521 2.435 335 2HG2 THR 41 2HG2 THR 41 -9.526 1.765 3.928 336 3HG2 THR 41 3HG2 THR 41 -8.792 1.321 2.386 337 H ILE 42 H ILE 42 -5.155 4.433 2.561 338 HA ILE 42 HA ILE 42 -4.216 5.058 5.268 339 HB ILE 42 HB ILE 42 -3.046 5.945 2.628 340 1HG1 ILE 42 2HG1 ILE 42 -1.360 4.119 4.015 341 2HG1 ILE 42 1HG1 ILE 42 -2.962 3.393 3.915 342 1HG2 ILE 42 1HG2 ILE 42 -1.230 6.789 3.819 343 2HG2 ILE 42 2HG2 ILE 42 -1.650 5.896 5.280 344 3HG2 ILE 42 3HG2 ILE 42 -2.624 7.278 4.780 345 1HD1 ILE 42 1HD1 ILE 42 -2.952 3.697 1.499 346 2HD1 ILE 42 2HD1 ILE 42 -1.567 2.744 2.036 347 3HD1 ILE 42 3HD1 ILE 42 -1.355 4.439 1.595 348 H LYS 43 H LYS 43 -4.683 6.942 6.239 349 HA LYS 43 HA LYS 43 -5.944 9.040 4.605 350 1HB LYS 43 2HB LYS 43 -6.811 7.765 7.107 351 2HB LYS 43 1HB LYS 43 -6.908 9.520 7.112 352 1HG LYS 43 2HG LYS 43 -8.924 9.177 6.204 353 2HG LYS 43 1HG LYS 43 -8.014 8.960 4.706 354 1HD LYS 43 2HD LYS 43 -8.774 6.878 4.555 355 2HD LYS 43 1HD LYS 43 -7.995 6.486 6.089 356 1HE LYS 43 2HE LYS 43 -10.705 7.782 5.892 357 2HE LYS 43 1HE LYS 43 -10.473 6.036 5.972 358 1HZ LYS 43 1HZ LYS 43 -10.151 6.138 8.153 359 2HZ LYS 43 2HZ LYS 43 -10.688 7.741 8.096 360 3HZ LYS 43 3HZ LYS 43 -9.033 7.402 8.023 361 H GLY 44 H GLY 44 -3.736 9.815 4.369 362 1HA GLY 44 2HA GLY 44 -3.111 11.757 6.455 363 2HA GLY 44 1HA GLY 44 -1.849 10.592 6.066 364 H LEU 45 H LEU 45 -3.804 11.252 3.444 365 HA LEU 45 HA LEU 45 -1.951 13.278 2.372 366 1HB LEU 45 2HB LEU 45 -3.315 11.310 0.576 367 2HB LEU 45 1HB LEU 45 -1.820 12.188 0.325 368 HG LEU 45 HG LEU 45 -0.748 10.691 2.041 369 1HD1 LEU 45 1HD1 LEU 45 -2.590 8.524 1.749 370 2HD1 LEU 45 2HD1 LEU 45 -3.408 9.910 2.471 371 3HD1 LEU 45 3HD1 LEU 45 -1.953 9.257 3.220 372 1HD2 LEU 45 1HD2 LEU 45 -0.444 10.345 -0.345 373 2HD2 LEU 45 2HD2 LEU 45 -1.928 9.394 -0.409 374 3HD2 LEU 45 3HD2 LEU 45 -0.540 8.801 0.503 375 H LYS 46 H LYS 46 -3.461 13.311 -0.129 376 HA LYS 46 HA LYS 46 -6.093 13.644 -0.160 377 1HB LYS 46 2HB LYS 46 -6.464 16.066 0.332 378 2HB LYS 46 1HB LYS 46 -6.100 15.107 1.756 379 1HG LYS 46 2HG LYS 46 -3.626 15.991 0.929 380 2HG LYS 46 1HG LYS 46 -4.685 17.367 0.606 381 1HD LYS 46 2HD LYS 46 -5.551 16.648 3.062 382 2HD LYS 46 1HD LYS 46 -3.857 16.166 3.170 383 1HE LYS 46 2HE LYS 46 -4.641 18.606 3.800 384 2HE LYS 46 1HE LYS 46 -3.092 18.310 3.012 385 1HZ LYS 46 1HZ LYS 46 -4.545 20.135 2.062 386 2HZ LYS 46 2HZ LYS 46 -5.538 18.905 1.460 387 3HZ LYS 46 3HZ LYS 46 -3.925 19.009 0.961 388 HA PRO 47 HA PRO 47 -5.373 15.046 -4.257 389 1HB PRO 47 2HB PRO 47 -7.174 17.154 -4.502 390 2HB PRO 47 1HB PRO 47 -7.538 15.446 -4.773 391 1HG PRO 47 2HG PRO 47 -8.046 17.134 -2.367 392 2HG PRO 47 1HG PRO 47 -9.040 15.844 -3.070 393 1HD PRO 47 2HD PRO 47 -7.568 15.439 -0.867 394 2HD PRO 47 1HD PRO 47 -7.784 14.167 -2.088 395 H GLY 48 H GLY 48 -4.826 17.022 -1.587 396 1HA GLY 48 2HA GLY 48 -3.747 19.262 -3.107 397 2HA GLY 48 1HA GLY 48 -3.833 19.134 -1.355 398 H VAL 49 H VAL 49 -2.556 16.737 -0.889 399 HA VAL 49 HA VAL 49 0.170 17.299 -1.868 400 HB VAL 49 HB VAL 49 0.328 15.608 0.381 401 1HG1 VAL 49 1HG1 VAL 49 2.081 17.069 -0.282 402 2HG1 VAL 49 2HG1 VAL 49 1.557 17.552 1.337 403 3HG1 VAL 49 3HG1 VAL 49 1.052 18.491 -0.068 404 1HG2 VAL 49 1HG2 VAL 49 -1.620 16.137 1.425 405 2HG2 VAL 49 2HG2 VAL 49 -1.725 17.731 0.667 406 3HG2 VAL 49 3HG2 VAL 49 -0.615 17.466 2.013 407 H VAL 50 H VAL 50 1.352 15.712 -2.744 408 HA VAL 50 HA VAL 50 0.042 13.103 -3.055 409 HB VAL 50 HB VAL 50 0.534 14.084 -5.184 410 1HG1 VAL 50 1HG1 VAL 50 3.417 14.196 -5.065 411 2HG1 VAL 50 2HG1 VAL 50 2.677 15.280 -3.888 412 3HG1 VAL 50 3HG1 VAL 50 2.263 15.418 -5.597 413 1HG2 VAL 50 1HG2 VAL 50 1.818 11.672 -4.283 414 2HG2 VAL 50 2HG2 VAL 50 2.735 12.413 -5.595 415 3HG2 VAL 50 3HG2 VAL 50 1.033 12.016 -5.825 416 H TYR 51 H TYR 51 0.765 11.530 -1.771 417 HA TYR 51 HA TYR 51 3.483 11.749 -0.688 418 1HB TYR 51 2HB TYR 51 1.096 10.149 0.229 419 2HB TYR 51 1HB TYR 51 2.702 9.983 0.926 420 HD1 TYR 51 1HD TYR 51 3.302 11.300 2.729 421 HD2 TYR 51 2HD TYR 51 0.099 12.568 0.230 422 HE1 TYR 51 1HE TYR 51 2.850 13.160 4.268 423 HE2 TYR 51 2HE TYR 51 -0.356 14.440 1.762 424 HH TYR 51 HH TYR 51 1.304 14.747 4.840 425 H GLU 52 H GLU 52 5.041 10.435 -1.402 426 HA GLU 52 HA GLU 52 4.402 8.446 -3.375 427 1HB GLU 52 2HB GLU 52 6.389 9.590 -3.848 428 2HB GLU 52 1HB GLU 52 6.939 9.518 -2.181 429 1HG GLU 52 2HG GLU 52 7.974 7.577 -2.490 430 2HG GLU 52 1HG GLU 52 6.625 6.897 -3.397 431 H GLY 53 H GLY 53 4.050 6.369 -3.022 432 1HA GLY 53 2HA GLY 53 4.711 5.296 -0.356 433 2HA GLY 53 1HA GLY 53 3.302 4.811 -1.281 434 H GLN 54 H GLN 54 5.156 3.025 -0.176 435 HA GLN 54 HA GLN 54 6.210 1.856 -2.666 436 1HB GLN 54 2HB GLN 54 8.068 2.884 -1.413 437 2HB GLN 54 1HB GLN 54 7.667 1.885 -0.021 438 1HG GLN 54 2HG GLN 54 8.616 0.046 -0.895 439 2HG GLN 54 1HG GLN 54 8.113 0.435 -2.539 440 1HE2 GLN 54 1HE2 GLN 54 9.938 2.497 -0.350 441 2HE2 GLN 54 2HE2 GLN 54 11.383 2.535 -1.294 442 H LEU 55 H LEU 55 5.182 0.020 -3.017 443 HA LEU 55 HA LEU 55 4.283 -1.587 -0.733 444 1HB LEU 55 2HB LEU 55 3.208 -1.014 -3.346 445 2HB LEU 55 1HB LEU 55 3.325 -2.744 -3.070 446 HG LEU 55 HG LEU 55 1.156 -1.951 -2.393 447 1HD1 LEU 55 1HD1 LEU 55 1.530 -2.405 0.222 448 2HD1 LEU 55 2HD1 LEU 55 3.037 -3.047 -0.432 449 3HD1 LEU 55 3HD1 LEU 55 1.490 -3.675 -0.999 450 1HD2 LEU 55 1HD2 LEU 55 2.714 0.179 -1.172 451 2HD2 LEU 55 2HD2 LEU 55 1.444 -0.468 -0.135 452 3HD2 LEU 55 3HD2 LEU 55 1.040 0.173 -1.727 453 H ILE 56 H ILE 56 5.858 -2.961 -0.125 454 HA ILE 56 HA ILE 56 7.261 -4.452 -2.243 455 HB ILE 56 HB ILE 56 8.249 -3.802 0.535 456 1HG1 ILE 56 2HG1 ILE 56 9.448 -2.885 -2.066 457 2HG1 ILE 56 1HG1 ILE 56 8.171 -1.970 -1.276 458 1HG2 ILE 56 1HG2 ILE 56 8.971 -5.907 -1.193 459 2HG2 ILE 56 2HG2 ILE 56 9.753 -5.412 0.309 460 3HG2 ILE 56 3HG2 ILE 56 10.285 -4.731 -1.228 461 1HD1 ILE 56 1HD1 ILE 56 10.344 -1.073 -0.716 462 2HD1 ILE 56 2HD1 ILE 56 10.854 -2.645 -0.098 463 3HD1 ILE 56 3HD1 ILE 56 9.570 -1.752 0.717 464 H SER 57 H SER 57 6.732 -6.530 -2.387 465 HA SER 57 HA SER 57 5.291 -7.812 -0.239 466 1HB SER 57 2HB SER 57 6.257 -9.345 -2.613 467 2HB SER 57 1HB SER 57 4.723 -9.457 -1.748 468 HG SER 57 HG SER 57 5.367 -7.128 -3.184 469 H ILE 58 H ILE 58 6.031 -9.349 1.083 470 HA ILE 58 HA ILE 58 8.901 -9.971 0.951 471 HB ILE 58 HB ILE 58 7.172 -9.373 3.327 472 1HG1 ILE 58 2HG1 ILE 58 9.683 -8.230 3.601 473 2HG1 ILE 58 1HG1 ILE 58 9.372 -8.138 1.868 474 1HG2 ILE 58 1HG2 ILE 58 9.689 -10.050 4.305 475 2HG2 ILE 58 2HG2 ILE 58 9.274 -11.350 3.187 476 3HG2 ILE 58 3HG2 ILE 58 8.190 -10.955 4.521 477 1HD1 ILE 58 1HD1 ILE 58 8.099 -6.366 2.203 478 2HD1 ILE 58 2HD1 ILE 58 8.381 -6.481 3.941 479 3HD1 ILE 58 3HD1 ILE 58 7.017 -7.328 3.210 480 H GLN 59 H GLN 59 9.528 -12.017 0.930 481 HA GLN 59 HA GLN 59 7.538 -14.122 0.938 482 1HB GLN 59 2HB GLN 59 10.065 -13.741 -0.261 483 2HB GLN 59 1HB GLN 59 10.256 -15.085 0.856 484 1HG GLN 59 2HG GLN 59 8.250 -14.874 -1.377 485 2HG GLN 59 1HG GLN 59 9.679 -15.905 -1.331 486 1HE2 GLN 59 1HE2 GLN 59 9.735 -17.598 0.271 487 2HE2 GLN 59 2HE2 GLN 59 8.258 -18.322 0.797 488 H GLN 60 H GLN 60 8.609 -16.268 2.051 489 HA GLN 60 HA GLN 60 8.267 -15.890 4.813 490 1HB GLN 60 2HB GLN 60 8.856 -18.205 5.061 491 2HB GLN 60 1HB GLN 60 7.916 -18.042 3.584 492 1HG GLN 60 2HG GLN 60 9.628 -18.657 2.264 493 2HG GLN 60 1HG GLN 60 10.831 -17.837 3.259 494 1HE2 GLN 60 1HE2 GLN 60 10.588 -20.605 2.063 495 2HE2 GLN 60 2HE2 GLN 60 10.922 -21.667 3.385 496 H TYR 61 H TYR 61 11.084 -15.834 2.762 497 HA TYR 61 HA TYR 61 12.833 -15.557 5.103 498 1HB TYR 61 2HB TYR 61 14.655 -15.715 3.259 499 2HB TYR 61 1HB TYR 61 13.792 -17.174 3.729 500 HD1 TYR 61 1HD TYR 61 13.540 -14.395 1.234 501 HD2 TYR 61 2HD TYR 61 12.966 -18.530 2.057 502 HE1 TYR 61 1HE TYR 61 12.903 -14.767 -1.112 503 HE2 TYR 61 2HE TYR 61 12.327 -18.914 -0.287 504 HH TYR 61 HH TYR 61 12.917 -17.555 -2.603 505 H GLY 62 H GLY 62 11.120 -13.666 3.000 506 1HA GLY 62 2HA GLY 62 11.197 -11.272 3.270 507 2HA GLY 62 1HA GLY 62 12.937 -11.395 3.476 508 H HIS 63 H HIS 63 11.596 -9.635 1.683 509 HA HIS 63 HA HIS 63 11.828 -8.824 -0.429 510 1HB HIS 63 2HB HIS 63 13.905 -10.991 -0.451 511 2HB HIS 63 1HB HIS 63 13.537 -10.095 -1.921 512 HD2 HIS 63 2HD HIS 63 13.783 -7.162 -1.436 513 HE1 HIS 63 1HE HIS 63 16.933 -7.890 1.294 514 HE2 HIS 63 2HE HIS 63 15.860 -6.176 -0.235 515 H GLN 64 H GLN 64 10.625 -8.985 -2.250 516 HA GLN 64 HA GLN 64 10.031 -11.471 -3.513 517 1HB GLN 64 2HB GLN 64 8.209 -10.485 -1.455 518 2HB GLN 64 1HB GLN 64 7.422 -10.769 -3.001 519 1HG GLN 64 2HG GLN 64 8.850 -12.707 -1.233 520 2HG GLN 64 1HG GLN 64 7.194 -12.767 -1.837 521 1HE2 GLN 64 1HE2 GLN 64 10.491 -13.501 -2.465 522 2HE2 GLN 64 2HE2 GLN 64 10.253 -14.329 -3.964 523 H GLU 65 H GLU 65 8.495 -8.297 -2.989 524 HA GLU 65 HA GLU 65 8.763 -7.713 -5.845 525 1HB GLU 65 2HB GLU 65 6.465 -8.794 -4.989 526 2HB GLU 65 1HB GLU 65 6.132 -7.114 -4.601 527 1HG GLU 65 2HG GLU 65 5.317 -7.114 -6.705 528 2HG GLU 65 1HG GLU 65 7.004 -6.791 -7.105 529 H VAL 66 H VAL 66 8.863 -5.506 -6.333 530 HA VAL 66 HA VAL 66 8.538 -3.639 -4.088 531 HB VAL 66 HB VAL 66 10.909 -3.630 -5.957 532 1HG1 VAL 66 1HG1 VAL 66 10.763 -1.412 -5.537 533 2HG1 VAL 66 2HG1 VAL 66 11.524 -1.870 -4.013 534 3HG1 VAL 66 3HG1 VAL 66 9.775 -1.640 -4.095 535 1HG2 VAL 66 1HG2 VAL 66 11.829 -3.745 -3.360 536 2HG2 VAL 66 2HG2 VAL 66 11.764 -5.090 -4.497 537 3HG2 VAL 66 3HG2 VAL 66 10.447 -4.839 -3.351 538 H THR 67 H THR 67 7.218 -2.030 -4.612 539 HA THR 67 HA THR 67 7.267 -0.960 -7.342 540 HB THR 67 HB THR 67 4.593 -0.746 -6.646 541 HG1 THR 67 1HG THR 67 5.454 -3.415 -6.133 542 1HG2 THR 67 1HG2 THR 67 4.220 -1.897 -8.607 543 2HG2 THR 67 2HG2 THR 67 5.517 -3.051 -8.302 544 3HG2 THR 67 3HG2 THR 67 5.900 -1.413 -8.830 545 H ARG 68 H ARG 68 7.565 1.180 -7.270 546 HA ARG 68 HA ARG 68 6.748 2.623 -4.838 547 1HB ARG 68 2HB ARG 68 8.496 4.170 -6.506 548 2HB ARG 68 1HB ARG 68 8.750 3.606 -4.860 549 1HG ARG 68 2HG ARG 68 10.454 2.469 -5.743 550 2HG ARG 68 1HG ARG 68 9.223 1.336 -6.278 551 1HD ARG 68 2HD ARG 68 9.977 3.699 -7.956 552 2HD ARG 68 1HD ARG 68 10.938 2.223 -7.993 553 HE ARG 68 HE ARG 68 8.731 1.111 -8.582 554 1HH1 ARG 68 1HH1 ARG 68 9.508 4.399 -9.436 555 2HH1 ARG 68 2HH1 ARG 68 8.473 4.417 -10.825 556 1HH2 ARG 68 1HH2 ARG 68 7.369 1.126 -10.409 557 2HH2 ARG 68 2HH2 ARG 68 7.258 2.558 -11.379 558 H PHE 69 H PHE 69 5.075 3.952 -4.995 559 HA PHE 69 HA PHE 69 4.626 5.531 -7.397 560 1HB PHE 69 2HB PHE 69 2.634 3.496 -6.394 561 2HB PHE 69 1HB PHE 69 2.196 4.826 -7.459 562 HD1 PHE 69 1HD PHE 69 3.273 4.954 -9.733 563 HD2 PHE 69 2HD PHE 69 3.560 1.522 -7.234 564 HE1 PHE 69 1HE PHE 69 3.883 3.589 -11.686 565 HE2 PHE 69 2HE PHE 69 4.170 0.150 -9.183 566 HZ PHE 69 HZ PHE 69 4.334 1.183 -11.412 567 H ASP 70 H ASP 70 3.879 7.514 -6.907 568 HA ASP 70 HA ASP 70 3.115 8.062 -4.149 569 1HB ASP 70 2HB ASP 70 3.291 10.459 -4.908 570 2HB ASP 70 1HB ASP 70 4.785 9.539 -5.049 571 H PHE 71 H PHE 71 1.114 8.782 -3.546 572 HA PHE 71 HA PHE 71 -0.884 9.277 -5.625 573 1HB PHE 71 2HB PHE 71 -2.451 7.720 -4.652 574 2HB PHE 71 1HB PHE 71 -0.944 6.871 -5.002 575 HD1 PHE 71 1HD PHE 71 0.676 6.460 -3.088 576 HD2 PHE 71 2HD PHE 71 -3.347 7.735 -2.497 577 HE1 PHE 71 1HE PHE 71 0.772 5.681 -0.759 578 HE2 PHE 71 2HE PHE 71 -3.254 6.946 -0.167 579 HZ PHE 71 HZ PHE 71 -1.192 5.920 0.704 580 H THR 72 H THR 72 -2.904 10.207 -4.779 581 HA THR 72 HA THR 72 -2.751 11.461 -2.143 582 HB THR 72 HB THR 72 -2.223 13.502 -2.888 583 HG1 THR 72 1HG THR 72 -4.318 13.319 -4.803 584 1HG2 THR 72 1HG2 THR 72 -2.153 12.080 -5.521 585 2HG2 THR 72 2HG2 THR 72 -0.824 12.764 -4.587 586 3HG2 THR 72 3HG2 THR 72 -1.931 13.828 -5.454 587 H THR 73 H THR 73 -4.777 11.649 -1.192 588 HA THR 73 HA THR 73 -7.215 12.227 -2.323 589 HB THR 73 HB THR 73 -7.093 10.417 -3.853 590 HG1 THR 73 1HG THR 73 -8.557 9.075 -1.881 591 1HG2 THR 73 1HG2 THR 73 -5.808 8.646 -3.439 592 2HG2 THR 73 2HG2 THR 73 -6.813 8.185 -2.062 593 3HG2 THR 73 3HG2 THR 73 -5.481 9.333 -1.840 594 H THR 74 H THR 74 -7.111 12.965 0.018 595 HA THR 74 HA THR 74 -8.688 11.202 1.628 596 HB THR 74 HB THR 74 -7.246 10.376 3.114 597 HG1 THR 74 1HG THR 74 -5.737 11.728 4.218 598 1HG2 THR 74 1HG2 THR 74 -5.273 11.471 1.130 599 2HG2 THR 74 2HG2 THR 74 -5.806 9.805 1.356 600 3HG2 THR 74 3HG2 THR 74 -4.750 10.561 2.548 601 H SER 75 H SER 75 -8.470 12.344 4.096 602 HA SER 75 HA SER 75 -8.967 14.161 5.375 603 1HB SER 75 2HB SER 75 -7.340 15.287 3.451 604 2HB SER 75 1HB SER 75 -8.814 16.246 3.324 605 HG SER 75 HG SER 75 -7.398 17.110 4.882 606 H THR 76 H THR 76 -11.075 13.137 5.258 607 HA THR 76 HA THR 76 -13.019 14.652 3.650 608 HB THR 76 HB THR 76 -14.005 12.231 4.984 609 HG1 THR 76 1HG THR 76 -11.798 11.653 4.349 610 1HG2 THR 76 1HG2 THR 76 -14.212 13.578 2.333 611 2HG2 THR 76 2HG2 THR 76 -15.487 13.043 3.427 612 3HG2 THR 76 3HG2 THR 76 -14.619 11.865 2.443 613 H SER 77 H SER 77 -15.251 13.650 5.259 614 HA SER 77 HA SER 77 -14.835 14.774 7.905 615 1HB SER 77 2HB SER 77 -17.206 15.963 6.696 616 2HB SER 77 1HB SER 77 -15.912 16.731 7.621 617 HG SER 77 HG SER 77 -14.807 17.109 5.803 618 H THR 78 H THR 78 -15.335 12.256 7.847 619 HA THR 78 HA THR 78 -17.943 11.979 8.919 620 HB THR 78 HB THR 78 -18.151 9.977 7.009 621 HG1 THR 78 1HG THR 78 -16.894 10.781 5.456 622 1HG2 THR 78 1HG2 THR 78 -20.041 11.134 7.870 623 2HG2 THR 78 2HG2 THR 78 -20.009 11.437 6.133 624 3HG2 THR 78 3HG2 THR 78 -19.454 12.683 7.254 625 HA PRO 79 HA PRO 79 -16.539 8.682 11.457 626 1HB PRO 79 2HB PRO 79 -18.493 7.262 9.668 627 2HB PRO 79 1HB PRO 79 -18.196 6.987 11.391 628 1HG PRO 79 2HG PRO 79 -20.210 8.524 10.633 629 2HG PRO 79 1HG PRO 79 -19.194 9.009 12.005 630 1HD PRO 79 2HD PRO 79 -19.371 10.175 9.311 631 2HD PRO 79 1HD PRO 79 -18.739 10.890 10.805 632 H GLY 80 H GLY 80 -14.945 7.168 11.388 633 1HA GLY 80 2HA GLY 80 -14.409 5.694 8.933 634 2HA GLY 80 1HA GLY 80 -13.151 6.805 9.453 635 H SER 81 H SER 81 -14.536 3.715 9.854 636 HA SER 81 HA SER 81 -12.366 2.865 11.520 637 1HB SER 81 2HB SER 81 -13.705 2.085 13.416 638 2HB SER 81 1HB SER 81 -13.867 3.831 13.228 639 HG SER 81 HG SER 81 -15.797 3.057 11.839 640 H ARG 82 H ARG 82 -13.074 0.470 12.373 641 HA ARG 82 HA ARG 82 -14.257 -0.900 10.045 642 1HB ARG 82 2HB ARG 82 -11.692 -1.397 11.478 643 2HB ARG 82 1HB ARG 82 -12.586 -2.791 10.886 644 1HG ARG 82 2HG ARG 82 -12.411 -2.084 8.647 645 2HG ARG 82 1HG ARG 82 -11.884 -0.467 9.121 646 1HD ARG 82 2HD ARG 82 -10.307 -2.955 9.731 647 2HD ARG 82 1HD ARG 82 -10.082 -2.015 8.257 648 HE ARG 82 HE ARG 82 -9.773 -0.129 10.100 649 1HH1 ARG 82 1HH1 ARG 82 -8.481 -3.363 9.953 650 2HH1 ARG 82 2HH1 ARG 82 -7.046 -2.967 10.838 651 1HH2 ARG 82 1HH2 ARG 82 -7.888 0.399 11.265 652 2HH2 ARG 82 2HH2 ARG 82 -6.710 -0.830 11.586 653 H SER 83 H SER 83 -14.547 -3.378 10.773 654 HA SER 83 HA SER 83 -15.452 -3.676 13.493 655 1HB SER 83 2HB SER 83 -17.297 -2.627 11.735 656 2HB SER 83 1HB SER 83 -17.654 -4.353 11.684 657 HG SER 83 HG SER 83 -17.570 -2.676 13.969 658 H HIS 84 H HIS 84 -15.289 -5.736 14.127 659 HA HIS 84 HA HIS 84 -15.724 -7.964 12.402 660 1HB HIS 84 2HB HIS 84 -13.401 -8.861 12.511 661 2HB HIS 84 1HB HIS 84 -13.535 -7.399 11.541 662 HD2 HIS 84 2HD HIS 84 -11.662 -8.748 14.587 663 HE1 HIS 84 1HE HIS 84 -10.779 -4.624 14.239 664 HE2 HIS 84 2HE HIS 84 -10.064 -6.824 15.276 665 H HIS 85 H HIS 85 -16.460 -6.870 15.036 666 HA HIS 85 HA HIS 85 -17.006 -7.639 17.101 667 1HB HIS 85 2HB HIS 85 -16.171 -10.237 15.822 668 2HB HIS 85 1HB HIS 85 -16.737 -10.155 17.486 669 HD2 HIS 85 2HD HIS 85 -19.360 -10.583 17.690 670 HE1 HIS 85 1HE HIS 85 -20.437 -9.337 13.792 671 HE2 HIS 85 2HE HIS 85 -21.250 -10.455 15.917 672 H HIS 86 H HIS 86 -16.096 -8.359 19.151 673 HA HIS 86 HA HIS 86 -13.240 -7.775 19.260 674 1HB HIS 86 2HB HIS 86 -15.300 -6.910 20.810 675 2HB HIS 86 1HB HIS 86 -14.704 -8.253 21.779 676 HD2 HIS 86 2HD HIS 86 -12.861 -7.447 23.522 677 HE1 HIS 86 1HE HIS 86 -11.337 -4.198 21.280 678 HE2 HIS 86 2HE HIS 86 -11.056 -5.591 23.379 679 H HIS 87 H HIS 87 -12.722 -9.884 18.301 680 HA HIS 87 HA HIS 87 -12.533 -11.946 20.387 681 1HB HIS 87 2HB HIS 87 -13.431 -12.301 17.532 682 2HB HIS 87 1HB HIS 87 -12.775 -13.639 18.470 683 HD2 HIS 87 2HD HIS 87 -14.312 -14.037 20.973 684 HE1 HIS 87 1HE HIS 87 -17.831 -12.696 19.044 685 HE2 HIS 87 2HE HIS 87 -16.882 -13.733 21.153 686 H HIS 88 H HIS 88 -10.398 -11.733 20.841 687 HA HIS 88 HA HIS 88 -8.445 -11.397 18.736 688 1HB HIS 88 2HB HIS 88 -8.520 -11.074 21.615 689 2HB HIS 88 1HB HIS 88 -7.089 -11.968 21.114 690 HD2 HIS 88 2HD HIS 88 -5.157 -10.519 19.813 691 HE1 HIS 88 1HE HIS 88 -7.223 -6.828 19.977 692 HE2 HIS 88 2HE HIS 88 -4.982 -7.942 19.568 693 H HIS 89 H HIS 89 -10.126 -13.990 19.710 694 HA HIS 89 HA HIS 89 -8.033 -15.936 19.973 695 1HB HIS 89 2HB HIS 89 -10.661 -15.920 20.662 696 2HB HIS 89 1HB HIS 89 -10.722 -16.865 19.178 697 HD2 HIS 89 2HD HIS 89 -11.032 -19.344 20.222 698 HE1 HIS 89 1HE HIS 89 -7.652 -19.227 22.766 699 HE2 HIS 89 2HE HIS 89 -9.607 -20.630 21.966 Start of MODEL 17 1 1H MET 1 1HT MET 1 -11.321 -32.147 -18.217 2 2H MET 1 2HT MET 1 -11.635 -32.585 -16.613 3 3H MET 1 3HT MET 1 -10.364 -31.527 -16.967 4 HA MET 1 HA MET 1 -12.117 -30.002 -17.951 5 1HB MET 1 2HB MET 1 -13.692 -32.194 -17.451 6 2HB MET 1 1HB MET 1 -14.063 -31.162 -16.077 7 1HG MET 1 2HG MET 1 -15.651 -30.673 -17.746 8 2HG MET 1 1HG MET 1 -14.525 -29.319 -17.712 9 1HE MET 1 1HE MET 1 -16.545 -31.391 -20.024 10 2HE MET 1 2HE MET 1 -15.457 -32.661 -19.465 11 3HE MET 1 3HE MET 1 -15.415 -32.143 -21.150 12 H ARG 2 H ARG 2 -10.002 -30.031 -16.117 13 HA ARG 2 HA ARG 2 -11.116 -28.961 -13.632 14 1HB ARG 2 2HB ARG 2 -9.112 -30.663 -13.876 15 2HB ARG 2 1HB ARG 2 -8.178 -29.193 -14.122 16 1HG ARG 2 2HG ARG 2 -8.392 -28.528 -11.970 17 2HG ARG 2 1HG ARG 2 -9.996 -29.240 -11.793 18 1HD ARG 2 2HD ARG 2 -7.911 -30.270 -10.566 19 2HD ARG 2 1HD ARG 2 -9.173 -31.302 -11.239 20 HE ARG 2 HE ARG 2 -6.548 -30.802 -12.480 21 1HH1 ARG 2 1HH1 ARG 2 -9.420 -32.734 -12.079 22 2HH1 ARG 2 2HH1 ARG 2 -8.823 -34.052 -13.031 23 1HH2 ARG 2 1HH2 ARG 2 -5.755 -32.532 -13.739 24 2HH2 ARG 2 2HH2 ARG 2 -6.741 -33.937 -13.975 25 H GLY 3 H GLY 3 -11.483 -26.853 -13.511 26 1HA GLY 3 2HA GLY 3 -9.882 -25.045 -15.199 27 2HA GLY 3 1HA GLY 3 -11.486 -24.691 -14.575 28 H SER 4 H SER 4 -10.819 -25.712 -11.899 29 HA SER 4 HA SER 4 -9.493 -23.305 -10.929 30 1HB SER 4 2HB SER 4 -10.304 -25.009 -8.789 31 2HB SER 4 1HB SER 4 -10.998 -23.463 -9.277 32 HG SER 4 HG SER 4 -12.310 -25.571 -9.314 33 H ASN 5 H ASN 5 -7.321 -23.636 -11.261 34 HA ASN 5 HA ASN 5 -6.050 -26.088 -10.414 35 1HB ASN 5 2HB ASN 5 -4.962 -23.506 -11.545 36 2HB ASN 5 1HB ASN 5 -3.943 -24.867 -11.091 37 1HD2 ASN 5 1HD2 ASN 5 -3.861 -26.654 -12.376 38 2HD2 ASN 5 2HD2 ASN 5 -4.613 -26.744 -13.928 39 H ALA 6 H ALA 6 -5.953 -22.671 -9.411 40 HA ALA 6 HA ALA 6 -5.187 -23.566 -6.725 41 1HB ALA 6 1HB ALA 6 -3.120 -22.786 -6.963 42 2HB ALA 6 2HB ALA 6 -3.806 -21.166 -7.098 43 3HB ALA 6 3HB ALA 6 -3.498 -22.118 -8.550 44 HA PRO 7 HA PRO 7 -8.552 -20.373 -6.629 45 1HB PRO 7 2HB PRO 7 -10.073 -22.195 -4.989 46 2HB PRO 7 1HB PRO 7 -10.453 -21.597 -6.604 47 1HG PRO 7 2HG PRO 7 -9.811 -24.203 -6.045 48 2HG PRO 7 1HG PRO 7 -9.575 -23.438 -7.627 49 1HD PRO 7 2HD PRO 7 -7.583 -23.964 -5.458 50 2HD PRO 7 1HD PRO 7 -7.397 -24.104 -7.219 51 H GLN 8 H GLN 8 -7.058 -22.389 -4.197 52 HA GLN 8 HA GLN 8 -7.947 -21.114 -1.877 53 1HB GLN 8 2HB GLN 8 -5.407 -22.598 -2.525 54 2HB GLN 8 1HB GLN 8 -5.722 -21.951 -0.921 55 1HG GLN 8 2HG GLN 8 -7.480 -23.411 -0.536 56 2HG GLN 8 1HG GLN 8 -7.706 -23.746 -2.253 57 1HE2 GLN 8 1HE2 GLN 8 -6.215 -24.710 0.632 58 2HE2 GLN 8 2HE2 GLN 8 -5.268 -26.008 -0.005 59 HA PRO 9 HA PRO 9 -5.886 -17.191 -2.245 60 1HB PRO 9 2HB PRO 9 -6.445 -16.212 0.200 61 2HB PRO 9 1HB PRO 9 -7.682 -16.373 -1.052 62 1HG PRO 9 2HG PRO 9 -7.103 -18.154 1.283 63 2HG PRO 9 1HG PRO 9 -8.669 -17.612 0.650 64 1HD PRO 9 2HD PRO 9 -7.591 -20.066 0.118 65 2HD PRO 9 1HD PRO 9 -8.706 -19.227 -0.977 66 H SER 10 H SER 10 -3.721 -17.907 -2.377 67 HA SER 10 HA SER 10 -2.287 -18.516 0.075 68 1HB SER 10 2HB SER 10 -0.454 -18.242 -2.048 69 2HB SER 10 1HB SER 10 -1.073 -19.742 -1.357 70 HG SER 10 HG SER 10 -2.027 -18.303 -3.594 71 H HIS 11 H HIS 11 -1.747 -16.235 -2.611 72 HA HIS 11 HA HIS 11 -0.834 -14.157 -2.696 73 1HB HIS 11 2HB HIS 11 -2.779 -14.145 -0.658 74 2HB HIS 11 1HB HIS 11 -1.409 -13.234 -0.031 75 HD2 HIS 11 2HD HIS 11 -0.521 -11.219 -2.066 76 HE1 HIS 11 1HE HIS 11 -4.555 -10.663 -3.215 77 HE2 HIS 11 2HE HIS 11 -2.184 -9.797 -3.458 78 H ILE 12 H ILE 12 0.348 -12.498 -0.884 79 HA ILE 12 HA ILE 12 2.884 -13.825 -0.454 80 HB ILE 12 HB ILE 12 2.887 -11.590 -1.414 81 1HG1 ILE 12 2HG1 ILE 12 4.188 -10.444 0.656 82 2HG1 ILE 12 1HG1 ILE 12 4.151 -12.111 1.220 83 1HG2 ILE 12 1HG2 ILE 12 1.015 -11.076 0.740 84 2HG2 ILE 12 2HG2 ILE 12 1.278 -10.192 -0.764 85 3HG2 ILE 12 3HG2 ILE 12 2.280 -9.850 0.648 86 1HD1 ILE 12 1HD1 ILE 12 6.162 -11.283 -0.161 87 2HD1 ILE 12 2HD1 ILE 12 5.084 -11.485 -1.543 88 3HD1 ILE 12 3HD1 ILE 12 5.468 -12.866 -0.514 89 H SER 13 H SER 13 4.021 -13.827 1.554 90 HA SER 13 HA SER 13 2.541 -14.627 3.782 91 1HB SER 13 2HB SER 13 5.145 -14.790 3.167 92 2HB SER 13 1HB SER 13 5.216 -13.390 4.237 93 HG SER 13 HG SER 13 5.292 -15.778 5.046 94 H LYS 14 H LYS 14 4.017 -11.506 2.980 95 HA LYS 14 HA LYS 14 1.993 -10.077 4.407 96 1HB LYS 14 2HB LYS 14 3.402 -9.000 6.065 97 2HB LYS 14 1HB LYS 14 3.442 -10.742 6.292 98 1HG LYS 14 2HG LYS 14 5.583 -10.491 4.729 99 2HG LYS 14 1HG LYS 14 5.584 -8.884 5.460 100 1HD LYS 14 2HD LYS 14 5.091 -10.730 7.537 101 2HD LYS 14 1HD LYS 14 6.429 -11.375 6.584 102 1HE LYS 14 2HE LYS 14 6.970 -8.655 6.830 103 2HE LYS 14 1HE LYS 14 6.373 -9.139 8.417 104 1HZ LYS 14 1HZ LYS 14 8.138 -11.111 7.571 105 2HZ LYS 14 2HZ LYS 14 8.359 -9.995 8.821 106 3HZ LYS 14 3HZ LYS 14 8.893 -9.630 7.258 107 H TYR 15 H TYR 15 1.896 -7.928 3.813 108 HA TYR 15 HA TYR 15 3.740 -7.127 1.670 109 1HB TYR 15 2HB TYR 15 0.904 -6.996 1.950 110 2HB TYR 15 1HB TYR 15 1.516 -5.348 1.886 111 HD1 TYR 15 1HD TYR 15 0.413 -8.058 -0.028 112 HD2 TYR 15 2HD TYR 15 3.281 -4.917 -0.047 113 HE1 TYR 15 1HE TYR 15 0.571 -8.228 -2.475 114 HE2 TYR 15 2HE TYR 15 3.448 -5.075 -2.497 115 HH TYR 15 HH TYR 15 1.611 -7.518 -4.307 116 H ILE 16 H ILE 16 4.437 -4.886 1.582 117 HA ILE 16 HA ILE 16 4.494 -3.618 4.239 118 HB ILE 16 HB ILE 16 6.729 -4.460 2.726 119 1HG1 ILE 16 2HG1 ILE 16 6.524 -4.357 5.186 120 2HG1 ILE 16 1HG1 ILE 16 7.981 -3.548 4.619 121 1HG2 ILE 16 1HG2 ILE 16 7.930 -2.176 2.651 122 2HG2 ILE 16 2HG2 ILE 16 6.312 -1.466 2.646 123 3HG2 ILE 16 3HG2 ILE 16 6.806 -2.552 1.347 124 1HD1 ILE 16 1HD1 ILE 16 6.683 -1.385 4.771 125 2HD1 ILE 16 2HD1 ILE 16 7.073 -2.176 6.300 126 3HD1 ILE 16 3HD1 ILE 16 5.445 -2.302 5.632 127 H LEU 17 H LEU 17 4.433 -1.417 4.349 128 HA LEU 17 HA LEU 17 3.959 0.009 1.849 129 1HB LEU 17 2HB LEU 17 1.942 -0.583 3.680 130 2HB LEU 17 1HB LEU 17 2.375 1.082 4.025 131 HG LEU 17 HG LEU 17 2.128 0.701 1.180 132 1HD1 LEU 17 1HD1 LEU 17 -0.138 -0.261 2.898 133 2HD1 LEU 17 2HD1 LEU 17 0.590 -1.038 1.493 134 3HD1 LEU 17 3HD1 LEU 17 -0.405 0.403 1.286 135 1HD2 LEU 17 1HD2 LEU 17 1.832 2.721 2.944 136 2HD2 LEU 17 2HD2 LEU 17 0.144 2.297 2.663 137 3HD2 LEU 17 3HD2 LEU 17 1.179 2.740 1.306 138 H ARG 18 H ARG 18 5.602 1.316 1.750 139 HA ARG 18 HA ARG 18 6.398 2.788 4.166 140 1HB ARG 18 2HB ARG 18 8.130 2.027 1.796 141 2HB ARG 18 1HB ARG 18 8.656 2.959 3.192 142 1HG ARG 18 2HG ARG 18 8.895 1.136 4.486 143 2HG ARG 18 1HG ARG 18 7.488 0.327 3.793 144 1HD ARG 18 2HD ARG 18 8.694 -0.650 2.130 145 2HD ARG 18 1HD ARG 18 9.849 0.679 2.039 146 HE ARG 18 HE ARG 18 9.917 -1.133 4.342 147 1HH1 ARG 18 1HH1 ARG 18 11.401 0.140 1.458 148 2HH1 ARG 18 2HH1 ARG 18 12.955 -0.541 1.802 149 1HH2 ARG 18 1HH2 ARG 18 11.959 -2.037 4.799 150 2HH2 ARG 18 2HH2 ARG 18 13.271 -1.778 3.699 151 H TRP 19 H TRP 19 6.109 4.977 3.999 152 HA TRP 19 HA TRP 19 6.283 6.169 1.388 153 1HB TRP 19 2HB TRP 19 4.073 6.574 0.918 154 2HB TRP 19 1HB TRP 19 4.004 4.975 1.641 155 HD1 TRP 19 HD TRP 19 2.832 8.495 2.078 156 HE1 TRP 19 1HE TRP 19 1.197 8.623 4.072 157 HE3 TRP 19 3HE TRP 19 3.555 3.829 3.997 158 HZ2 TRP 19 2HZ TRP 19 0.331 6.946 6.175 159 HZ3 TRP 19 3HZ TRP 19 2.286 3.158 5.996 160 HH2 TRP 19 HH TRP 19 0.708 4.687 7.061 161 H ARG 20 H ARG 20 6.082 8.327 1.237 162 HA ARG 20 HA ARG 20 5.767 10.023 3.556 163 1HB ARG 20 2HB ARG 20 8.074 11.105 2.571 164 2HB ARG 20 1HB ARG 20 8.000 10.058 3.972 165 1HG ARG 20 2HG ARG 20 9.781 9.466 2.375 166 2HG ARG 20 1HG ARG 20 8.638 8.158 2.683 167 1HD ARG 20 2HD ARG 20 8.343 7.981 0.501 168 2HD ARG 20 1HD ARG 20 7.590 9.575 0.525 169 HE ARG 20 HE ARG 20 10.186 8.911 -0.491 170 1HH1 ARG 20 1HH1 ARG 20 8.251 11.459 0.890 171 2HH1 ARG 20 2HH1 ARG 20 9.196 12.729 0.189 172 1HH2 ARG 20 1HH2 ARG 20 11.433 10.577 -1.416 173 2HH2 ARG 20 2HH2 ARG 20 11.003 12.229 -1.120 174 HA PRO 21 HA PRO 21 4.123 12.818 0.574 175 1HB PRO 21 2HB PRO 21 6.032 14.918 1.321 176 2HB PRO 21 1HB PRO 21 4.274 14.953 1.319 177 1HG PRO 21 2HG PRO 21 5.629 14.807 3.607 178 2HG PRO 21 1HG PRO 21 4.107 13.932 3.366 179 1HD PRO 21 2HD PRO 21 6.909 12.900 3.338 180 2HD PRO 21 1HD PRO 21 5.431 12.138 3.964 181 H LYS 22 H LYS 22 4.548 12.228 -1.434 182 HA LYS 22 HA LYS 22 6.674 11.623 -2.865 183 1HB LYS 22 2HB LYS 22 4.500 11.674 -3.831 184 2HB LYS 22 1HB LYS 22 4.429 13.427 -3.729 185 1HG LYS 22 2HG LYS 22 4.894 12.414 -6.000 186 2HG LYS 22 1HG LYS 22 5.974 13.703 -5.473 187 1HD LYS 22 2HD LYS 22 7.418 11.700 -4.584 188 2HD LYS 22 1HD LYS 22 6.489 10.771 -5.761 189 1HE LYS 22 2HE LYS 22 7.424 11.840 -7.551 190 2HE LYS 22 1HE LYS 22 7.701 13.332 -6.654 191 1HZ LYS 22 1HZ LYS 22 9.246 10.830 -6.237 192 2HZ LYS 22 2HZ LYS 22 9.566 12.348 -5.562 193 3HZ LYS 22 3HZ LYS 22 9.755 12.107 -7.225 194 H ASN 23 H ASN 23 5.717 15.025 -2.328 195 HA ASN 23 HA ASN 23 8.222 15.916 -3.543 196 1HB ASN 23 2HB ASN 23 5.593 16.959 -3.455 197 2HB ASN 23 1HB ASN 23 6.619 18.089 -2.576 198 1HD2 ASN 23 1HD2 ASN 23 7.061 19.705 -3.887 199 2HD2 ASN 23 2HD2 ASN 23 7.602 19.568 -5.522 200 H SER 24 H SER 24 6.453 16.204 -0.474 201 HA SER 24 HA SER 24 8.593 17.677 0.768 202 1HB SER 24 2HB SER 24 5.861 17.109 1.367 203 2HB SER 24 1HB SER 24 6.844 16.575 2.731 204 HG SER 24 HG SER 24 6.115 19.022 2.182 205 H VAL 25 H VAL 25 10.341 16.227 0.413 206 HA VAL 25 HA VAL 25 10.382 13.575 1.408 207 HB VAL 25 HB VAL 25 11.931 14.405 -0.334 208 1HG1 VAL 25 1HG1 VAL 25 12.754 16.459 0.119 209 2HG1 VAL 25 2HG1 VAL 25 14.051 15.531 0.874 210 3HG1 VAL 25 3HG1 VAL 25 12.750 16.194 1.863 211 1HG2 VAL 25 1HG2 VAL 25 12.538 12.720 1.878 212 2HG2 VAL 25 2HG2 VAL 25 14.005 13.575 1.402 213 3HG2 VAL 25 3HG2 VAL 25 13.120 12.615 0.216 214 H GLY 26 H GLY 26 11.268 12.726 3.286 215 1HA GLY 26 2HA GLY 26 12.585 14.264 5.267 216 2HA GLY 26 1HA GLY 26 10.878 14.122 5.661 217 H ARG 27 H ARG 27 10.010 12.081 6.164 218 HA ARG 27 HA ARG 27 11.960 9.919 6.550 219 1HB ARG 27 2HB ARG 27 10.227 11.226 8.602 220 2HB ARG 27 1HB ARG 27 10.539 9.501 8.738 221 1HG ARG 27 2HG ARG 27 12.523 9.888 9.631 222 2HG ARG 27 1HG ARG 27 12.998 10.870 8.243 223 1HD ARG 27 2HD ARG 27 11.282 11.937 10.470 224 2HD ARG 27 1HD ARG 27 13.043 12.000 10.521 225 HE ARG 27 HE ARG 27 12.290 13.108 8.102 226 1HH1 ARG 27 1HH1 ARG 27 11.805 13.770 11.489 227 2HH1 ARG 27 2HH1 ARG 27 11.655 15.481 11.265 228 1HH2 ARG 27 1HH2 ARG 27 12.096 15.361 7.799 229 2HH2 ARG 27 2HH2 ARG 27 11.822 16.385 9.169 230 H TRP 28 H TRP 28 11.272 8.058 5.730 231 HA TRP 28 HA TRP 28 8.749 7.770 4.505 232 1HB TRP 28 2HB TRP 28 10.922 5.803 5.214 233 2HB TRP 28 1HB TRP 28 9.429 5.292 4.434 234 HD1 TRP 28 HD TRP 28 12.552 7.438 3.771 235 HE1 TRP 28 1HE TRP 28 12.843 7.673 1.227 236 HE3 TRP 28 3HE TRP 28 8.225 5.185 2.240 237 HZ2 TRP 28 2HZ TRP 28 11.433 6.990 -1.121 238 HZ3 TRP 28 3HZ TRP 28 7.767 5.026 -0.174 239 HH2 TRP 28 HH TRP 28 9.341 5.906 -1.816 240 H LYS 29 H LYS 29 7.338 5.790 4.997 241 HA LYS 29 HA LYS 29 6.890 5.605 7.912 242 1HB LYS 29 2HB LYS 29 4.981 6.114 5.678 243 2HB LYS 29 1HB LYS 29 4.427 5.103 7.005 244 1HG LYS 29 2HG LYS 29 5.443 7.122 8.421 245 2HG LYS 29 1HG LYS 29 5.029 7.993 6.944 246 1HD LYS 29 2HD LYS 29 2.816 7.807 7.306 247 2HD LYS 29 1HD LYS 29 2.955 6.155 7.906 248 1HE LYS 29 2HE LYS 29 3.834 7.065 10.042 249 2HE LYS 29 1HE LYS 29 3.524 8.691 9.432 250 1HZ LYS 29 1HZ LYS 29 1.246 6.960 9.225 251 2HZ LYS 29 2HZ LYS 29 1.365 8.511 9.888 252 3HZ LYS 29 3HZ LYS 29 1.767 7.159 10.821 253 H GLU 30 H GLU 30 5.736 3.535 8.543 254 HA GLU 30 HA GLU 30 6.300 1.368 6.635 255 1HB GLU 30 2HB GLU 30 6.984 1.212 9.570 256 2HB GLU 30 1HB GLU 30 7.327 0.009 8.335 257 1HG GLU 30 2HG GLU 30 8.594 2.127 7.277 258 2HG GLU 30 1HG GLU 30 8.736 2.507 8.993 259 H ALA 31 H ALA 31 4.637 0.084 6.334 260 HA ALA 31 HA ALA 31 2.815 -0.525 8.536 261 1HB ALA 31 1HB ALA 31 1.100 -0.245 6.370 262 2HB ALA 31 2HB ALA 31 2.151 1.168 6.283 263 3HB ALA 31 3HB ALA 31 1.236 0.839 7.754 264 H THR 32 H THR 32 2.933 -2.695 8.657 265 HA THR 32 HA THR 32 3.261 -4.229 6.181 266 HB THR 32 HB THR 32 3.312 -5.568 8.844 267 HG1 THR 32 1HG THR 32 5.261 -4.753 9.358 268 1HG2 THR 32 1HG2 THR 32 3.666 -6.545 6.413 269 2HG2 THR 32 2HG2 THR 32 4.622 -7.129 7.777 270 3HG2 THR 32 3HG2 THR 32 5.307 -5.949 6.660 271 H ILE 33 H ILE 33 1.547 -5.074 5.257 272 HA ILE 33 HA ILE 33 -0.656 -6.064 6.933 273 HB ILE 33 HB ILE 33 -1.453 -5.001 4.304 274 1HG1 ILE 33 2HG1 ILE 33 -1.524 -2.772 6.079 275 2HG1 ILE 33 1HG1 ILE 33 0.135 -3.359 6.015 276 1HG2 ILE 33 1HG2 ILE 33 -2.586 -5.559 6.895 277 2HG2 ILE 33 2HG2 ILE 33 -3.383 -5.368 5.333 278 3HG2 ILE 33 3HG2 ILE 33 -3.043 -3.951 6.329 279 1HD1 ILE 33 1HD1 ILE 33 -0.503 -1.577 4.353 280 2HD1 ILE 33 2HD1 ILE 33 -1.475 -2.807 3.547 281 3HD1 ILE 33 3HD1 ILE 33 0.269 -3.019 3.695 282 HA PRO 34 HA PRO 34 0.548 -9.790 4.685 283 1HB PRO 34 2HB PRO 34 -2.162 -10.527 5.707 284 2HB PRO 34 1HB PRO 34 -0.659 -11.457 5.727 285 1HG PRO 34 2HG PRO 34 -1.522 -10.246 7.933 286 2HG PRO 34 1HG PRO 34 0.204 -10.279 7.530 287 1HD PRO 34 2HD PRO 34 -1.742 -8.035 7.346 288 2HD PRO 34 1HD PRO 34 -0.001 -7.998 7.691 289 H GLY 35 H GLY 35 -0.263 -11.023 2.905 290 1HA GLY 35 2HA GLY 35 -1.335 -9.536 0.836 291 2HA GLY 35 1HA GLY 35 -1.280 -11.289 0.873 292 H HIS 36 H HIS 36 -3.233 -8.538 0.939 293 HA HIS 36 HA HIS 36 -5.464 -8.149 1.232 294 1HB HIS 36 2HB HIS 36 -5.056 -9.880 -0.806 295 2HB HIS 36 1HB HIS 36 -6.167 -10.820 0.184 296 HD2 HIS 36 2HD HIS 36 -7.969 -8.116 1.096 297 HE1 HIS 36 1HE HIS 36 -8.758 -8.043 -3.060 298 HE2 HIS 36 2HE HIS 36 -9.600 -7.354 -0.770 299 H LEU 37 H LEU 37 -4.347 -9.196 3.610 300 HA LEU 37 HA LEU 37 -6.004 -11.291 4.623 301 1HB LEU 37 2HB LEU 37 -4.915 -10.996 6.695 302 2HB LEU 37 1HB LEU 37 -3.702 -10.739 5.462 303 HG LEU 37 HG LEU 37 -3.220 -9.087 7.009 304 1HD1 LEU 37 1HD1 LEU 37 -4.278 -6.911 6.059 305 2HD1 LEU 37 2HD1 LEU 37 -4.917 -7.990 4.820 306 3HD1 LEU 37 3HD1 LEU 37 -3.175 -7.868 5.070 307 1HD2 LEU 37 1HD2 LEU 37 -5.571 -7.647 7.534 308 2HD2 LEU 37 2HD2 LEU 37 -4.645 -8.658 8.643 309 3HD2 LEU 37 3HD2 LEU 37 -5.976 -9.354 7.720 310 H ASN 38 H ASN 38 -6.437 -7.970 4.132 311 HA ASN 38 HA ASN 38 -9.108 -7.995 5.036 312 1HB ASN 38 2HB ASN 38 -9.078 -6.855 7.039 313 2HB ASN 38 1HB ASN 38 -7.600 -7.797 7.198 314 1HD2 ASN 38 1HD2 ASN 38 -8.969 -4.715 7.169 315 2HD2 ASN 38 2HD2 ASN 38 -7.507 -3.795 7.226 316 H SER 39 H SER 39 -10.049 -5.702 4.995 317 HA SER 39 HA SER 39 -9.056 -4.417 2.603 318 1HB SER 39 2HB SER 39 -11.496 -3.970 4.324 319 2HB SER 39 1HB SER 39 -11.100 -2.939 2.950 320 HG SER 39 HG SER 39 -12.091 -4.396 1.818 321 H TYR 40 H TYR 40 -7.356 -3.113 2.849 322 HA TYR 40 HA TYR 40 -7.424 -1.148 5.043 323 1HB TYR 40 2HB TYR 40 -5.581 -2.692 5.354 324 2HB TYR 40 1HB TYR 40 -5.035 -2.433 3.701 325 HD1 TYR 40 1HD TYR 40 -5.356 -0.869 7.030 326 HD2 TYR 40 2HD TYR 40 -3.660 -0.567 3.141 327 HE1 TYR 40 1HE TYR 40 -3.904 0.954 7.813 328 HE2 TYR 40 2HE TYR 40 -2.202 1.258 3.913 329 HH TYR 40 HH TYR 40 -2.607 2.744 7.021 330 H THR 41 H THR 41 -7.749 0.866 4.403 331 HA THR 41 HA THR 41 -6.935 1.639 1.676 332 HB THR 41 HB THR 41 -9.161 2.879 3.301 333 HG1 THR 41 1HG THR 41 -9.141 0.773 1.419 334 1HG2 THR 41 1HG2 THR 41 -9.521 3.284 0.548 335 2HG2 THR 41 2HG2 THR 41 -7.818 3.620 0.866 336 3HG2 THR 41 3HG2 THR 41 -9.069 4.486 1.758 337 H ILE 42 H ILE 42 -5.954 3.642 1.362 338 HA ILE 42 HA ILE 42 -4.690 4.748 3.754 339 HB ILE 42 HB ILE 42 -4.087 5.360 0.859 340 1HG1 ILE 42 2HG1 ILE 42 -2.008 3.903 2.168 341 2HG1 ILE 42 1HG1 ILE 42 -3.519 3.025 2.390 342 1HG2 ILE 42 1HG2 ILE 42 -3.309 6.630 3.258 343 2HG2 ILE 42 2HG2 ILE 42 -2.736 6.944 1.620 344 3HG2 ILE 42 3HG2 ILE 42 -1.899 5.772 2.638 345 1HD1 ILE 42 1HD1 ILE 42 -1.864 3.277 0.049 346 2HD1 ILE 42 2HD1 ILE 42 -3.523 3.769 -0.285 347 3HD1 ILE 42 3HD1 ILE 42 -3.195 2.167 0.375 348 H LYS 43 H LYS 43 -5.530 6.464 4.695 349 HA LYS 43 HA LYS 43 -6.719 8.571 3.032 350 1HB LYS 43 2HB LYS 43 -7.914 7.998 5.713 351 2HB LYS 43 1HB LYS 43 -8.645 8.752 4.304 352 1HG LYS 43 2HG LYS 43 -8.020 6.111 3.565 353 2HG LYS 43 1HG LYS 43 -8.768 6.034 5.162 354 1HD LYS 43 2HD LYS 43 -9.997 7.746 3.045 355 2HD LYS 43 1HD LYS 43 -10.247 5.999 3.001 356 1HE LYS 43 2HE LYS 43 -10.745 7.605 5.488 357 2HE LYS 43 1HE LYS 43 -11.977 7.428 4.239 358 1HZ LYS 43 1HZ LYS 43 -10.729 4.961 5.111 359 2HZ LYS 43 2HZ LYS 43 -12.356 5.301 4.794 360 3HZ LYS 43 3HZ LYS 43 -11.674 5.740 6.279 361 H GLY 44 H GLY 44 -4.292 9.060 3.554 362 1HA GLY 44 2HA GLY 44 -4.220 10.626 6.059 363 2HA GLY 44 1HA GLY 44 -2.812 9.821 5.385 364 H LEU 45 H LEU 45 -3.956 10.745 2.646 365 HA LEU 45 HA LEU 45 -2.540 13.293 2.705 366 1HB LEU 45 2HB LEU 45 -3.482 12.681 0.074 367 2HB LEU 45 1HB LEU 45 -1.839 12.801 0.657 368 HG LEU 45 HG LEU 45 -2.109 10.705 -0.414 369 1HD1 LEU 45 1HD1 LEU 45 -0.648 10.421 1.365 370 2HD1 LEU 45 2HD1 LEU 45 -1.796 9.096 1.552 371 3HD1 LEU 45 3HD1 LEU 45 -1.934 10.532 2.566 372 1HD2 LEU 45 1HD2 LEU 45 -4.123 9.788 -0.534 373 2HD2 LEU 45 2HD2 LEU 45 -4.708 10.779 0.803 374 3HD2 LEU 45 3HD2 LEU 45 -3.913 9.239 1.129 375 H LYS 46 H LYS 46 -3.433 15.229 2.275 376 HA LYS 46 HA LYS 46 -6.359 15.271 2.083 377 1HB LYS 46 2HB LYS 46 -6.343 17.360 3.182 378 2HB LYS 46 1HB LYS 46 -5.143 16.401 4.032 379 1HG LYS 46 2HG LYS 46 -3.372 17.579 3.092 380 2HG LYS 46 1HG LYS 46 -4.378 18.258 1.813 381 1HD LYS 46 2HD LYS 46 -5.671 19.305 3.853 382 2HD LYS 46 1HD LYS 46 -4.127 19.056 4.671 383 1HE LYS 46 2HE LYS 46 -3.131 20.215 2.569 384 2HE LYS 46 1HE LYS 46 -4.775 20.808 2.336 385 1HZ LYS 46 1HZ LYS 46 -4.713 21.960 4.354 386 2HZ LYS 46 2HZ LYS 46 -3.207 22.268 3.649 387 3HZ LYS 46 3HZ LYS 46 -3.339 21.137 4.901 388 HA PRO 47 HA PRO 47 -6.528 16.993 -1.922 389 1HB PRO 47 2HB PRO 47 -7.977 19.370 -0.952 390 2HB PRO 47 1HB PRO 47 -8.454 18.154 -2.141 391 1HG PRO 47 2HG PRO 47 -9.536 18.238 0.319 392 2HG PRO 47 1HG PRO 47 -9.275 16.718 -0.556 393 1HD PRO 47 2HD PRO 47 -7.744 17.890 1.712 394 2HD PRO 47 1HD PRO 47 -8.072 16.189 1.325 395 H GLY 48 H GLY 48 -4.391 17.469 -2.289 396 1HA GLY 48 2HA GLY 48 -3.436 19.650 -3.278 397 2HA GLY 48 1HA GLY 48 -3.468 20.174 -1.601 398 H VAL 49 H VAL 49 -2.817 17.068 -1.192 399 HA VAL 49 HA VAL 49 0.088 17.438 -1.533 400 HB VAL 49 HB VAL 49 -0.567 15.513 0.512 401 1HG1 VAL 49 1HG1 VAL 49 1.095 16.729 1.754 402 2HG1 VAL 49 2HG1 VAL 49 0.985 18.090 0.638 403 3HG1 VAL 49 3HG1 VAL 49 1.635 16.545 0.083 404 1HG2 VAL 49 1HG2 VAL 49 -1.939 18.122 0.605 405 2HG2 VAL 49 2HG2 VAL 49 -1.127 17.609 2.085 406 3HG2 VAL 49 3HG2 VAL 49 -2.364 16.582 1.355 407 H VAL 50 H VAL 50 1.293 15.835 -2.328 408 HA VAL 50 HA VAL 50 -0.086 13.349 -3.108 409 HB VAL 50 HB VAL 50 0.566 14.474 -5.107 410 1HG1 VAL 50 1HG1 VAL 50 3.211 14.912 -3.744 411 2HG1 VAL 50 2HG1 VAL 50 2.072 16.123 -4.329 412 3HG1 VAL 50 3HG1 VAL 50 2.973 15.133 -5.476 413 1HG2 VAL 50 1HG2 VAL 50 1.778 12.012 -4.327 414 2HG2 VAL 50 2HG2 VAL 50 2.885 12.883 -5.388 415 3HG2 VAL 50 3HG2 VAL 50 1.244 12.526 -5.928 416 H TYR 51 H TYR 51 0.526 11.661 -1.894 417 HA TYR 51 HA TYR 51 3.175 11.746 -0.624 418 1HB TYR 51 2HB TYR 51 0.654 10.259 0.092 419 2HB TYR 51 1HB TYR 51 2.208 9.911 0.841 420 HD1 TYR 51 1HD TYR 51 -0.143 12.721 0.210 421 HD2 TYR 51 2HD TYR 51 2.831 11.071 2.759 422 HE1 TYR 51 1HE TYR 51 -0.573 14.494 1.843 423 HE2 TYR 51 2HE TYR 51 2.414 12.851 4.406 424 HH TYR 51 HH TYR 51 -0.151 15.245 3.911 425 H GLU 52 H GLU 52 4.723 10.425 -1.308 426 HA GLU 52 HA GLU 52 4.138 8.464 -3.325 427 1HB GLU 52 2HB GLU 52 6.168 9.694 -3.603 428 2HB GLU 52 1HB GLU 52 6.683 9.332 -1.962 429 1HG GLU 52 2HG GLU 52 7.385 7.234 -2.491 430 2HG GLU 52 1HG GLU 52 6.231 7.060 -3.812 431 H GLY 53 H GLY 53 3.731 6.386 -2.991 432 1HA GLY 53 2HA GLY 53 4.269 5.288 -0.305 433 2HA GLY 53 1HA GLY 53 2.928 4.793 -1.324 434 H GLN 54 H GLN 54 4.856 3.042 -0.110 435 HA GLN 54 HA GLN 54 5.987 1.918 -2.584 436 1HB GLN 54 2HB GLN 54 7.754 3.035 -1.207 437 2HB GLN 54 1HB GLN 54 7.400 1.894 0.084 438 1HG GLN 54 2HG GLN 54 8.000 0.045 -1.411 439 2HG GLN 54 1HG GLN 54 8.409 1.215 -2.666 440 1HE2 GLN 54 1HE2 GLN 54 10.526 0.302 -2.661 441 2HE2 GLN 54 2HE2 GLN 54 11.672 0.757 -1.451 442 H LEU 55 H LEU 55 5.025 0.051 -2.952 443 HA LEU 55 HA LEU 55 4.099 -1.558 -0.681 444 1HB LEU 55 2HB LEU 55 3.053 -0.982 -3.289 445 2HB LEU 55 1HB LEU 55 3.307 -2.711 -3.145 446 HG LEU 55 HG LEU 55 1.997 -2.532 -0.938 447 1HD1 LEU 55 1HD1 LEU 55 1.410 -0.490 -0.300 448 2HD1 LEU 55 2HD1 LEU 55 0.304 -0.444 -1.672 449 3HD1 LEU 55 3HD1 LEU 55 1.935 0.204 -1.834 450 1HD2 LEU 55 1HD2 LEU 55 0.538 -2.003 -3.522 451 2HD2 LEU 55 2HD2 LEU 55 -0.101 -2.808 -2.090 452 3HD2 LEU 55 3HD2 LEU 55 1.180 -3.570 -3.033 453 H ILE 56 H ILE 56 5.668 -2.878 0.001 454 HA ILE 56 HA ILE 56 7.188 -4.369 -2.030 455 HB ILE 56 HB ILE 56 8.048 -3.510 0.731 456 1HG1 ILE 56 2HG1 ILE 56 9.177 -2.903 -2.009 457 2HG1 ILE 56 1HG1 ILE 56 8.200 -1.804 -1.046 458 1HG2 ILE 56 1HG2 ILE 56 9.189 -5.445 0.741 459 2HG2 ILE 56 2HG2 ILE 56 10.266 -4.592 -0.364 460 3HG2 ILE 56 3HG2 ILE 56 9.026 -5.671 -1.001 461 1HD1 ILE 56 1HD1 ILE 56 9.933 -1.186 0.217 462 2HD1 ILE 56 2HD1 ILE 56 10.911 -1.857 -1.088 463 3HD1 ILE 56 3HD1 ILE 56 10.558 -2.830 0.340 464 H SER 57 H SER 57 6.759 -6.473 -2.134 465 HA SER 57 HA SER 57 5.233 -7.737 -0.033 466 1HB SER 57 2HB SER 57 6.364 -9.164 -2.432 467 2HB SER 57 1HB SER 57 4.916 -9.547 -1.499 468 HG SER 57 HG SER 57 4.516 -8.515 -3.558 469 H ILE 58 H ILE 58 5.937 -9.161 1.396 470 HA ILE 58 HA ILE 58 8.805 -9.793 1.435 471 HB ILE 58 HB ILE 58 6.948 -9.038 3.657 472 1HG1 ILE 58 2HG1 ILE 58 9.672 -8.167 3.896 473 2HG1 ILE 58 1HG1 ILE 58 9.095 -7.839 2.264 474 1HG2 ILE 58 1HG2 ILE 58 9.220 -9.786 4.974 475 2HG2 ILE 58 2HG2 ILE 58 9.050 -11.070 3.778 476 3HG2 ILE 58 3HG2 ILE 58 7.733 -10.732 4.900 477 1HD1 ILE 58 1HD1 ILE 58 8.705 -6.270 4.495 478 2HD1 ILE 58 2HD1 ILE 58 7.157 -7.089 4.282 479 3HD1 ILE 58 3HD1 ILE 58 7.843 -6.143 2.962 480 H GLN 59 H GLN 59 9.427 -11.845 1.589 481 HA GLN 59 HA GLN 59 7.365 -13.914 1.738 482 1HB GLN 59 2HB GLN 59 9.644 -13.622 0.156 483 2HB GLN 59 1HB GLN 59 10.077 -14.870 1.316 484 1HG GLN 59 2HG GLN 59 7.428 -15.158 0.071 485 2HG GLN 59 1HG GLN 59 8.809 -15.339 -1.009 486 1HE2 GLN 59 1HE2 GLN 59 10.643 -16.660 0.206 487 2HE2 GLN 59 2HE2 GLN 59 10.095 -18.170 0.841 488 H GLN 60 H GLN 60 8.563 -16.059 2.735 489 HA GLN 60 HA GLN 60 8.539 -15.650 5.510 490 1HB GLN 60 2HB GLN 60 9.473 -17.981 5.625 491 2HB GLN 60 1HB GLN 60 8.010 -17.819 4.663 492 1HG GLN 60 2HG GLN 60 9.088 -18.916 3.067 493 2HG GLN 60 1HG GLN 60 10.033 -17.446 2.827 494 1HE2 GLN 60 1HE2 GLN 60 10.045 -20.691 3.884 495 2HE2 GLN 60 2HE2 GLN 60 11.712 -20.785 4.327 496 H TYR 61 H TYR 61 11.108 -15.492 3.174 497 HA TYR 61 HA TYR 61 13.095 -15.267 5.323 498 1HB TYR 61 2HB TYR 61 14.768 -15.817 3.772 499 2HB TYR 61 1HB TYR 61 13.421 -16.857 3.326 500 HD1 TYR 61 1HD TYR 61 15.731 -14.366 2.208 501 HD2 TYR 61 2HD TYR 61 11.944 -16.118 1.376 502 HE1 TYR 61 1HE TYR 61 15.846 -13.507 -0.093 503 HE2 TYR 61 2HE TYR 61 12.050 -15.263 -0.928 504 HH TYR 61 HH TYR 61 14.854 -14.110 -2.333 505 H GLY 62 H GLY 62 11.131 -13.357 3.468 506 1HA GLY 62 2HA GLY 62 11.096 -10.994 3.703 507 2HA GLY 62 1HA GLY 62 12.829 -11.023 3.984 508 H HIS 63 H HIS 63 11.305 -9.357 2.155 509 HA HIS 63 HA HIS 63 11.542 -8.452 0.086 510 1HB HIS 63 2HB HIS 63 14.016 -9.265 0.643 511 2HB HIS 63 1HB HIS 63 13.697 -10.354 -0.701 512 HD2 HIS 63 2HD HIS 63 12.975 -6.477 -0.352 513 HE1 HIS 63 1HE HIS 63 15.101 -7.276 -3.924 514 HE2 HIS 63 2HE HIS 63 14.155 -5.461 -2.428 515 H GLN 64 H GLN 64 10.310 -8.722 -1.658 516 HA GLN 64 HA GLN 64 10.172 -11.246 -3.044 517 1HB GLN 64 2HB GLN 64 8.068 -10.393 -1.180 518 2HB GLN 64 1HB GLN 64 7.492 -10.866 -2.771 519 1HG GLN 64 2HG GLN 64 8.959 -12.494 -0.743 520 2HG GLN 64 1HG GLN 64 7.397 -12.809 -1.496 521 1HE2 GLN 64 1HE2 GLN 64 10.429 -13.888 -1.387 522 2HE2 GLN 64 2HE2 GLN 64 10.600 -14.534 -2.980 523 H GLU 65 H GLU 65 8.524 -8.133 -2.613 524 HA GLU 65 HA GLU 65 8.821 -7.600 -5.474 525 1HB GLU 65 2HB GLU 65 6.492 -8.622 -4.618 526 2HB GLU 65 1HB GLU 65 6.189 -6.925 -4.271 527 1HG GLU 65 2HG GLU 65 6.191 -6.327 -6.481 528 2HG GLU 65 1HG GLU 65 7.236 -7.666 -6.956 529 H VAL 66 H VAL 66 8.939 -5.405 -5.996 530 HA VAL 66 HA VAL 66 8.666 -3.506 -3.771 531 HB VAL 66 HB VAL 66 11.017 -3.551 -5.669 532 1HG1 VAL 66 1HG1 VAL 66 10.241 -1.667 -3.447 533 2HG1 VAL 66 2HG1 VAL 66 10.463 -1.287 -5.155 534 3HG1 VAL 66 3HG1 VAL 66 11.853 -1.725 -4.162 535 1HG2 VAL 66 1HG2 VAL 66 11.335 -3.789 -2.728 536 2HG2 VAL 66 2HG2 VAL 66 12.307 -4.472 -4.031 537 3HG2 VAL 66 3HG2 VAL 66 10.762 -5.208 -3.604 538 H THR 67 H THR 67 7.405 -1.855 -4.300 539 HA THR 67 HA THR 67 7.394 -0.893 -7.071 540 HB THR 67 HB THR 67 5.017 -1.834 -5.498 541 HG1 THR 67 1HG THR 67 6.022 -3.121 -7.181 542 1HG2 THR 67 1HG2 THR 67 5.135 0.623 -7.024 543 2HG2 THR 67 2HG2 THR 67 3.816 -0.034 -6.057 544 3HG2 THR 67 3HG2 THR 67 4.000 -0.519 -7.742 545 H ARG 68 H ARG 68 7.814 1.213 -7.088 546 HA ARG 68 HA ARG 68 7.074 2.826 -4.734 547 1HB ARG 68 2HB ARG 68 9.156 3.694 -6.705 548 2HB ARG 68 1HB ARG 68 8.981 4.127 -5.010 549 1HG ARG 68 2HG ARG 68 9.918 2.129 -4.273 550 2HG ARG 68 1HG ARG 68 9.649 1.324 -5.822 551 1HD ARG 68 2HD ARG 68 11.331 3.696 -6.031 552 2HD ARG 68 1HD ARG 68 12.009 2.456 -4.976 553 HE ARG 68 HE ARG 68 11.249 2.004 -7.790 554 1HH1 ARG 68 1HH1 ARG 68 13.248 1.357 -5.011 555 2HH1 ARG 68 2HH1 ARG 68 14.275 0.241 -5.849 556 1HH2 ARG 68 1HH2 ARG 68 12.592 0.538 -8.902 557 2HH2 ARG 68 2HH2 ARG 68 13.902 -0.224 -8.062 558 H PHE 69 H PHE 69 5.437 4.179 -5.052 559 HA PHE 69 HA PHE 69 5.293 5.791 -7.438 560 1HB PHE 69 2HB PHE 69 3.274 5.029 -8.330 561 2HB PHE 69 1HB PHE 69 4.129 3.544 -7.931 562 HD1 PHE 69 1HD PHE 69 3.623 2.625 -5.497 563 HD2 PHE 69 2HD PHE 69 1.076 5.219 -7.711 564 HE1 PHE 69 1HE PHE 69 1.703 1.885 -4.148 565 HE2 PHE 69 2HE PHE 69 -0.848 4.484 -6.365 566 HZ PHE 69 HZ PHE 69 -0.535 2.816 -4.580 567 H ASP 70 H ASP 70 4.315 7.722 -7.100 568 HA ASP 70 HA ASP 70 3.359 8.236 -4.406 569 1HB ASP 70 2HB ASP 70 3.523 10.605 -5.025 570 2HB ASP 70 1HB ASP 70 5.032 9.762 -5.362 571 H PHE 71 H PHE 71 1.319 8.728 -3.895 572 HA PHE 71 HA PHE 71 -0.620 9.156 -6.047 573 1HB PHE 71 2HB PHE 71 -2.106 7.487 -5.232 574 2HB PHE 71 1HB PHE 71 -0.522 6.721 -5.396 575 HD1 PHE 71 1HD PHE 71 -2.787 8.333 -2.861 576 HD2 PHE 71 2HD PHE 71 0.426 5.604 -3.604 577 HE1 PHE 71 1HE PHE 71 -2.880 7.562 -0.525 578 HE2 PHE 71 2HE PHE 71 0.326 4.853 -1.266 579 HZ PHE 71 HZ PHE 71 -1.327 5.829 0.273 580 H THR 72 H THR 72 -2.706 9.850 -5.270 581 HA THR 72 HA THR 72 -2.861 10.871 -2.583 582 HB THR 72 HB THR 72 -2.272 12.972 -3.087 583 HG1 THR 72 1HG THR 72 -3.864 14.144 -4.439 584 1HG2 THR 72 1HG2 THR 72 -1.422 11.805 -5.352 585 2HG2 THR 72 2HG2 THR 72 -1.307 13.541 -5.062 586 3HG2 THR 72 3HG2 THR 72 -2.637 12.892 -6.023 587 H THR 73 H THR 73 -4.905 10.711 -1.854 588 HA THR 73 HA THR 73 -7.010 9.831 -3.679 589 HB THR 73 HB THR 73 -6.634 8.932 -1.265 590 HG1 THR 73 1HG THR 73 -9.284 9.765 -1.465 591 1HG2 THR 73 1HG2 THR 73 -6.850 10.328 0.470 592 2HG2 THR 73 2HG2 THR 73 -8.434 10.854 -0.097 593 3HG2 THR 73 3HG2 THR 73 -6.980 11.667 -0.674 594 H THR 74 H THR 74 -5.583 12.470 -3.269 595 HA THR 74 HA THR 74 -7.875 14.268 -2.989 596 HB THR 74 HB THR 74 -6.622 15.419 -1.545 597 HG1 THR 74 1HG THR 74 -4.346 15.971 -2.250 598 1HG2 THR 74 1HG2 THR 74 -5.746 12.937 -1.239 599 2HG2 THR 74 2HG2 THR 74 -4.986 14.276 -0.375 600 3HG2 THR 74 3HG2 THR 74 -4.234 13.624 -1.839 601 H SER 75 H SER 75 -7.175 16.510 -4.004 602 HA SER 75 HA SER 75 -7.024 17.696 -5.938 603 1HB SER 75 2HB SER 75 -4.570 16.901 -5.296 604 2HB SER 75 1HB SER 75 -4.711 16.032 -6.825 605 HG SER 75 HG SER 75 -5.501 18.695 -6.825 606 H THR 76 H THR 76 -6.136 17.068 -8.491 607 HA THR 76 HA THR 76 -7.551 14.718 -9.424 608 HB THR 76 HB THR 76 -8.755 16.346 -11.138 609 HG1 THR 76 1HG THR 76 -7.778 18.047 -9.345 610 1HG2 THR 76 1HG2 THR 76 -10.132 16.306 -8.520 611 2HG2 THR 76 2HG2 THR 76 -9.608 14.748 -9.157 612 3HG2 THR 76 3HG2 THR 76 -10.691 15.767 -10.103 613 H SER 77 H SER 77 -5.671 14.008 -10.382 614 HA SER 77 HA SER 77 -5.022 15.123 -12.931 615 1HB SER 77 2HB SER 77 -3.272 15.686 -10.594 616 2HB SER 77 1HB SER 77 -2.487 15.253 -12.113 617 HG SER 77 HG SER 77 -2.956 17.160 -12.850 618 H THR 78 H THR 78 -2.499 14.062 -13.302 619 HA THR 78 HA THR 78 -2.248 11.415 -12.335 620 HB THR 78 HB THR 78 -2.587 10.811 -15.057 621 HG1 THR 78 1HG THR 78 -4.860 11.358 -15.259 622 1HG2 THR 78 1HG2 THR 78 -4.098 9.192 -14.216 623 2HG2 THR 78 2HG2 THR 78 -4.478 10.184 -12.804 624 3HG2 THR 78 3HG2 THR 78 -2.881 9.442 -12.959 625 HA PRO 79 HA PRO 79 1.725 11.981 -14.177 626 1HB PRO 79 2HB PRO 79 2.757 9.568 -13.993 627 2HB PRO 79 1HB PRO 79 2.135 10.361 -12.540 628 1HG PRO 79 2HG PRO 79 0.816 8.285 -14.245 629 2HG PRO 79 1HG PRO 79 0.967 8.345 -12.478 630 1HD PRO 79 2HD PRO 79 -1.237 9.217 -13.890 631 2HD PRO 79 1HD PRO 79 -0.801 9.774 -12.262 632 H GLY 80 H GLY 80 -0.675 10.511 -15.949 633 1HA GLY 80 2HA GLY 80 1.150 10.020 -18.223 634 2HA GLY 80 1HA GLY 80 -0.338 9.124 -17.966 635 H SER 81 H SER 81 -2.298 10.748 -17.684 636 HA SER 81 HA SER 81 -3.736 12.172 -18.710 637 1HB SER 81 2HB SER 81 -1.528 13.690 -18.198 638 2HB SER 81 1HB SER 81 -1.682 13.890 -19.944 639 HG SER 81 HG SER 81 -3.106 15.338 -19.382 640 H ARG 82 H ARG 82 -1.246 12.876 -21.092 641 HA ARG 82 HA ARG 82 -2.875 11.458 -23.091 642 1HB ARG 82 2HB ARG 82 -1.861 13.007 -24.747 643 2HB ARG 82 1HB ARG 82 -2.811 13.830 -23.518 644 1HG ARG 82 2HG ARG 82 -1.031 14.924 -22.687 645 2HG ARG 82 1HG ARG 82 0.055 13.553 -22.921 646 1HD ARG 82 2HD ARG 82 -0.563 14.309 -25.494 647 2HD ARG 82 1HD ARG 82 -0.465 15.849 -24.641 648 HE ARG 82 HE ARG 82 1.707 13.877 -24.871 649 1HH1 ARG 82 1HH1 ARG 82 0.578 17.098 -24.166 650 2HH1 ARG 82 2HH1 ARG 82 2.170 17.772 -24.063 651 1HH2 ARG 82 1HH2 ARG 82 3.807 14.757 -24.737 652 2HH2 ARG 82 2HH2 ARG 82 4.005 16.442 -24.388 653 H SER 83 H SER 83 -1.715 10.522 -24.926 654 HA SER 83 HA SER 83 1.009 9.643 -24.234 655 1HB SER 83 2HB SER 83 -0.879 7.913 -23.875 656 2HB SER 83 1HB SER 83 -0.956 7.841 -25.634 657 HG SER 83 HG SER 83 1.569 7.639 -25.077 658 H HIS 84 H HIS 84 -1.200 9.117 -26.974 659 HA HIS 84 HA HIS 84 0.809 10.369 -28.728 660 1HB HIS 84 2HB HIS 84 -0.699 7.795 -29.056 661 2HB HIS 84 1HB HIS 84 -0.171 8.693 -30.477 662 HD2 HIS 84 2HD HIS 84 2.239 7.926 -31.321 663 HE1 HIS 84 1HE HIS 84 3.704 6.494 -27.618 664 HE2 HIS 84 2HE HIS 84 4.135 6.633 -30.113 665 H HIS 85 H HIS 85 -2.297 9.012 -29.670 666 HA HIS 85 HA HIS 85 -3.420 11.703 -29.964 667 1HB HIS 85 2HB HIS 85 -2.704 9.842 -32.136 668 2HB HIS 85 1HB HIS 85 -4.331 10.507 -32.244 669 HD2 HIS 85 2HD HIS 85 -3.487 11.988 -34.482 670 HE1 HIS 85 1HE HIS 85 -1.074 14.606 -32.194 671 HE2 HIS 85 2HE HIS 85 -2.000 14.114 -34.503 672 H HIS 86 H HIS 86 -3.821 8.277 -29.606 673 HA HIS 86 HA HIS 86 -6.605 8.718 -28.795 674 1HB HIS 86 2HB HIS 86 -6.995 6.345 -29.843 675 2HB HIS 86 1HB HIS 86 -7.053 7.779 -30.864 676 HD2 HIS 86 2HD HIS 86 -6.234 6.441 -33.125 677 HE1 HIS 86 1HE HIS 86 -2.424 5.394 -31.609 678 HE2 HIS 86 2HE HIS 86 -3.958 5.300 -33.625 679 H HIS 87 H HIS 87 -7.235 6.102 -28.138 680 HA HIS 87 HA HIS 87 -5.463 5.682 -25.841 681 1HB HIS 87 2HB HIS 87 -8.038 6.013 -25.672 682 2HB HIS 87 1HB HIS 87 -8.126 4.338 -26.205 683 HD2 HIS 87 2HD HIS 87 -5.155 4.701 -23.925 684 HE1 HIS 87 1HE HIS 87 -8.419 3.556 -21.487 685 HE2 HIS 87 2HE HIS 87 -5.893 3.693 -21.652 686 H HIS 88 H HIS 88 -3.867 4.294 -26.319 687 HA HIS 88 HA HIS 88 -4.561 1.589 -27.040 688 1HB HIS 88 2HB HIS 88 -4.130 3.148 -29.178 689 2HB HIS 88 1HB HIS 88 -2.461 2.727 -28.810 690 HD2 HIS 88 2HD HIS 88 -5.021 -0.069 -28.165 691 HE1 HIS 88 1HE HIS 88 -3.069 -0.872 -31.833 692 HE2 HIS 88 2HE HIS 88 -4.500 -1.846 -29.981 693 H HIS 89 H HIS 89 -1.966 3.947 -26.530 694 HA HIS 89 HA HIS 89 0.039 3.817 -25.464 695 1HB HIS 89 2HB HIS 89 -1.884 2.421 -23.841 696 2HB HIS 89 1HB HIS 89 -0.304 1.666 -23.670 697 HD2 HIS 89 2HD HIS 89 -2.174 4.127 -21.815 698 HE1 HIS 89 1HE HIS 89 1.771 5.659 -21.797 699 HE2 HIS 89 2HE HIS 89 -0.567 5.923 -20.854 Start of MODEL 18 1 1H MET 1 1HT MET 1 5.188 -22.727 2.781 2 2H MET 1 2HT MET 1 4.343 -23.763 3.818 3 3H MET 1 3HT MET 1 5.506 -24.389 2.761 4 HA MET 1 HA MET 1 6.094 -22.490 4.957 5 1HB MET 1 2HB MET 1 5.274 -25.024 5.328 6 2HB MET 1 1HB MET 1 6.983 -25.323 5.040 7 1HG MET 1 2HG MET 1 7.567 -23.815 6.857 8 2HG MET 1 1HG MET 1 5.859 -23.478 7.136 9 1HE MET 1 1HE MET 1 6.343 -25.311 10.268 10 2HE MET 1 2HE MET 1 4.792 -25.017 9.481 11 3HE MET 1 3HE MET 1 6.075 -23.812 9.381 12 H ARG 2 H ARG 2 7.122 -24.413 2.237 13 HA ARG 2 HA ARG 2 9.896 -23.518 2.602 14 1HB ARG 2 2HB ARG 2 10.365 -25.206 0.765 15 2HB ARG 2 1HB ARG 2 9.835 -25.868 2.305 16 1HG ARG 2 2HG ARG 2 7.493 -25.888 1.297 17 2HG ARG 2 1HG ARG 2 8.291 -25.619 -0.254 18 1HD ARG 2 2HD ARG 2 7.866 -27.998 0.148 19 2HD ARG 2 1HD ARG 2 9.592 -27.650 0.040 20 HE ARG 2 HE ARG 2 9.687 -27.840 2.461 21 1HH1 ARG 2 1HH1 ARG 2 6.831 -29.072 0.888 22 2HH1 ARG 2 2HH1 ARG 2 6.418 -30.137 2.190 23 1HH2 ARG 2 1HH2 ARG 2 9.149 -29.238 4.178 24 2HH2 ARG 2 2HH2 ARG 2 7.735 -30.231 4.059 25 H GLY 3 H GLY 3 7.224 -23.574 0.294 26 1HA GLY 3 2HA GLY 3 6.846 -21.553 -1.023 27 2HA GLY 3 1HA GLY 3 8.591 -21.418 -1.192 28 H SER 4 H SER 4 7.944 -21.227 -3.501 29 HA SER 4 HA SER 4 8.418 -23.703 -4.836 30 1HB SER 4 2HB SER 4 6.234 -23.390 -6.254 31 2HB SER 4 1HB SER 4 6.159 -24.240 -4.710 32 HG SER 4 HG SER 4 5.487 -21.528 -5.207 33 H ASN 5 H ASN 5 7.695 -23.163 -7.379 34 HA ASN 5 HA ASN 5 9.536 -21.099 -8.108 35 1HB ASN 5 2HB ASN 5 7.635 -22.511 -9.977 36 2HB ASN 5 1HB ASN 5 9.199 -21.795 -10.355 37 1HD2 ASN 5 1HD2 ASN 5 11.009 -22.758 -8.897 38 2HD2 ASN 5 2HD2 ASN 5 11.035 -24.484 -8.829 39 H ALA 6 H ALA 6 6.303 -21.485 -9.509 40 HA ALA 6 HA ALA 6 5.387 -18.928 -8.583 41 1HB ALA 6 1HB ALA 6 6.953 -18.266 -10.382 42 2HB ALA 6 2HB ALA 6 5.285 -17.794 -10.707 43 3HB ALA 6 3HB ALA 6 5.981 -19.191 -11.527 44 HA PRO 7 HA PRO 7 2.084 -21.846 -10.024 45 1HB PRO 7 2HB PRO 7 1.279 -22.596 -7.453 46 2HB PRO 7 1HB PRO 7 2.300 -23.539 -8.537 47 1HG PRO 7 2HG PRO 7 3.052 -22.346 -6.078 48 2HG PRO 7 1HG PRO 7 4.110 -23.148 -7.247 49 1HD PRO 7 2HD PRO 7 3.619 -20.257 -6.812 50 2HD PRO 7 1HD PRO 7 5.057 -21.078 -7.455 51 H GLN 8 H GLN 8 2.286 -18.931 -8.787 52 HA GLN 8 HA GLN 8 0.858 -17.232 -8.297 53 1HB GLN 8 2HB GLN 8 -0.291 -18.671 -10.355 54 2HB GLN 8 1HB GLN 8 -1.596 -18.551 -9.182 55 1HG GLN 8 2HG GLN 8 -0.675 -16.003 -9.198 56 2HG GLN 8 1HG GLN 8 -0.371 -16.490 -10.865 57 1HE2 GLN 8 1HE2 GLN 8 -2.872 -16.411 -8.374 58 2HE2 GLN 8 2HE2 GLN 8 -4.200 -16.211 -9.459 59 HA PRO 9 HA PRO 9 -0.649 -19.273 -4.456 60 1HB PRO 9 2HB PRO 9 0.372 -17.448 -2.743 61 2HB PRO 9 1HB PRO 9 1.333 -18.780 -3.394 62 1HG PRO 9 2HG PRO 9 1.252 -15.913 -4.235 63 2HG PRO 9 1HG PRO 9 2.646 -16.994 -4.071 64 1HD PRO 9 2HD PRO 9 1.468 -16.400 -6.464 65 2HD PRO 9 1HD PRO 9 2.327 -17.920 -6.145 66 H SER 10 H SER 10 -2.213 -18.568 -2.900 67 HA SER 10 HA SER 10 -4.156 -16.807 -3.953 68 1HB SER 10 2HB SER 10 -3.879 -18.538 -1.609 69 2HB SER 10 1HB SER 10 -4.818 -17.081 -1.286 70 HG SER 10 HG SER 10 -6.329 -18.350 -2.101 71 H HIS 11 H HIS 11 -1.880 -16.496 -1.245 72 HA HIS 11 HA HIS 11 -1.993 -13.598 -1.547 73 1HB HIS 11 2HB HIS 11 -2.022 -13.528 1.076 74 2HB HIS 11 1HB HIS 11 -3.529 -13.652 0.178 75 HD2 HIS 11 2HD HIS 11 -1.583 -15.479 2.879 76 HE1 HIS 11 1HE HIS 11 -4.706 -18.041 1.614 77 HE2 HIS 11 2HE HIS 11 -2.821 -17.723 3.281 78 H ILE 12 H ILE 12 -0.310 -12.530 -0.141 79 HA ILE 12 HA ILE 12 2.172 -14.065 -0.359 80 HB ILE 12 HB ILE 12 2.201 -11.927 -1.472 81 1HG1 ILE 12 2HG1 ILE 12 3.847 -10.818 0.525 82 2HG1 ILE 12 1HG1 ILE 12 3.967 -12.563 0.722 83 1HG2 ILE 12 1HG2 ILE 12 0.712 -11.088 0.834 84 2HG2 ILE 12 2HG2 ILE 12 0.918 -10.282 -0.721 85 3HG2 ILE 12 3HG2 ILE 12 2.089 -10.016 0.570 86 1HD1 ILE 12 1HD1 ILE 12 4.192 -11.536 -2.033 87 2HD1 ILE 12 2HD1 ILE 12 5.059 -12.845 -1.229 88 3HD1 ILE 12 3HD1 ILE 12 5.521 -11.169 -0.932 89 H SER 13 H SER 13 3.706 -14.135 1.352 90 HA SER 13 HA SER 13 2.765 -14.726 3.873 91 1HB SER 13 2HB SER 13 5.502 -13.588 3.240 92 2HB SER 13 1HB SER 13 5.071 -14.558 4.648 93 HG SER 13 HG SER 13 5.798 -15.372 2.195 94 H LYS 14 H LYS 14 4.162 -11.666 2.728 95 HA LYS 14 HA LYS 14 2.424 -10.110 4.339 96 1HB LYS 14 2HB LYS 14 4.062 -9.119 5.854 97 2HB LYS 14 1HB LYS 14 3.932 -10.851 6.122 98 1HG LYS 14 2HG LYS 14 5.968 -11.092 4.634 99 2HG LYS 14 1HG LYS 14 6.148 -9.342 4.776 100 1HD LYS 14 2HD LYS 14 5.761 -10.213 7.385 101 2HD LYS 14 1HD LYS 14 6.817 -11.432 6.667 102 1HE LYS 14 2HE LYS 14 8.546 -10.055 6.866 103 2HE LYS 14 1HE LYS 14 7.733 -8.877 5.837 104 1HZ LYS 14 1HZ LYS 14 6.616 -8.788 8.419 105 2HZ LYS 14 2HZ LYS 14 7.447 -7.572 7.586 106 3HZ LYS 14 3HZ LYS 14 8.300 -8.667 8.551 107 H TYR 15 H TYR 15 2.430 -7.972 3.770 108 HA TYR 15 HA TYR 15 4.170 -7.235 1.514 109 1HB TYR 15 2HB TYR 15 1.361 -7.041 1.916 110 2HB TYR 15 1HB TYR 15 1.994 -5.400 1.907 111 HD1 TYR 15 1HD TYR 15 1.057 -8.230 -0.076 112 HD2 TYR 15 2HD TYR 15 3.382 -4.664 -0.110 113 HE1 TYR 15 1HE TYR 15 1.088 -8.281 -2.532 114 HE2 TYR 15 2HE TYR 15 3.427 -4.714 -2.567 115 HH TYR 15 HH TYR 15 1.629 -5.910 -4.414 116 H ILE 16 H ILE 16 4.947 -4.997 1.446 117 HA ILE 16 HA ILE 16 5.228 -3.879 4.152 118 HB ILE 16 HB ILE 16 7.280 -4.590 2.366 119 1HG1 ILE 16 2HG1 ILE 16 7.363 -4.554 4.836 120 2HG1 ILE 16 1HG1 ILE 16 8.730 -3.702 4.125 121 1HG2 ILE 16 1HG2 ILE 16 6.549 -2.159 1.459 122 2HG2 ILE 16 2HG2 ILE 16 8.224 -2.712 1.469 123 3HG2 ILE 16 3HG2 ILE 16 7.634 -1.664 2.760 124 1HD1 ILE 16 1HD1 ILE 16 6.516 -2.687 5.778 125 2HD1 ILE 16 2HD1 ILE 16 7.016 -1.651 4.441 126 3HD1 ILE 16 3HD1 ILE 16 8.192 -2.148 5.659 127 H LEU 17 H LEU 17 5.110 -1.697 4.432 128 HA LEU 17 HA LEU 17 4.298 -0.113 2.116 129 1HB LEU 17 2HB LEU 17 2.545 -0.939 4.112 130 2HB LEU 17 1HB LEU 17 2.957 0.708 4.555 131 HG LEU 17 HG LEU 17 2.433 0.811 1.810 132 1HD1 LEU 17 1HD1 LEU 17 -0.012 -0.385 2.942 133 2HD1 LEU 17 2HD1 LEU 17 1.296 -1.503 2.553 134 3HD1 LEU 17 3HD1 LEU 17 0.636 -0.447 1.303 135 1HD2 LEU 17 1HD2 LEU 17 1.186 2.543 2.472 136 2HD2 LEU 17 2HD2 LEU 17 1.749 2.162 4.099 137 3HD2 LEU 17 3HD2 LEU 17 0.198 1.540 3.535 138 H ARG 18 H ARG 18 5.882 1.259 1.939 139 HA ARG 18 HA ARG 18 6.801 2.670 4.340 140 1HB ARG 18 2HB ARG 18 8.869 2.678 2.380 141 2HB ARG 18 1HB ARG 18 8.895 1.946 3.980 142 1HG ARG 18 2HG ARG 18 7.578 0.037 2.796 143 2HG ARG 18 1HG ARG 18 8.339 0.700 1.346 144 1HD ARG 18 2HD ARG 18 9.902 -0.001 3.817 145 2HD ARG 18 1HD ARG 18 9.557 -1.184 2.552 146 HE ARG 18 HE ARG 18 10.652 0.825 1.154 147 1HH1 ARG 18 1HH1 ARG 18 11.655 -0.782 4.077 148 2HH1 ARG 18 2HH1 ARG 18 13.343 -0.519 3.796 149 1HH2 ARG 18 1HH2 ARG 18 12.873 1.177 0.776 150 2HH2 ARG 18 2HH2 ARG 18 14.037 0.595 1.920 151 H TRP 19 H TRP 19 6.534 4.826 4.165 152 HA TRP 19 HA TRP 19 6.689 6.050 1.559 153 1HB TRP 19 2HB TRP 19 4.481 6.385 1.100 154 2HB TRP 19 1HB TRP 19 4.370 4.854 1.955 155 HD1 TRP 19 HD TRP 19 3.631 8.569 2.362 156 HE1 TRP 19 1HE TRP 19 1.963 8.871 4.313 157 HE3 TRP 19 3HE TRP 19 3.562 3.773 4.102 158 HZ2 TRP 19 2HZ TRP 19 0.781 7.260 6.324 159 HZ3 TRP 19 3HZ TRP 19 2.143 3.230 6.036 160 HH2 TRP 19 HH TRP 19 0.782 4.940 7.124 161 H ARG 20 H ARG 20 6.138 8.288 1.506 162 HA ARG 20 HA ARG 20 5.949 9.764 3.955 163 1HB ARG 20 2HB ARG 20 8.020 10.862 3.906 164 2HB ARG 20 1HB ARG 20 8.445 9.189 3.572 165 1HG ARG 20 2HG ARG 20 7.981 11.150 1.356 166 2HG ARG 20 1HG ARG 20 9.542 11.021 2.169 167 1HD ARG 20 2HD ARG 20 9.318 8.491 1.669 168 2HD ARG 20 1HD ARG 20 8.111 8.999 0.485 169 HE ARG 20 HE ARG 20 10.930 9.209 0.229 170 1HH1 ARG 20 1HH1 ARG 20 7.955 10.842 -0.560 171 2HH1 ARG 20 2HH1 ARG 20 8.607 11.632 -1.956 172 1HH2 ARG 20 1HH2 ARG 20 11.799 10.246 -1.609 173 2HH2 ARG 20 2HH2 ARG 20 10.791 11.293 -2.553 174 HA PRO 21 HA PRO 21 3.566 12.217 1.156 175 1HB PRO 21 2HB PRO 21 3.984 14.678 2.385 176 2HB PRO 21 1HB PRO 21 2.743 13.509 2.852 177 1HG PRO 21 2HG PRO 21 5.466 13.940 3.974 178 2HG PRO 21 1HG PRO 21 3.947 13.669 4.845 179 1HD PRO 21 2HD PRO 21 5.701 11.708 4.571 180 2HD PRO 21 1HD PRO 21 3.968 11.377 4.333 181 H LYS 22 H LYS 22 4.500 12.376 -0.753 182 HA LYS 22 HA LYS 22 7.021 13.149 -1.453 183 1HB LYS 22 2HB LYS 22 4.935 12.194 -2.771 184 2HB LYS 22 1HB LYS 22 4.776 13.878 -3.263 185 1HG LYS 22 2HG LYS 22 7.193 12.115 -3.664 186 2HG LYS 22 1HG LYS 22 6.032 12.596 -4.902 187 1HD LYS 22 2HD LYS 22 6.729 14.855 -4.812 188 2HD LYS 22 1HD LYS 22 7.633 14.591 -3.319 189 1HE LYS 22 2HE LYS 22 8.750 14.651 -5.779 190 2HE LYS 22 1HE LYS 22 9.433 13.784 -4.405 191 1HZ LYS 22 1HZ LYS 22 8.432 11.766 -5.164 192 2HZ LYS 22 2HZ LYS 22 9.286 12.442 -6.457 193 3HZ LYS 22 3HZ LYS 22 7.601 12.568 -6.400 194 H ASN 23 H ASN 23 4.137 15.256 -1.703 195 HA ASN 23 HA ASN 23 5.574 17.587 -2.335 196 1HB ASN 23 2HB ASN 23 3.090 17.182 -2.648 197 2HB ASN 23 1HB ASN 23 2.903 17.517 -0.929 198 1HD2 ASN 23 1HD2 ASN 23 2.045 19.450 -0.721 199 2HD2 ASN 23 2HD2 ASN 23 2.542 20.879 -1.557 200 H SER 24 H SER 24 4.385 16.359 0.772 201 HA SER 24 HA SER 24 5.830 18.520 2.137 202 1HB SER 24 2HB SER 24 3.342 17.130 2.647 203 2HB SER 24 1HB SER 24 4.411 17.033 4.046 204 HG SER 24 HG SER 24 4.576 19.499 3.225 205 H VAL 25 H VAL 25 7.774 17.195 1.402 206 HA VAL 25 HA VAL 25 8.498 14.721 2.303 207 HB VAL 25 HB VAL 25 9.922 16.032 0.832 208 1HG1 VAL 25 1HG1 VAL 25 10.165 18.194 1.340 209 2HG1 VAL 25 2HG1 VAL 25 11.459 17.664 2.414 210 3HG1 VAL 25 3HG1 VAL 25 9.835 17.921 3.051 211 1HG2 VAL 25 1HG2 VAL 25 11.721 14.863 1.447 212 2HG2 VAL 25 2HG2 VAL 25 10.782 14.357 2.853 213 3HG2 VAL 25 3HG2 VAL 25 11.870 15.741 2.970 214 H GLY 26 H GLY 26 9.202 13.803 4.163 215 1HA GLY 26 2HA GLY 26 9.891 15.424 6.466 216 2HA GLY 26 1HA GLY 26 8.385 14.533 6.621 217 H ARG 27 H ARG 27 8.463 12.203 6.500 218 HA ARG 27 HA ARG 27 11.047 10.915 6.642 219 1HB ARG 27 2HB ARG 27 10.658 9.921 8.860 220 2HB ARG 27 1HB ARG 27 10.809 11.671 8.938 221 1HG ARG 27 2HG ARG 27 8.469 11.942 9.246 222 2HG ARG 27 1HG ARG 27 8.163 10.243 8.877 223 1HD ARG 27 2HD ARG 27 8.598 9.609 10.972 224 2HD ARG 27 1HD ARG 27 10.066 10.582 11.044 225 HE ARG 27 HE ARG 27 8.183 12.452 11.314 226 1HH1 ARG 27 1HH1 ARG 27 8.572 9.354 12.859 227 2HH1 ARG 27 2HH1 ARG 27 7.795 9.843 14.328 228 1HH2 ARG 27 1HH2 ARG 27 7.161 13.107 13.246 229 2HH2 ARG 27 2HH2 ARG 27 6.993 11.977 14.547 230 H TRP 28 H TRP 28 10.955 8.672 6.398 231 HA TRP 28 HA TRP 28 8.764 7.697 4.896 232 1HB TRP 28 2HB TRP 28 11.208 6.395 6.078 233 2HB TRP 28 1HB TRP 28 9.992 5.456 5.223 234 HD1 TRP 28 HD TRP 28 12.939 7.723 4.657 235 HE1 TRP 28 1HE TRP 28 13.397 7.922 2.133 236 HE3 TRP 28 3HE TRP 28 8.684 5.511 2.883 237 HZ2 TRP 28 2HZ TRP 28 12.122 7.234 -0.291 238 HZ3 TRP 28 3HZ TRP 28 8.377 5.327 0.447 239 HH2 TRP 28 HH TRP 28 10.064 6.169 -1.104 240 H LYS 29 H LYS 29 7.768 5.510 5.430 241 HA LYS 29 HA LYS 29 7.156 5.196 8.281 242 1HB LYS 29 2HB LYS 29 5.388 6.490 6.650 243 2HB LYS 29 1HB LYS 29 4.849 4.825 6.476 244 1HG LYS 29 2HG LYS 29 3.753 4.997 8.388 245 2HG LYS 29 1HG LYS 29 5.279 5.272 9.229 246 1HD LYS 29 2HD LYS 29 5.095 7.639 8.934 247 2HD LYS 29 1HD LYS 29 3.709 7.450 7.858 248 1HE LYS 29 2HE LYS 29 2.260 7.065 9.570 249 2HE LYS 29 1HE LYS 29 3.483 6.292 10.576 250 1HZ LYS 29 1HZ LYS 29 3.266 9.211 10.065 251 2HZ LYS 29 2HZ LYS 29 4.422 8.464 11.047 252 3HZ LYS 29 3HZ LYS 29 2.789 8.422 11.485 253 H GLU 30 H GLU 30 6.004 3.031 8.649 254 HA GLU 30 HA GLU 30 6.587 1.078 6.538 255 1HB GLU 30 2HB GLU 30 7.517 -0.397 8.508 256 2HB GLU 30 1HB GLU 30 8.558 0.737 7.660 257 1HG GLU 30 2HG GLU 30 8.207 2.379 9.446 258 2HG GLU 30 1HG GLU 30 7.196 1.216 10.301 259 H ALA 31 H ALA 31 4.979 -0.321 6.291 260 HA ALA 31 HA ALA 31 3.336 -1.118 8.576 261 1HB ALA 31 1HB ALA 31 2.432 0.811 6.825 262 2HB ALA 31 2HB ALA 31 1.426 -0.191 7.870 263 3HB ALA 31 3HB ALA 31 1.711 -0.674 6.197 264 H THR 32 H THR 32 2.940 -3.278 8.556 265 HA THR 32 HA THR 32 3.592 -4.728 6.081 266 HB THR 32 HB THR 32 3.266 -6.167 8.676 267 HG1 THR 32 1HG THR 32 4.809 -5.001 9.533 268 1HG2 THR 32 1HG2 THR 32 5.190 -6.481 6.365 269 2HG2 THR 32 2HG2 THR 32 3.692 -7.387 6.574 270 3HG2 THR 32 3HG2 THR 32 5.011 -7.584 7.729 271 H ILE 33 H ILE 33 1.978 -5.496 4.922 272 HA ILE 33 HA ILE 33 -0.565 -6.152 6.269 273 HB ILE 33 HB ILE 33 -0.661 -5.717 3.361 274 1HG1 ILE 33 2HG1 ILE 33 0.974 -3.972 4.027 275 2HG1 ILE 33 1HG1 ILE 33 -0.541 -3.286 3.457 276 1HG2 ILE 33 1HG2 ILE 33 -2.314 -4.481 5.548 277 2HG2 ILE 33 2HG2 ILE 33 -2.597 -6.103 4.917 278 3HG2 ILE 33 3HG2 ILE 33 -2.745 -4.705 3.852 279 1HD1 ILE 33 1HD1 ILE 33 -0.605 -2.076 5.299 280 2HD1 ILE 33 2HD1 ILE 33 0.793 -2.925 5.957 281 3HD1 ILE 33 3HD1 ILE 33 -0.830 -3.563 6.221 282 HA PRO 34 HA PRO 34 0.765 -10.220 4.775 283 1HB PRO 34 2HB PRO 34 -1.406 -11.240 6.440 284 2HB PRO 34 1HB PRO 34 0.333 -11.514 6.576 285 1HG PRO 34 2HG PRO 34 -1.052 -10.028 8.366 286 2HG PRO 34 1HG PRO 34 0.643 -9.702 7.958 287 1HD PRO 34 2HD PRO 34 -1.838 -8.324 6.990 288 2HD PRO 34 1HD PRO 34 -0.279 -7.626 7.480 289 H GLY 35 H GLY 35 0.048 -10.103 2.661 290 1HA GLY 35 2HA GLY 35 -1.358 -10.378 0.856 291 2HA GLY 35 1HA GLY 35 -1.933 -11.750 1.786 292 H HIS 36 H HIS 36 -2.298 -8.266 2.385 293 HA HIS 36 HA HIS 36 -4.141 -6.983 2.753 294 1HB HIS 36 2HB HIS 36 -4.419 -8.059 0.268 295 2HB HIS 36 1HB HIS 36 -5.912 -8.602 1.032 296 HD2 HIS 36 2HD HIS 36 -4.092 -5.205 0.248 297 HE1 HIS 36 1HE HIS 36 -8.248 -4.549 0.709 298 HE2 HIS 36 2HE HIS 36 -6.003 -3.451 0.285 299 H LEU 37 H LEU 37 -4.237 -7.834 4.936 300 HA LEU 37 HA LEU 37 -5.906 -10.030 5.614 301 1HB LEU 37 2HB LEU 37 -5.471 -9.501 7.849 302 2HB LEU 37 1HB LEU 37 -4.025 -8.995 6.998 303 HG LEU 37 HG LEU 37 -6.212 -7.037 7.638 304 1HD1 LEU 37 1HD1 LEU 37 -3.988 -7.995 9.417 305 2HD1 LEU 37 2HD1 LEU 37 -5.712 -7.897 9.773 306 3HD1 LEU 37 3HD1 LEU 37 -4.760 -6.421 9.617 307 1HD2 LEU 37 1HD2 LEU 37 -4.502 -5.404 7.374 308 2HD2 LEU 37 2HD2 LEU 37 -4.413 -6.490 5.987 309 3HD2 LEU 37 3HD2 LEU 37 -3.247 -6.642 7.302 310 H ASN 38 H ASN 38 -6.430 -6.593 5.227 311 HA ASN 38 HA ASN 38 -9.256 -6.940 5.042 312 1HB ASN 38 2HB ASN 38 -10.015 -5.938 6.994 313 2HB ASN 38 1HB ASN 38 -8.636 -6.858 7.588 314 1HD2 ASN 38 1HD2 ASN 38 -6.590 -5.174 6.644 315 2HD2 ASN 38 2HD2 ASN 38 -6.644 -3.700 7.543 316 H SER 39 H SER 39 -10.063 -4.314 5.549 317 HA SER 39 HA SER 39 -8.872 -2.975 3.267 318 1HB SER 39 2HB SER 39 -11.391 -2.780 4.782 319 2HB SER 39 1HB SER 39 -10.752 -1.233 4.226 320 HG SER 39 HG SER 39 -10.498 -2.819 2.191 321 H TYR 40 H TYR 40 -7.002 -1.962 3.677 322 HA TYR 40 HA TYR 40 -6.909 -0.148 5.998 323 1HB TYR 40 2HB TYR 40 -5.394 -1.961 6.441 324 2HB TYR 40 1HB TYR 40 -4.693 -1.844 4.832 325 HD1 TYR 40 1HD TYR 40 -5.314 0.493 7.693 326 HD2 TYR 40 2HD TYR 40 -2.570 -0.965 4.787 327 HE1 TYR 40 1HE TYR 40 -3.591 2.018 8.563 328 HE2 TYR 40 2HE TYR 40 -0.839 0.555 5.649 329 HH TYR 40 HH TYR 40 -1.562 2.979 8.074 330 H THR 41 H THR 41 -7.168 1.836 5.210 331 HA THR 41 HA THR 41 -5.611 2.603 2.825 332 HB THR 41 HB THR 41 -7.915 4.308 3.398 333 HG1 THR 41 1HG THR 41 -9.290 2.546 2.363 334 1HG2 THR 41 1HG2 THR 41 -7.480 2.782 0.869 335 2HG2 THR 41 2HG2 THR 41 -6.348 4.060 1.310 336 3HG2 THR 41 3HG2 THR 41 -8.059 4.432 1.101 337 H ILE 42 H ILE 42 -4.639 4.632 2.798 338 HA ILE 42 HA ILE 42 -4.089 5.747 5.434 339 HB ILE 42 HB ILE 42 -2.865 6.538 2.789 340 1HG1 ILE 42 2HG1 ILE 42 -1.532 4.733 4.782 341 2HG1 ILE 42 1HG1 ILE 42 -2.650 4.059 3.600 342 1HG2 ILE 42 1HG2 ILE 42 -1.356 7.790 3.951 343 2HG2 ILE 42 2HG2 ILE 42 -1.470 6.789 5.399 344 3HG2 ILE 42 3HG2 ILE 42 -2.747 7.946 5.024 345 1HD1 ILE 42 1HD1 ILE 42 -1.278 4.599 1.812 346 2HD1 ILE 42 2HD1 ILE 42 -0.143 4.083 3.060 347 3HD1 ILE 42 3HD1 ILE 42 -0.379 5.801 2.738 348 H LYS 43 H LYS 43 -4.672 7.754 6.104 349 HA LYS 43 HA LYS 43 -6.314 9.352 4.251 350 1HB LYS 43 2HB LYS 43 -6.772 8.452 6.987 351 2HB LYS 43 1HB LYS 43 -6.977 10.189 6.809 352 1HG LYS 43 2HG LYS 43 -9.092 9.109 6.495 353 2HG LYS 43 1HG LYS 43 -8.555 9.774 4.952 354 1HD LYS 43 2HD LYS 43 -8.432 7.748 3.996 355 2HD LYS 43 1HD LYS 43 -7.677 7.025 5.418 356 1HE LYS 43 2HE LYS 43 -10.590 7.727 5.402 357 2HE LYS 43 1HE LYS 43 -10.019 6.210 4.707 358 1HZ LYS 43 1HZ LYS 43 -10.706 6.004 7.043 359 2HZ LYS 43 2HZ LYS 43 -9.492 7.091 7.493 360 3HZ LYS 43 3HZ LYS 43 -9.079 5.598 6.815 361 H GLY 44 H GLY 44 -6.139 11.618 4.316 362 1HA GLY 44 2HA GLY 44 -5.177 13.610 5.364 363 2HA GLY 44 1HA GLY 44 -3.759 12.642 5.738 364 H LEU 45 H LEU 45 -5.280 12.263 2.658 365 HA LEU 45 HA LEU 45 -3.153 13.869 1.399 366 1HB LEU 45 2HB LEU 45 -4.274 11.321 0.242 367 2HB LEU 45 1HB LEU 45 -2.902 12.239 -0.332 368 HG LEU 45 HG LEU 45 -1.685 11.608 1.770 369 1HD1 LEU 45 1HD1 LEU 45 -2.690 9.441 2.796 370 2HD1 LEU 45 2HD1 LEU 45 -4.220 10.089 2.204 371 3HD1 LEU 45 3HD1 LEU 45 -3.255 11.015 3.353 372 1HD2 LEU 45 1HD2 LEU 45 -1.298 9.262 1.044 373 2HD2 LEU 45 2HD2 LEU 45 -1.223 10.437 -0.268 374 3HD2 LEU 45 3HD2 LEU 45 -2.656 9.429 -0.069 375 H LYS 46 H LYS 46 -3.720 14.254 -1.006 376 HA LYS 46 HA LYS 46 -6.345 14.214 -1.933 377 1HB LYS 46 2HB LYS 46 -6.939 16.594 -1.692 378 2HB LYS 46 1HB LYS 46 -6.837 15.782 -0.140 379 1HG LYS 46 2HG LYS 46 -4.724 16.798 0.321 380 2HG LYS 46 1HG LYS 46 -4.632 17.459 -1.312 381 1HD LYS 46 2HD LYS 46 -5.919 19.216 -0.788 382 2HD LYS 46 1HD LYS 46 -7.068 18.217 0.104 383 1HE LYS 46 2HE LYS 46 -5.968 18.485 2.093 384 2HE LYS 46 1HE LYS 46 -4.402 18.721 1.318 385 1HZ LYS 46 1HZ LYS 46 -5.955 20.680 2.360 386 2HZ LYS 46 2HZ LYS 46 -6.297 20.791 0.708 387 3HZ LYS 46 3HZ LYS 46 -4.700 20.916 1.250 388 HA PRO 47 HA PRO 47 -4.675 15.350 -5.840 389 1HB PRO 47 2HB PRO 47 -6.405 17.792 -5.762 390 2HB PRO 47 1HB PRO 47 -6.178 16.623 -7.070 391 1HG PRO 47 2HG PRO 47 -8.358 16.513 -5.585 392 2HG PRO 47 1HG PRO 47 -7.514 15.016 -6.026 393 1HD PRO 47 2HD PRO 47 -7.553 16.471 -3.421 394 2HD PRO 47 1HD PRO 47 -7.503 14.727 -3.741 395 H GLY 48 H GLY 48 -4.787 17.739 -3.307 396 1HA GLY 48 2HA GLY 48 -2.878 19.507 -4.572 397 2HA GLY 48 1HA GLY 48 -3.538 19.667 -2.952 398 H VAL 49 H VAL 49 -2.835 17.012 -2.073 399 HA VAL 49 HA VAL 49 0.089 17.342 -1.910 400 HB VAL 49 HB VAL 49 -1.007 15.662 0.175 401 1HG1 VAL 49 1HG1 VAL 49 0.605 16.660 1.431 402 2HG1 VAL 49 2HG1 VAL 49 0.348 18.248 0.707 403 3HG1 VAL 49 3HG1 VAL 49 1.243 17.006 -0.178 404 1HG2 VAL 49 1HG2 VAL 49 -2.706 16.839 0.987 405 2HG2 VAL 49 2HG2 VAL 49 -2.635 17.873 -0.440 406 3HG2 VAL 49 3HG2 VAL 49 -1.727 18.308 1.009 407 H VAL 50 H VAL 50 1.291 15.790 -2.721 408 HA VAL 50 HA VAL 50 0.054 13.190 -3.298 409 HB VAL 50 HB VAL 50 0.973 14.071 -5.288 410 1HG1 VAL 50 1HG1 VAL 50 3.346 14.823 -3.605 411 2HG1 VAL 50 2HG1 VAL 50 2.291 15.873 -4.551 412 3HG1 VAL 50 3HG1 VAL 50 3.412 14.783 -5.368 413 1HG2 VAL 50 1HG2 VAL 50 1.539 11.707 -4.843 414 2HG2 VAL 50 2HG2 VAL 50 3.085 12.227 -4.171 415 3HG2 VAL 50 3HG2 VAL 50 2.724 12.509 -5.875 416 H TYR 51 H TYR 51 0.709 11.396 -2.261 417 HA TYR 51 HA TYR 51 3.023 11.646 -0.453 418 1HB TYR 51 2HB TYR 51 0.453 10.098 -0.201 419 2HB TYR 51 1HB TYR 51 1.880 9.659 0.732 420 HD1 TYR 51 1HD TYR 51 1.514 10.255 2.930 421 HD2 TYR 51 2HD TYR 51 0.418 12.995 -0.136 422 HE1 TYR 51 1HE TYR 51 0.922 11.920 4.638 423 HE2 TYR 51 2HE TYR 51 -0.176 14.669 1.565 424 HH TYR 51 HH TYR 51 -0.100 13.897 5.009 425 H GLU 52 H GLU 52 4.765 10.522 -1.048 426 HA GLU 52 HA GLU 52 4.542 8.508 -3.102 427 1HB GLU 52 2HB GLU 52 6.572 9.405 -3.482 428 2HB GLU 52 1HB GLU 52 6.671 10.070 -1.859 429 1HG GLU 52 2HG GLU 52 8.487 8.625 -2.019 430 2HG GLU 52 1HG GLU 52 7.282 7.712 -1.111 431 H GLY 53 H GLY 53 4.337 6.381 -2.804 432 1HA GLY 53 2HA GLY 53 4.909 5.298 -0.119 433 2HA GLY 53 1HA GLY 53 3.452 4.862 -0.997 434 H GLN 54 H GLN 54 5.357 3.022 0.003 435 HA GLN 54 HA GLN 54 6.242 1.856 -2.550 436 1HB GLN 54 2HB GLN 54 8.244 2.738 -1.589 437 2HB GLN 54 1HB GLN 54 7.847 2.081 -0.007 438 1HG GLN 54 2HG GLN 54 8.587 0.017 -0.520 439 2HG GLN 54 1HG GLN 54 8.076 0.130 -2.203 440 1HE2 GLN 54 1HE2 GLN 54 10.044 2.548 -0.637 441 2HE2 GLN 54 2HE2 GLN 54 11.495 2.221 -1.516 442 H LEU 55 H LEU 55 5.378 -0.073 -2.855 443 HA LEU 55 HA LEU 55 4.585 -1.641 -0.493 444 1HB LEU 55 2HB LEU 55 3.352 -1.231 -3.157 445 2HB LEU 55 1HB LEU 55 3.246 -2.848 -2.488 446 HG LEU 55 HG LEU 55 2.385 -0.456 -0.894 447 1HD1 LEU 55 1HD1 LEU 55 1.273 -0.906 -3.290 448 2HD1 LEU 55 2HD1 LEU 55 0.365 -0.317 -1.898 449 3HD1 LEU 55 3HD1 LEU 55 0.332 -2.032 -2.311 450 1HD2 LEU 55 1HD2 LEU 55 1.128 -2.024 0.361 451 2HD2 LEU 55 2HD2 LEU 55 2.746 -2.699 0.172 452 3HD2 LEU 55 3HD2 LEU 55 1.419 -3.301 -0.821 453 H ILE 56 H ILE 56 6.149 -3.050 -0.063 454 HA ILE 56 HA ILE 56 7.399 -4.497 -2.300 455 HB ILE 56 HB ILE 56 8.482 -4.034 0.484 456 1HG1 ILE 56 2HG1 ILE 56 9.704 -2.999 -2.049 457 2HG1 ILE 56 1HG1 ILE 56 8.392 -2.117 -1.284 458 1HG2 ILE 56 1HG2 ILE 56 9.069 -6.205 -0.793 459 2HG2 ILE 56 2HG2 ILE 56 10.372 -5.252 -0.079 460 3HG2 ILE 56 3HG2 ILE 56 10.046 -5.144 -1.809 461 1HD1 ILE 56 1HD1 ILE 56 10.007 -1.090 -0.147 462 2HD1 ILE 56 2HD1 ILE 56 11.193 -2.339 -0.526 463 3HD1 ILE 56 3HD1 ILE 56 10.072 -2.565 0.816 464 H SER 57 H SER 57 6.768 -6.539 -2.529 465 HA SER 57 HA SER 57 5.329 -7.861 -0.410 466 1HB SER 57 2HB SER 57 6.145 -9.323 -2.879 467 2HB SER 57 1HB SER 57 4.623 -9.376 -1.988 468 HG SER 57 HG SER 57 4.407 -8.278 -3.984 469 H ILE 58 H ILE 58 6.024 -9.406 0.860 470 HA ILE 58 HA ILE 58 8.813 -10.300 0.599 471 HB ILE 58 HB ILE 58 7.241 -9.506 3.018 472 1HG1 ILE 58 2HG1 ILE 58 9.846 -8.745 3.346 473 2HG1 ILE 58 1HG1 ILE 58 9.688 -8.716 1.591 474 1HG2 ILE 58 1HG2 ILE 58 8.122 -11.840 3.359 475 2HG2 ILE 58 2HG2 ILE 58 8.718 -10.635 4.501 476 3HG2 ILE 58 3HG2 ILE 58 9.744 -11.174 3.171 477 1HD1 ILE 58 1HD1 ILE 58 8.493 -6.968 3.633 478 2HD1 ILE 58 2HD1 ILE 58 7.449 -7.403 2.280 479 3HD1 ILE 58 3HD1 ILE 58 8.998 -6.614 1.981 480 H GLN 59 H GLN 59 9.235 -12.423 0.569 481 HA GLN 59 HA GLN 59 7.004 -14.287 0.630 482 1HB GLN 59 2HB GLN 59 9.435 -14.159 -0.772 483 2HB GLN 59 1HB GLN 59 9.595 -15.532 0.313 484 1HG GLN 59 2HG GLN 59 7.409 -15.096 -1.709 485 2HG GLN 59 1HG GLN 59 8.746 -16.240 -1.833 486 1HE2 GLN 59 1HE2 GLN 59 5.798 -15.456 -0.122 487 2HE2 GLN 59 2HE2 GLN 59 5.499 -17.046 0.487 488 H GLN 60 H GLN 60 7.883 -16.575 1.588 489 HA GLN 60 HA GLN 60 7.812 -16.259 4.384 490 1HB GLN 60 2HB GLN 60 8.807 -18.745 3.012 491 2HB GLN 60 1HB GLN 60 7.913 -18.611 4.520 492 1HG GLN 60 2HG GLN 60 6.328 -17.483 2.456 493 2HG GLN 60 1HG GLN 60 6.923 -19.049 1.905 494 1HE2 GLN 60 1HE2 GLN 60 7.064 -20.320 4.404 495 2HE2 GLN 60 2HE2 GLN 60 5.452 -20.576 4.971 496 H TYR 61 H TYR 61 10.428 -16.552 2.099 497 HA TYR 61 HA TYR 61 12.374 -16.690 4.291 498 1HB TYR 61 2HB TYR 61 14.025 -17.268 2.563 499 2HB TYR 61 1HB TYR 61 12.657 -18.375 2.546 500 HD1 TYR 61 1HD TYR 61 14.603 -16.009 0.653 501 HD2 TYR 61 2HD TYR 61 10.908 -18.115 0.754 502 HE1 TYR 61 1HE TYR 61 14.299 -15.577 -1.748 503 HE2 TYR 61 2HE TYR 61 10.593 -17.690 -1.649 504 HH TYR 61 HH TYR 61 12.980 -16.762 -3.679 505 H GLY 62 H GLY 62 10.791 -14.388 2.629 506 1HA GLY 62 2HA GLY 62 11.298 -12.079 2.978 507 2HA GLY 62 1HA GLY 62 13.005 -12.490 2.994 508 H HIS 63 H HIS 63 11.584 -10.450 1.465 509 HA HIS 63 HA HIS 63 11.701 -9.489 -0.587 510 1HB HIS 63 2HB HIS 63 14.007 -10.945 -0.407 511 2HB HIS 63 1HB HIS 63 13.298 -11.588 -1.884 512 HD2 HIS 63 2HD HIS 63 14.833 -10.349 -3.730 513 HE1 HIS 63 1HE HIS 63 14.191 -6.403 -2.344 514 HE2 HIS 63 2HE HIS 63 15.336 -7.832 -4.097 515 H GLN 64 H GLN 64 10.604 -9.506 -2.522 516 HA GLN 64 HA GLN 64 9.698 -11.870 -3.811 517 1HB GLN 64 2HB GLN 64 8.044 -10.784 -1.683 518 2HB GLN 64 1HB GLN 64 7.198 -10.804 -3.221 519 1HG GLN 64 2HG GLN 64 8.210 -13.051 -1.578 520 2HG GLN 64 1HG GLN 64 6.647 -12.845 -2.363 521 1HE2 GLN 64 1HE2 GLN 64 9.927 -13.882 -2.739 522 2HE2 GLN 64 2HE2 GLN 64 9.736 -14.629 -4.286 523 H GLU 65 H GLU 65 8.465 -8.595 -3.168 524 HA GLU 65 HA GLU 65 8.849 -7.905 -5.986 525 1HB GLU 65 2HB GLU 65 6.415 -8.755 -5.145 526 2HB GLU 65 1HB GLU 65 6.282 -7.033 -4.807 527 1HG GLU 65 2HG GLU 65 7.276 -6.938 -7.304 528 2HG GLU 65 1HG GLU 65 6.391 -8.461 -7.383 529 H VAL 66 H VAL 66 9.181 -5.732 -6.365 530 HA VAL 66 HA VAL 66 8.957 -3.912 -4.075 531 HB VAL 66 HB VAL 66 11.377 -4.075 -5.879 532 1HG1 VAL 66 1HG1 VAL 66 12.259 -2.246 -4.479 533 2HG1 VAL 66 2HG1 VAL 66 10.707 -2.152 -3.647 534 3HG1 VAL 66 3HG1 VAL 66 10.810 -1.764 -5.364 535 1HG2 VAL 66 1HG2 VAL 66 12.390 -4.312 -3.436 536 2HG2 VAL 66 2HG2 VAL 66 11.829 -5.710 -4.353 537 3HG2 VAL 66 3HG2 VAL 66 10.796 -4.994 -3.115 538 H THR 67 H THR 67 7.586 -2.389 -4.662 539 HA THR 67 HA THR 67 7.873 -1.187 -7.320 540 HB THR 67 HB THR 67 5.428 -2.464 -6.167 541 HG1 THR 67 1HG THR 67 5.480 -3.451 -8.060 542 1HG2 THR 67 1HG2 THR 67 4.233 -1.043 -8.064 543 2HG2 THR 67 2HG2 THR 67 5.485 0.126 -7.643 544 3HG2 THR 67 3HG2 THR 67 4.362 -0.445 -6.409 545 H ARG 68 H ARG 68 8.180 0.917 -7.113 546 HA ARG 68 HA ARG 68 7.106 2.290 -4.738 547 1HB ARG 68 2HB ARG 68 9.283 3.521 -6.349 548 2HB ARG 68 1HB ARG 68 8.998 3.582 -4.616 549 1HG ARG 68 2HG ARG 68 10.200 1.711 -4.212 550 2HG ARG 68 1HG ARG 68 9.727 0.947 -5.731 551 1HD ARG 68 2HD ARG 68 12.041 1.397 -5.908 552 2HD ARG 68 1HD ARG 68 11.225 2.608 -6.895 553 HE ARG 68 HE ARG 68 12.021 3.272 -4.151 554 1HH1 ARG 68 1HH1 ARG 68 12.335 3.746 -7.589 555 2HH1 ARG 68 2HH1 ARG 68 13.242 5.213 -7.434 556 1HH2 ARG 68 1HH2 ARG 68 13.216 5.205 -3.939 557 2HH2 ARG 68 2HH2 ARG 68 13.744 6.041 -5.360 558 H PHE 69 H PHE 69 5.782 4.000 -4.988 559 HA PHE 69 HA PHE 69 5.657 5.462 -7.478 560 1HB PHE 69 2HB PHE 69 3.172 5.031 -7.731 561 2HB PHE 69 1HB PHE 69 4.234 3.699 -8.172 562 HD1 PHE 69 1HD PHE 69 2.359 4.975 -5.197 563 HD2 PHE 69 2HD PHE 69 3.698 1.605 -7.424 564 HE1 PHE 69 1HE PHE 69 1.122 3.484 -3.679 565 HE2 PHE 69 2HE PHE 69 2.465 0.109 -5.909 566 HZ PHE 69 HZ PHE 69 1.176 1.048 -4.034 567 H ASP 70 H ASP 70 4.345 7.357 -7.385 568 HA ASP 70 HA ASP 70 3.896 8.290 -4.640 569 1HB ASP 70 2HB ASP 70 3.651 10.548 -6.034 570 2HB ASP 70 1HB ASP 70 5.229 9.916 -5.574 571 H PHE 71 H PHE 71 1.863 8.396 -3.921 572 HA PHE 71 HA PHE 71 -0.304 8.884 -5.838 573 1HB PHE 71 2HB PHE 71 -1.550 7.029 -5.224 574 2HB PHE 71 1HB PHE 71 0.087 6.380 -5.170 575 HD1 PHE 71 1HD PHE 71 1.026 5.588 -3.153 576 HD2 PHE 71 2HD PHE 71 -2.703 7.665 -3.079 577 HE1 PHE 71 1HE PHE 71 0.695 4.914 -0.811 578 HE2 PHE 71 2HE PHE 71 -3.028 6.986 -0.739 579 HZ PHE 71 HZ PHE 71 -1.333 5.610 0.397 580 H THR 72 H THR 72 -2.357 9.423 -4.790 581 HA THR 72 HA THR 72 -2.119 10.478 -2.076 582 HB THR 72 HB THR 72 -1.824 12.545 -2.988 583 HG1 THR 72 1HG THR 72 -4.026 12.402 -2.067 584 1HG2 THR 72 1HG2 THR 72 -2.029 13.104 -5.189 585 2HG2 THR 72 2HG2 THR 72 -3.548 12.228 -5.383 586 3HG2 THR 72 3HG2 THR 72 -2.020 11.349 -5.365 587 H THR 73 H THR 73 -3.941 10.151 -0.894 588 HA THR 73 HA THR 73 -5.914 8.387 -1.743 589 HB THR 73 HB THR 73 -5.330 9.106 0.662 590 HG1 THR 73 1HG THR 73 -7.186 7.742 -0.139 591 1HG2 THR 73 1HG2 THR 73 -7.631 10.915 0.674 592 2HG2 THR 73 2HG2 THR 73 -6.232 11.548 -0.197 593 3HG2 THR 73 3HG2 THR 73 -6.072 11.056 1.491 594 H THR 74 H THR 74 -5.697 11.838 -1.952 595 HA THR 74 HA THR 74 -6.943 13.446 -2.906 596 HB THR 74 HB THR 74 -8.026 12.933 -5.015 597 HG1 THR 74 1HG THR 74 -8.631 10.943 -5.533 598 1HG2 THR 74 1HG2 THR 74 -6.060 12.511 -6.104 599 2HG2 THR 74 2HG2 THR 74 -5.638 11.160 -5.046 600 3HG2 THR 74 3HG2 THR 74 -5.426 12.822 -4.484 601 H SER 75 H SER 75 -8.429 14.410 -1.814 602 HA SER 75 HA SER 75 -10.676 13.049 -0.670 603 1HB SER 75 2HB SER 75 -9.335 15.035 0.305 604 2HB SER 75 1HB SER 75 -10.321 16.039 -0.758 605 HG SER 75 HG SER 75 -11.751 15.937 0.769 606 H THR 76 H THR 76 -10.809 12.759 -3.414 607 HA THR 76 HA THR 76 -13.305 14.164 -3.995 608 HB THR 76 HB THR 76 -11.868 15.541 -5.239 609 HG1 THR 76 1HG THR 76 -13.548 14.024 -6.474 610 1HG2 THR 76 1HG2 THR 76 -10.012 13.595 -5.018 611 2HG2 THR 76 2HG2 THR 76 -9.861 14.965 -6.117 612 3HG2 THR 76 3HG2 THR 76 -10.450 13.415 -6.716 613 H SER 77 H SER 77 -14.790 12.676 -4.444 614 HA SER 77 HA SER 77 -14.116 10.434 -6.173 615 1HB SER 77 2HB SER 77 -15.156 10.114 -3.355 616 2HB SER 77 1HB SER 77 -15.282 8.844 -4.573 617 HG SER 77 HG SER 77 -12.881 9.258 -4.778 618 H THR 78 H THR 78 -15.961 12.938 -5.822 619 HA THR 78 HA THR 78 -18.092 11.907 -7.395 620 HB THR 78 HB THR 78 -19.061 11.080 -5.404 621 HG1 THR 78 1HG THR 78 -20.437 13.487 -5.355 622 1HG2 THR 78 1HG2 THR 78 -17.793 13.400 -4.197 623 2HG2 THR 78 2HG2 THR 78 -18.290 11.877 -3.462 624 3HG2 THR 78 3HG2 THR 78 -19.456 13.186 -3.651 625 HA PRO 79 HA PRO 79 -17.383 16.484 -7.637 626 1HB PRO 79 2HB PRO 79 -16.244 16.631 -10.046 627 2HB PRO 79 1HB PRO 79 -15.307 16.167 -8.619 628 1HG PRO 79 2HG PRO 79 -16.431 14.450 -10.790 629 2HG PRO 79 1HG PRO 79 -14.870 14.330 -9.960 630 1HD PRO 79 2HD PRO 79 -17.119 12.814 -9.366 631 2HD PRO 79 1HD PRO 79 -15.747 13.077 -8.274 632 H GLY 80 H GLY 80 -19.588 14.482 -8.593 633 1HA GLY 80 2HA GLY 80 -21.627 15.827 -9.378 634 2HA GLY 80 1HA GLY 80 -20.645 16.117 -10.806 635 H SER 81 H SER 81 -20.844 13.114 -8.968 636 HA SER 81 HA SER 81 -21.400 10.995 -9.576 637 1HB SER 81 2HB SER 81 -23.506 12.493 -11.150 638 2HB SER 81 1HB SER 81 -23.507 10.747 -10.898 639 HG SER 81 HG SER 81 -24.696 12.316 -9.375 640 H ARG 82 H ARG 82 -19.478 10.519 -10.668 641 HA ARG 82 HA ARG 82 -19.032 11.159 -13.395 642 1HB ARG 82 2HB ARG 82 -17.717 9.481 -11.340 643 2HB ARG 82 1HB ARG 82 -17.400 9.043 -13.013 644 1HG ARG 82 2HG ARG 82 -16.339 11.048 -13.474 645 2HG ARG 82 1HG ARG 82 -17.100 11.879 -12.115 646 1HD ARG 82 2HD ARG 82 -15.599 11.071 -10.602 647 2HD ARG 82 1HD ARG 82 -15.336 9.575 -11.497 648 HE ARG 82 HE ARG 82 -14.308 11.880 -12.852 649 1HH1 ARG 82 1HH1 ARG 82 -13.635 9.506 -10.390 650 2HH1 ARG 82 2HH1 ARG 82 -11.915 9.653 -10.539 651 1HH2 ARG 82 1HH2 ARG 82 -12.048 12.081 -13.052 652 2HH2 ARG 82 2HH2 ARG 82 -11.013 11.118 -12.051 653 H SER 83 H SER 83 -19.299 7.866 -12.076 654 HA SER 83 HA SER 83 -20.175 5.950 -12.937 655 1HB SER 83 2HB SER 83 -22.211 8.035 -13.586 656 2HB SER 83 1HB SER 83 -22.408 6.430 -14.290 657 HG SER 83 HG SER 83 -22.346 5.574 -12.178 658 H HIS 84 H HIS 84 -21.548 5.424 -15.328 659 HA HIS 84 HA HIS 84 -19.644 6.252 -17.407 660 1HB HIS 84 2HB HIS 84 -19.842 3.857 -18.293 661 2HB HIS 84 1HB HIS 84 -18.840 4.104 -16.868 662 HD2 HIS 84 2HD HIS 84 -21.668 1.918 -18.041 663 HE1 HIS 84 1HE HIS 84 -21.634 1.697 -13.815 664 HE2 HIS 84 2HE HIS 84 -22.693 0.799 -15.937 665 H HIS 85 H HIS 85 -20.949 7.514 -18.607 666 HA HIS 85 HA HIS 85 -23.473 6.330 -19.564 667 1HB HIS 85 2HB HIS 85 -22.795 9.097 -18.690 668 2HB HIS 85 1HB HIS 85 -23.937 8.916 -20.018 669 HD2 HIS 85 2HD HIS 85 -26.291 7.415 -19.330 670 HE1 HIS 85 1HE HIS 85 -25.778 8.172 -15.197 671 HE2 HIS 85 2HE HIS 85 -27.430 7.504 -17.001 672 H HIS 86 H HIS 86 -24.144 7.080 -21.744 673 HA HIS 86 HA HIS 86 -21.785 7.334 -23.481 674 1HB HIS 86 2HB HIS 86 -22.969 6.169 -25.174 675 2HB HIS 86 1HB HIS 86 -23.283 5.289 -23.683 676 HD2 HIS 86 2HD HIS 86 -25.256 5.775 -26.534 677 HE1 HIS 86 1HE HIS 86 -27.896 7.019 -23.470 678 HE2 HIS 86 2HE HIS 86 -27.729 6.138 -25.841 679 H HIS 87 H HIS 87 -24.353 9.085 -22.277 680 HA HIS 87 HA HIS 87 -24.310 10.916 -24.587 681 1HB HIS 87 2HB HIS 87 -26.521 9.731 -23.939 682 2HB HIS 87 1HB HIS 87 -26.542 10.844 -22.575 683 HD2 HIS 87 2HD HIS 87 -28.762 12.169 -23.585 684 HE1 HIS 87 1HE HIS 87 -26.739 13.718 -26.965 685 HE2 HIS 87 2HE HIS 87 -28.920 13.701 -25.672 686 H HIS 88 H HIS 88 -25.060 10.990 -21.096 687 HA HIS 88 HA HIS 88 -23.716 13.601 -20.944 688 1HB HIS 88 2HB HIS 88 -26.109 12.489 -19.708 689 2HB HIS 88 1HB HIS 88 -25.013 13.186 -18.519 690 HD2 HIS 88 2HD HIS 88 -24.047 15.848 -19.986 691 HE1 HIS 88 1HE HIS 88 -28.172 16.591 -20.579 692 HE2 HIS 88 2HE HIS 88 -25.875 17.647 -20.383 693 H HIS 89 H HIS 89 -21.613 13.184 -20.553 694 HA HIS 89 HA HIS 89 -20.577 11.057 -19.066 695 1HB HIS 89 2HB HIS 89 -18.529 12.596 -18.860 696 2HB HIS 89 1HB HIS 89 -19.059 12.159 -20.481 697 HD2 HIS 89 2HD HIS 89 -19.387 14.245 -22.124 698 HE1 HIS 89 1HE HIS 89 -19.647 17.245 -19.152 699 HE2 HIS 89 2HE HIS 89 -19.737 16.769 -21.639 Start of MODEL 19 1 1H MET 1 1HT MET 1 19.844 -17.378 7.458 2 2H MET 1 2HT MET 1 19.314 -15.831 7.026 3 3H MET 1 3HT MET 1 20.102 -16.800 5.888 4 HA MET 1 HA MET 1 17.655 -16.668 5.597 5 1HB MET 1 2HB MET 1 17.444 -19.073 5.167 6 2HB MET 1 1HB MET 1 19.021 -18.480 4.668 7 1HG MET 1 2HG MET 1 20.120 -19.554 6.392 8 2HG MET 1 1HG MET 1 18.661 -19.689 7.372 9 1HE MET 1 1HE MET 1 20.089 -21.564 3.751 10 2HE MET 1 2HE MET 1 20.672 -22.665 5.000 11 3HE MET 1 3HE MET 1 21.032 -20.942 5.105 12 H ARG 2 H ARG 2 18.729 -17.224 8.719 13 HA ARG 2 HA ARG 2 17.716 -17.556 10.724 14 1HB ARG 2 2HB ARG 2 15.297 -16.659 9.151 15 2HB ARG 2 1HB ARG 2 15.330 -16.836 10.900 16 1HG ARG 2 2HG ARG 2 15.864 -14.669 10.897 17 2HG ARG 2 1HG ARG 2 17.485 -15.233 10.482 18 1HD ARG 2 2HD ARG 2 17.052 -13.605 8.878 19 2HD ARG 2 1HD ARG 2 16.675 -15.113 8.045 20 HE ARG 2 HE ARG 2 14.330 -14.625 8.390 21 1HH1 ARG 2 1HH1 ARG 2 16.559 -12.011 8.986 22 2HH1 ARG 2 2HH1 ARG 2 15.364 -10.775 8.773 23 1HH2 ARG 2 1HH2 ARG 2 12.755 -13.007 8.109 24 2HH2 ARG 2 2HH2 ARG 2 13.200 -11.341 8.274 25 H GLY 3 H GLY 3 15.331 -18.562 11.559 26 1HA GLY 3 2HA GLY 3 15.432 -21.299 10.468 27 2HA GLY 3 1HA GLY 3 14.977 -20.888 12.114 28 H SER 4 H SER 4 13.067 -22.140 11.842 29 HA SER 4 HA SER 4 11.038 -20.892 10.109 30 1HB SER 4 2HB SER 4 10.820 -23.654 11.298 31 2HB SER 4 1HB SER 4 9.953 -22.983 9.917 32 HG SER 4 HG SER 4 11.476 -24.049 8.886 33 H ASN 5 H ASN 5 9.201 -20.100 10.980 34 HA ASN 5 HA ASN 5 8.806 -20.464 13.878 35 1HB ASN 5 2HB ASN 5 9.575 -18.136 12.907 36 2HB ASN 5 1HB ASN 5 7.872 -17.983 12.488 37 1HD2 ASN 5 1HD2 ASN 5 6.316 -18.195 14.226 38 2HD2 ASN 5 2HD2 ASN 5 6.756 -17.686 15.818 39 H ALA 6 H ALA 6 7.495 -22.305 13.020 40 HA ALA 6 HA ALA 6 5.471 -23.292 12.717 41 1HB ALA 6 1HB ALA 6 4.680 -21.858 14.490 42 2HB ALA 6 2HB ALA 6 3.437 -21.998 13.246 43 3HB ALA 6 3HB ALA 6 4.420 -20.537 13.350 44 HA PRO 7 HA PRO 7 4.973 -22.532 8.350 45 1HB PRO 7 2HB PRO 7 3.190 -24.538 7.866 46 2HB PRO 7 1HB PRO 7 4.928 -24.804 8.048 47 1HG PRO 7 2HG PRO 7 2.734 -25.169 10.053 48 2HG PRO 7 1HG PRO 7 4.128 -26.212 9.716 49 1HD PRO 7 2HD PRO 7 4.074 -24.517 11.817 50 2HD PRO 7 1HD PRO 7 5.572 -24.892 10.942 51 H GLN 8 H GLN 8 3.591 -21.346 7.146 52 HA GLN 8 HA GLN 8 0.936 -20.788 8.296 53 1HB GLN 8 2HB GLN 8 2.888 -18.999 6.862 54 2HB GLN 8 1HB GLN 8 1.185 -18.583 6.999 55 1HG GLN 8 2HG GLN 8 1.321 -18.500 9.377 56 2HG GLN 8 1HG GLN 8 2.956 -19.162 9.359 57 1HE2 GLN 8 1HE2 GLN 8 4.672 -17.847 8.799 58 2HE2 GLN 8 2HE2 GLN 8 4.536 -16.127 8.708 59 HA PRO 9 HA PRO 9 -1.140 -22.138 4.656 60 1HB PRO 9 2HB PRO 9 -2.805 -19.981 4.137 61 2HB PRO 9 1HB PRO 9 -3.151 -21.279 5.285 62 1HG PRO 9 2HG PRO 9 -2.064 -18.544 5.781 63 2HG PRO 9 1HG PRO 9 -3.216 -19.487 6.743 64 1HD PRO 9 2HD PRO 9 -0.648 -19.242 7.476 65 2HD PRO 9 1HD PRO 9 -1.546 -20.753 7.732 66 H SER 10 H SER 10 -2.113 -20.838 2.498 67 HA SER 10 HA SER 10 0.212 -20.312 0.965 68 1HB SER 10 2HB SER 10 -1.833 -19.377 -0.593 69 2HB SER 10 1HB SER 10 -1.347 -21.069 -0.496 70 HG SER 10 HG SER 10 -3.618 -20.706 -0.148 71 H HIS 11 H HIS 11 -0.850 -18.145 -0.665 72 HA HIS 11 HA HIS 11 -0.702 -15.882 -0.855 73 1HB HIS 11 2HB HIS 11 -1.896 -16.259 1.844 74 2HB HIS 11 1HB HIS 11 -1.257 -14.661 1.468 75 HD2 HIS 11 2HD HIS 11 -2.831 -13.107 -0.099 76 HE1 HIS 11 1HE HIS 11 -5.710 -16.080 -0.982 77 HE2 HIS 11 2HE HIS 11 -5.200 -13.597 -1.036 78 H ILE 12 H ILE 12 0.430 -13.887 0.155 79 HA ILE 12 HA ILE 12 3.164 -14.618 0.608 80 HB ILE 12 HB ILE 12 2.696 -12.653 -0.716 81 1HG1 ILE 12 2HG1 ILE 12 3.800 -10.941 1.160 82 2HG1 ILE 12 1HG1 ILE 12 4.269 -12.534 1.745 83 1HG2 ILE 12 1HG2 ILE 12 0.820 -12.103 1.390 84 2HG2 ILE 12 2HG2 ILE 12 0.934 -11.397 -0.223 85 3HG2 ILE 12 3HG2 ILE 12 1.862 -10.708 1.110 86 1HD1 ILE 12 1HD1 ILE 12 5.507 -13.005 -0.153 87 2HD1 ILE 12 2HD1 ILE 12 5.832 -11.296 0.132 88 3HD1 ILE 12 3HD1 ILE 12 4.683 -11.780 -1.115 89 H SER 13 H SER 13 4.419 -14.278 2.452 90 HA SER 13 HA SER 13 3.287 -14.806 4.925 91 1HB SER 13 2HB SER 13 5.775 -14.919 4.198 92 2HB SER 13 1HB SER 13 5.841 -13.222 4.673 93 HG SER 13 HG SER 13 4.730 -14.254 6.691 94 H LYS 14 H LYS 14 4.208 -11.705 3.501 95 HA LYS 14 HA LYS 14 2.144 -10.259 4.727 96 1HB LYS 14 2HB LYS 14 3.627 -8.819 6.214 97 2HB LYS 14 1HB LYS 14 3.238 -10.426 6.813 98 1HG LYS 14 2HG LYS 14 5.431 -11.224 6.034 99 2HG LYS 14 1HG LYS 14 5.818 -9.587 5.507 100 1HD LYS 14 2HD LYS 14 4.953 -9.331 8.154 101 2HD LYS 14 1HD LYS 14 5.993 -10.756 8.136 102 1HE LYS 14 2HE LYS 14 7.761 -9.452 7.063 103 2HE LYS 14 1HE LYS 14 6.720 -8.028 7.070 104 1HZ LYS 14 1HZ LYS 14 7.174 -7.627 9.203 105 2HZ LYS 14 2HZ LYS 14 8.481 -8.683 9.011 106 3HZ LYS 14 3HZ LYS 14 7.024 -9.250 9.658 107 H TYR 15 H TYR 15 2.016 -8.143 3.966 108 HA TYR 15 HA TYR 15 3.922 -7.489 1.827 109 1HB TYR 15 2HB TYR 15 1.064 -7.292 2.074 110 2HB TYR 15 1HB TYR 15 1.728 -5.684 1.823 111 HD1 TYR 15 1HD TYR 15 1.181 -8.979 0.348 112 HD2 TYR 15 2HD TYR 15 2.873 -5.117 -0.259 113 HE1 TYR 15 1HE TYR 15 1.338 -9.433 -2.063 114 HE2 TYR 15 2HE TYR 15 3.040 -5.567 -2.671 115 HH TYR 15 HH TYR 15 2.064 -8.696 -4.033 116 H ILE 16 H ILE 16 4.692 -5.285 1.642 117 HA ILE 16 HA ILE 16 4.743 -3.918 4.248 118 HB ILE 16 HB ILE 16 6.927 -4.747 2.645 119 1HG1 ILE 16 2HG1 ILE 16 6.779 -4.638 5.125 120 2HG1 ILE 16 1HG1 ILE 16 8.237 -3.873 4.500 121 1HG2 ILE 16 1HG2 ILE 16 8.096 -2.759 2.068 122 2HG2 ILE 16 2HG2 ILE 16 6.939 -1.736 2.921 123 3HG2 ILE 16 3HG2 ILE 16 6.465 -2.539 1.430 124 1HD1 ILE 16 1HD1 ILE 16 7.700 -2.146 5.792 125 2HD1 ILE 16 2HD1 ILE 16 6.061 -2.745 6.053 126 3HD1 ILE 16 3HD1 ILE 16 6.435 -1.795 4.615 127 H LEU 17 H LEU 17 4.648 -1.729 4.345 128 HA LEU 17 HA LEU 17 4.076 -0.320 1.853 129 1HB LEU 17 2HB LEU 17 2.139 -0.921 3.744 130 2HB LEU 17 1HB LEU 17 2.594 0.730 4.126 131 HG LEU 17 HG LEU 17 2.293 0.712 1.350 132 1HD1 LEU 17 1HD1 LEU 17 0.256 -0.316 0.843 133 2HD1 LEU 17 2HD1 LEU 17 -0.145 -0.571 2.541 134 3HD1 LEU 17 3HD1 LEU 17 1.131 -1.523 1.784 135 1HD2 LEU 17 1HD2 LEU 17 -0.082 1.640 2.629 136 2HD2 LEU 17 2HD2 LEU 17 1.244 2.574 1.938 137 3HD2 LEU 17 3HD2 LEU 17 1.309 2.064 3.625 138 H ARG 18 H ARG 18 5.726 0.985 1.686 139 HA ARG 18 HA ARG 18 6.618 2.466 4.066 140 1HB ARG 18 2HB ARG 18 8.253 1.744 1.618 141 2HB ARG 18 1HB ARG 18 8.832 2.622 3.026 142 1HG ARG 18 2HG ARG 18 9.038 0.749 4.282 143 2HG ARG 18 1HG ARG 18 7.673 -0.056 3.505 144 1HD ARG 18 2HD ARG 18 9.065 -1.183 2.195 145 2HD ARG 18 1HD ARG 18 9.709 0.329 1.558 146 HE ARG 18 HE ARG 18 11.551 0.080 2.903 147 1HH1 ARG 18 1HH1 ARG 18 9.063 -2.132 3.932 148 2HH1 ARG 18 2HH1 ARG 18 10.099 -2.995 5.018 149 1HH2 ARG 18 1HH2 ARG 18 12.923 -1.054 4.330 150 2HH2 ARG 18 2HH2 ARG 18 12.292 -2.382 5.245 151 H TRP 19 H TRP 19 6.301 4.638 3.906 152 HA TRP 19 HA TRP 19 6.347 5.837 1.288 153 1HB TRP 19 2HB TRP 19 4.144 6.086 0.893 154 2HB TRP 19 1HB TRP 19 3.995 4.708 1.970 155 HD1 TRP 19 HD TRP 19 3.789 8.558 2.093 156 HE1 TRP 19 1HE TRP 19 2.110 9.197 3.958 157 HE3 TRP 19 3HE TRP 19 2.812 3.898 3.936 158 HZ2 TRP 19 2HZ TRP 19 0.581 7.878 5.947 159 HZ3 TRP 19 3HZ TRP 19 1.242 3.662 5.814 160 HH2 TRP 19 HH TRP 19 0.148 5.615 6.797 161 H ARG 20 H ARG 20 6.000 8.061 1.230 162 HA ARG 20 HA ARG 20 5.929 9.603 3.642 163 1HB ARG 20 2HB ARG 20 8.198 10.700 2.484 164 2HB ARG 20 1HB ARG 20 8.158 9.749 3.950 165 1HG ARG 20 2HG ARG 20 9.880 9.013 2.384 166 2HG ARG 20 1HG ARG 20 8.699 7.755 2.743 167 1HD ARG 20 2HD ARG 20 8.267 7.527 0.593 168 2HD ARG 20 1HD ARG 20 7.782 9.217 0.499 169 HE ARG 20 HE ARG 20 10.249 8.078 -0.413 170 1HH1 ARG 20 1HH1 ARG 20 8.724 10.992 0.743 171 2HH1 ARG 20 2HH1 ARG 20 9.867 12.045 -0.022 172 1HH2 ARG 20 1HH2 ARG 20 11.759 9.458 -1.417 173 2HH2 ARG 20 2HH2 ARG 20 11.592 11.173 -1.249 174 HA PRO 21 HA PRO 21 4.020 12.525 0.963 175 1HB PRO 21 2HB PRO 21 5.395 14.839 1.654 176 2HB PRO 21 1HB PRO 21 4.019 14.182 2.551 177 1HG PRO 21 2HG PRO 21 6.942 13.769 3.000 178 2HG PRO 21 1HG PRO 21 5.702 14.192 4.198 179 1HD PRO 21 2HD PRO 21 6.546 11.719 4.033 180 2HD PRO 21 1HD PRO 21 4.788 12.008 4.095 181 H LYS 22 H LYS 22 4.538 12.161 -1.081 182 HA LYS 22 HA LYS 22 6.916 11.937 -2.352 183 1HB LYS 22 2HB LYS 22 4.642 11.488 -3.265 184 2HB LYS 22 1HB LYS 22 4.462 13.218 -3.544 185 1HG LYS 22 2HG LYS 22 6.883 11.978 -4.681 186 2HG LYS 22 1HG LYS 22 5.349 11.478 -5.394 187 1HD LYS 22 2HD LYS 22 4.779 13.762 -5.893 188 2HD LYS 22 1HD LYS 22 6.202 14.348 -5.028 189 1HE LYS 22 2HE LYS 22 6.566 14.380 -7.438 190 2HE LYS 22 1HE LYS 22 7.649 13.234 -6.649 191 1HZ LYS 22 1HZ LYS 22 6.780 12.208 -8.589 192 2HZ LYS 22 2HZ LYS 22 5.189 12.609 -8.183 193 3HZ LYS 22 3HZ LYS 22 6.033 11.467 -7.263 194 H ASN 23 H ASN 23 5.007 14.963 -2.237 195 HA ASN 23 HA ASN 23 7.327 16.436 -3.213 196 1HB ASN 23 2HB ASN 23 5.205 16.927 -4.275 197 2HB ASN 23 1HB ASN 23 4.473 17.300 -2.717 198 1HD2 ASN 23 1HD2 ASN 23 6.842 18.329 -5.080 199 2HD2 ASN 23 2HD2 ASN 23 6.884 19.987 -4.597 200 H SER 24 H SER 24 5.168 16.404 -0.393 201 HA SER 24 HA SER 24 6.501 18.537 0.939 202 1HB SER 24 2HB SER 24 4.282 18.186 1.633 203 2HB SER 24 1HB SER 24 4.516 16.449 1.809 204 HG SER 24 HG SER 24 4.904 18.425 3.616 205 H VAL 25 H VAL 25 7.862 18.442 2.773 206 HA VAL 25 HA VAL 25 9.732 16.241 2.678 207 HB VAL 25 HB VAL 25 10.568 18.538 2.865 208 1HG1 VAL 25 1HG1 VAL 25 10.006 18.936 5.676 209 2HG1 VAL 25 2HG1 VAL 25 8.529 18.869 4.714 210 3HG1 VAL 25 3HG1 VAL 25 9.788 20.037 4.315 211 1HG2 VAL 25 1HG2 VAL 25 11.156 16.795 5.256 212 2HG2 VAL 25 2HG2 VAL 25 12.132 18.175 4.751 213 3HG2 VAL 25 3HG2 VAL 25 11.978 16.770 3.696 214 H GLY 26 H GLY 26 9.991 14.650 4.151 215 1HA GLY 26 2HA GLY 26 9.079 14.760 6.828 216 2HA GLY 26 1HA GLY 26 7.905 13.904 5.839 217 H ARG 27 H ARG 27 8.381 12.065 7.205 218 HA ARG 27 HA ARG 27 10.901 10.730 6.465 219 1HB ARG 27 2HB ARG 27 10.767 9.506 8.570 220 2HB ARG 27 1HB ARG 27 10.756 11.239 8.865 221 1HG ARG 27 2HG ARG 27 8.202 11.010 8.936 222 2HG ARG 27 1HG ARG 27 8.505 9.280 9.103 223 1HD ARG 27 2HD ARG 27 8.222 10.454 11.272 224 2HD ARG 27 1HD ARG 27 9.774 9.636 11.108 225 HE ARG 27 HE ARG 27 10.072 12.292 10.270 226 1HH1 ARG 27 1HH1 ARG 27 9.447 10.481 13.180 227 2HH1 ARG 27 2HH1 ARG 27 10.203 11.642 14.219 228 1HH2 ARG 27 1HH2 ARG 27 11.071 13.827 11.629 229 2HH2 ARG 27 2HH2 ARG 27 11.127 13.544 13.338 230 H TRP 28 H TRP 28 10.765 8.323 6.445 231 HA TRP 28 HA TRP 28 8.696 7.476 4.709 232 1HB TRP 28 2HB TRP 28 10.962 6.117 6.124 233 2HB TRP 28 1HB TRP 28 9.709 5.130 5.377 234 HD1 TRP 28 HD TRP 28 12.814 7.036 4.582 235 HE1 TRP 28 1HE TRP 28 13.244 7.001 2.048 236 HE3 TRP 28 3HE TRP 28 8.328 5.154 3.017 237 HZ2 TRP 28 2HZ TRP 28 11.870 6.265 -0.308 238 HZ3 TRP 28 3HZ TRP 28 7.957 4.831 0.605 239 HH2 TRP 28 HH TRP 28 9.694 5.369 -1.020 240 H LYS 29 H LYS 29 7.377 5.458 5.168 241 HA LYS 29 HA LYS 29 6.430 5.403 7.956 242 1HB LYS 29 2HB LYS 29 4.965 6.287 5.618 243 2HB LYS 29 1HB LYS 29 4.174 4.910 6.372 244 1HG LYS 29 2HG LYS 29 3.189 6.561 7.561 245 2HG LYS 29 1HG LYS 29 4.625 6.344 8.563 246 1HD LYS 29 2HD LYS 29 5.727 8.168 7.289 247 2HD LYS 29 1HD LYS 29 4.215 8.424 6.417 248 1HE LYS 29 2HE LYS 29 3.674 8.387 9.217 249 2HE LYS 29 1HE LYS 29 5.007 9.499 8.910 250 1HZ LYS 29 1HZ LYS 29 2.846 9.754 7.032 251 2HZ LYS 29 2HZ LYS 29 3.653 10.947 7.920 252 3HZ LYS 29 3HZ LYS 29 2.381 10.084 8.625 253 H GLU 30 H GLU 30 5.216 3.402 8.483 254 HA GLU 30 HA GLU 30 5.860 1.185 6.665 255 1HB GLU 30 2HB GLU 30 6.111 0.614 9.557 256 2HB GLU 30 1HB GLU 30 7.037 -0.009 8.199 257 1HG GLU 30 2HG GLU 30 7.532 2.807 8.604 258 2HG GLU 30 1HG GLU 30 7.853 1.875 10.066 259 H ALA 31 H ALA 31 4.181 -0.035 6.236 260 HA ALA 31 HA ALA 31 2.138 -0.532 8.268 261 1HB ALA 31 1HB ALA 31 1.067 -0.060 5.560 262 2HB ALA 31 2HB ALA 31 1.640 1.371 6.417 263 3HB ALA 31 3HB ALA 31 0.392 0.353 7.136 264 H THR 32 H THR 32 2.163 -2.692 8.463 265 HA THR 32 HA THR 32 2.784 -4.318 6.112 266 HB THR 32 HB THR 32 2.436 -5.471 8.855 267 HG1 THR 32 1HG THR 32 3.860 -3.647 9.034 268 1HG2 THR 32 1HG2 THR 32 3.806 -7.189 8.079 269 2HG2 THR 32 2HG2 THR 32 4.512 -6.185 6.812 270 3HG2 THR 32 3HG2 THR 32 2.859 -6.776 6.648 271 H ILE 33 H ILE 33 1.370 -5.545 5.100 272 HA ILE 33 HA ILE 33 -1.167 -6.260 6.390 273 HB ILE 33 HB ILE 33 -2.059 -5.892 3.886 274 1HG1 ILE 33 2HG1 ILE 33 -0.055 -3.659 4.279 275 2HG1 ILE 33 1HG1 ILE 33 0.152 -4.995 3.153 276 1HG2 ILE 33 1HG2 ILE 33 -3.037 -3.782 4.649 277 2HG2 ILE 33 2HG2 ILE 33 -1.885 -3.731 5.982 278 3HG2 ILE 33 3HG2 ILE 33 -3.093 -5.013 5.909 279 1HD1 ILE 33 1HD1 ILE 33 -1.733 -4.270 1.864 280 2HD1 ILE 33 2HD1 ILE 33 -0.637 -2.908 2.096 281 3HD1 ILE 33 3HD1 ILE 33 -2.116 -3.024 3.050 282 HA PRO 34 HA PRO 34 0.503 -9.986 4.434 283 1HB PRO 34 2HB PRO 34 -0.601 -11.771 6.082 284 2HB PRO 34 1HB PRO 34 0.767 -10.773 6.586 285 1HG PRO 34 2HG PRO 34 -2.143 -10.449 7.200 286 2HG PRO 34 1HG PRO 34 -0.745 -10.241 8.269 287 1HD PRO 34 2HD PRO 34 -2.079 -8.176 7.020 288 2HD PRO 34 1HD PRO 34 -0.398 -8.091 7.579 289 H GLY 35 H GLY 35 -0.328 -10.700 2.604 290 1HA GLY 35 2HA GLY 35 -1.842 -11.317 0.990 291 2HA GLY 35 1HA GLY 35 -2.483 -12.334 2.269 292 H HIS 36 H HIS 36 -2.530 -8.810 2.246 293 HA HIS 36 HA HIS 36 -4.262 -7.340 2.455 294 1HB HIS 36 2HB HIS 36 -4.364 -7.981 0.029 295 2HB HIS 36 1HB HIS 36 -5.605 -9.158 0.445 296 HD2 HIS 36 2HD HIS 36 -5.162 -5.329 0.002 297 HE1 HIS 36 1HE HIS 36 -9.254 -6.180 0.662 298 HE2 HIS 36 2HE HIS 36 -7.556 -4.352 0.211 299 H LEU 37 H LEU 37 -4.636 -8.096 4.655 300 HA LEU 37 HA LEU 37 -6.565 -10.069 5.267 301 1HB LEU 37 2HB LEU 37 -6.629 -8.499 7.473 302 2HB LEU 37 1HB LEU 37 -5.440 -9.749 7.180 303 HG LEU 37 HG LEU 37 -3.815 -8.122 6.444 304 1HD1 LEU 37 1HD1 LEU 37 -4.256 -5.754 6.375 305 2HD1 LEU 37 2HD1 LEU 37 -5.923 -6.014 6.893 306 3HD1 LEU 37 3HD1 LEU 37 -5.389 -6.591 5.314 307 1HD2 LEU 37 1HD2 LEU 37 -3.380 -8.042 8.627 308 2HD2 LEU 37 2HD2 LEU 37 -5.091 -8.006 9.049 309 3HD2 LEU 37 3HD2 LEU 37 -4.253 -6.509 8.638 310 H ASN 38 H ASN 38 -6.793 -6.667 4.551 311 HA ASN 38 HA ASN 38 -9.599 -6.826 4.106 312 1HB ASN 38 2HB ASN 38 -9.451 -6.675 6.635 313 2HB ASN 38 1HB ASN 38 -8.776 -5.063 6.417 314 1HD2 ASN 38 1HD2 ASN 38 -10.100 -3.386 5.964 315 2HD2 ASN 38 2HD2 ASN 38 -11.819 -3.518 5.843 316 H SER 39 H SER 39 -10.489 -4.472 3.776 317 HA SER 39 HA SER 39 -8.715 -3.211 1.900 318 1HB SER 39 2HB SER 39 -11.557 -2.808 2.757 319 2HB SER 39 1HB SER 39 -10.738 -1.509 1.889 320 HG SER 39 HG SER 39 -11.543 -2.699 0.283 321 H TYR 40 H TYR 40 -7.063 -2.086 2.725 322 HA TYR 40 HA TYR 40 -7.638 -0.166 4.884 323 1HB TYR 40 2HB TYR 40 -6.082 -1.745 5.731 324 2HB TYR 40 1HB TYR 40 -5.142 -1.736 4.245 325 HD1 TYR 40 1HD TYR 40 -3.434 -0.106 3.879 326 HD2 TYR 40 2HD TYR 40 -5.966 0.184 7.286 327 HE1 TYR 40 1HE TYR 40 -1.940 1.596 4.837 328 HE2 TYR 40 2HE TYR 40 -4.479 1.889 8.252 329 HH TYR 40 HH TYR 40 -2.029 2.533 8.029 330 H THR 41 H THR 41 -7.700 1.863 4.213 331 HA THR 41 HA THR 41 -6.001 2.645 1.932 332 HB THR 41 HB THR 41 -8.181 2.906 1.136 333 HG1 THR 41 1HG THR 41 -6.744 4.988 1.441 334 1HG2 THR 41 1HG2 THR 41 -9.440 2.507 3.136 335 2HG2 THR 41 2HG2 THR 41 -9.970 4.047 2.461 336 3HG2 THR 41 3HG2 THR 41 -8.882 4.020 3.849 337 H ILE 42 H ILE 42 -4.808 4.501 2.058 338 HA ILE 42 HA ILE 42 -4.352 5.550 4.727 339 HB ILE 42 HB ILE 42 -2.953 6.187 2.125 340 1HG1 ILE 42 2HG1 ILE 42 -1.314 4.801 4.006 341 2HG1 ILE 42 1HG1 ILE 42 -2.818 3.904 3.824 342 1HG2 ILE 42 1HG2 ILE 42 -2.849 7.953 3.909 343 2HG2 ILE 42 2HG2 ILE 42 -1.291 7.306 3.398 344 3HG2 ILE 42 3HG2 ILE 42 -2.008 6.777 4.920 345 1HD1 ILE 42 1HD1 ILE 42 -1.651 2.960 2.138 346 2HD1 ILE 42 2HD1 ILE 42 -0.646 4.387 1.886 347 3HD1 ILE 42 3HD1 ILE 42 -2.291 4.344 1.254 348 H LYS 43 H LYS 43 -4.928 7.526 5.446 349 HA LYS 43 HA LYS 43 -6.132 9.394 3.514 350 1HB LYS 43 2HB LYS 43 -7.575 10.053 5.609 351 2HB LYS 43 1HB LYS 43 -8.039 8.694 4.593 352 1HG LYS 43 2HG LYS 43 -6.242 7.941 6.758 353 2HG LYS 43 1HG LYS 43 -7.761 8.645 7.317 354 1HD LYS 43 2HD LYS 43 -8.114 6.728 5.147 355 2HD LYS 43 1HD LYS 43 -7.370 6.021 6.583 356 1HE LYS 43 2HE LYS 43 -9.277 7.307 7.831 357 2HE LYS 43 1HE LYS 43 -10.062 7.265 6.252 358 1HZ LYS 43 1HZ LYS 43 -10.302 5.016 6.326 359 2HZ LYS 43 2HZ LYS 43 -10.396 5.347 7.981 360 3HZ LYS 43 3HZ LYS 43 -8.950 4.772 7.316 361 H GLY 44 H GLY 44 -3.564 9.768 3.963 362 1HA GLY 44 2HA GLY 44 -3.404 11.857 6.047 363 2HA GLY 44 1HA GLY 44 -2.032 10.904 5.499 364 H LEU 45 H LEU 45 -3.870 11.566 2.854 365 HA LEU 45 HA LEU 45 -2.204 13.890 2.163 366 1HB LEU 45 2HB LEU 45 -3.434 12.777 -0.154 367 2HB LEU 45 1HB LEU 45 -1.730 12.833 0.263 368 HG LEU 45 HG LEU 45 -2.201 10.719 1.661 369 1HD1 LEU 45 1HD1 LEU 45 -4.098 9.473 1.247 370 2HD1 LEU 45 2HD1 LEU 45 -4.461 10.331 -0.250 371 3HD1 LEU 45 3HD1 LEU 45 -4.730 11.119 1.304 372 1HD2 LEU 45 1HD2 LEU 45 -2.483 9.585 -0.875 373 2HD2 LEU 45 2HD2 LEU 45 -0.981 9.922 -0.014 374 3HD2 LEU 45 3HD2 LEU 45 -1.641 11.112 -1.135 375 H LYS 46 H LYS 46 -3.143 15.781 1.747 376 HA LYS 46 HA LYS 46 -6.079 15.837 1.539 377 1HB LYS 46 2HB LYS 46 -4.680 18.344 2.232 378 2HB LYS 46 1HB LYS 46 -6.148 17.658 2.903 379 1HG LYS 46 2HG LYS 46 -5.067 16.610 4.573 380 2HG LYS 46 1HG LYS 46 -3.650 16.252 3.585 381 1HD LYS 46 2HD LYS 46 -2.603 18.164 4.167 382 2HD LYS 46 1HD LYS 46 -4.097 19.104 4.154 383 1HE LYS 46 2HE LYS 46 -3.013 17.351 6.343 384 2HE LYS 46 1HE LYS 46 -3.360 19.079 6.397 385 1HZ LYS 46 1HZ LYS 46 -5.179 16.811 6.633 386 2HZ LYS 46 2HZ LYS 46 -5.764 18.178 5.827 387 3HZ LYS 46 3HZ LYS 46 -5.209 18.309 7.419 388 HA PRO 47 HA PRO 47 -6.206 17.664 -2.449 389 1HB PRO 47 2HB PRO 47 -7.346 20.176 -1.948 390 2HB PRO 47 1HB PRO 47 -8.214 18.678 -2.306 391 1HG PRO 47 2HG PRO 47 -7.630 19.945 0.333 392 2HG PRO 47 1HG PRO 47 -9.086 19.083 -0.208 393 1HD PRO 47 2HD PRO 47 -7.332 17.904 1.408 394 2HD PRO 47 1HD PRO 47 -8.100 16.989 0.095 395 H GLY 48 H GLY 48 -4.004 17.880 -2.811 396 1HA GLY 48 2HA GLY 48 -2.749 19.862 -3.803 397 2HA GLY 48 1HA GLY 48 -2.833 20.510 -2.172 398 H VAL 49 H VAL 49 -2.519 17.354 -1.594 399 HA VAL 49 HA VAL 49 0.423 17.451 -1.695 400 HB VAL 49 HB VAL 49 -0.566 15.675 0.356 401 1HG1 VAL 49 1HG1 VAL 49 1.108 16.770 1.676 402 2HG1 VAL 49 2HG1 VAL 49 1.188 18.117 0.541 403 3HG1 VAL 49 3HG1 VAL 49 1.749 16.516 0.050 404 1HG2 VAL 49 1HG2 VAL 49 -1.038 17.911 1.787 405 2HG2 VAL 49 2HG2 VAL 49 -2.303 16.927 1.046 406 3HG2 VAL 49 3HG2 VAL 49 -1.722 18.380 0.229 407 H VAL 50 H VAL 50 1.527 15.722 -2.346 408 HA VAL 50 HA VAL 50 0.000 13.327 -3.136 409 HB VAL 50 HB VAL 50 0.787 14.294 -5.145 410 1HG1 VAL 50 1HG1 VAL 50 3.642 14.431 -4.463 411 2HG1 VAL 50 2HG1 VAL 50 2.612 15.605 -3.649 412 3HG1 VAL 50 3HG1 VAL 50 2.644 15.531 -5.410 413 1HG2 VAL 50 1HG2 VAL 50 2.555 12.064 -4.196 414 2HG2 VAL 50 2HG2 VAL 50 2.692 12.719 -5.828 415 3HG2 VAL 50 3HG2 VAL 50 1.175 11.996 -5.293 416 H TYR 51 H TYR 51 0.686 11.380 -2.325 417 HA TYR 51 HA TYR 51 3.145 11.430 -0.696 418 1HB TYR 51 2HB TYR 51 0.495 10.099 -0.250 419 2HB TYR 51 1HB TYR 51 1.953 9.461 0.503 420 HD1 TYR 51 1HD TYR 51 0.187 12.732 0.083 421 HD2 TYR 51 2HD TYR 51 2.481 10.200 2.617 422 HE1 TYR 51 1HE TYR 51 -0.040 14.362 1.911 423 HE2 TYR 51 2HE TYR 51 2.260 11.822 4.449 424 HH TYR 51 HH TYR 51 1.842 14.328 4.649 425 H GLU 52 H GLU 52 4.719 9.999 -1.169 426 HA GLU 52 HA GLU 52 4.231 8.124 -3.339 427 1HB GLU 52 2HB GLU 52 6.278 9.562 -3.293 428 2HB GLU 52 1HB GLU 52 6.799 8.707 -1.848 429 1HG GLU 52 2HG GLU 52 6.784 6.600 -3.164 430 2HG GLU 52 1HG GLU 52 6.436 7.558 -4.603 431 H GLY 53 H GLY 53 3.875 6.011 -3.035 432 1HA GLY 53 2HA GLY 53 4.367 4.932 -0.330 433 2HA GLY 53 1HA GLY 53 3.010 4.454 -1.336 434 H GLN 54 H GLN 54 4.950 2.719 -0.123 435 HA GLN 54 HA GLN 54 6.038 1.537 -2.597 436 1HB GLN 54 2HB GLN 54 7.826 2.667 -1.281 437 2HB GLN 54 1HB GLN 54 7.473 1.588 0.061 438 1HG GLN 54 2HG GLN 54 8.391 -0.231 -0.975 439 2HG GLN 54 1HG GLN 54 8.114 0.411 -2.591 440 1HE2 GLN 54 1HE2 GLN 54 9.482 2.502 -0.225 441 2HE2 GLN 54 2HE2 GLN 54 11.100 2.485 -0.829 442 H LEU 55 H LEU 55 5.060 -0.340 -2.928 443 HA LEU 55 HA LEU 55 4.222 -1.938 -0.610 444 1HB LEU 55 2HB LEU 55 3.184 -1.570 -3.350 445 2HB LEU 55 1HB LEU 55 3.123 -3.212 -2.736 446 HG LEU 55 HG LEU 55 1.991 -0.915 -1.166 447 1HD1 LEU 55 1HD1 LEU 55 0.155 -0.773 -2.424 448 2HD1 LEU 55 2HD1 LEU 55 0.048 -2.525 -2.604 449 3HD1 LEU 55 3HD1 LEU 55 1.088 -1.589 -3.677 450 1HD2 LEU 55 1HD2 LEU 55 1.389 -3.866 -1.192 451 2HD2 LEU 55 2HD2 LEU 55 0.646 -2.659 -0.142 452 3HD2 LEU 55 3HD2 LEU 55 2.365 -3.022 0.011 453 H ILE 56 H ILE 56 5.787 -3.286 -0.026 454 HA ILE 56 HA ILE 56 7.196 -4.800 -2.123 455 HB ILE 56 HB ILE 56 8.161 -3.936 0.602 456 1HG1 ILE 56 2HG1 ILE 56 9.327 -3.410 -2.133 457 2HG1 ILE 56 1HG1 ILE 56 8.247 -2.301 -1.302 458 1HG2 ILE 56 1HG2 ILE 56 8.941 -6.216 -0.986 459 2HG2 ILE 56 2HG2 ILE 56 9.422 -5.764 0.649 460 3HG2 ILE 56 3HG2 ILE 56 10.287 -5.105 -0.739 461 1HD1 ILE 56 1HD1 ILE 56 10.796 -1.933 -1.170 462 2HD1 ILE 56 2HD1 ILE 56 10.750 -3.225 0.029 463 3HD1 ILE 56 3HD1 ILE 56 9.822 -1.749 0.289 464 H SER 57 H SER 57 6.750 -6.916 -2.183 465 HA SER 57 HA SER 57 5.244 -8.118 -0.034 466 1HB SER 57 2HB SER 57 6.311 -9.778 -2.266 467 2HB SER 57 1HB SER 57 4.718 -9.797 -1.506 468 HG SER 57 HG SER 57 5.586 -7.627 -3.091 469 H ILE 58 H ILE 58 5.982 -9.482 1.448 470 HA ILE 58 HA ILE 58 8.832 -10.177 1.425 471 HB ILE 58 HB ILE 58 7.205 -9.724 3.916 472 1HG1 ILE 58 2HG1 ILE 58 9.181 -7.701 3.510 473 2HG1 ILE 58 1HG1 ILE 58 8.168 -7.782 2.072 474 1HG2 ILE 58 1HG2 ILE 58 9.309 -11.170 3.910 475 2HG2 ILE 58 2HG2 ILE 58 9.233 -9.856 5.083 476 3HG2 ILE 58 3HG2 ILE 58 10.192 -9.671 3.614 477 1HD1 ILE 58 1HD1 ILE 58 7.615 -6.542 4.540 478 2HD1 ILE 58 2HD1 ILE 58 6.491 -7.890 4.362 479 3HD1 ILE 58 3HD1 ILE 58 6.585 -6.650 3.111 480 H GLN 59 H GLN 59 9.383 -12.247 1.665 481 HA GLN 59 HA GLN 59 7.405 -14.107 2.783 482 1HB GLN 59 2HB GLN 59 8.918 -14.381 0.232 483 2HB GLN 59 1HB GLN 59 8.663 -15.822 1.199 484 1HG GLN 59 2HG GLN 59 6.330 -14.080 0.620 485 2HG GLN 59 1HG GLN 59 6.967 -15.098 -0.671 486 1HE2 GLN 59 1HE2 GLN 59 6.593 -17.250 -0.635 487 2HE2 GLN 59 2HE2 GLN 59 5.652 -18.052 0.571 488 H GLN 60 H GLN 60 8.851 -16.356 2.976 489 HA GLN 60 HA GLN 60 10.563 -15.773 5.165 490 1HB GLN 60 2HB GLN 60 10.826 -18.439 3.916 491 2HB GLN 60 1HB GLN 60 10.545 -18.005 5.596 492 1HG GLN 60 2HG GLN 60 8.181 -17.304 4.556 493 2HG GLN 60 1HG GLN 60 8.627 -18.590 3.438 494 1HE2 GLN 60 1HE2 GLN 60 9.748 -20.480 4.804 495 2HE2 GLN 60 2HE2 GLN 60 8.756 -21.059 6.095 496 H TYR 61 H TYR 61 11.095 -15.569 1.898 497 HA TYR 61 HA TYR 61 13.935 -16.266 2.094 498 1HB TYR 61 2HB TYR 61 12.920 -15.459 -0.538 499 2HB TYR 61 1HB TYR 61 13.867 -16.869 -0.080 500 HD1 TYR 61 1HD TYR 61 11.027 -16.084 -1.687 501 HD2 TYR 61 2HD TYR 61 12.217 -18.413 1.673 502 HE1 TYR 61 1HE TYR 61 9.030 -17.491 -1.957 503 HE2 TYR 61 2HE TYR 61 10.224 -19.825 1.405 504 HH TYR 61 HH TYR 61 7.902 -19.556 0.386 505 H GLY 62 H GLY 62 12.003 -13.593 2.408 506 1HA GLY 62 2HA GLY 62 12.556 -11.364 2.630 507 2HA GLY 62 1HA GLY 62 14.229 -11.803 2.325 508 H HIS 63 H HIS 63 13.091 -9.458 1.348 509 HA HIS 63 HA HIS 63 13.030 -8.202 -0.540 510 1HB HIS 63 2HB HIS 63 15.062 -9.343 -1.214 511 2HB HIS 63 1HB HIS 63 14.131 -10.699 -1.837 512 HD2 HIS 63 2HD HIS 63 13.286 -10.465 -4.403 513 HE1 HIS 63 1HE HIS 63 14.510 -6.449 -4.940 514 HE2 HIS 63 2HE HIS 63 13.415 -8.455 -6.038 515 H GLN 64 H GLN 64 12.268 -11.313 -2.010 516 HA GLN 64 HA GLN 64 10.460 -12.091 -3.120 517 1HB GLN 64 2HB GLN 64 9.329 -10.552 -0.899 518 2HB GLN 64 1HB GLN 64 8.223 -10.951 -2.211 519 1HG GLN 64 2HG GLN 64 8.362 -12.587 -0.297 520 2HG GLN 64 1HG GLN 64 8.537 -13.248 -1.923 521 1HE2 GLN 64 1HE2 GLN 64 10.568 -13.958 -2.615 522 2HE2 GLN 64 2HE2 GLN 64 11.842 -14.303 -1.500 523 H GLU 65 H GLU 65 8.677 -9.145 -2.653 524 HA GLU 65 HA GLU 65 9.152 -8.409 -5.468 525 1HB GLU 65 2HB GLU 65 6.834 -9.514 -4.508 526 2HB GLU 65 1HB GLU 65 6.483 -7.794 -4.410 527 1HG GLU 65 2HG GLU 65 7.689 -8.306 -6.931 528 2HG GLU 65 1HG GLU 65 6.416 -9.498 -6.677 529 H VAL 66 H VAL 66 9.159 -6.240 -5.971 530 HA VAL 66 HA VAL 66 8.720 -4.341 -3.775 531 HB VAL 66 HB VAL 66 11.115 -4.312 -5.619 532 1HG1 VAL 66 1HG1 VAL 66 11.155 -2.104 -5.330 533 2HG1 VAL 66 2HG1 VAL 66 11.374 -2.373 -3.602 534 3HG1 VAL 66 3HG1 VAL 66 9.751 -2.175 -4.265 535 1HG2 VAL 66 1HG2 VAL 66 12.183 -5.407 -4.007 536 2HG2 VAL 66 2HG2 VAL 66 10.688 -5.500 -3.077 537 3HG2 VAL 66 3HG2 VAL 66 11.778 -4.131 -2.860 538 H THR 67 H THR 67 7.429 -2.734 -4.339 539 HA THR 67 HA THR 67 7.314 -1.896 -7.144 540 HB THR 67 HB THR 67 5.177 -3.223 -5.650 541 HG1 THR 67 1HG THR 67 6.148 -3.003 -8.160 542 1HG2 THR 67 1HG2 THR 67 4.459 -0.814 -5.447 543 2HG2 THR 67 2HG2 THR 67 3.337 -1.851 -6.328 544 3HG2 THR 67 3HG2 THR 67 4.402 -0.754 -7.208 545 H ARG 68 H ARG 68 7.509 0.226 -7.323 546 HA ARG 68 HA ARG 68 6.939 1.896 -4.965 547 1HB ARG 68 2HB ARG 68 8.521 3.348 -6.795 548 2HB ARG 68 1HB ARG 68 8.998 2.710 -5.228 549 1HG ARG 68 2HG ARG 68 9.870 0.739 -6.182 550 2HG ARG 68 1HG ARG 68 9.094 1.055 -7.733 551 1HD ARG 68 2HD ARG 68 11.675 1.574 -7.264 552 2HD ARG 68 1HD ARG 68 10.697 2.511 -8.392 553 HE ARG 68 HE ARG 68 10.881 3.423 -5.620 554 1HH1 ARG 68 1HH1 ARG 68 11.738 3.830 -8.973 555 2HH1 ARG 68 2HH1 ARG 68 12.264 5.468 -8.773 556 1HH2 ARG 68 1HH2 ARG 68 11.567 5.579 -5.349 557 2HH2 ARG 68 2HH2 ARG 68 12.166 6.462 -6.714 558 H PHE 69 H PHE 69 5.341 3.330 -5.100 559 HA PHE 69 HA PHE 69 4.715 4.656 -7.586 560 1HB PHE 69 2HB PHE 69 2.419 3.931 -7.758 561 2HB PHE 69 1HB PHE 69 3.472 2.522 -7.786 562 HD1 PHE 69 1HD PHE 69 0.619 3.996 -6.313 563 HD2 PHE 69 2HD PHE 69 3.822 1.307 -5.524 564 HE1 PHE 69 1HE PHE 69 -0.675 3.001 -4.473 565 HE2 PHE 69 2HE PHE 69 2.534 0.308 -3.681 566 HZ PHE 69 HZ PHE 69 0.282 1.154 -3.154 567 H ASP 70 H ASP 70 4.144 6.681 -7.204 568 HA ASP 70 HA ASP 70 3.411 7.454 -4.482 569 1HB ASP 70 2HB ASP 70 3.619 9.778 -5.991 570 2HB ASP 70 1HB ASP 70 4.872 9.101 -4.957 571 H PHE 71 H PHE 71 1.419 8.202 -3.958 572 HA PHE 71 HA PHE 71 -0.449 8.885 -6.108 573 1HB PHE 71 2HB PHE 71 -2.183 7.502 -5.251 574 2HB PHE 71 1HB PHE 71 -0.754 6.474 -5.446 575 HD1 PHE 71 1HD PHE 71 0.620 5.941 -3.387 576 HD2 PHE 71 2HD PHE 71 -3.221 7.770 -3.189 577 HE1 PHE 71 1HE PHE 71 0.446 5.310 -1.016 578 HE2 PHE 71 2HE PHE 71 -3.400 7.135 -0.816 579 HZ PHE 71 HZ PHE 71 -1.566 5.906 0.272 580 H THR 72 H THR 72 -2.429 9.837 -5.337 581 HA THR 72 HA THR 72 -2.434 10.971 -2.674 582 HB THR 72 HB THR 72 -1.521 12.913 -3.382 583 HG1 THR 72 1HG THR 72 -3.070 14.344 -4.238 584 1HG2 THR 72 1HG2 THR 72 -1.466 11.559 -5.830 585 2HG2 THR 72 2HG2 THR 72 -0.632 13.056 -5.424 586 3HG2 THR 72 3HG2 THR 72 -2.227 13.110 -6.172 587 H THR 73 H THR 73 -4.515 11.100 -1.924 588 HA THR 73 HA THR 73 -6.646 10.238 -3.698 589 HB THR 73 HB THR 73 -6.388 9.516 -1.235 590 HG1 THR 73 1HG THR 73 -8.810 10.485 -2.357 591 1HG2 THR 73 1HG2 THR 73 -7.081 10.919 0.489 592 2HG2 THR 73 2HG2 THR 73 -7.930 12.011 -0.607 593 3HG2 THR 73 3HG2 THR 73 -6.169 12.020 -0.545 594 H THR 74 H THR 74 -5.291 12.785 -4.091 595 HA THR 74 HA THR 74 -7.636 14.531 -4.051 596 HB THR 74 HB THR 74 -6.750 15.814 -2.459 597 HG1 THR 74 1HG THR 74 -5.872 17.146 -3.982 598 1HG2 THR 74 1HG2 THR 74 -5.213 13.579 -2.175 599 2HG2 THR 74 2HG2 THR 74 -5.117 14.990 -1.116 600 3HG2 THR 74 3HG2 THR 74 -3.973 14.804 -2.449 601 H SER 75 H SER 75 -4.208 14.936 -4.917 602 HA SER 75 HA SER 75 -4.647 16.479 -7.179 603 1HB SER 75 2HB SER 75 -2.447 15.673 -5.785 604 2HB SER 75 1HB SER 75 -2.257 14.759 -7.282 605 HG SER 75 HG SER 75 -1.355 16.634 -7.808 606 H THR 76 H THR 76 -3.468 13.111 -7.282 607 HA THR 76 HA THR 76 -3.637 11.510 -8.897 608 HB THR 76 HB THR 76 -5.839 10.892 -9.582 609 HG1 THR 76 1HG THR 76 -6.974 12.553 -10.292 610 1HG2 THR 76 1HG2 THR 76 -7.149 11.202 -7.414 611 2HG2 THR 76 2HG2 THR 76 -5.759 12.121 -6.838 612 3HG2 THR 76 3HG2 THR 76 -5.571 10.426 -7.286 613 H SER 77 H SER 77 -2.553 13.962 -9.789 614 HA SER 77 HA SER 77 -1.929 15.035 -11.688 615 1HB SER 77 2HB SER 77 -2.615 12.339 -12.505 616 2HB SER 77 1HB SER 77 -2.924 13.494 -13.801 617 HG SER 77 HG SER 77 -0.500 12.963 -12.454 618 H THR 78 H THR 78 -3.186 15.159 -14.219 619 HA THR 78 HA THR 78 -4.582 16.624 -15.279 620 HB THR 78 HB THR 78 -5.897 14.492 -15.085 621 HG1 THR 78 1HG THR 78 -7.842 15.547 -15.750 622 1HG2 THR 78 1HG2 THR 78 -6.742 14.085 -13.036 623 2HG2 THR 78 2HG2 THR 78 -8.042 15.172 -13.527 624 3HG2 THR 78 3HG2 THR 78 -6.688 15.789 -12.573 625 HA PRO 79 HA PRO 79 -5.818 19.376 -11.724 626 1HB PRO 79 2HB PRO 79 -3.649 20.224 -10.503 627 2HB PRO 79 1HB PRO 79 -4.209 18.576 -10.226 628 1HG PRO 79 2HG PRO 79 -1.906 19.542 -11.840 629 2HG PRO 79 1HG PRO 79 -2.097 18.023 -10.948 630 1HD PRO 79 2HD PRO 79 -2.553 18.493 -13.743 631 2HD PRO 79 1HD PRO 79 -2.782 16.982 -12.841 632 H GLY 80 H GLY 80 -5.529 19.994 -14.466 633 1HA GLY 80 2HA GLY 80 -3.983 22.466 -14.607 634 2HA GLY 80 1HA GLY 80 -4.794 21.670 -15.945 635 H SER 81 H SER 81 -4.800 24.491 -14.887 636 HA SER 81 HA SER 81 -7.647 24.909 -15.193 637 1HB SER 81 2HB SER 81 -6.642 26.453 -12.906 638 2HB SER 81 1HB SER 81 -8.172 25.598 -13.104 639 HG SER 81 HG SER 81 -5.811 24.762 -11.956 640 H ARG 82 H ARG 82 -7.079 25.969 -17.098 641 HA ARG 82 HA ARG 82 -5.500 28.432 -16.800 642 1HB ARG 82 2HB ARG 82 -4.967 26.557 -18.546 643 2HB ARG 82 1HB ARG 82 -6.287 27.281 -19.452 644 1HG ARG 82 2HG ARG 82 -4.806 29.470 -18.795 645 2HG ARG 82 1HG ARG 82 -3.562 28.236 -19.010 646 1HD ARG 82 2HD ARG 82 -3.748 28.425 -21.212 647 2HD ARG 82 1HD ARG 82 -5.444 27.957 -21.113 648 HE ARG 82 HE ARG 82 -6.008 30.294 -20.946 649 1HH1 ARG 82 1HH1 ARG 82 -2.718 29.584 -21.842 650 2HH1 ARG 82 2HH1 ARG 82 -2.442 31.137 -22.558 651 1HH2 ARG 82 1HH2 ARG 82 -5.656 32.341 -21.886 652 2HH2 ARG 82 2HH2 ARG 82 -4.112 32.704 -22.583 653 H SER 83 H SER 83 -7.536 29.273 -15.762 654 HA SER 83 HA SER 83 -8.918 30.915 -17.638 655 1HB SER 83 2HB SER 83 -10.133 28.645 -17.726 656 2HB SER 83 1HB SER 83 -10.711 29.038 -16.107 657 HG SER 83 HG SER 83 -12.095 29.688 -17.916 658 H HIS 84 H HIS 84 -8.841 32.787 -16.589 659 HA HIS 84 HA HIS 84 -9.616 32.818 -13.748 660 1HB HIS 84 2HB HIS 84 -7.174 33.793 -15.020 661 2HB HIS 84 1HB HIS 84 -7.983 35.033 -14.067 662 HD2 HIS 84 2HD HIS 84 -8.619 31.776 -12.347 663 HE1 HIS 84 1HE HIS 84 -5.031 33.295 -10.697 664 HE2 HIS 84 2HE HIS 84 -6.968 31.697 -10.349 665 H HIS 85 H HIS 85 -8.915 35.279 -16.234 666 HA HIS 85 HA HIS 85 -11.593 36.397 -15.722 667 1HB HIS 85 2HB HIS 85 -8.927 37.699 -15.859 668 2HB HIS 85 1HB HIS 85 -10.275 38.569 -16.585 669 HD2 HIS 85 2HD HIS 85 -8.558 38.780 -13.450 670 HE1 HIS 85 1HE HIS 85 -12.630 39.048 -12.330 671 HE2 HIS 85 2HE HIS 85 -10.234 39.249 -11.527 672 H HIS 86 H HIS 86 -9.010 36.901 -18.133 673 HA HIS 86 HA HIS 86 -10.691 37.506 -20.261 674 1HB HIS 86 2HB HIS 86 -7.872 36.552 -20.033 675 2HB HIS 86 1HB HIS 86 -8.628 36.549 -21.623 676 HD2 HIS 86 2HD HIS 86 -7.098 38.636 -22.565 677 HE1 HIS 86 1HE HIS 86 -8.586 41.489 -19.818 678 HE2 HIS 86 2HE HIS 86 -7.054 41.115 -21.803 679 H HIS 87 H HIS 87 -11.702 36.354 -21.835 680 HA HIS 87 HA HIS 87 -11.713 33.424 -21.521 681 1HB HIS 87 2HB HIS 87 -13.858 35.282 -21.457 682 2HB HIS 87 1HB HIS 87 -14.024 34.345 -22.939 683 HD2 HIS 87 2HD HIS 87 -15.184 31.949 -22.622 684 HE1 HIS 87 1HE HIS 87 -14.764 31.707 -18.418 685 HE2 HIS 87 2HE HIS 87 -15.588 30.515 -20.500 686 H HIS 88 H HIS 88 -11.382 36.103 -23.692 687 HA HIS 88 HA HIS 88 -11.293 34.323 -26.018 688 1HB HIS 88 2HB HIS 88 -12.421 36.791 -25.737 689 2HB HIS 88 1HB HIS 88 -10.858 37.206 -26.432 690 HD2 HIS 88 2HD HIS 88 -14.012 37.087 -27.896 691 HE1 HIS 88 1HE HIS 88 -11.826 34.544 -30.477 692 HE2 HIS 88 2HE HIS 88 -14.017 35.775 -30.134 693 H HIS 89 H HIS 89 -9.302 33.324 -25.606 694 HA HIS 89 HA HIS 89 -6.947 35.085 -25.745 695 1HB HIS 89 2HB HIS 89 -5.755 32.928 -24.939 696 2HB HIS 89 1HB HIS 89 -6.707 33.849 -23.778 697 HD2 HIS 89 2HD HIS 89 -7.602 31.862 -22.184 698 HE1 HIS 89 1HE HIS 89 -9.270 29.474 -25.253 699 HE2 HIS 89 2HE HIS 89 -9.163 29.870 -22.752 Start of MODEL 20 1 1H MET 1 1HT MET 1 13.665 -11.203 -11.346 2 2H MET 1 2HT MET 1 13.519 -11.657 -12.969 3 3H MET 1 3HT MET 1 12.869 -10.187 -12.442 4 HA MET 1 HA MET 1 15.619 -10.894 -13.072 5 1HB MET 1 2HB MET 1 14.155 -8.252 -13.136 6 2HB MET 1 1HB MET 1 15.624 -8.678 -14.002 7 1HG MET 1 2HG MET 1 14.512 -9.849 -15.604 8 2HG MET 1 1HG MET 1 13.192 -10.289 -14.524 9 1HE MET 1 1HE MET 1 11.467 -7.823 -13.601 10 2HE MET 1 2HE MET 1 11.156 -9.377 -14.374 11 3HE MET 1 3HE MET 1 10.521 -7.895 -15.087 12 H ARG 2 H ARG 2 13.846 -9.751 -10.386 13 HA ARG 2 HA ARG 2 16.324 -9.188 -8.969 14 1HB ARG 2 2HB ARG 2 15.195 -7.044 -10.022 15 2HB ARG 2 1HB ARG 2 14.133 -7.186 -8.627 16 1HG ARG 2 2HG ARG 2 15.648 -6.016 -7.506 17 2HG ARG 2 1HG ARG 2 16.667 -7.455 -7.556 18 1HD ARG 2 2HD ARG 2 17.897 -5.517 -8.354 19 2HD ARG 2 1HD ARG 2 17.653 -6.676 -9.661 20 HE ARG 2 HE ARG 2 15.563 -4.832 -9.751 21 1HH1 ARG 2 1HH1 ARG 2 19.020 -4.905 -10.197 22 2HH1 ARG 2 2HH1 ARG 2 19.029 -3.592 -11.326 23 1HH2 ARG 2 1HH2 ARG 2 15.569 -3.106 -11.234 24 2HH2 ARG 2 2HH2 ARG 2 17.068 -2.568 -11.915 25 H GLY 3 H GLY 3 13.150 -10.346 -9.081 26 1HA GLY 3 2HA GLY 3 13.329 -11.521 -6.509 27 2HA GLY 3 1HA GLY 3 12.268 -10.123 -6.449 28 H SER 4 H SER 4 11.937 -11.202 -9.498 29 HA SER 4 HA SER 4 9.387 -12.394 -8.951 30 1HB SER 4 2HB SER 4 9.514 -12.771 -11.543 31 2HB SER 4 1HB SER 4 9.336 -11.137 -10.904 32 HG SER 4 HG SER 4 11.675 -12.393 -11.881 33 H ASN 5 H ASN 5 10.136 -14.212 -7.679 34 HA ASN 5 HA ASN 5 10.631 -16.534 -9.363 35 1HB ASN 5 2HB ASN 5 12.883 -15.851 -8.698 36 2HB ASN 5 1HB ASN 5 12.396 -15.836 -7.005 37 1HD2 ASN 5 1HD2 ASN 5 12.919 -17.880 -9.806 38 2HD2 ASN 5 2HD2 ASN 5 13.172 -19.344 -8.926 39 H ALA 6 H ALA 6 10.122 -18.547 -8.326 40 HA ALA 6 HA ALA 6 8.765 -19.895 -7.099 41 1HB ALA 6 1HB ALA 6 10.110 -18.155 -5.178 42 2HB ALA 6 2HB ALA 6 9.886 -19.904 -5.162 43 3HB ALA 6 3HB ALA 6 8.603 -18.846 -4.576 44 HA PRO 7 HA PRO 7 5.195 -16.963 -7.823 45 1HB PRO 7 2HB PRO 7 4.133 -19.464 -9.011 46 2HB PRO 7 1HB PRO 7 4.123 -17.820 -9.655 47 1HG PRO 7 2HG PRO 7 5.767 -19.672 -10.650 48 2HG PRO 7 1HG PRO 7 6.282 -17.985 -10.477 49 1HD PRO 7 2HD PRO 7 6.943 -20.354 -8.775 50 2HD PRO 7 1HD PRO 7 7.979 -19.002 -9.278 51 H GLN 8 H GLN 8 4.027 -16.709 -6.032 52 HA GLN 8 HA GLN 8 3.279 -19.007 -4.414 53 1HB GLN 8 2HB GLN 8 3.079 -16.026 -4.001 54 2HB GLN 8 1HB GLN 8 2.350 -17.177 -2.891 55 1HG GLN 8 2HG GLN 8 5.198 -17.597 -3.539 56 2HG GLN 8 1HG GLN 8 4.805 -16.174 -2.576 57 1HE2 GLN 8 1HE2 GLN 8 6.154 -17.400 -1.014 58 2HE2 GLN 8 2HE2 GLN 8 5.360 -18.533 0.020 59 HA PRO 9 HA PRO 9 -0.949 -19.675 -5.491 60 1HB PRO 9 2HB PRO 9 -1.618 -18.523 -2.797 61 2HB PRO 9 1HB PRO 9 -2.241 -19.986 -3.580 62 1HG PRO 9 2HG PRO 9 -0.370 -20.160 -1.698 63 2HG PRO 9 1HG PRO 9 -0.320 -21.209 -3.126 64 1HD PRO 9 2HD PRO 9 1.379 -18.877 -2.432 65 2HD PRO 9 1HD PRO 9 1.762 -20.304 -3.415 66 H SER 10 H SER 10 -1.320 -16.962 -3.273 67 HA SER 10 HA SER 10 -1.619 -14.954 -5.252 68 1HB SER 10 2HB SER 10 -3.992 -14.575 -5.157 69 2HB SER 10 1HB SER 10 -3.751 -16.271 -5.574 70 HG SER 10 HG SER 10 -4.891 -16.719 -3.881 71 H HIS 11 H HIS 11 -0.843 -15.948 -2.359 72 HA HIS 11 HA HIS 11 -1.266 -13.321 -1.128 73 1HB HIS 11 2HB HIS 11 -1.723 -14.367 1.033 74 2HB HIS 11 1HB HIS 11 -2.901 -14.887 -0.168 75 HD2 HIS 11 2HD HIS 11 -0.297 -16.353 2.227 76 HE1 HIS 11 1HE HIS 11 -1.808 -19.502 -0.162 77 HE2 HIS 11 2HE HIS 11 -0.271 -18.905 1.764 78 H ILE 12 H ILE 12 0.497 -12.467 -0.235 79 HA ILE 12 HA ILE 12 2.969 -14.029 -0.280 80 HB ILE 12 HB ILE 12 3.097 -11.896 -1.393 81 1HG1 ILE 12 2HG1 ILE 12 4.631 -10.756 0.644 82 2HG1 ILE 12 1HG1 ILE 12 4.676 -12.486 0.977 83 1HG2 ILE 12 1HG2 ILE 12 2.610 -10.313 1.060 84 2HG2 ILE 12 2HG2 ILE 12 1.206 -11.019 0.259 85 3HG2 ILE 12 3HG2 ILE 12 2.270 -9.927 -0.628 86 1HD1 ILE 12 1HD1 ILE 12 5.921 -12.940 -0.835 87 2HD1 ILE 12 2HD1 ILE 12 6.376 -11.243 -0.676 88 3HD1 ILE 12 3HD1 ILE 12 5.124 -11.716 -1.824 89 H SER 13 H SER 13 4.422 -14.023 1.546 90 HA SER 13 HA SER 13 3.346 -14.677 3.979 91 1HB SER 13 2HB SER 13 6.024 -13.739 3.092 92 2HB SER 13 1HB SER 13 5.698 -13.666 4.823 93 HG SER 13 HG SER 13 5.166 -15.891 4.732 94 H LYS 14 H LYS 14 4.306 -11.497 2.790 95 HA LYS 14 HA LYS 14 2.367 -10.144 4.310 96 1HB LYS 14 2HB LYS 14 3.675 -9.009 5.962 97 2HB LYS 14 1HB LYS 14 3.960 -10.734 6.146 98 1HG LYS 14 2HG LYS 14 6.075 -10.499 4.919 99 2HG LYS 14 1HG LYS 14 5.792 -8.762 4.795 100 1HD LYS 14 2HD LYS 14 5.738 -8.646 7.275 101 2HD LYS 14 1HD LYS 14 6.161 -10.359 7.327 102 1HE LYS 14 2HE LYS 14 8.079 -9.384 5.669 103 2HE LYS 14 1HE LYS 14 7.829 -8.012 6.747 104 1HZ LYS 14 1HZ LYS 14 9.326 -9.130 7.985 105 2HZ LYS 14 2HZ LYS 14 8.949 -10.637 7.314 106 3HZ LYS 14 3HZ LYS 14 7.960 -9.977 8.518 107 H TYR 15 H TYR 15 2.127 -8.048 3.681 108 HA TYR 15 HA TYR 15 3.845 -7.100 1.500 109 1HB TYR 15 2HB TYR 15 1.000 -7.059 1.995 110 2HB TYR 15 1HB TYR 15 1.589 -5.412 1.827 111 HD1 TYR 15 1HD TYR 15 2.975 -4.880 -0.292 112 HD2 TYR 15 2HD TYR 15 0.532 -8.346 0.118 113 HE1 TYR 15 1HE TYR 15 2.904 -5.116 -2.740 114 HE2 TYR 15 2HE TYR 15 0.458 -8.587 -2.328 115 HH TYR 15 HH TYR 15 0.800 -7.407 -4.307 116 H ILE 16 H ILE 16 4.706 -4.973 1.590 117 HA ILE 16 HA ILE 16 4.625 -3.782 4.280 118 HB ILE 16 HB ILE 16 6.904 -4.462 2.688 119 1HG1 ILE 16 2HG1 ILE 16 6.741 -4.783 5.096 120 2HG1 ILE 16 1HG1 ILE 16 8.101 -3.724 4.737 121 1HG2 ILE 16 1HG2 ILE 16 8.059 -2.448 2.368 122 2HG2 ILE 16 2HG2 ILE 16 6.988 -1.551 3.443 123 3HG2 ILE 16 3HG2 ILE 16 6.420 -2.039 1.847 124 1HD1 ILE 16 1HD1 ILE 16 5.575 -3.157 6.155 125 2HD1 ILE 16 2HD1 ILE 16 6.218 -1.872 5.132 126 3HD1 ILE 16 3HD1 ILE 16 7.203 -2.538 6.436 127 H LEU 17 H LEU 17 4.527 -1.583 4.490 128 HA LEU 17 HA LEU 17 3.965 -0.125 2.016 129 1HB LEU 17 2HB LEU 17 2.101 -0.685 3.989 130 2HB LEU 17 1HB LEU 17 2.613 0.954 4.351 131 HG LEU 17 HG LEU 17 2.208 1.145 1.673 132 1HD1 LEU 17 1HD1 LEU 17 -0.152 -0.464 2.521 133 2HD1 LEU 17 2HD1 LEU 17 1.295 -1.301 1.954 134 3HD1 LEU 17 3HD1 LEU 17 0.476 -0.143 0.904 135 1HD2 LEU 17 1HD2 LEU 17 -0.166 1.937 2.453 136 2HD2 LEU 17 2HD2 LEU 17 1.283 2.807 2.958 137 3HD2 LEU 17 3HD2 LEU 17 0.504 1.674 4.062 138 H ARG 18 H ARG 18 5.628 1.131 1.769 139 HA ARG 18 HA ARG 18 6.632 2.639 4.082 140 1HB ARG 18 2HB ARG 18 8.079 1.466 1.712 141 2HB ARG 18 1HB ARG 18 8.742 2.848 2.573 142 1HG ARG 18 2HG ARG 18 9.353 1.617 4.356 143 2HG ARG 18 1HG ARG 18 7.941 0.564 4.249 144 1HD ARG 18 2HD ARG 18 8.938 -0.836 2.704 145 2HD ARG 18 1HD ARG 18 10.073 0.402 2.164 146 HE ARG 18 HE ARG 18 10.485 -1.486 4.240 147 1HH1 ARG 18 1HH1 ARG 18 11.164 1.812 3.339 148 2HH1 ARG 18 2HH1 ARG 18 12.609 1.908 4.287 149 1HH2 ARG 18 1HH2 ARG 18 12.386 -1.365 5.494 150 2HH2 ARG 18 2HH2 ARG 18 13.305 0.103 5.512 151 H TRP 19 H TRP 19 6.249 4.802 3.877 152 HA TRP 19 HA TRP 19 6.143 5.880 1.192 153 1HB TRP 19 2HB TRP 19 3.903 6.143 0.963 154 2HB TRP 19 1HB TRP 19 3.878 4.751 2.033 155 HD1 TRP 19 HD TRP 19 3.591 8.602 2.263 156 HE1 TRP 19 1HE TRP 19 2.019 9.154 4.238 157 HE3 TRP 19 3HE TRP 19 2.784 3.869 4.005 158 HZ2 TRP 19 2HZ TRP 19 0.621 7.750 6.260 159 HZ3 TRP 19 3HZ TRP 19 1.317 3.555 5.955 160 HH2 TRP 19 HH TRP 19 0.259 5.458 7.058 161 H ARG 20 H ARG 20 5.855 8.069 0.993 162 HA ARG 20 HA ARG 20 5.790 9.823 3.236 163 1HB ARG 20 2HB ARG 20 7.958 10.669 3.227 164 2HB ARG 20 1HB ARG 20 8.263 8.957 2.976 165 1HG ARG 20 2HG ARG 20 7.935 10.662 0.574 166 2HG ARG 20 1HG ARG 20 9.420 10.829 1.514 167 1HD ARG 20 2HD ARG 20 9.094 8.104 1.331 168 2HD ARG 20 1HD ARG 20 8.543 8.676 -0.241 169 HE ARG 20 HE ARG 20 10.716 9.046 -0.765 170 1HH1 ARG 20 1HH1 ARG 20 10.425 9.186 2.704 171 2HH1 ARG 20 2HH1 ARG 20 12.119 9.434 2.962 172 1HH2 ARG 20 1HH2 ARG 20 12.943 9.375 -0.434 173 2HH2 ARG 20 2HH2 ARG 20 13.550 9.541 1.180 174 HA PRO 21 HA PRO 21 3.840 12.181 0.128 175 1HB PRO 21 2HB PRO 21 5.496 14.515 0.955 176 2HB PRO 21 1HB PRO 21 3.744 14.375 0.787 177 1HG PRO 21 2HG PRO 21 4.886 14.360 3.161 178 2HG PRO 21 1HG PRO 21 3.494 13.338 2.830 179 1HD PRO 21 2HD PRO 21 6.374 12.629 3.095 180 2HD PRO 21 1HD PRO 21 4.926 11.702 3.539 181 H LYS 22 H LYS 22 4.429 11.528 -1.730 182 HA LYS 22 HA LYS 22 6.514 10.980 -3.119 183 1HB LYS 22 2HB LYS 22 4.370 11.014 -4.094 184 2HB LYS 22 1HB LYS 22 4.299 12.777 -4.060 185 1HG LYS 22 2HG LYS 22 6.621 11.952 -5.515 186 2HG LYS 22 1HG LYS 22 5.200 11.120 -6.149 187 1HD LYS 22 2HD LYS 22 4.488 13.822 -5.670 188 2HD LYS 22 1HD LYS 22 6.014 13.815 -6.559 189 1HE LYS 22 2HE LYS 22 4.542 11.886 -7.850 190 2HE LYS 22 1HE LYS 22 3.324 13.093 -7.438 191 1HZ LYS 22 1HZ LYS 22 4.113 13.786 -9.484 192 2HZ LYS 22 2HZ LYS 22 5.719 13.390 -9.133 193 3HZ LYS 22 3HZ LYS 22 5.006 14.743 -8.413 194 H ASN 23 H ASN 23 5.597 14.440 -2.841 195 HA ASN 23 HA ASN 23 8.275 15.141 -3.816 196 1HB ASN 23 2HB ASN 23 6.969 17.529 -3.554 197 2HB ASN 23 1HB ASN 23 7.039 16.576 -5.033 198 1HD2 ASN 23 1HD2 ASN 23 5.130 16.746 -5.951 199 2HD2 ASN 23 2HD2 ASN 23 3.607 16.498 -5.175 200 H SER 24 H SER 24 6.052 15.799 -1.137 201 HA SER 24 HA SER 24 8.058 17.309 0.299 202 1HB SER 24 2HB SER 24 5.176 16.739 0.610 203 2HB SER 24 1HB SER 24 6.075 16.932 2.116 204 HG SER 24 HG SER 24 5.220 18.915 1.242 205 H VAL 25 H VAL 25 9.505 15.312 0.150 206 HA VAL 25 HA VAL 25 9.081 12.982 1.592 207 HB VAL 25 HB VAL 25 10.990 13.176 0.144 208 1HG1 VAL 25 1HG1 VAL 25 12.762 14.758 1.758 209 2HG1 VAL 25 2HG1 VAL 25 11.320 15.684 1.344 210 3HG1 VAL 25 3HG1 VAL 25 12.302 14.965 0.068 211 1HG2 VAL 25 1HG2 VAL 25 11.880 11.597 1.428 212 2HG2 VAL 25 2HG2 VAL 25 11.203 12.324 2.884 213 3HG2 VAL 25 3HG2 VAL 25 12.769 12.861 2.276 214 H GLY 26 H GLY 26 8.806 12.571 3.688 215 1HA GLY 26 2HA GLY 26 10.189 14.149 5.698 216 2HA GLY 26 1HA GLY 26 8.438 14.289 5.710 217 H ARG 27 H ARG 27 11.082 11.946 5.885 218 HA ARG 27 HA ARG 27 11.352 10.037 7.079 219 1HB ARG 27 2HB ARG 27 8.969 11.062 8.630 220 2HB ARG 27 1HB ARG 27 9.992 9.717 9.120 221 1HG ARG 27 2HG ARG 27 11.777 11.780 8.662 222 2HG ARG 27 1HG ARG 27 10.395 12.563 9.432 223 1HD ARG 27 2HD ARG 27 10.565 11.240 11.349 224 2HD ARG 27 1HD ARG 27 11.555 10.029 10.535 225 HE ARG 27 HE ARG 27 12.497 12.699 11.350 226 1HH1 ARG 27 1HH1 ARG 27 13.073 9.351 10.579 227 2HH1 ARG 27 2HH1 ARG 27 14.750 9.405 11.010 228 1HH2 ARG 27 1HH2 ARG 27 14.704 12.780 11.925 229 2HH2 ARG 27 2HH2 ARG 27 15.675 11.353 11.776 230 H TRP 28 H TRP 28 10.952 8.063 6.402 231 HA TRP 28 HA TRP 28 8.782 7.389 4.745 232 1HB TRP 28 2HB TRP 28 10.930 5.839 6.150 233 2HB TRP 28 1HB TRP 28 9.616 4.973 5.366 234 HD1 TRP 28 HD TRP 28 12.949 6.355 4.677 235 HE1 TRP 28 1HE TRP 28 13.423 6.375 2.148 236 HE3 TRP 28 3HE TRP 28 8.208 5.519 2.955 237 HZ2 TRP 28 2HZ TRP 28 11.979 6.075 -0.260 238 HZ3 TRP 28 3HZ TRP 28 7.836 5.406 0.525 239 HH2 TRP 28 HH TRP 28 9.686 5.674 -1.047 240 H LYS 29 H LYS 29 7.295 5.502 5.193 241 HA LYS 29 HA LYS 29 6.368 5.462 7.990 242 1HB LYS 29 2HB LYS 29 4.640 5.577 5.507 243 2HB LYS 29 1HB LYS 29 4.040 5.342 7.142 244 1HG LYS 29 2HG LYS 29 5.717 7.728 6.640 245 2HG LYS 29 1HG LYS 29 4.085 7.717 5.969 246 1HD LYS 29 2HD LYS 29 3.493 8.506 7.990 247 2HD LYS 29 1HD LYS 29 3.627 6.819 8.491 248 1HE LYS 29 2HE LYS 29 5.218 7.391 9.929 249 2HE LYS 29 1HE LYS 29 6.225 7.922 8.582 250 1HZ LYS 29 1HZ LYS 29 5.229 10.107 8.727 251 2HZ LYS 29 2HZ LYS 29 5.893 9.676 10.223 252 3HZ LYS 29 3HZ LYS 29 4.219 9.603 9.989 253 H GLU 30 H GLU 30 5.349 3.429 8.629 254 HA GLU 30 HA GLU 30 5.917 1.234 6.746 255 1HB GLU 30 2HB GLU 30 6.256 0.746 9.660 256 2HB GLU 30 1HB GLU 30 7.069 -0.001 8.291 257 1HG GLU 30 2HG GLU 30 7.667 2.833 8.560 258 2HG GLU 30 1HG GLU 30 8.129 1.885 9.972 259 H ALA 31 H ALA 31 4.293 -0.040 6.340 260 HA ALA 31 HA ALA 31 2.320 -0.671 8.396 261 1HB ALA 31 1HB ALA 31 1.777 0.962 6.033 262 2HB ALA 31 2HB ALA 31 0.822 0.737 7.499 263 3HB ALA 31 3HB ALA 31 0.708 -0.435 6.185 264 H THR 32 H THR 32 2.473 -2.851 8.508 265 HA THR 32 HA THR 32 2.993 -4.330 6.026 266 HB THR 32 HB THR 32 3.016 -5.695 8.680 267 HG1 THR 32 1HG THR 32 5.248 -5.005 8.877 268 1HG2 THR 32 1HG2 THR 32 3.542 -6.528 6.148 269 2HG2 THR 32 2HG2 THR 32 4.220 -7.272 7.596 270 3HG2 THR 32 3HG2 THR 32 5.159 -6.082 6.695 271 H ILE 33 H ILE 33 1.508 -5.520 5.089 272 HA ILE 33 HA ILE 33 -0.772 -6.530 6.629 273 HB ILE 33 HB ILE 33 -1.864 -5.921 4.154 274 1HG1 ILE 33 2HG1 ILE 33 0.316 -4.340 4.215 275 2HG1 ILE 33 1HG1 ILE 33 -1.178 -3.887 3.417 276 1HG2 ILE 33 1HG2 ILE 33 -2.977 -5.853 6.330 277 2HG2 ILE 33 2HG2 ILE 33 -3.263 -4.380 5.400 278 3HG2 ILE 33 3HG2 ILE 33 -2.100 -4.374 6.725 279 1HD1 ILE 33 1HD1 ILE 33 -0.047 -2.170 4.907 280 2HD1 ILE 33 2HD1 ILE 33 -0.618 -3.145 6.261 281 3HD1 ILE 33 3HD1 ILE 33 -1.775 -2.430 5.139 282 HA PRO 34 HA PRO 34 0.840 -9.972 4.152 283 1HB PRO 34 2HB PRO 34 -0.355 -11.948 5.548 284 2HB PRO 34 1HB PRO 34 1.102 -11.127 6.120 285 1HG PRO 34 2HG PRO 34 -1.754 -10.662 6.897 286 2HG PRO 34 1HG PRO 34 -0.318 -10.768 7.932 287 1HD PRO 34 2HD PRO 34 -1.415 -8.401 7.192 288 2HD PRO 34 1HD PRO 34 0.325 -8.601 7.475 289 H GLY 35 H GLY 35 -0.096 -10.065 2.205 290 1HA GLY 35 2HA GLY 35 -1.592 -10.619 0.559 291 2HA GLY 35 1HA GLY 35 -2.372 -11.648 1.748 292 H HIS 36 H HIS 36 -2.210 -8.427 2.763 293 HA HIS 36 HA HIS 36 -3.819 -6.861 3.137 294 1HB HIS 36 2HB HIS 36 -3.937 -7.516 0.285 295 2HB HIS 36 1HB HIS 36 -5.436 -6.831 0.904 296 HD2 HIS 36 2HD HIS 36 -4.144 -4.597 2.913 297 HE1 HIS 36 1HE HIS 36 -2.230 -3.246 -0.610 298 HE2 HIS 36 2HE HIS 36 -3.057 -2.584 1.693 299 H LEU 37 H LEU 37 -4.813 -8.081 4.800 300 HA LEU 37 HA LEU 37 -6.883 -9.949 4.334 301 1HB LEU 37 2HB LEU 37 -7.462 -9.007 6.829 302 2HB LEU 37 1HB LEU 37 -6.348 -10.307 6.474 303 HG LEU 37 HG LEU 37 -5.526 -8.591 8.108 304 1HD1 LEU 37 1HD1 LEU 37 -3.606 -9.521 7.531 305 2HD1 LEU 37 2HD1 LEU 37 -3.399 -8.238 6.339 306 3HD1 LEU 37 3HD1 LEU 37 -4.157 -9.761 5.873 307 1HD2 LEU 37 1HD2 LEU 37 -5.988 -6.473 7.526 308 2HD2 LEU 37 2HD2 LEU 37 -6.026 -6.841 5.802 309 3HD2 LEU 37 3HD2 LEU 37 -4.482 -6.592 6.617 310 H ASN 38 H ASN 38 -6.797 -6.550 4.182 311 HA ASN 38 HA ASN 38 -9.566 -6.444 3.439 312 1HB ASN 38 2HB ASN 38 -9.860 -4.476 5.192 313 2HB ASN 38 1HB ASN 38 -10.202 -6.148 5.627 314 1HD2 ASN 38 1HD2 ASN 38 -7.507 -3.844 5.552 315 2HD2 ASN 38 2HD2 ASN 38 -6.808 -4.353 7.048 316 H SER 39 H SER 39 -10.141 -3.905 3.261 317 HA SER 39 HA SER 39 -8.235 -2.896 1.364 318 1HB SER 39 2HB SER 39 -11.001 -2.559 1.856 319 2HB SER 39 1HB SER 39 -10.262 -0.965 2.004 320 HG SER 39 HG SER 39 -10.592 -1.117 -0.117 321 H TYR 40 H TYR 40 -6.414 -2.027 2.137 322 HA TYR 40 HA TYR 40 -6.548 -0.292 4.495 323 1HB TYR 40 2HB TYR 40 -4.866 -2.218 4.277 324 2HB TYR 40 1HB TYR 40 -4.027 -1.196 3.114 325 HD1 TYR 40 1HD TYR 40 -4.696 -1.822 6.613 326 HD2 TYR 40 2HD TYR 40 -3.068 0.983 3.860 327 HE1 TYR 40 1HE TYR 40 -3.536 -0.690 8.462 328 HE2 TYR 40 2HE TYR 40 -1.901 2.122 5.702 329 HH TYR 40 HH TYR 40 -1.051 1.293 8.134 330 H THR 41 H THR 41 -7.045 1.739 3.955 331 HA THR 41 HA THR 41 -5.531 2.985 1.754 332 HB THR 41 HB THR 41 -7.393 4.413 1.250 333 HG1 THR 41 1HG THR 41 -9.270 3.254 2.860 334 1HG2 THR 41 1HG2 THR 41 -8.710 1.742 1.577 335 2HG2 THR 41 2HG2 THR 41 -7.348 1.936 0.473 336 3HG2 THR 41 3HG2 THR 41 -8.817 2.882 0.236 337 H ILE 42 H ILE 42 -4.760 5.067 2.064 338 HA ILE 42 HA ILE 42 -4.570 5.901 4.861 339 HB ILE 42 HB ILE 42 -2.975 6.702 2.424 340 1HG1 ILE 42 2HG1 ILE 42 -1.330 5.713 4.473 341 2HG1 ILE 42 1HG1 ILE 42 -2.721 4.635 4.430 342 1HG2 ILE 42 1HG2 ILE 42 -3.014 8.659 3.695 343 2HG2 ILE 42 2HG2 ILE 42 -1.522 7.857 4.190 344 3HG2 ILE 42 3HG2 ILE 42 -2.950 7.778 5.223 345 1HD1 ILE 42 1HD1 ILE 42 -0.478 4.585 2.780 346 2HD1 ILE 42 2HD1 ILE 42 -1.795 5.181 1.769 347 3HD1 ILE 42 3HD1 ILE 42 -1.958 3.639 2.611 348 H LYS 43 H LYS 43 -5.435 7.759 5.600 349 HA LYS 43 HA LYS 43 -6.944 9.370 3.662 350 1HB LYS 43 2HB LYS 43 -7.396 9.233 6.637 351 2HB LYS 43 1HB LYS 43 -8.466 9.914 5.419 352 1HG LYS 43 2HG LYS 43 -7.740 7.052 5.169 353 2HG LYS 43 1HG LYS 43 -8.856 7.514 6.455 354 1HD LYS 43 2HD LYS 43 -10.046 8.831 4.526 355 2HD LYS 43 1HD LYS 43 -9.185 7.688 3.494 356 1HE LYS 43 2HE LYS 43 -10.756 6.172 3.898 357 2HE LYS 43 1HE LYS 43 -10.322 6.203 5.606 358 1HZ LYS 43 1HZ LYS 43 -12.331 7.933 4.269 359 2HZ LYS 43 2HZ LYS 43 -11.869 8.072 5.891 360 3HZ LYS 43 3HZ LYS 43 -12.649 6.671 5.351 361 H GLY 44 H GLY 44 -4.138 9.492 5.438 362 1HA GLY 44 2HA GLY 44 -4.079 12.022 6.595 363 2HA GLY 44 1HA GLY 44 -2.681 11.224 5.881 364 H LEU 45 H LEU 45 -2.823 11.216 3.379 365 HA LEU 45 HA LEU 45 -2.240 13.598 2.299 366 1HB LEU 45 2HB LEU 45 -3.561 12.512 0.167 367 2HB LEU 45 1HB LEU 45 -1.936 12.087 0.668 368 HG LEU 45 HG LEU 45 -4.005 10.563 2.063 369 1HD1 LEU 45 1HD1 LEU 45 -4.889 10.919 -0.327 370 2HD1 LEU 45 2HD1 LEU 45 -4.832 9.284 0.333 371 3HD1 LEU 45 3HD1 LEU 45 -3.589 9.822 -0.796 372 1HD2 LEU 45 1HD2 LEU 45 -1.391 10.044 0.711 373 2HD2 LEU 45 2HD2 LEU 45 -2.451 8.706 1.153 374 3HD2 LEU 45 3HD2 LEU 45 -1.848 9.801 2.398 375 H LYS 46 H LYS 46 -3.269 15.475 2.501 376 HA LYS 46 HA LYS 46 -6.183 15.516 2.211 377 1HB LYS 46 2HB LYS 46 -6.054 17.777 3.236 378 2HB LYS 46 1HB LYS 46 -5.399 16.520 4.276 379 1HG LYS 46 2HG LYS 46 -3.512 17.655 4.450 380 2HG LYS 46 1HG LYS 46 -3.268 17.518 2.707 381 1HD LYS 46 2HD LYS 46 -3.764 19.669 2.390 382 2HD LYS 46 1HD LYS 46 -5.242 19.535 3.345 383 1HE LYS 46 2HE LYS 46 -4.242 20.274 5.245 384 2HE LYS 46 1HE LYS 46 -2.686 19.551 4.836 385 1HZ LYS 46 1HZ LYS 46 -2.441 21.337 3.141 386 2HZ LYS 46 2HZ LYS 46 -2.448 21.896 4.736 387 3HZ LYS 46 3HZ LYS 46 -3.827 22.074 3.773 388 HA PRO 47 HA PRO 47 -6.515 17.432 -1.700 389 1HB PRO 47 2HB PRO 47 -7.598 19.939 -0.892 390 2HB PRO 47 1HB PRO 47 -8.462 18.522 -1.496 391 1HG PRO 47 2HG PRO 47 -8.006 19.405 1.301 392 2HG PRO 47 1HG PRO 47 -9.368 18.504 0.608 393 1HD PRO 47 2HD PRO 47 -7.546 17.287 2.139 394 2HD PRO 47 1HD PRO 47 -8.230 16.472 0.714 395 H GLY 48 H GLY 48 -4.507 17.799 -2.451 396 1HA GLY 48 2HA GLY 48 -3.295 19.772 -3.367 397 2HA GLY 48 1HA GLY 48 -3.238 20.360 -1.715 398 H VAL 49 H VAL 49 -2.782 17.266 -1.118 399 HA VAL 49 HA VAL 49 0.119 17.387 -1.627 400 HB VAL 49 HB VAL 49 -0.513 17.725 0.767 401 1HG1 VAL 49 1HG1 VAL 49 -1.653 14.996 0.353 402 2HG1 VAL 49 2HG1 VAL 49 -2.337 16.381 1.205 403 3HG1 VAL 49 3HG1 VAL 49 -1.022 15.461 1.933 404 1HG2 VAL 49 1HG2 VAL 49 1.083 15.842 1.563 405 2HG2 VAL 49 2HG2 VAL 49 1.694 17.070 0.456 406 3HG2 VAL 49 3HG2 VAL 49 1.240 15.478 -0.156 407 H VAL 50 H VAL 50 1.186 15.621 -2.312 408 HA VAL 50 HA VAL 50 -0.416 13.208 -2.862 409 HB VAL 50 HB VAL 50 0.272 14.031 -4.961 410 1HG1 VAL 50 1HG1 VAL 50 2.469 14.836 -5.494 411 2HG1 VAL 50 2HG1 VAL 50 3.072 14.372 -3.903 412 3HG1 VAL 50 3HG1 VAL 50 1.893 15.675 -4.054 413 1HG2 VAL 50 1HG2 VAL 50 1.042 12.074 -5.688 414 2HG2 VAL 50 2HG2 VAL 50 1.278 11.608 -4.004 415 3HG2 VAL 50 3HG2 VAL 50 2.604 12.335 -4.911 416 H TYR 51 H TYR 51 0.185 11.365 -1.868 417 HA TYR 51 HA TYR 51 2.735 11.370 -0.394 418 1HB TYR 51 2HB TYR 51 0.074 10.109 0.103 419 2HB TYR 51 1HB TYR 51 1.512 9.310 0.721 420 HD1 TYR 51 1HD TYR 51 -0.589 12.300 0.943 421 HD2 TYR 51 2HD TYR 51 2.731 10.223 2.584 422 HE1 TYR 51 1HE TYR 51 -0.680 13.739 2.928 423 HE2 TYR 51 2HE TYR 51 2.662 11.665 4.574 424 HH TYR 51 HH TYR 51 1.190 13.096 5.760 425 H GLU 52 H GLU 52 4.317 10.138 -1.193 426 HA GLU 52 HA GLU 52 3.727 8.174 -3.230 427 1HB GLU 52 2HB GLU 52 5.731 9.248 -3.701 428 2HB GLU 52 1HB GLU 52 6.225 9.286 -2.016 429 1HG GLU 52 2HG GLU 52 6.926 7.058 -2.049 430 2HG GLU 52 1HG GLU 52 6.046 6.711 -3.538 431 H GLY 53 H GLY 53 3.389 6.067 -2.891 432 1HA GLY 53 2HA GLY 53 4.053 5.002 -0.218 433 2HA GLY 53 1HA GLY 53 2.650 4.499 -1.147 434 H GLN 54 H GLN 54 4.764 2.838 -0.025 435 HA GLN 54 HA GLN 54 5.682 1.641 -2.564 436 1HB GLN 54 2HB GLN 54 7.302 1.820 -0.019 437 2HB GLN 54 1HB GLN 54 7.794 1.002 -1.496 438 1HG GLN 54 2HG GLN 54 7.111 3.616 -2.242 439 2HG GLN 54 1HG GLN 54 8.064 3.753 -0.765 440 1HE2 GLN 54 1HE2 GLN 54 9.123 4.797 -2.969 441 2HE2 GLN 54 2HE2 GLN 54 10.418 3.824 -3.569 442 H LEU 55 H LEU 55 4.813 -0.298 -2.811 443 HA LEU 55 HA LEU 55 4.067 -1.825 -0.422 444 1HB LEU 55 2HB LEU 55 3.124 -1.787 -3.251 445 2HB LEU 55 1HB LEU 55 2.973 -3.279 -2.343 446 HG LEU 55 HG LEU 55 1.903 -0.727 -1.206 447 1HD1 LEU 55 1HD1 LEU 55 1.113 -1.421 -3.667 448 2HD1 LEU 55 2HD1 LEU 55 0.030 -0.709 -2.470 449 3HD1 LEU 55 3HD1 LEU 55 0.046 -2.454 -2.715 450 1HD2 LEU 55 1HD2 LEU 55 2.107 -2.869 0.111 451 2HD2 LEU 55 2HD2 LEU 55 0.881 -3.541 -0.963 452 3HD2 LEU 55 3HD2 LEU 55 0.498 -2.149 0.049 453 H ILE 56 H ILE 56 5.713 -3.052 0.253 454 HA ILE 56 HA ILE 56 7.284 -4.513 -1.760 455 HB ILE 56 HB ILE 56 7.958 -3.603 1.027 456 1HG1 ILE 56 2HG1 ILE 56 9.967 -2.692 -0.165 457 2HG1 ILE 56 1HG1 ILE 56 9.240 -3.205 -1.681 458 1HG2 ILE 56 1HG2 ILE 56 9.125 -5.465 1.358 459 2HG2 ILE 56 2HG2 ILE 56 10.207 -4.908 0.080 460 3HG2 ILE 56 3HG2 ILE 56 8.877 -6.001 -0.304 461 1HD1 ILE 56 1HD1 ILE 56 7.966 -1.394 -1.769 462 2HD1 ILE 56 2HD1 ILE 56 8.938 -0.760 -0.439 463 3HD1 ILE 56 3HD1 ILE 56 7.424 -1.602 -0.103 464 H SER 57 H SER 57 6.655 -6.528 -2.020 465 HA SER 57 HA SER 57 5.250 -7.957 0.082 466 1HB SER 57 2HB SER 57 5.754 -8.343 -2.828 467 2HB SER 57 1HB SER 57 5.418 -9.770 -1.845 468 HG SER 57 HG SER 57 3.485 -8.960 -2.621 469 H ILE 58 H ILE 58 6.315 -9.206 1.503 470 HA ILE 58 HA ILE 58 8.944 -10.216 0.713 471 HB ILE 58 HB ILE 58 7.959 -9.246 3.361 472 1HG1 ILE 58 2HG1 ILE 58 10.120 -8.632 1.393 473 2HG1 ILE 58 1HG1 ILE 58 9.051 -7.536 2.259 474 1HG2 ILE 58 1HG2 ILE 58 10.342 -10.197 4.073 475 2HG2 ILE 58 2HG2 ILE 58 9.951 -11.387 2.831 476 3HG2 ILE 58 3HG2 ILE 58 8.872 -11.160 4.207 477 1HD1 ILE 58 1HD1 ILE 58 10.528 -8.531 4.302 478 2HD1 ILE 58 2HD1 ILE 58 10.886 -7.040 3.432 479 3HD1 ILE 58 3HD1 ILE 58 11.701 -8.539 2.985 480 H GLN 59 H GLN 59 9.396 -12.262 0.801 481 HA GLN 59 HA GLN 59 7.311 -14.145 1.600 482 1HB GLN 59 2HB GLN 59 9.212 -14.042 -0.529 483 2HB GLN 59 1HB GLN 59 9.565 -15.456 0.453 484 1HG GLN 59 2HG GLN 59 7.185 -16.128 0.232 485 2HG GLN 59 1HG GLN 59 6.958 -14.782 -0.885 486 1HE2 GLN 59 1HE2 GLN 59 9.341 -17.376 -0.408 487 2HE2 GLN 59 2HE2 GLN 59 9.379 -17.876 -2.061 488 H GLN 60 H GLN 60 8.621 -16.361 2.242 489 HA GLN 60 HA GLN 60 9.485 -15.900 4.885 490 1HB GLN 60 2HB GLN 60 10.158 -18.333 4.806 491 2HB GLN 60 1HB GLN 60 8.480 -17.995 4.396 492 1HG GLN 60 2HG GLN 60 8.717 -18.692 2.272 493 2HG GLN 60 1HG GLN 60 10.352 -18.048 2.130 494 1HE2 GLN 60 1HE2 GLN 60 12.032 -19.260 3.368 495 2HE2 GLN 60 2HE2 GLN 60 11.917 -20.984 3.390 496 H TYR 61 H TYR 61 11.139 -15.404 2.034 497 HA TYR 61 HA TYR 61 13.761 -15.999 3.217 498 1HB TYR 61 2HB TYR 61 12.919 -15.427 0.375 499 2HB TYR 61 1HB TYR 61 14.602 -15.555 0.877 500 HD1 TYR 61 1HD TYR 61 15.051 -17.793 2.342 501 HD2 TYR 61 2HD TYR 61 11.999 -17.300 -0.582 502 HE1 TYR 61 1HE TYR 61 14.959 -20.231 2.036 503 HE2 TYR 61 2HE TYR 61 11.899 -19.737 -0.896 504 HH TYR 61 HH TYR 61 12.455 -21.767 0.257 505 H GLY 62 H GLY 62 11.715 -13.496 3.250 506 1HA GLY 62 2HA GLY 62 12.249 -11.350 4.075 507 2HA GLY 62 1HA GLY 62 13.897 -11.564 3.505 508 H HIS 63 H HIS 63 14.258 -9.906 2.136 509 HA HIS 63 HA HIS 63 12.496 -8.439 0.662 510 1HB HIS 63 2HB HIS 63 15.323 -9.257 -0.010 511 2HB HIS 63 1HB HIS 63 14.417 -8.100 -0.981 512 HD2 HIS 63 2HD HIS 63 14.140 -5.579 0.088 513 HE1 HIS 63 1HE HIS 63 16.429 -6.361 3.560 514 HE2 HIS 63 2HE HIS 63 15.147 -4.597 2.266 515 H GLN 64 H GLN 64 10.848 -9.329 -0.431 516 HA GLN 64 HA GLN 64 11.450 -11.474 -2.336 517 1HB GLN 64 2HB GLN 64 9.901 -12.219 -0.719 518 2HB GLN 64 1HB GLN 64 8.939 -10.757 -0.863 519 1HG GLN 64 2HG GLN 64 7.758 -12.479 -1.956 520 2HG GLN 64 1HG GLN 64 8.427 -11.429 -3.204 521 1HE2 GLN 64 1HE2 GLN 64 10.458 -13.607 -1.446 522 2HE2 GLN 64 2HE2 GLN 64 10.726 -14.732 -2.725 523 H GLU 65 H GLU 65 9.331 -8.626 -2.025 524 HA GLU 65 HA GLU 65 9.741 -8.009 -4.837 525 1HB GLU 65 2HB GLU 65 7.381 -9.285 -3.894 526 2HB GLU 65 1HB GLU 65 6.959 -7.625 -4.300 527 1HG GLU 65 2HG GLU 65 8.359 -9.558 -6.139 528 2HG GLU 65 1HG GLU 65 6.636 -9.189 -6.170 529 H VAL 66 H VAL 66 9.475 -5.886 -5.370 530 HA VAL 66 HA VAL 66 8.705 -4.046 -3.219 531 HB VAL 66 HB VAL 66 10.959 -3.860 -2.948 532 1HG1 VAL 66 1HG1 VAL 66 11.572 -4.057 -5.869 533 2HG1 VAL 66 2HG1 VAL 66 11.289 -5.498 -4.888 534 3HG1 VAL 66 3HG1 VAL 66 12.613 -4.399 -4.486 535 1HG2 VAL 66 1HG2 VAL 66 10.897 -2.007 -5.298 536 2HG2 VAL 66 2HG2 VAL 66 11.621 -1.772 -3.707 537 3HG2 VAL 66 3HG2 VAL 66 9.869 -1.688 -3.901 538 H THR 67 H THR 67 7.438 -2.403 -3.865 539 HA THR 67 HA THR 67 7.420 -1.646 -6.693 540 HB THR 67 HB THR 67 5.345 -3.142 -5.416 541 HG1 THR 67 1HG THR 67 5.653 -1.961 -7.989 542 1HG2 THR 67 1HG2 THR 67 3.397 -1.826 -5.740 543 2HG2 THR 67 2HG2 THR 67 4.308 -0.541 -6.532 544 3HG2 THR 67 3HG2 THR 67 4.504 -0.822 -4.803 545 H ARG 68 H ARG 68 7.504 0.498 -6.955 546 HA ARG 68 HA ARG 68 6.810 2.208 -4.656 547 1HB ARG 68 2HB ARG 68 8.570 3.207 -6.843 548 2HB ARG 68 1HB ARG 68 8.583 3.593 -5.129 549 1HG ARG 68 2HG ARG 68 9.879 1.788 -4.586 550 2HG ARG 68 1HG ARG 68 9.331 0.841 -5.970 551 1HD ARG 68 2HD ARG 68 10.566 2.842 -7.259 552 2HD ARG 68 1HD ARG 68 11.505 2.834 -5.768 553 HE ARG 68 HE ARG 68 12.477 0.884 -6.446 554 1HH1 ARG 68 1HH1 ARG 68 9.543 1.359 -8.266 555 2HH1 ARG 68 2HH1 ARG 68 9.819 0.006 -9.310 556 1HH2 ARG 68 1HH2 ARG 68 12.851 -0.896 -7.821 557 2HH2 ARG 68 2HH2 ARG 68 11.698 -1.276 -9.057 558 H PHE 69 H PHE 69 5.123 3.533 -4.878 559 HA PHE 69 HA PHE 69 4.527 4.825 -7.399 560 1HB PHE 69 2HB PHE 69 2.673 2.787 -6.176 561 2HB PHE 69 1HB PHE 69 2.091 4.052 -7.251 562 HD1 PHE 69 1HD PHE 69 3.469 4.226 -9.527 563 HD2 PHE 69 2HD PHE 69 3.164 0.756 -7.083 564 HE1 PHE 69 1HE PHE 69 4.015 2.815 -11.468 565 HE2 PHE 69 2HE PHE 69 3.710 -0.661 -9.017 566 HZ PHE 69 HZ PHE 69 4.136 0.368 -11.215 567 H ASP 70 H ASP 70 3.883 6.859 -6.992 568 HA ASP 70 HA ASP 70 3.053 7.554 -4.289 569 1HB ASP 70 2HB ASP 70 3.114 9.894 -5.776 570 2HB ASP 70 1HB ASP 70 4.415 9.284 -4.758 571 H PHE 71 H PHE 71 1.057 8.360 -3.778 572 HA PHE 71 HA PHE 71 -0.855 8.865 -5.927 573 1HB PHE 71 2HB PHE 71 -2.502 7.368 -5.095 574 2HB PHE 71 1HB PHE 71 -1.007 6.438 -5.243 575 HD1 PHE 71 1HD PHE 71 0.049 5.498 -3.323 576 HD2 PHE 71 2HD PHE 71 -3.325 8.078 -2.873 577 HE1 PHE 71 1HE PHE 71 -0.143 4.831 -0.962 578 HE2 PHE 71 2HE PHE 71 -3.518 7.401 -0.513 579 HZ PHE 71 HZ PHE 71 -1.930 5.781 0.443 580 H THR 72 H THR 72 -2.816 9.852 -5.216 581 HA THR 72 HA THR 72 -2.906 10.906 -2.522 582 HB THR 72 HB THR 72 -1.843 12.801 -3.163 583 HG1 THR 72 1HG THR 72 -3.515 14.220 -4.366 584 1HG2 THR 72 1HG2 THR 72 -1.742 13.625 -5.510 585 2HG2 THR 72 2HG2 THR 72 -2.721 12.241 -5.997 586 3HG2 THR 72 3HG2 THR 72 -1.116 11.989 -5.312 587 H THR 73 H THR 73 -4.968 11.058 -1.849 588 HA THR 73 HA THR 73 -7.134 10.562 -3.767 589 HB THR 73 HB THR 73 -6.868 9.335 -1.464 590 HG1 THR 73 1HG THR 73 -8.798 9.504 -2.950 591 1HG2 THR 73 1HG2 THR 73 -7.047 11.991 -0.549 592 2HG2 THR 73 2HG2 THR 73 -7.080 10.518 0.424 593 3HG2 THR 73 3HG2 THR 73 -8.588 11.236 -0.142 594 H THR 74 H THR 74 -5.411 12.932 -3.007 595 HA THR 74 HA THR 74 -7.436 14.942 -2.371 596 HB THR 74 HB THR 74 -5.836 15.955 -1.166 597 HG1 THR 74 1HG THR 74 -3.551 15.946 -2.152 598 1HG2 THR 74 1HG2 THR 74 -3.805 13.824 -1.572 599 2HG2 THR 74 2HG2 THR 74 -5.389 13.297 -0.997 600 3HG2 THR 74 3HG2 THR 74 -4.474 14.490 -0.075 601 H SER 75 H SER 75 -5.256 13.823 -4.792 602 HA SER 75 HA SER 75 -5.551 16.251 -6.390 603 1HB SER 75 2HB SER 75 -3.331 14.947 -5.935 604 2HB SER 75 1HB SER 75 -3.922 13.864 -7.197 605 HG SER 75 HG SER 75 -3.785 15.460 -8.665 606 H THR 76 H THR 76 -7.876 14.778 -6.048 607 HA THR 76 HA THR 76 -8.311 13.757 -8.773 608 HB THR 76 HB THR 76 -9.985 12.152 -7.798 609 HG1 THR 76 1HG THR 76 -9.811 13.416 -5.661 610 1HG2 THR 76 1HG2 THR 76 -8.420 10.521 -7.770 611 2HG2 THR 76 2HG2 THR 76 -7.447 11.332 -6.542 612 3HG2 THR 76 3HG2 THR 76 -7.325 11.825 -8.232 613 H SER 77 H SER 77 -9.965 14.893 -5.821 614 HA SER 77 HA SER 77 -12.130 15.958 -7.483 615 1HB SER 77 2HB SER 77 -13.107 16.419 -5.088 616 2HB SER 77 1HB SER 77 -13.116 14.781 -5.744 617 HG SER 77 HG SER 77 -12.276 15.130 -3.514 618 H THR 78 H THR 78 -12.924 17.914 -5.467 619 HA THR 78 HA THR 78 -10.735 19.849 -5.462 620 HB THR 78 HB THR 78 -11.940 20.159 -7.615 621 HG1 THR 78 1HG THR 78 -12.557 22.497 -6.970 622 1HG2 THR 78 1HG2 THR 78 -14.158 19.597 -7.274 623 2HG2 THR 78 2HG2 THR 78 -14.238 21.360 -7.256 624 3HG2 THR 78 3HG2 THR 78 -14.248 20.460 -5.736 625 HA PRO 79 HA PRO 79 -13.885 20.489 -2.026 626 1HB PRO 79 2HB PRO 79 -13.583 18.562 -0.248 627 2HB PRO 79 1HB PRO 79 -14.483 18.259 -1.734 628 1HG PRO 79 2HG PRO 79 -11.721 17.424 -0.990 629 2HG PRO 79 1HG PRO 79 -12.935 16.564 -1.952 630 1HD PRO 79 2HD PRO 79 -10.786 18.124 -2.934 631 2HD PRO 79 1HD PRO 79 -12.139 17.466 -3.873 632 H GLY 80 H GLY 80 -13.473 20.820 0.423 633 1HA GLY 80 2HA GLY 80 -10.624 21.368 0.936 634 2HA GLY 80 1HA GLY 80 -11.814 22.642 1.157 635 H SER 81 H SER 81 -12.632 22.883 3.124 636 HA SER 81 HA SER 81 -13.047 22.552 5.335 637 1HB SER 81 2HB SER 81 -13.470 19.650 5.136 638 2HB SER 81 1HB SER 81 -14.568 20.915 5.685 639 HG SER 81 HG SER 81 -14.104 19.965 3.078 640 H ARG 82 H ARG 82 -12.639 20.344 7.009 641 HA ARG 82 HA ARG 82 -11.060 19.439 8.368 642 1HB ARG 82 2HB ARG 82 -10.595 18.390 5.930 643 2HB ARG 82 1HB ARG 82 -9.051 19.186 6.204 644 1HG ARG 82 2HG ARG 82 -8.906 17.976 8.385 645 2HG ARG 82 1HG ARG 82 -10.346 17.073 7.908 646 1HD ARG 82 2HD ARG 82 -8.641 15.661 7.242 647 2HD ARG 82 1HD ARG 82 -8.994 16.546 5.760 648 HE ARG 82 HE ARG 82 -6.997 17.799 6.080 649 1HH1 ARG 82 1HH1 ARG 82 -7.422 15.197 8.360 650 2HH1 ARG 82 2HH1 ARG 82 -5.750 15.149 8.811 651 1HH2 ARG 82 1HH2 ARG 82 -4.797 17.743 6.670 652 2HH2 ARG 82 2HH2 ARG 82 -4.259 16.595 7.850 653 H SER 83 H SER 83 -10.928 22.389 7.456 654 HA SER 83 HA SER 83 -8.697 23.073 9.097 655 1HB SER 83 2HB SER 83 -7.624 22.526 6.866 656 2HB SER 83 1HB SER 83 -8.477 23.920 6.204 657 HG SER 83 HG SER 83 -6.208 24.150 7.110 658 H HIS 84 H HIS 84 -9.505 25.146 6.425 659 HA HIS 84 HA HIS 84 -10.494 27.190 6.330 660 1HB HIS 84 2HB HIS 84 -12.386 25.422 7.706 661 2HB HIS 84 1HB HIS 84 -12.649 27.131 8.040 662 HD2 HIS 84 2HD HIS 84 -12.332 28.516 5.243 663 HE1 HIS 84 1HE HIS 84 -14.872 25.478 3.753 664 HE2 HIS 84 2HE HIS 84 -13.757 27.696 3.238 665 H HIS 85 H HIS 85 -8.512 26.573 8.501 666 HA HIS 85 HA HIS 85 -8.831 29.071 9.928 667 1HB HIS 85 2HB HIS 85 -9.675 26.696 11.153 668 2HB HIS 85 1HB HIS 85 -8.097 27.037 11.855 669 HD2 HIS 85 2HD HIS 85 -8.098 28.884 13.813 670 HE1 HIS 85 1HE HIS 85 -12.001 30.367 13.121 671 HE2 HIS 85 2HE HIS 85 -9.917 30.580 14.550 672 H HIS 86 H HIS 86 -6.848 29.220 11.564 673 HA HIS 86 HA HIS 86 -4.489 28.504 9.971 674 1HB HIS 86 2HB HIS 86 -5.290 30.894 11.283 675 2HB HIS 86 1HB HIS 86 -3.850 30.298 12.104 676 HD2 HIS 86 2HD HIS 86 -2.472 32.499 10.976 677 HE1 HIS 86 1HE HIS 86 -2.499 30.850 7.078 678 HE2 HIS 86 2HE HIS 86 -1.395 32.535 8.616 679 H HIS 87 H HIS 87 -4.292 26.366 10.729 680 HA HIS 87 HA HIS 87 -3.124 26.190 13.415 681 1HB HIS 87 2HB HIS 87 -5.374 24.552 12.301 682 2HB HIS 87 1HB HIS 87 -4.264 23.834 13.464 683 HD2 HIS 87 2HD HIS 87 -7.495 25.647 13.474 684 HE1 HIS 87 1HE HIS 87 -5.693 26.517 17.204 685 HE2 HIS 87 2HE HIS 87 -7.875 26.443 15.914 686 H HIS 88 H HIS 88 -1.331 24.952 13.555 687 HA HIS 88 HA HIS 88 0.514 23.809 12.873 688 1HB HIS 88 2HB HIS 88 -1.520 22.099 12.651 689 2HB HIS 88 1HB HIS 88 -1.073 22.178 10.951 690 HD2 HIS 88 2HD HIS 88 1.630 21.353 10.423 691 HE1 HIS 88 1HE HIS 88 1.851 19.153 14.032 692 HE2 HIS 88 2HE HIS 88 2.835 19.453 11.715 693 H HIS 89 H HIS 89 1.014 25.913 11.768 694 HA HIS 89 HA HIS 89 0.953 25.702 8.842 695 1HB HIS 89 2HB HIS 89 1.692 28.114 8.935 696 2HB HIS 89 1HB HIS 89 0.095 27.796 9.606 697 HD2 HIS 89 2HD HIS 89 3.699 28.697 10.840 698 HE1 HIS 89 1HE HIS 89 0.906 29.425 13.935 699 HE2 HIS 89 2HE HIS 89 3.355 29.504 13.281 Start of MODEL 21 1 1H MET 1 1HT MET 1 11.761 -34.221 7.488 2 2H MET 1 2HT MET 1 12.237 -35.727 8.095 3 3H MET 1 3HT MET 1 10.902 -34.929 8.763 4 HA MET 1 HA MET 1 10.313 -36.792 7.263 5 1HB MET 1 2HB MET 1 8.550 -35.516 6.133 6 2HB MET 1 1HB MET 1 8.765 -34.965 7.788 7 1HG MET 1 2HG MET 1 10.457 -33.390 6.185 8 2HG MET 1 1HG MET 1 8.905 -33.482 5.355 9 1HE MET 1 1HE MET 1 9.874 -30.271 7.491 10 2HE MET 1 2HE MET 1 10.940 -31.595 7.021 11 3HE MET 1 3HE MET 1 10.489 -31.384 8.713 12 H ARG 2 H ARG 2 12.769 -34.865 6.188 13 HA ARG 2 HA ARG 2 13.988 -34.707 4.274 14 1HB ARG 2 2HB ARG 2 13.912 -37.234 4.727 15 2HB ARG 2 1HB ARG 2 12.727 -37.308 3.430 16 1HG ARG 2 2HG ARG 2 14.480 -36.116 2.003 17 2HG ARG 2 1HG ARG 2 15.620 -36.543 3.282 18 1HD ARG 2 2HD ARG 2 15.076 -38.899 2.999 19 2HD ARG 2 1HD ARG 2 13.893 -38.490 1.757 20 HE ARG 2 HE ARG 2 16.784 -38.511 1.483 21 1HH1 ARG 2 1HH1 ARG 2 13.703 -37.616 0.123 22 2HH1 ARG 2 2HH1 ARG 2 14.309 -37.491 -1.495 23 1HH2 ARG 2 1HH2 ARG 2 17.590 -38.349 -0.645 24 2HH2 ARG 2 2HH2 ARG 2 16.518 -37.907 -1.932 25 H GLY 3 H GLY 3 12.022 -33.054 4.013 26 1HA GLY 3 2HA GLY 3 11.628 -32.466 1.425 27 2HA GLY 3 1HA GLY 3 10.364 -33.654 1.706 28 H SER 4 H SER 4 8.770 -32.082 1.269 29 HA SER 4 HA SER 4 7.215 -30.513 1.802 30 1HB SER 4 2HB SER 4 8.227 -31.317 4.515 31 2HB SER 4 1HB SER 4 7.029 -30.031 4.354 32 HG SER 4 HG SER 4 5.748 -31.734 4.440 33 H ASN 5 H ASN 5 8.185 -28.816 0.684 34 HA ASN 5 HA ASN 5 10.055 -27.089 2.090 35 1HB ASN 5 2HB ASN 5 8.951 -26.401 -0.598 36 2HB ASN 5 1HB ASN 5 10.574 -26.161 0.041 37 1HD2 ASN 5 1HD2 ASN 5 9.131 -27.639 -2.322 38 2HD2 ASN 5 2HD2 ASN 5 10.015 -29.120 -2.416 39 H ALA 6 H ALA 6 7.530 -27.215 3.279 40 HA ALA 6 HA ALA 6 5.940 -25.875 4.191 41 1HB ALA 6 1HB ALA 6 7.925 -23.910 3.184 42 2HB ALA 6 2HB ALA 6 7.359 -24.211 4.828 43 3HB ALA 6 3HB ALA 6 6.349 -23.310 3.698 44 HA PRO 7 HA PRO 7 3.138 -26.000 0.656 45 1HB PRO 7 2HB PRO 7 1.292 -25.104 2.818 46 2HB PRO 7 1HB PRO 7 1.094 -26.403 1.636 47 1HG PRO 7 2HG PRO 7 1.689 -26.957 4.169 48 2HG PRO 7 1HG PRO 7 2.415 -27.880 2.840 49 1HD PRO 7 2HD PRO 7 3.619 -25.755 4.554 50 2HD PRO 7 1HD PRO 7 4.367 -27.211 3.868 51 H GLN 8 H GLN 8 3.050 -24.381 -0.756 52 HA GLN 8 HA GLN 8 3.396 -21.662 -0.030 53 1HB GLN 8 2HB GLN 8 2.244 -22.485 -2.672 54 2HB GLN 8 1HB GLN 8 3.371 -21.185 -2.312 55 1HG GLN 8 2HG GLN 8 5.190 -22.612 -2.211 56 2HG GLN 8 1HG GLN 8 4.185 -24.035 -1.936 57 1HE2 GLN 8 1HE2 GLN 8 2.919 -24.827 -3.718 58 2HE2 GLN 8 2HE2 GLN 8 3.471 -24.584 -5.337 59 HA PRO 9 HA PRO 9 -0.922 -21.061 1.135 60 1HB PRO 9 2HB PRO 9 -0.021 -18.273 1.498 61 2HB PRO 9 1HB PRO 9 -0.778 -19.369 2.657 62 1HG PRO 9 2HG PRO 9 1.814 -18.715 2.840 63 2HG PRO 9 1HG PRO 9 1.232 -20.338 3.257 64 1HD PRO 9 2HD PRO 9 2.619 -19.402 0.774 65 2HD PRO 9 1HD PRO 9 2.838 -20.909 1.689 66 H SER 10 H SER 10 -2.629 -19.475 0.476 67 HA SER 10 HA SER 10 -2.503 -19.061 -2.367 68 1HB SER 10 2HB SER 10 -4.551 -19.762 -0.901 69 2HB SER 10 1HB SER 10 -4.731 -18.028 -0.640 70 HG SER 10 HG SER 10 -5.896 -18.959 -2.484 71 H HIS 11 H HIS 11 -1.245 -17.351 0.076 72 HA HIS 11 HA HIS 11 -1.252 -14.893 -1.479 73 1HB HIS 11 2HB HIS 11 -1.651 -13.587 0.697 74 2HB HIS 11 1HB HIS 11 -3.049 -14.332 -0.069 75 HD2 HIS 11 2HD HIS 11 -4.292 -16.327 1.366 76 HE1 HIS 11 1HE HIS 11 -1.779 -16.001 4.756 77 HE2 HIS 11 2HE HIS 11 -3.985 -16.894 3.879 78 H ILE 12 H ILE 12 0.204 -13.222 -0.235 79 HA ILE 12 HA ILE 12 2.759 -14.506 0.096 80 HB ILE 12 HB ILE 12 2.687 -12.420 -1.109 81 1HG1 ILE 12 2HG1 ILE 12 4.022 -11.094 0.993 82 2HG1 ILE 12 1HG1 ILE 12 4.295 -12.816 1.248 83 1HG2 ILE 12 1HG2 ILE 12 2.131 -10.589 1.047 84 2HG2 ILE 12 2HG2 ILE 12 0.776 -11.686 0.778 85 3HG2 ILE 12 3HG2 ILE 12 1.394 -10.703 -0.551 86 1HD1 ILE 12 1HD1 ILE 12 5.566 -13.027 -0.605 87 2HD1 ILE 12 2HD1 ILE 12 5.857 -11.317 -0.288 88 3HD1 ILE 12 3HD1 ILE 12 4.670 -11.799 -1.499 89 H SER 13 H SER 13 4.082 -14.449 1.948 90 HA SER 13 HA SER 13 2.930 -14.990 4.390 91 1HB SER 13 2HB SER 13 5.661 -13.800 3.840 92 2HB SER 13 1HB SER 13 5.166 -14.496 5.382 93 HG SER 13 HG SER 13 5.151 -15.899 2.915 94 H LYS 14 H LYS 14 4.160 -11.896 3.178 95 HA LYS 14 HA LYS 14 2.217 -10.394 4.577 96 1HB LYS 14 2HB LYS 14 3.870 -9.135 6.040 97 2HB LYS 14 1HB LYS 14 3.434 -10.752 6.571 98 1HG LYS 14 2HG LYS 14 5.594 -11.395 5.182 99 2HG LYS 14 1HG LYS 14 6.017 -9.720 5.548 100 1HD LYS 14 2HD LYS 14 5.006 -10.880 7.924 101 2HD LYS 14 1HD LYS 14 6.168 -12.016 7.236 102 1HE LYS 14 2HE LYS 14 7.748 -10.055 7.008 103 2HE LYS 14 1HE LYS 14 6.612 -9.138 7.995 104 1HZ LYS 14 1HZ LYS 14 7.250 -11.661 9.165 105 2HZ LYS 14 2HZ LYS 14 7.360 -10.111 9.831 106 3HZ LYS 14 3HZ LYS 14 8.638 -10.728 8.911 107 H TYR 15 H TYR 15 2.113 -8.300 3.869 108 HA TYR 15 HA TYR 15 4.025 -7.536 1.762 109 1HB TYR 15 2HB TYR 15 1.246 -7.673 1.692 110 2HB TYR 15 1HB TYR 15 1.566 -5.959 1.931 111 HD1 TYR 15 1HD TYR 15 3.629 -5.123 0.314 112 HD2 TYR 15 2HD TYR 15 0.922 -8.310 -0.478 113 HE1 TYR 15 1HE TYR 15 4.037 -4.861 -2.097 114 HE2 TYR 15 2HE TYR 15 1.321 -8.057 -2.889 115 HH TYR 15 HH TYR 15 2.242 -5.738 -4.367 116 H ILE 16 H ILE 16 4.878 -5.415 1.772 117 HA ILE 16 HA ILE 16 4.475 -3.987 4.311 118 HB ILE 16 HB ILE 16 6.906 -4.900 3.190 119 1HG1 ILE 16 2HG1 ILE 16 6.379 -4.740 5.574 120 2HG1 ILE 16 1HG1 ILE 16 7.865 -3.866 5.213 121 1HG2 ILE 16 1HG2 ILE 16 6.877 -2.873 1.775 122 2HG2 ILE 16 2HG2 ILE 16 8.212 -2.874 2.928 123 3HG2 ILE 16 3HG2 ILE 16 6.786 -1.880 3.231 124 1HD1 ILE 16 1HD1 ILE 16 6.463 -2.639 6.778 125 2HD1 ILE 16 2HD1 ILE 16 5.146 -2.627 5.603 126 3HD1 ILE 16 3HD1 ILE 16 6.642 -1.756 5.261 127 H LEU 17 H LEU 17 4.251 -1.785 4.276 128 HA LEU 17 HA LEU 17 3.956 -0.575 1.615 129 1HB LEU 17 2HB LEU 17 1.931 -1.009 3.451 130 2HB LEU 17 1HB LEU 17 2.376 0.665 3.727 131 HG LEU 17 HG LEU 17 2.110 0.110 0.897 132 1HD1 LEU 17 1HD1 LEU 17 -0.361 -0.126 0.934 133 2HD1 LEU 17 2HD1 LEU 17 -0.262 -0.447 2.665 134 3HD1 LEU 17 3HD1 LEU 17 0.501 -1.549 1.518 135 1HD2 LEU 17 1HD2 LEU 17 0.200 1.942 1.607 136 2HD2 LEU 17 2HD2 LEU 17 1.870 2.312 1.174 137 3HD2 LEU 17 3HD2 LEU 17 1.416 2.140 2.871 138 H ARG 18 H ARG 18 5.567 0.794 1.374 139 HA ARG 18 HA ARG 18 6.348 2.436 3.683 140 1HB ARG 18 2HB ARG 18 8.352 2.319 1.584 141 2HB ARG 18 1HB ARG 18 8.514 1.990 3.304 142 1HG ARG 18 2HG ARG 18 7.224 -0.232 2.531 143 2HG ARG 18 1HG ARG 18 8.121 0.139 1.055 144 1HD ARG 18 2HD ARG 18 9.391 0.017 3.783 145 2HD ARG 18 1HD ARG 18 9.283 -1.375 2.703 146 HE ARG 18 HE ARG 18 10.474 0.381 1.114 147 1HH1 ARG 18 1HH1 ARG 18 11.081 -0.375 4.460 148 2HH1 ARG 18 2HH1 ARG 18 12.769 0.003 4.373 149 1HH2 ARG 18 1HH2 ARG 18 12.697 0.877 0.988 150 2HH2 ARG 18 2HH2 ARG 18 13.689 0.714 2.400 151 H TRP 19 H TRP 19 6.092 4.579 3.448 152 HA TRP 19 HA TRP 19 6.208 5.750 0.817 153 1HB TRP 19 2HB TRP 19 4.008 6.175 0.416 154 2HB TRP 19 1HB TRP 19 3.836 4.680 1.321 155 HD1 TRP 19 HD TRP 19 3.489 8.504 1.810 156 HE1 TRP 19 1HE TRP 19 1.812 8.900 3.732 157 HE3 TRP 19 3HE TRP 19 2.776 3.659 3.301 158 HZ2 TRP 19 2HZ TRP 19 0.393 7.367 5.630 159 HZ3 TRP 19 3HZ TRP 19 1.248 3.213 5.178 160 HH2 TRP 19 HH TRP 19 0.082 5.030 6.317 161 H ARG 20 H ARG 20 5.798 8.003 0.758 162 HA ARG 20 HA ARG 20 5.696 9.546 3.154 163 1HB ARG 20 2HB ARG 20 7.848 10.446 3.201 164 2HB ARG 20 1HB ARG 20 8.153 8.747 2.868 165 1HG ARG 20 2HG ARG 20 8.000 10.852 0.726 166 2HG ARG 20 1HG ARG 20 9.500 10.368 1.521 167 1HD ARG 20 2HD ARG 20 8.949 8.000 0.822 168 2HD ARG 20 1HD ARG 20 7.679 8.690 -0.191 169 HE ARG 20 HE ARG 20 10.437 8.595 -0.792 170 1HH1 ARG 20 1HH1 ARG 20 7.658 10.681 -1.057 171 2HH1 ARG 20 2HH1 ARG 20 8.260 11.520 -2.447 172 1HH2 ARG 20 1HH2 ARG 20 11.240 9.696 -2.620 173 2HH2 ARG 20 2HH2 ARG 20 10.295 10.958 -3.338 174 HA PRO 21 HA PRO 21 3.693 12.278 0.337 175 1HB PRO 21 2HB PRO 21 4.614 14.689 1.404 176 2HB PRO 21 1HB PRO 21 3.184 13.806 1.947 177 1HG PRO 21 2HG PRO 21 5.948 13.804 3.043 178 2HG PRO 21 1HG PRO 21 4.410 13.794 3.918 179 1HD PRO 21 2HD PRO 21 5.868 11.589 3.687 180 2HD PRO 21 1HD PRO 21 4.097 11.515 3.524 181 H LYS 22 H LYS 22 4.478 12.278 -1.651 182 HA LYS 22 HA LYS 22 7.064 12.561 -2.520 183 1HB LYS 22 2HB LYS 22 4.969 11.816 -3.793 184 2HB LYS 22 1HB LYS 22 4.712 13.518 -4.128 185 1HG LYS 22 2HG LYS 22 5.928 12.041 -5.865 186 2HG LYS 22 1HG LYS 22 6.537 13.662 -5.529 187 1HD LYS 22 2HD LYS 22 8.246 12.743 -4.066 188 2HD LYS 22 1HD LYS 22 7.598 11.118 -4.295 189 1HE LYS 22 2HE LYS 22 8.506 10.900 -6.361 190 2HE LYS 22 1HE LYS 22 8.309 12.609 -6.745 191 1HZ LYS 22 1HZ LYS 22 10.255 11.956 -4.678 192 2HZ LYS 22 2HZ LYS 22 10.323 13.125 -5.898 193 3HZ LYS 22 3HZ LYS 22 10.660 11.508 -6.259 194 H ASN 23 H ASN 23 4.726 15.120 -1.849 195 HA ASN 23 HA ASN 23 6.614 17.130 -2.833 196 1HB ASN 23 2HB ASN 23 3.866 16.965 -3.004 197 2HB ASN 23 1HB ASN 23 4.109 18.127 -1.702 198 1HD2 ASN 23 1HD2 ASN 23 5.087 17.376 -5.010 199 2HD2 ASN 23 2HD2 ASN 23 5.306 19.015 -5.507 200 H SER 24 H SER 24 4.845 16.280 0.130 201 HA SER 24 HA SER 24 6.114 18.371 1.642 202 1HB SER 24 2HB SER 24 4.233 18.026 2.818 203 2HB SER 24 1HB SER 24 3.967 16.454 2.064 204 HG SER 24 HG SER 24 5.179 17.092 4.469 205 H VAL 25 H VAL 25 7.978 18.292 2.694 206 HA VAL 25 HA VAL 25 9.652 15.986 2.529 207 HB VAL 25 HB VAL 25 10.745 18.091 2.428 208 1HG1 VAL 25 1HG1 VAL 25 9.309 19.629 3.404 209 2HG1 VAL 25 2HG1 VAL 25 10.673 19.599 4.521 210 3HG1 VAL 25 3HG1 VAL 25 9.195 18.718 4.910 211 1HG2 VAL 25 1HG2 VAL 25 11.715 17.755 5.098 212 2HG2 VAL 25 2HG2 VAL 25 12.485 17.324 3.572 213 3HG2 VAL 25 3HG2 VAL 25 11.417 16.174 4.376 214 H GLY 26 H GLY 26 9.470 14.262 3.791 215 1HA GLY 26 2HA GLY 26 9.284 14.571 6.667 216 2HA GLY 26 1HA GLY 26 7.896 13.792 5.923 217 H ARG 27 H ARG 27 8.682 12.068 7.462 218 HA ARG 27 HA ARG 27 10.957 10.549 6.424 219 1HB ARG 27 2HB ARG 27 9.424 10.556 8.989 220 2HB ARG 27 1HB ARG 27 10.268 9.089 8.514 221 1HG ARG 27 2HG ARG 27 11.824 10.167 9.831 222 2HG ARG 27 1HG ARG 27 12.309 10.641 8.200 223 1HD ARG 27 2HD ARG 27 12.318 12.536 9.770 224 2HD ARG 27 1HD ARG 27 11.176 12.765 8.445 225 HE ARG 27 HE ARG 27 9.856 11.606 10.648 226 1HH1 ARG 27 1HH1 ARG 27 11.267 14.623 9.620 227 2HH1 ARG 27 2HH1 ARG 27 10.230 15.594 10.611 228 1HH2 ARG 27 1HH2 ARG 27 8.491 12.876 11.958 229 2HH2 ARG 27 2HH2 ARG 27 8.654 14.601 11.942 230 H TRP 28 H TRP 28 10.735 8.204 6.141 231 HA TRP 28 HA TRP 28 8.584 7.556 4.434 232 1HB TRP 28 2HB TRP 28 10.802 5.975 5.694 233 2HB TRP 28 1HB TRP 28 9.515 5.145 4.828 234 HD1 TRP 28 HD TRP 28 12.652 7.167 4.280 235 HE1 TRP 28 1HE TRP 28 13.164 7.277 1.760 236 HE3 TRP 28 3HE TRP 28 8.276 5.232 2.477 237 HZ2 TRP 28 2HZ TRP 28 11.880 6.630 -0.672 238 HZ3 TRP 28 3HZ TRP 28 7.995 5.016 0.041 239 HH2 TRP 28 HH TRP 28 9.762 5.700 -1.499 240 H LYS 29 H LYS 29 7.418 5.343 4.828 241 HA LYS 29 HA LYS 29 6.413 5.174 7.580 242 1HB LYS 29 2HB LYS 29 4.968 6.465 5.654 243 2HB LYS 29 1HB LYS 29 4.369 4.821 5.484 244 1HG LYS 29 2HG LYS 29 2.984 5.239 7.158 245 2HG LYS 29 1HG LYS 29 4.386 5.299 8.227 246 1HD LYS 29 2HD LYS 29 4.585 7.755 7.434 247 2HD LYS 29 1HD LYS 29 2.912 7.553 6.912 248 1HE LYS 29 2HE LYS 29 2.775 6.543 9.414 249 2HE LYS 29 1HE LYS 29 4.046 7.745 9.624 250 1HZ LYS 29 1HZ LYS 29 1.226 8.116 9.228 251 2HZ LYS 29 2HZ LYS 29 2.167 9.078 8.203 252 3HZ LYS 29 3HZ LYS 29 2.374 9.175 9.878 253 H GLU 30 H GLU 30 5.270 3.102 7.984 254 HA GLU 30 HA GLU 30 5.848 1.007 6.022 255 1HB GLU 30 2HB GLU 30 6.464 -0.134 8.529 256 2HB GLU 30 1HB GLU 30 7.547 0.149 7.173 257 1HG GLU 30 2HG GLU 30 8.687 1.574 8.415 258 2HG GLU 30 1HG GLU 30 7.264 2.610 8.511 259 H ALA 31 H ALA 31 4.228 -0.376 5.811 260 HA ALA 31 HA ALA 31 2.409 -0.874 8.050 261 1HB ALA 31 1HB ALA 31 1.730 0.824 5.929 262 2HB ALA 31 2HB ALA 31 0.647 0.139 7.142 263 3HB ALA 31 3HB ALA 31 0.895 -0.697 5.607 264 H THR 32 H THR 32 2.460 -3.022 8.323 265 HA THR 32 HA THR 32 3.009 -4.736 6.028 266 HB THR 32 HB THR 32 2.640 -5.847 8.772 267 HG1 THR 32 1HG THR 32 4.437 -3.905 8.113 268 1HG2 THR 32 1HG2 THR 32 3.517 -7.641 7.783 269 2HG2 THR 32 2HG2 THR 32 4.971 -6.727 7.382 270 3HG2 THR 32 3HG2 THR 32 3.607 -6.751 6.264 271 H ILE 33 H ILE 33 1.397 -5.529 4.903 272 HA ILE 33 HA ILE 33 -1.091 -6.291 6.286 273 HB ILE 33 HB ILE 33 -1.615 -5.904 3.520 274 1HG1 ILE 33 2HG1 ILE 33 0.430 -4.399 3.674 275 2HG1 ILE 33 1HG1 ILE 33 -1.044 -3.638 3.092 276 1HG2 ILE 33 1HG2 ILE 33 -3.115 -4.075 4.488 277 2HG2 ILE 33 2HG2 ILE 33 -2.495 -4.581 6.059 278 3HG2 ILE 33 3HG2 ILE 33 -3.368 -5.729 5.045 279 1HD1 ILE 33 1HD1 ILE 33 -1.011 -3.292 5.881 280 2HD1 ILE 33 2HD1 ILE 33 -0.789 -2.073 4.625 281 3HD1 ILE 33 3HD1 ILE 33 0.608 -2.916 5.294 282 HA PRO 34 HA PRO 34 0.464 -10.259 4.752 283 1HB PRO 34 2HB PRO 34 -2.009 -11.246 6.032 284 2HB PRO 34 1HB PRO 34 -0.331 -11.742 6.279 285 1HG PRO 34 2HG PRO 34 -1.647 -10.292 8.111 286 2HG PRO 34 1HG PRO 34 0.083 -10.057 7.804 287 1HD PRO 34 2HD PRO 34 -2.245 -8.406 6.912 288 2HD PRO 34 1HD PRO 34 -0.636 -7.886 7.456 289 H GLY 35 H GLY 35 0.051 -9.776 2.562 290 1HA GLY 35 2HA GLY 35 -1.064 -9.860 0.548 291 2HA GLY 35 1HA GLY 35 -1.602 -11.412 1.166 292 H HIS 36 H HIS 36 -2.407 -8.023 1.947 293 HA HIS 36 HA HIS 36 -4.414 -6.983 2.229 294 1HB HIS 36 2HB HIS 36 -4.289 -7.638 -0.321 295 2HB HIS 36 1HB HIS 36 -5.613 -8.720 0.105 296 HD2 HIS 36 2HD HIS 36 -8.054 -7.571 0.244 297 HE1 HIS 36 1HE HIS 36 -6.727 -3.560 -0.013 298 HE2 HIS 36 2HE HIS 36 -8.751 -5.072 0.205 299 H LEU 37 H LEU 37 -4.274 -8.530 4.236 300 HA LEU 37 HA LEU 37 -6.082 -10.690 4.409 301 1HB LEU 37 2HB LEU 37 -5.698 -10.662 6.765 302 2HB LEU 37 1HB LEU 37 -4.184 -10.348 5.950 303 HG LEU 37 HG LEU 37 -4.121 -8.897 7.757 304 1HD1 LEU 37 1HD1 LEU 37 -5.407 -7.100 5.726 305 2HD1 LEU 37 2HD1 LEU 37 -3.772 -7.738 5.551 306 3HD1 LEU 37 3HD1 LEU 37 -4.172 -6.698 6.919 307 1HD2 LEU 37 1HD2 LEU 37 -6.030 -8.777 8.908 308 2HD2 LEU 37 2HD2 LEU 37 -7.029 -8.866 7.458 309 3HD2 LEU 37 3HD2 LEU 37 -6.324 -7.325 7.951 310 H ASN 38 H ASN 38 -6.563 -7.284 4.541 311 HA ASN 38 HA ASN 38 -9.382 -7.557 4.540 312 1HB ASN 38 2HB ASN 38 -10.024 -6.838 6.657 313 2HB ASN 38 1HB ASN 38 -8.663 -7.892 7.026 314 1HD2 ASN 38 1HD2 ASN 38 -9.946 -5.385 8.245 315 2HD2 ASN 38 2HD2 ASN 38 -8.588 -4.379 8.604 316 H SER 39 H SER 39 -10.259 -5.130 5.306 317 HA SER 39 HA SER 39 -9.163 -3.430 3.266 318 1HB SER 39 2HB SER 39 -11.010 -2.023 4.941 319 2HB SER 39 1HB SER 39 -11.241 -2.596 3.290 320 HG SER 39 HG SER 39 -11.645 -4.718 4.392 321 H TYR 40 H TYR 40 -7.258 -2.495 3.679 322 HA TYR 40 HA TYR 40 -6.765 -1.378 6.339 323 1HB TYR 40 2HB TYR 40 -4.468 -1.442 5.860 324 2HB TYR 40 1HB TYR 40 -5.091 -2.905 5.112 325 HD1 TYR 40 1HD TYR 40 -5.380 -3.000 2.638 326 HD2 TYR 40 2HD TYR 40 -3.446 0.268 4.559 327 HE1 TYR 40 1HE TYR 40 -4.385 -2.329 0.488 328 HE2 TYR 40 2HE TYR 40 -2.448 0.947 2.417 329 HH TYR 40 HH TYR 40 -3.492 0.028 -0.473 330 H THR 41 H THR 41 -6.781 0.748 6.721 331 HA THR 41 HA THR 41 -7.318 2.516 4.449 332 HB THR 41 HB THR 41 -9.001 2.581 6.189 333 HG1 THR 41 1HG THR 41 -9.138 4.693 5.993 334 1HG2 THR 41 1HG2 THR 41 -8.235 2.088 8.256 335 2HG2 THR 41 2HG2 THR 41 -7.985 3.829 8.375 336 3HG2 THR 41 3HG2 THR 41 -6.641 2.773 7.941 337 H ILE 42 H ILE 42 -6.267 4.461 4.153 338 HA ILE 42 HA ILE 42 -3.565 4.583 5.233 339 HB ILE 42 HB ILE 42 -4.903 5.846 2.851 340 1HG1 ILE 42 2HG1 ILE 42 -2.229 4.494 2.898 341 2HG1 ILE 42 1HG1 ILE 42 -3.695 3.519 2.961 342 1HG2 ILE 42 1HG2 ILE 42 -2.728 7.038 2.445 343 2HG2 ILE 42 2HG2 ILE 42 -2.299 6.670 4.115 344 3HG2 ILE 42 3HG2 ILE 42 -3.702 7.680 3.769 345 1HD1 ILE 42 1HD1 ILE 42 -2.598 5.164 0.753 346 2HD1 ILE 42 2HD1 ILE 42 -4.348 4.999 0.881 347 3HD1 ILE 42 3HD1 ILE 42 -3.336 3.563 0.718 348 H LYS 43 H LYS 43 -2.841 6.234 6.454 349 HA LYS 43 HA LYS 43 -4.226 7.506 8.311 350 1HB LYS 43 2HB LYS 43 -1.819 8.401 6.784 351 2HB LYS 43 1HB LYS 43 -2.503 9.453 8.015 352 1HG LYS 43 2HG LYS 43 -0.653 8.049 8.848 353 2HG LYS 43 1HG LYS 43 -2.167 7.782 9.710 354 1HD LYS 43 2HD LYS 43 -2.404 5.900 7.807 355 2HD LYS 43 1HD LYS 43 -0.644 5.973 7.929 356 1HE LYS 43 2HE LYS 43 -2.197 4.421 9.493 357 2HE LYS 43 1HE LYS 43 -0.619 5.038 9.980 358 1HZ LYS 43 1HZ LYS 43 -3.173 6.439 10.549 359 2HZ LYS 43 2HZ LYS 43 -1.643 6.799 11.176 360 3HZ LYS 43 3HZ LYS 43 -2.431 5.373 11.634 361 H GLY 44 H GLY 44 -3.908 8.762 5.002 362 1HA GLY 44 2HA GLY 44 -5.987 9.811 4.146 363 2HA GLY 44 1HA GLY 44 -6.055 10.682 5.668 364 H LEU 45 H LEU 45 -5.200 10.883 2.474 365 HA LEU 45 HA LEU 45 -3.169 12.947 2.926 366 1HB LEU 45 2HB LEU 45 -4.034 11.779 0.275 367 2HB LEU 45 1HB LEU 45 -2.605 12.734 0.607 368 HG LEU 45 HG LEU 45 -1.717 10.620 0.443 369 1HD1 LEU 45 1HD1 LEU 45 -0.857 10.073 2.508 370 2HD1 LEU 45 2HD1 LEU 45 -2.372 10.412 3.345 371 3HD1 LEU 45 3HD1 LEU 45 -1.376 11.741 2.755 372 1HD2 LEU 45 1HD2 LEU 45 -3.841 9.442 0.195 373 2HD2 LEU 45 2HD2 LEU 45 -4.087 9.520 1.940 374 3HD2 LEU 45 3HD2 LEU 45 -2.748 8.583 1.279 375 H LYS 46 H LYS 46 -3.729 15.020 2.878 376 HA LYS 46 HA LYS 46 -6.408 15.781 2.115 377 1HB LYS 46 2HB LYS 46 -5.988 17.851 3.175 378 2HB LYS 46 1HB LYS 46 -5.175 16.643 4.158 379 1HG LYS 46 2HG LYS 46 -3.589 17.983 2.043 380 2HG LYS 46 1HG LYS 46 -4.020 18.923 3.472 381 1HD LYS 46 2HD LYS 46 -3.136 16.863 4.779 382 2HD LYS 46 1HD LYS 46 -2.340 16.456 3.258 383 1HE LYS 46 2HE LYS 46 -1.795 19.151 3.615 384 2HE LYS 46 1HE LYS 46 -1.655 18.464 5.232 385 1HZ LYS 46 1HZ LYS 46 -0.394 16.835 3.251 386 2HZ LYS 46 2HZ LYS 46 0.239 17.461 4.689 387 3HZ LYS 46 3HZ LYS 46 0.253 18.399 3.283 388 HA PRO 47 HA PRO 47 -5.936 16.913 -2.124 389 1HB PRO 47 2HB PRO 47 -7.228 19.441 -1.705 390 2HB PRO 47 1HB PRO 47 -7.895 17.976 -2.424 391 1HG PRO 47 2HG PRO 47 -8.128 18.994 0.339 392 2HG PRO 47 1HG PRO 47 -9.209 17.914 -0.560 393 1HD PRO 47 2HD PRO 47 -7.665 17.006 1.434 394 2HD PRO 47 1HD PRO 47 -7.969 16.024 -0.017 395 H GLY 48 H GLY 48 -4.599 18.066 -3.409 396 1HA GLY 48 2HA GLY 48 -3.299 19.923 -4.049 397 2HA GLY 48 1HA GLY 48 -3.333 20.494 -2.392 398 H VAL 49 H VAL 49 -2.568 17.361 -2.019 399 HA VAL 49 HA VAL 49 0.317 17.896 -2.319 400 HB VAL 49 HB VAL 49 -0.408 15.951 -0.253 401 1HG1 VAL 49 1HG1 VAL 49 1.871 16.778 -0.668 402 2HG1 VAL 49 2HG1 VAL 49 1.327 17.112 0.976 403 3HG1 VAL 49 3HG1 VAL 49 1.347 18.404 -0.226 404 1HG2 VAL 49 1HG2 VAL 49 -2.228 17.739 -0.136 405 2HG2 VAL 49 2HG2 VAL 49 -0.945 18.844 0.364 406 3HG2 VAL 49 3HG2 VAL 49 -1.313 17.421 1.339 407 H VAL 50 H VAL 50 1.615 16.347 -3.161 408 HA VAL 50 HA VAL 50 0.297 13.945 -4.217 409 HB VAL 50 HB VAL 50 1.467 15.094 -5.936 410 1HG1 VAL 50 1HG1 VAL 50 2.839 16.562 -4.618 411 2HG1 VAL 50 2HG1 VAL 50 3.861 15.689 -5.760 412 3HG1 VAL 50 3HG1 VAL 50 3.823 15.208 -4.064 413 1HG2 VAL 50 1HG2 VAL 50 3.493 13.508 -6.335 414 2HG2 VAL 50 2HG2 VAL 50 1.853 12.857 -6.339 415 3HG2 VAL 50 3HG2 VAL 50 2.874 12.667 -4.913 416 H TYR 51 H TYR 51 0.583 12.033 -3.169 417 HA TYR 51 HA TYR 51 2.871 11.851 -1.321 418 1HB TYR 51 2HB TYR 51 0.114 10.656 -1.233 419 2HB TYR 51 1HB TYR 51 1.434 9.961 -0.300 420 HD1 TYR 51 1HD TYR 51 1.976 10.833 1.799 421 HD2 TYR 51 2HD TYR 51 -0.410 13.140 -0.861 422 HE1 TYR 51 1HE TYR 51 1.570 12.465 3.591 423 HE2 TYR 51 2HE TYR 51 -0.823 14.781 0.923 424 HH TYR 51 HH TYR 51 -0.614 14.343 3.912 425 H GLU 52 H GLU 52 4.334 10.267 -1.563 426 HA GLU 52 HA GLU 52 3.982 8.468 -3.844 427 1HB GLU 52 2HB GLU 52 6.049 9.404 -4.153 428 2HB GLU 52 1HB GLU 52 6.310 9.656 -2.434 429 1HG GLU 52 2HG GLU 52 7.444 7.757 -2.221 430 2HG GLU 52 1HG GLU 52 6.260 6.843 -3.155 431 H GLY 53 H GLY 53 3.639 6.349 -3.580 432 1HA GLY 53 2HA GLY 53 4.073 5.210 -0.889 433 2HA GLY 53 1HA GLY 53 2.650 4.831 -1.847 434 H GLN 54 H GLN 54 4.665 3.030 -0.731 435 HA GLN 54 HA GLN 54 5.476 1.753 -3.260 436 1HB GLN 54 2HB GLN 54 7.503 2.675 -2.439 437 2HB GLN 54 1HB GLN 54 7.153 2.170 -0.793 438 1HG GLN 54 2HG GLN 54 7.419 -0.172 -1.465 439 2HG GLN 54 1HG GLN 54 7.801 0.353 -3.104 440 1HE2 GLN 54 1HE2 GLN 54 9.877 -0.109 -3.369 441 2HE2 GLN 54 2HE2 GLN 54 11.157 0.375 -2.314 442 H LEU 55 H LEU 55 5.376 -0.466 -3.331 443 HA LEU 55 HA LEU 55 4.233 -1.816 -0.974 444 1HB LEU 55 2HB LEU 55 3.158 -1.533 -3.625 445 2HB LEU 55 1HB LEU 55 3.488 -3.225 -3.305 446 HG LEU 55 HG LEU 55 2.094 -3.109 -1.277 447 1HD1 LEU 55 1HD1 LEU 55 0.724 -0.657 -1.907 448 2HD1 LEU 55 2HD1 LEU 55 2.425 -0.357 -1.554 449 3HD1 LEU 55 3HD1 LEU 55 1.415 -1.201 -0.379 450 1HD2 LEU 55 1HD2 LEU 55 1.078 -3.861 -3.328 451 2HD2 LEU 55 2HD2 LEU 55 0.779 -2.198 -3.832 452 3HD2 LEU 55 3HD2 LEU 55 -0.076 -2.865 -2.442 453 H ILE 56 H ILE 56 5.838 -3.052 -0.196 454 HA ILE 56 HA ILE 56 7.456 -4.592 -2.115 455 HB ILE 56 HB ILE 56 8.162 -3.605 0.649 456 1HG1 ILE 56 2HG1 ILE 56 9.433 -3.104 -2.049 457 2HG1 ILE 56 1HG1 ILE 56 8.359 -1.991 -1.222 458 1HG2 ILE 56 1HG2 ILE 56 10.451 -4.666 -0.140 459 2HG2 ILE 56 2HG2 ILE 56 9.368 -5.739 -1.025 460 3HG2 ILE 56 3HG2 ILE 56 9.242 -5.611 0.729 461 1HD1 ILE 56 1HD1 ILE 56 10.006 -1.188 0.029 462 2HD1 ILE 56 2HD1 ILE 56 11.101 -2.039 -1.059 463 3HD1 ILE 56 3HD1 ILE 56 10.583 -2.802 0.444 464 H SER 57 H SER 57 6.960 -6.693 -2.196 465 HA SER 57 HA SER 57 5.438 -7.921 -0.072 466 1HB SER 57 2HB SER 57 6.564 -9.444 -2.399 467 2HB SER 57 1HB SER 57 5.064 -9.714 -1.510 468 HG SER 57 HG SER 57 4.171 -8.606 -3.045 469 H ILE 58 H ILE 58 6.085 -9.403 1.329 470 HA ILE 58 HA ILE 58 8.941 -10.091 1.393 471 HB ILE 58 HB ILE 58 7.099 -9.277 3.601 472 1HG1 ILE 58 2HG1 ILE 58 9.903 -8.628 2.708 473 2HG1 ILE 58 1HG1 ILE 58 8.506 -7.563 2.760 474 1HG2 ILE 58 1HG2 ILE 58 8.614 -10.210 5.262 475 2HG2 ILE 58 2HG2 ILE 58 9.583 -10.943 3.985 476 3HG2 ILE 58 3HG2 ILE 58 7.928 -11.487 4.259 477 1HD1 ILE 58 1HD1 ILE 58 8.819 -8.357 5.386 478 2HD1 ILE 58 2HD1 ILE 58 9.307 -6.813 4.686 479 3HD1 ILE 58 3HD1 ILE 58 10.468 -8.136 4.801 480 H GLN 59 H GLN 59 9.503 -12.176 1.527 481 HA GLN 59 HA GLN 59 7.367 -14.173 1.632 482 1HB GLN 59 2HB GLN 59 9.716 -13.960 0.111 483 2HB GLN 59 1HB GLN 59 10.024 -15.262 1.250 484 1HG GLN 59 2HG GLN 59 8.137 -15.125 -1.015 485 2HG GLN 59 1HG GLN 59 9.090 -16.477 -0.408 486 1HE2 GLN 59 1HE2 GLN 59 6.103 -14.747 -0.195 487 2HE2 GLN 59 2HE2 GLN 59 5.271 -15.884 0.806 488 H GLN 60 H GLN 60 8.449 -16.367 2.622 489 HA GLN 60 HA GLN 60 8.436 -15.979 5.404 490 1HB GLN 60 2HB GLN 60 9.174 -18.364 5.514 491 2HB GLN 60 1HB GLN 60 7.765 -18.101 4.497 492 1HG GLN 60 2HG GLN 60 8.812 -19.210 2.897 493 2HG GLN 60 1HG GLN 60 9.939 -17.859 2.779 494 1HE2 GLN 60 1HE2 GLN 60 11.790 -18.926 2.372 495 2HE2 GLN 60 2HE2 GLN 60 12.508 -20.082 3.436 496 H TYR 61 H TYR 61 11.013 -16.054 3.061 497 HA TYR 61 HA TYR 61 13.017 -15.928 5.201 498 1HB TYR 61 2HB TYR 61 14.668 -16.494 3.543 499 2HB TYR 61 1HB TYR 61 13.323 -17.618 3.385 500 HD1 TYR 61 1HD TYR 61 11.717 -17.350 1.488 501 HD2 TYR 61 2HD TYR 61 15.300 -15.070 1.750 502 HE1 TYR 61 1HE TYR 61 11.539 -16.806 -0.903 503 HE2 TYR 61 2HE TYR 61 15.130 -14.518 -0.641 504 HH TYR 61 HH TYR 61 13.344 -14.378 -2.378 505 H GLY 62 H GLY 62 11.180 -13.872 3.430 506 1HA GLY 62 2HA GLY 62 11.376 -11.517 3.576 507 2HA GLY 62 1HA GLY 62 13.107 -11.700 3.811 508 H HIS 63 H HIS 63 11.811 -9.905 1.991 509 HA HIS 63 HA HIS 63 12.099 -9.101 -0.115 510 1HB HIS 63 2HB HIS 63 14.424 -9.638 0.043 511 2HB HIS 63 1HB HIS 63 14.113 -11.349 -0.217 512 HD2 HIS 63 2HD HIS 63 14.429 -12.150 -2.754 513 HE1 HIS 63 1HE HIS 63 14.230 -8.325 -4.554 514 HE2 HIS 63 2HE HIS 63 14.795 -10.769 -4.919 515 H GLN 64 H GLN 64 10.696 -9.231 -1.744 516 HA GLN 64 HA GLN 64 10.171 -11.738 -3.077 517 1HB GLN 64 2HB GLN 64 8.313 -10.618 -1.106 518 2HB GLN 64 1HB GLN 64 7.578 -10.977 -2.661 519 1HG GLN 64 2HG GLN 64 8.927 -12.835 -0.750 520 2HG GLN 64 1HG GLN 64 7.283 -12.901 -1.382 521 1HE2 GLN 64 1HE2 GLN 64 10.543 -13.804 -1.852 522 2HE2 GLN 64 2HE2 GLN 64 10.330 -14.676 -3.328 523 H GLU 65 H GLU 65 8.764 -8.499 -2.630 524 HA GLU 65 HA GLU 65 9.131 -7.970 -5.481 525 1HB GLU 65 2HB GLU 65 6.744 -8.911 -4.678 526 2HB GLU 65 1HB GLU 65 6.496 -7.202 -4.347 527 1HG GLU 65 2HG GLU 65 6.622 -6.611 -6.567 528 2HG GLU 65 1HG GLU 65 7.558 -8.041 -7.006 529 H VAL 66 H VAL 66 9.370 -5.819 -5.992 530 HA VAL 66 HA VAL 66 9.041 -3.862 -3.830 531 HB VAL 66 HB VAL 66 11.492 -4.003 -5.594 532 1HG1 VAL 66 1HG1 VAL 66 11.998 -1.925 -4.934 533 2HG1 VAL 66 2HG1 VAL 66 11.574 -2.273 -3.256 534 3HG1 VAL 66 3HG1 VAL 66 10.320 -1.800 -4.403 535 1HG2 VAL 66 1HG2 VAL 66 11.525 -4.282 -2.618 536 2HG2 VAL 66 2HG2 VAL 66 12.703 -4.835 -3.810 537 3HG2 VAL 66 3HG2 VAL 66 11.168 -5.684 -3.628 538 H THR 67 H THR 67 7.667 -2.379 -4.536 539 HA THR 67 HA THR 67 7.940 -1.408 -7.291 540 HB THR 67 HB THR 67 5.543 -2.658 -6.057 541 HG1 THR 67 1HG THR 67 7.022 -2.828 -8.315 542 1HG2 THR 67 1HG2 THR 67 5.354 -0.283 -7.920 543 2HG2 THR 67 2HG2 THR 67 4.729 -0.383 -6.273 544 3HG2 THR 67 3HG2 THR 67 4.023 -1.379 -7.546 545 H ARG 68 H ARG 68 8.195 0.708 -7.318 546 HA ARG 68 HA ARG 68 7.179 2.306 -5.062 547 1HB ARG 68 2HB ARG 68 9.358 3.055 -7.019 548 2HB ARG 68 1HB ARG 68 8.914 3.916 -5.552 549 1HG ARG 68 2HG ARG 68 9.503 1.569 -4.459 550 2HG ARG 68 1HG ARG 68 10.516 1.452 -5.900 551 1HD ARG 68 2HD ARG 68 10.861 4.050 -4.860 552 2HD ARG 68 1HD ARG 68 10.958 2.938 -3.495 553 HE ARG 68 HE ARG 68 12.969 2.211 -4.294 554 1HH1 ARG 68 1HH1 ARG 68 11.269 3.825 -6.873 555 2HH1 ARG 68 2HH1 ARG 68 12.607 3.757 -7.971 556 1HH2 ARG 68 1HH2 ARG 68 14.735 2.117 -5.732 557 2HH2 ARG 68 2HH2 ARG 68 14.578 2.785 -7.322 558 H PHE 69 H PHE 69 5.868 4.069 -5.449 559 HA PHE 69 HA PHE 69 5.469 5.030 -8.144 560 1HB PHE 69 2HB PHE 69 2.999 4.582 -8.090 561 2HB PHE 69 1HB PHE 69 4.011 3.158 -8.293 562 HD1 PHE 69 1HD PHE 69 4.012 1.410 -6.697 563 HD2 PHE 69 2HD PHE 69 1.915 5.027 -5.905 564 HE1 PHE 69 1HE PHE 69 2.892 0.338 -4.786 565 HE2 PHE 69 2HE PHE 69 0.793 3.962 -3.993 566 HZ PHE 69 HZ PHE 69 1.280 1.614 -3.431 567 H ASP 70 H ASP 70 4.806 7.077 -8.228 568 HA ASP 70 HA ASP 70 4.221 8.415 -5.693 569 1HB ASP 70 2HB ASP 70 4.821 10.462 -6.782 570 2HB ASP 70 1HB ASP 70 6.031 9.274 -7.258 571 H PHE 71 H PHE 71 2.257 9.398 -5.309 572 HA PHE 71 HA PHE 71 0.327 9.507 -7.494 573 1HB PHE 71 2HB PHE 71 -1.406 8.386 -6.192 574 2HB PHE 71 1HB PHE 71 -0.017 7.323 -6.411 575 HD1 PHE 71 1HD PHE 71 1.081 6.388 -4.582 576 HD2 PHE 71 2HD PHE 71 -1.698 9.555 -3.960 577 HE1 PHE 71 1HE PHE 71 1.171 5.987 -2.158 578 HE2 PHE 71 2HE PHE 71 -1.607 9.160 -1.532 579 HZ PHE 71 HZ PHE 71 -0.172 7.374 -0.631 580 H THR 72 H THR 72 -1.672 10.724 -6.805 581 HA THR 72 HA THR 72 -0.771 12.973 -5.176 582 HB THR 72 HB THR 72 -2.815 14.123 -6.163 583 HG1 THR 72 1HG THR 72 -2.740 11.775 -7.780 584 1HG2 THR 72 1HG2 THR 72 -0.557 14.563 -6.960 585 2HG2 THR 72 2HG2 THR 72 -1.691 14.546 -8.314 586 3HG2 THR 72 3HG2 THR 72 -0.640 13.157 -8.023 587 H THR 73 H THR 73 -2.477 14.074 -3.897 588 HA THR 73 HA THR 73 -3.322 12.467 -1.855 589 HB THR 73 HB THR 73 -5.086 14.461 -1.558 590 HG1 THR 73 1HG THR 73 -3.679 15.126 -3.751 591 1HG2 THR 73 1HG2 THR 73 -2.457 13.814 -0.700 592 2HG2 THR 73 2HG2 THR 73 -3.674 14.782 0.132 593 3HG2 THR 73 3HG2 THR 73 -2.530 15.556 -0.965 594 H THR 74 H THR 74 -5.672 12.492 -1.073 595 HA THR 74 HA THR 74 -7.198 11.029 -3.087 596 HB THR 74 HB THR 74 -7.818 9.646 -1.439 597 HG1 THR 74 1HG THR 74 -8.124 11.503 0.617 598 1HG2 THR 74 1HG2 THR 74 -5.366 10.306 -0.885 599 2HG2 THR 74 2HG2 THR 74 -6.295 9.406 0.318 600 3HG2 THR 74 3HG2 THR 74 -6.077 11.148 0.499 601 H SER 75 H SER 75 -7.825 13.373 -0.468 602 HA SER 75 HA SER 75 -9.437 14.953 -0.201 603 1HB SER 75 2HB SER 75 -9.593 16.497 -1.928 604 2HB SER 75 1HB SER 75 -8.100 15.655 -2.346 605 HG SER 75 HG SER 75 -10.064 15.982 -3.930 606 H THR 76 H THR 76 -10.248 12.105 -0.791 607 HA THR 76 HA THR 76 -13.077 12.619 -0.930 608 HB THR 76 HB THR 76 -12.732 12.482 -3.293 609 HG1 THR 76 1HG THR 76 -14.109 10.797 -3.719 610 1HG2 THR 76 1HG2 THR 76 -11.768 9.873 -3.748 611 2HG2 THR 76 2HG2 THR 76 -10.678 10.614 -2.576 612 3HG2 THR 76 3HG2 THR 76 -10.972 11.401 -4.127 613 H SER 77 H SER 77 -12.365 11.791 1.262 614 HA SER 77 HA SER 77 -11.583 9.124 1.659 615 1HB SER 77 2HB SER 77 -13.281 10.682 3.600 616 2HB SER 77 1HB SER 77 -12.044 9.475 3.950 617 HG SER 77 HG SER 77 -11.461 11.925 2.660 618 H THR 78 H THR 78 -13.184 7.719 3.179 619 HA THR 78 HA THR 78 -15.381 7.090 1.413 620 HB THR 78 HB THR 78 -13.910 5.260 2.067 621 HG1 THR 78 1HG THR 78 -16.494 5.224 1.996 622 1HG2 THR 78 1HG2 THR 78 -13.268 5.900 4.292 623 2HG2 THR 78 2HG2 THR 78 -14.101 4.347 4.384 624 3HG2 THR 78 3HG2 THR 78 -14.942 5.826 4.847 625 HA PRO 79 HA PRO 79 -17.772 7.871 5.492 626 1HB PRO 79 2HB PRO 79 -16.772 9.690 7.193 627 2HB PRO 79 1HB PRO 79 -16.278 7.994 7.246 628 1HG PRO 79 2HG PRO 79 -14.851 10.348 6.095 629 2HG PRO 79 1HG PRO 79 -14.196 8.963 6.983 630 1HD PRO 79 2HD PRO 79 -14.164 9.236 4.223 631 2HD PRO 79 1HD PRO 79 -14.022 7.699 5.086 632 H GLY 80 H GLY 80 -18.507 10.222 6.652 633 1HA GLY 80 2HA GLY 80 -18.684 12.620 5.921 634 2HA GLY 80 1HA GLY 80 -19.003 11.970 4.320 635 H SER 81 H SER 81 -20.466 9.787 6.116 636 HA SER 81 HA SER 81 -22.902 11.320 6.657 637 1HB SER 81 2HB SER 81 -23.919 9.013 5.549 638 2HB SER 81 1HB SER 81 -23.805 10.571 4.729 639 HG SER 81 HG SER 81 -21.821 8.539 4.688 640 H ARG 82 H ARG 82 -24.620 9.619 7.546 641 HA ARG 82 HA ARG 82 -23.229 8.177 9.695 642 1HB ARG 82 2HB ARG 82 -25.669 9.778 9.551 643 2HB ARG 82 1HB ARG 82 -25.909 8.240 10.368 644 1HG ARG 82 2HG ARG 82 -25.233 9.365 12.179 645 2HG ARG 82 1HG ARG 82 -23.614 9.080 11.533 646 1HD ARG 82 2HD ARG 82 -23.331 11.239 10.930 647 2HD ARG 82 1HD ARG 82 -25.022 11.444 10.476 648 HE ARG 82 HE ARG 82 -23.847 11.876 13.098 649 1HH1 ARG 82 1HH1 ARG 82 -26.740 11.593 11.175 650 2HH1 ARG 82 2HH1 ARG 82 -27.739 12.416 12.326 651 1HH2 ARG 82 1HH2 ARG 82 -25.154 12.959 14.618 652 2HH2 ARG 82 2HH2 ARG 82 -26.837 13.195 14.284 653 H SER 83 H SER 83 -23.047 6.060 9.413 654 HA SER 83 HA SER 83 -25.316 4.598 8.248 655 1HB SER 83 2HB SER 83 -22.902 4.952 6.950 656 2HB SER 83 1HB SER 83 -22.719 3.368 7.705 657 HG SER 83 HG SER 83 -24.175 4.060 5.554 658 H HIS 84 H HIS 84 -24.328 5.105 11.019 659 HA HIS 84 HA HIS 84 -24.219 3.986 12.991 660 1HB HIS 84 2HB HIS 84 -24.920 1.518 11.389 661 2HB HIS 84 1HB HIS 84 -25.091 1.727 13.129 662 HD2 HIS 84 2HD HIS 84 -27.654 1.096 11.098 663 HE1 HIS 84 1HE HIS 84 -28.723 5.049 12.166 664 HE2 HIS 84 2HE HIS 84 -29.587 2.805 11.360 665 H HIS 85 H HIS 85 -22.844 2.621 14.243 666 HA HIS 85 HA HIS 85 -20.808 1.025 13.044 667 1HB HIS 85 2HB HIS 85 -20.282 3.769 13.062 668 2HB HIS 85 1HB HIS 85 -19.389 3.139 14.442 669 HD2 HIS 85 2HD HIS 85 -17.847 4.213 11.747 670 HE1 HIS 85 1HE HIS 85 -17.053 0.094 11.185 671 HE2 HIS 85 2HE HIS 85 -16.270 2.453 10.681 672 H HIS 86 H HIS 86 -19.170 0.324 14.719 673 HA HIS 86 HA HIS 86 -20.504 -0.594 17.022 674 1HB HIS 86 2HB HIS 86 -18.382 -1.534 17.685 675 2HB HIS 86 1HB HIS 86 -18.561 -1.728 15.944 676 HD2 HIS 86 2HD HIS 86 -17.214 0.622 14.575 677 HE1 HIS 86 1HE HIS 86 -14.156 0.444 17.496 678 HE2 HIS 86 2HE HIS 86 -14.874 1.477 15.294 679 H HIS 87 H HIS 87 -19.961 -0.166 19.266 680 HA HIS 87 HA HIS 87 -18.562 2.264 19.924 681 1HB HIS 87 2HB HIS 87 -21.165 2.638 19.242 682 2HB HIS 87 1HB HIS 87 -21.320 2.345 20.970 683 HD2 HIS 87 2HD HIS 87 -19.173 4.061 22.355 684 HE1 HIS 87 1HE HIS 87 -20.191 7.181 19.682 685 HE2 HIS 87 2HE HIS 87 -19.195 6.622 21.946 686 H HIS 88 H HIS 88 -18.112 2.469 22.130 687 HA HIS 88 HA HIS 88 -18.344 -0.023 23.612 688 1HB HIS 88 2HB HIS 88 -16.385 1.980 23.418 689 2HB HIS 88 1HB HIS 88 -17.020 2.102 25.055 690 HD2 HIS 88 2HD HIS 88 -15.880 0.409 26.782 691 HE1 HIS 88 1HE HIS 88 -14.357 -2.329 23.937 692 HE2 HIS 88 2HE HIS 88 -14.607 -1.821 26.409 693 H HIS 89 H HIS 89 -19.459 -0.302 25.488 694 HA HIS 89 HA HIS 89 -21.090 0.013 27.042 695 1HB HIS 89 2HB HIS 89 -19.252 2.091 27.359 696 2HB HIS 89 1HB HIS 89 -20.823 2.884 27.385 697 HD2 HIS 89 2HD HIS 89 -18.742 2.266 30.029 698 HE1 HIS 89 1HE HIS 89 -22.158 0.100 31.276 699 HE2 HIS 89 2HE HIS 89 -20.054 1.290 32.042 Start of MODEL 22 1 1H MET 1 1HT MET 1 -13.161 -12.643 -7.179 2 2H MET 1 2HT MET 1 -11.669 -12.092 -6.603 3 3H MET 1 3HT MET 1 -11.925 -13.748 -6.834 4 HA MET 1 HA MET 1 -11.493 -11.635 -8.831 5 1HB MET 1 2HB MET 1 -10.474 -14.474 -8.673 6 2HB MET 1 1HB MET 1 -9.838 -13.161 -9.654 7 1HG MET 1 2HG MET 1 -9.105 -11.996 -7.653 8 2HG MET 1 1HG MET 1 -9.784 -13.273 -6.647 9 1HE MET 1 1HE MET 1 -6.746 -15.147 -5.922 10 2HE MET 1 2HE MET 1 -8.439 -15.597 -6.116 11 3HE MET 1 3HE MET 1 -8.016 -14.067 -5.350 12 H ARG 2 H ARG 2 -11.250 -13.266 -11.035 13 HA ARG 2 HA ARG 2 -14.059 -13.887 -11.575 14 1HB ARG 2 2HB ARG 2 -12.886 -14.072 -14.002 15 2HB ARG 2 1HB ARG 2 -13.521 -12.574 -13.338 16 1HG ARG 2 2HG ARG 2 -11.493 -11.651 -13.158 17 2HG ARG 2 1HG ARG 2 -10.757 -13.143 -12.568 18 1HD ARG 2 2HD ARG 2 -10.892 -13.999 -14.941 19 2HD ARG 2 1HD ARG 2 -11.322 -12.356 -15.418 20 HE ARG 2 HE ARG 2 -8.880 -12.614 -13.883 21 1HH1 ARG 2 1HH1 ARG 2 -10.342 -12.439 -17.042 22 2HH1 ARG 2 2HH1 ARG 2 -8.881 -11.948 -17.831 23 1HH2 ARG 2 1HH2 ARG 2 -6.954 -11.967 -14.914 24 2HH2 ARG 2 2HH2 ARG 2 -6.956 -11.680 -16.623 25 H GLY 3 H GLY 3 -14.162 -15.927 -10.595 26 1HA GLY 3 2HA GLY 3 -14.183 -18.185 -11.869 27 2HA GLY 3 1HA GLY 3 -12.439 -18.021 -11.729 28 H SER 4 H SER 4 -13.281 -20.240 -10.684 29 HA SER 4 HA SER 4 -13.736 -19.779 -7.818 30 1HB SER 4 2HB SER 4 -15.394 -21.247 -8.717 31 2HB SER 4 1HB SER 4 -14.180 -22.209 -9.560 32 HG SER 4 HG SER 4 -13.544 -22.191 -6.992 33 H ASN 5 H ASN 5 -12.230 -22.548 -9.428 34 HA ASN 5 HA ASN 5 -10.274 -23.647 -9.050 35 1HB ASN 5 2HB ASN 5 -9.626 -20.836 -9.316 36 2HB ASN 5 1HB ASN 5 -8.469 -21.655 -8.271 37 1HD2 ASN 5 1HD2 ASN 5 -9.344 -20.982 -11.425 38 2HD2 ASN 5 2HD2 ASN 5 -8.311 -22.110 -12.230 39 H ALA 6 H ALA 6 -8.143 -23.029 -7.264 40 HA ALA 6 HA ALA 6 -9.061 -24.251 -4.915 41 1HB ALA 6 1HB ALA 6 -6.864 -23.868 -4.021 42 2HB ALA 6 2HB ALA 6 -6.550 -22.609 -5.215 43 3HB ALA 6 3HB ALA 6 -6.714 -24.289 -5.728 44 HA PRO 7 HA PRO 7 -11.131 -20.676 -3.124 45 1HB PRO 7 2HB PRO 7 -11.154 -22.494 -0.771 46 2HB PRO 7 1HB PRO 7 -12.487 -21.619 -1.532 47 1HG PRO 7 2HG PRO 7 -12.223 -24.246 -1.866 48 2HG PRO 7 1HG PRO 7 -12.748 -23.206 -3.204 49 1HD PRO 7 2HD PRO 7 -10.069 -24.435 -2.696 50 2HD PRO 7 1HD PRO 7 -10.939 -24.218 -4.230 51 H GLN 8 H GLN 8 -8.302 -22.317 -2.007 52 HA GLN 8 HA GLN 8 -7.673 -20.067 -0.213 53 1HB GLN 8 2HB GLN 8 -7.669 -22.738 0.382 54 2HB GLN 8 1HB GLN 8 -5.983 -22.465 -0.035 55 1HG GLN 8 2HG GLN 8 -6.099 -20.487 1.584 56 2HG GLN 8 1HG GLN 8 -7.596 -21.222 2.160 57 1HE2 GLN 8 1HE2 GLN 8 -7.293 -23.707 2.491 58 2HE2 GLN 8 2HE2 GLN 8 -5.909 -24.142 3.429 59 HA PRO 9 HA PRO 9 -4.743 -19.360 -3.626 60 1HB PRO 9 2HB PRO 9 -4.456 -16.717 -3.231 61 2HB PRO 9 1HB PRO 9 -5.885 -17.390 -4.028 62 1HG PRO 9 2HG PRO 9 -5.544 -16.505 -1.185 63 2HG PRO 9 1HG PRO 9 -6.890 -16.194 -2.299 64 1HD PRO 9 2HD PRO 9 -6.949 -18.140 -0.392 65 2HD PRO 9 1HD PRO 9 -7.836 -18.254 -1.926 66 H SER 10 H SER 10 -2.524 -18.601 -3.685 67 HA SER 10 HA SER 10 -1.148 -19.131 -1.182 68 1HB SER 10 2HB SER 10 0.837 -18.631 -2.993 69 2HB SER 10 1HB SER 10 0.114 -20.217 -2.721 70 HG SER 10 HG SER 10 -0.353 -20.075 -4.767 71 H HIS 11 H HIS 11 -1.782 -17.184 -0.094 72 HA HIS 11 HA HIS 11 -1.028 -14.619 -1.104 73 1HB HIS 11 2HB HIS 11 -1.566 -13.875 1.257 74 2HB HIS 11 1HB HIS 11 -2.876 -14.669 0.389 75 HD2 HIS 11 2HD HIS 11 -4.146 -16.400 1.958 76 HE1 HIS 11 1HE HIS 11 -0.860 -17.478 4.398 77 HE2 HIS 11 2HE HIS 11 -3.290 -17.952 3.853 78 H ILE 12 H ILE 12 0.394 -13.145 0.170 79 HA ILE 12 HA ILE 12 2.974 -14.425 0.576 80 HB ILE 12 HB ILE 12 2.994 -12.447 -0.779 81 1HG1 ILE 12 2HG1 ILE 12 4.219 -10.865 1.122 82 2HG1 ILE 12 1HG1 ILE 12 4.345 -12.475 1.822 83 1HG2 ILE 12 1HG2 ILE 12 2.317 -10.373 1.029 84 2HG2 ILE 12 2HG2 ILE 12 1.008 -11.554 1.038 85 3HG2 ILE 12 3HG2 ILE 12 1.523 -10.820 -0.481 86 1HD1 ILE 12 1HD1 ILE 12 6.267 -11.714 0.382 87 2HD1 ILE 12 2HD1 ILE 12 5.177 -11.877 -0.994 88 3HD1 ILE 12 3HD1 ILE 12 5.570 -13.286 -0.010 89 H SER 13 H SER 13 4.268 -14.102 2.444 90 HA SER 13 HA SER 13 3.038 -14.495 4.889 91 1HB SER 13 2HB SER 13 5.417 -14.991 4.470 92 2HB SER 13 1HB SER 13 5.760 -13.263 4.387 93 HG SER 13 HG SER 13 4.827 -13.221 6.596 94 H LYS 14 H LYS 14 4.251 -11.479 3.455 95 HA LYS 14 HA LYS 14 2.259 -9.891 4.659 96 1HB LYS 14 2HB LYS 14 3.683 -8.596 6.223 97 2HB LYS 14 1HB LYS 14 3.443 -10.263 6.725 98 1HG LYS 14 2HG LYS 14 5.680 -10.744 5.596 99 2HG LYS 14 1HG LYS 14 5.904 -8.994 5.578 100 1HD LYS 14 2HD LYS 14 5.283 -9.190 8.113 101 2HD LYS 14 1HD LYS 14 5.776 -10.871 7.896 102 1HE LYS 14 2HE LYS 14 7.897 -9.877 6.818 103 2HE LYS 14 1HE LYS 14 7.407 -8.374 7.597 104 1HZ LYS 14 1HZ LYS 14 7.883 -9.170 9.642 105 2HZ LYS 14 2HZ LYS 14 8.957 -10.149 8.776 106 3HZ LYS 14 3HZ LYS 14 7.458 -10.764 9.264 107 H TYR 15 H TYR 15 2.224 -7.825 3.864 108 HA TYR 15 HA TYR 15 4.187 -7.185 1.779 109 1HB TYR 15 2HB TYR 15 1.312 -6.883 2.034 110 2HB TYR 15 1HB TYR 15 2.071 -5.338 1.676 111 HD1 TYR 15 1HD TYR 15 3.500 -5.140 -0.398 112 HD2 TYR 15 2HD TYR 15 1.030 -8.519 0.377 113 HE1 TYR 15 1HE TYR 15 3.610 -5.761 -2.776 114 HE2 TYR 15 2HE TYR 15 1.131 -9.147 -1.998 115 HH TYR 15 HH TYR 15 2.033 -7.150 -4.392 116 H ILE 16 H ILE 16 4.920 -4.933 1.608 117 HA ILE 16 HA ILE 16 4.938 -3.603 4.234 118 HB ILE 16 HB ILE 16 7.148 -4.397 2.693 119 1HG1 ILE 16 2HG1 ILE 16 6.960 -4.130 5.166 120 2HG1 ILE 16 1HG1 ILE 16 8.426 -3.417 4.499 121 1HG2 ILE 16 1HG2 ILE 16 6.507 -1.504 2.276 122 2HG2 ILE 16 2HG2 ILE 16 7.350 -2.645 1.227 123 3HG2 ILE 16 3HG2 ILE 16 8.185 -1.940 2.606 124 1HD1 ILE 16 1HD1 ILE 16 6.571 -1.347 4.479 125 2HD1 ILE 16 2HD1 ILE 16 7.902 -1.572 5.615 126 3HD1 ILE 16 3HD1 ILE 16 6.295 -2.188 6.005 127 H LEU 17 H LEU 17 4.757 -1.408 4.336 128 HA LEU 17 HA LEU 17 4.061 -0.054 1.836 129 1HB LEU 17 2HB LEU 17 2.227 -0.660 3.787 130 2HB LEU 17 1HB LEU 17 2.707 0.970 4.221 131 HG LEU 17 HG LEU 17 2.268 1.463 1.676 132 1HD1 LEU 17 1HD1 LEU 17 1.865 -0.967 1.194 133 2HD1 LEU 17 2HD1 LEU 17 0.583 0.124 0.666 134 3HD1 LEU 17 3HD1 LEU 17 0.376 -0.836 2.131 135 1HD2 LEU 17 1HD2 LEU 17 1.045 2.266 3.788 136 2HD2 LEU 17 2HD2 LEU 17 -0.149 1.029 3.400 137 3HD2 LEU 17 3HD2 LEU 17 0.178 2.327 2.253 138 H ARG 18 H ARG 18 5.646 1.304 1.527 139 HA ARG 18 HA ARG 18 6.617 2.888 3.806 140 1HB ARG 18 2HB ARG 18 8.230 2.107 1.371 141 2HB ARG 18 1HB ARG 18 8.817 2.931 2.811 142 1HG ARG 18 2HG ARG 18 8.760 1.002 4.092 143 2HG ARG 18 1HG ARG 18 7.621 0.198 3.008 144 1HD ARG 18 2HD ARG 18 9.390 -0.839 2.135 145 2HD ARG 18 1HD ARG 18 9.796 0.708 1.391 146 HE ARG 18 HE ARG 18 10.960 -0.368 3.867 147 1HH1 ARG 18 1HH1 ARG 18 10.981 1.923 1.241 148 2HH1 ARG 18 2HH1 ARG 18 12.549 2.549 1.629 149 1HH2 ARG 18 1HH2 ARG 18 13.026 0.452 4.386 150 2HH2 ARG 18 2HH2 ARG 18 13.710 1.713 3.415 151 H TRP 19 H TRP 19 6.230 5.027 3.549 152 HA TRP 19 HA TRP 19 6.338 6.172 0.921 153 1HB TRP 19 2HB TRP 19 4.107 6.497 0.466 154 2HB TRP 19 1HB TRP 19 4.075 4.918 1.238 155 HD1 TRP 19 HD TRP 19 2.962 8.469 1.661 156 HE1 TRP 19 1HE TRP 19 1.342 8.641 3.665 157 HE3 TRP 19 3HE TRP 19 3.552 3.775 3.540 158 HZ2 TRP 19 2HZ TRP 19 0.439 6.974 5.767 159 HZ3 TRP 19 3HZ TRP 19 2.278 3.128 5.544 160 HH2 TRP 19 HH TRP 19 0.754 4.695 6.633 161 H ARG 20 H ARG 20 6.118 8.402 0.811 162 HA ARG 20 HA ARG 20 5.656 9.979 3.158 163 1HB ARG 20 2HB ARG 20 7.791 10.713 3.634 164 2HB ARG 20 1HB ARG 20 8.118 9.043 3.197 165 1HG ARG 20 2HG ARG 20 8.205 10.697 0.855 166 2HG ARG 20 1HG ARG 20 9.258 11.356 2.110 167 1HD ARG 20 2HD ARG 20 10.056 8.899 2.360 168 2HD ARG 20 1HD ARG 20 9.359 8.691 0.754 169 HE ARG 20 HE ARG 20 11.048 9.997 -0.131 170 1HH1 ARG 20 1HH1 ARG 20 11.177 10.046 3.349 171 2HH1 ARG 20 2HH1 ARG 20 12.745 10.779 3.410 172 1HH2 ARG 20 1HH2 ARG 20 13.117 10.961 -0.060 173 2HH2 ARG 20 2HH2 ARG 20 13.847 11.300 1.474 174 HA PRO 21 HA PRO 21 4.578 13.100 0.220 175 1HB PRO 21 2HB PRO 21 5.973 15.295 1.142 176 2HB PRO 21 1HB PRO 21 4.408 14.757 1.762 177 1HG PRO 21 2HG PRO 21 7.141 14.270 2.813 178 2HG PRO 21 1HG PRO 21 5.648 14.625 3.707 179 1HD PRO 21 2HD PRO 21 6.667 12.162 3.586 180 2HD PRO 21 1HD PRO 21 4.914 12.436 3.542 181 H LYS 22 H LYS 22 5.204 13.176 -1.737 182 HA LYS 22 HA LYS 22 7.834 12.689 -2.604 183 1HB LYS 22 2HB LYS 22 5.472 12.377 -3.714 184 2HB LYS 22 1HB LYS 22 5.809 13.983 -4.369 185 1HG LYS 22 2HG LYS 22 7.855 13.143 -5.386 186 2HG LYS 22 1HG LYS 22 7.569 11.550 -4.679 187 1HD LYS 22 2HD LYS 22 5.568 11.276 -5.987 188 2HD LYS 22 1HD LYS 22 5.703 12.921 -6.610 189 1HE LYS 22 2HE LYS 22 7.741 12.362 -7.770 190 2HE LYS 22 1HE LYS 22 7.750 10.752 -7.050 191 1HZ LYS 22 1HZ LYS 22 6.872 11.029 -9.425 192 2HZ LYS 22 2HZ LYS 22 5.476 11.649 -8.699 193 3HZ LYS 22 3HZ LYS 22 5.979 10.072 -8.352 194 H ASN 23 H ASN 23 5.883 15.661 -2.484 195 HA ASN 23 HA ASN 23 8.097 17.236 -3.514 196 1HB ASN 23 2HB ASN 23 5.208 17.598 -3.189 197 2HB ASN 23 1HB ASN 23 6.146 19.037 -2.807 198 1HD2 ASN 23 1HD2 ASN 23 7.278 20.076 -4.412 199 2HD2 ASN 23 2HD2 ASN 23 7.051 19.731 -6.090 200 H SER 24 H SER 24 6.369 16.776 -0.473 201 HA SER 24 HA SER 24 7.859 18.888 0.833 202 1HB SER 24 2HB SER 24 5.657 17.035 1.626 203 2HB SER 24 1HB SER 24 6.636 17.769 2.896 204 HG SER 24 HG SER 24 4.717 18.884 1.323 205 H VAL 25 H VAL 25 8.244 15.553 0.251 206 HA VAL 25 HA VAL 25 9.508 13.897 1.243 207 HB VAL 25 HB VAL 25 11.016 14.865 -0.347 208 1HG1 VAL 25 1HG1 VAL 25 12.620 16.585 1.269 209 2HG1 VAL 25 2HG1 VAL 25 10.943 17.127 1.334 210 3HG1 VAL 25 3HG1 VAL 25 11.752 16.951 -0.222 211 1HG2 VAL 25 1HG2 VAL 25 12.463 13.394 0.477 212 2HG2 VAL 25 2HG2 VAL 25 11.914 13.686 2.127 213 3HG2 VAL 25 3HG2 VAL 25 13.164 14.709 1.421 214 H GLY 26 H GLY 26 8.645 13.670 3.312 215 1HA GLY 26 2HA GLY 26 10.064 15.108 5.459 216 2HA GLY 26 1HA GLY 26 8.466 14.395 5.614 217 H ARG 27 H ARG 27 8.298 12.404 6.453 218 HA ARG 27 HA ARG 27 10.780 10.845 6.763 219 1HB ARG 27 2HB ARG 27 9.940 10.041 8.899 220 2HB ARG 27 1HB ARG 27 9.992 11.799 8.892 221 1HG ARG 27 2HG ARG 27 7.449 10.470 8.126 222 2HG ARG 27 1HG ARG 27 7.916 10.476 9.828 223 1HD ARG 27 2HD ARG 27 7.553 12.689 10.050 224 2HD ARG 27 1HD ARG 27 8.187 13.057 8.447 225 HE ARG 27 HE ARG 27 5.845 11.878 7.873 226 1HH1 ARG 27 1HH1 ARG 27 6.684 14.435 10.088 227 2HH1 ARG 27 2HH1 ARG 27 5.145 15.221 9.964 228 1HH2 ARG 27 1HH2 ARG 27 3.818 12.905 7.707 229 2HH2 ARG 27 2HH2 ARG 27 3.517 14.351 8.612 230 H TRP 28 H TRP 28 10.604 8.562 6.747 231 HA TRP 28 HA TRP 28 8.713 7.567 4.845 232 1HB TRP 28 2HB TRP 28 10.995 6.403 6.396 233 2HB TRP 28 1HB TRP 28 9.862 5.323 5.596 234 HD1 TRP 28 HD TRP 28 13.003 7.073 4.979 235 HE1 TRP 28 1HE TRP 28 13.555 7.138 2.467 236 HE3 TRP 28 3HE TRP 28 8.443 5.715 3.114 237 HZ2 TRP 28 2HZ TRP 28 12.229 6.675 0.016 238 HZ3 TRP 28 3HZ TRP 28 8.167 5.550 0.675 239 HH2 TRP 28 HH TRP 28 10.022 6.021 -0.842 240 H LYS 29 H LYS 29 7.168 5.912 5.153 241 HA LYS 29 HA LYS 29 6.275 5.543 7.941 242 1HB LYS 29 2HB LYS 29 4.622 5.936 5.443 243 2HB LYS 29 1HB LYS 29 3.952 5.346 6.957 244 1HG LYS 29 2HG LYS 29 5.493 7.824 7.201 245 2HG LYS 29 1HG LYS 29 4.044 7.951 6.202 246 1HD LYS 29 2HD LYS 29 2.809 8.069 8.044 247 2HD LYS 29 1HD LYS 29 3.346 6.447 8.489 248 1HE LYS 29 2HE LYS 29 4.717 9.044 9.181 249 2HE LYS 29 1HE LYS 29 3.801 8.019 10.284 250 1HZ LYS 29 1HZ LYS 29 6.245 7.140 8.848 251 2HZ LYS 29 2HZ LYS 29 5.422 6.302 10.065 252 3HZ LYS 29 3HZ LYS 29 6.241 7.735 10.432 253 H GLU 30 H GLU 30 5.713 3.446 8.536 254 HA GLU 30 HA GLU 30 6.080 1.401 6.443 255 1HB GLU 30 2HB GLU 30 6.681 0.688 9.258 256 2HB GLU 30 1HB GLU 30 7.450 0.152 7.770 257 1HG GLU 30 2HG GLU 30 9.137 1.484 8.302 258 2HG GLU 30 1HG GLU 30 8.079 2.836 7.899 259 H ALA 31 H ALA 31 4.516 -0.022 6.163 260 HA ALA 31 HA ALA 31 2.668 -0.642 8.345 261 1HB ALA 31 1HB ALA 31 0.879 -0.545 6.349 262 2HB ALA 31 2HB ALA 31 1.963 0.745 5.831 263 3HB ALA 31 3HB ALA 31 1.202 0.818 7.421 264 H THR 32 H THR 32 2.743 -2.795 8.549 265 HA THR 32 HA THR 32 3.335 -4.427 6.191 266 HB THR 32 HB THR 32 3.104 -5.603 8.930 267 HG1 THR 32 1HG THR 32 5.089 -4.847 9.499 268 1HG2 THR 32 1HG2 THR 32 4.501 -6.202 6.365 269 2HG2 THR 32 2HG2 THR 32 3.606 -7.277 7.440 270 3HG2 THR 32 3HG2 THR 32 5.234 -6.755 7.871 271 H ILE 33 H ILE 33 1.730 -5.328 5.115 272 HA ILE 33 HA ILE 33 -0.658 -6.209 6.592 273 HB ILE 33 HB ILE 33 -1.517 -5.641 3.989 274 1HG1 ILE 33 2HG1 ILE 33 0.607 -4.196 3.924 275 2HG1 ILE 33 1HG1 ILE 33 -0.909 -3.421 3.484 276 1HG2 ILE 33 1HG2 ILE 33 -3.000 -5.467 5.786 277 2HG2 ILE 33 2HG2 ILE 33 -2.807 -3.813 5.206 278 3HG2 ILE 33 3HG2 ILE 33 -1.956 -4.344 6.656 279 1HD1 ILE 33 1HD1 ILE 33 0.914 -2.428 5.228 280 2HD1 ILE 33 2HD1 ILE 33 -0.242 -3.196 6.316 281 3HD1 ILE 33 3HD1 ILE 33 -0.789 -1.972 5.171 282 HA PRO 34 HA PRO 34 0.716 -10.107 4.762 283 1HB PRO 34 2HB PRO 34 -2.018 -10.845 5.696 284 2HB PRO 34 1HB PRO 34 -0.481 -11.684 5.938 285 1HG PRO 34 2HG PRO 34 -1.585 -10.299 7.920 286 2HG PRO 34 1HG PRO 34 0.169 -10.271 7.662 287 1HD PRO 34 2HD PRO 34 -1.877 -8.195 7.017 288 2HD PRO 34 1HD PRO 34 -0.207 -7.997 7.586 289 H GLY 35 H GLY 35 -0.409 -11.746 3.287 290 1HA GLY 35 2HA GLY 35 -1.020 -10.704 0.859 291 2HA GLY 35 1HA GLY 35 -1.617 -12.266 1.394 292 H HIS 36 H HIS 36 -2.358 -8.954 0.818 293 HA HIS 36 HA HIS 36 -4.302 -7.723 1.262 294 1HB HIS 36 2HB HIS 36 -6.044 -8.684 -0.439 295 2HB HIS 36 1HB HIS 36 -4.521 -8.015 -1.010 296 HD2 HIS 36 2HD HIS 36 -5.801 -11.651 -0.101 297 HE1 HIS 36 1HE HIS 36 -3.248 -11.771 -3.474 298 HE2 HIS 36 2HE HIS 36 -4.596 -13.158 -1.834 299 H LEU 37 H LEU 37 -4.599 -8.501 3.523 300 HA LEU 37 HA LEU 37 -6.444 -10.600 4.062 301 1HB LEU 37 2HB LEU 37 -6.617 -9.066 6.292 302 2HB LEU 37 1HB LEU 37 -5.392 -10.285 6.019 303 HG LEU 37 HG LEU 37 -3.801 -8.583 5.315 304 1HD1 LEU 37 1HD1 LEU 37 -4.387 -6.183 5.550 305 2HD1 LEU 37 2HD1 LEU 37 -6.073 -6.654 5.763 306 3HD1 LEU 37 3HD1 LEU 37 -5.250 -6.992 4.242 307 1HD2 LEU 37 1HD2 LEU 37 -5.219 -8.093 7.918 308 2HD2 LEU 37 2HD2 LEU 37 -3.720 -7.276 7.479 309 3HD2 LEU 37 3HD2 LEU 37 -3.755 -9.033 7.628 310 H ASN 38 H ASN 38 -6.729 -7.206 3.389 311 HA ASN 38 HA ASN 38 -9.461 -7.366 2.742 312 1HB ASN 38 2HB ASN 38 -10.477 -6.090 4.523 313 2HB ASN 38 1HB ASN 38 -9.668 -7.484 5.231 314 1HD2 ASN 38 1HD2 ASN 38 -9.666 -4.038 4.882 315 2HD2 ASN 38 2HD2 ASN 38 -8.495 -3.707 6.107 316 H SER 39 H SER 39 -10.234 -4.715 3.227 317 HA SER 39 HA SER 39 -8.500 -3.353 1.325 318 1HB SER 39 2HB SER 39 -11.089 -2.306 2.471 319 2HB SER 39 1HB SER 39 -10.302 -1.844 0.962 320 HG SER 39 HG SER 39 -11.297 -3.425 0.019 321 H TYR 40 H TYR 40 -6.784 -2.388 2.229 322 HA TYR 40 HA TYR 40 -7.244 -0.726 4.618 323 1HB TYR 40 2HB TYR 40 -5.731 -2.498 5.198 324 2HB TYR 40 1HB TYR 40 -4.763 -2.220 3.752 325 HD1 TYR 40 1HD TYR 40 -5.875 -0.507 6.876 326 HD2 TYR 40 2HD TYR 40 -2.861 -0.886 3.894 327 HE1 TYR 40 1HE TYR 40 -4.435 1.030 8.144 328 HE2 TYR 40 2HE TYR 40 -1.414 0.651 5.156 329 HH TYR 40 HH TYR 40 -1.597 1.312 8.146 330 H THR 41 H THR 41 -7.332 1.351 4.096 331 HA THR 41 HA THR 41 -5.400 2.381 2.127 332 HB THR 41 HB THR 41 -7.038 3.948 1.272 333 HG1 THR 41 1HG THR 41 -9.326 3.052 2.219 334 1HG2 THR 41 1HG2 THR 41 -7.204 1.125 0.971 335 2HG2 THR 41 2HG2 THR 41 -7.616 2.380 -0.198 336 3HG2 THR 41 3HG2 THR 41 -8.840 1.779 0.919 337 H ILE 42 H ILE 42 -4.561 4.431 2.516 338 HA ILE 42 HA ILE 42 -4.594 5.250 5.286 339 HB ILE 42 HB ILE 42 -3.210 6.748 3.077 340 1HG1 ILE 42 2HG1 ILE 42 -1.552 4.767 4.426 341 2HG1 ILE 42 1HG1 ILE 42 -2.858 4.023 3.508 342 1HG2 ILE 42 1HG2 ILE 42 -2.119 7.801 4.719 343 2HG2 ILE 42 2HG2 ILE 42 -1.854 6.310 5.623 344 3HG2 ILE 42 3HG2 ILE 42 -3.384 7.174 5.776 345 1HD1 ILE 42 1HD1 ILE 42 -0.410 4.888 2.538 346 2HD1 ILE 42 2HD1 ILE 42 -1.567 6.097 1.981 347 3HD1 ILE 42 3HD1 ILE 42 -1.814 4.395 1.592 348 H LYS 43 H LYS 43 -5.777 6.856 6.137 349 HA LYS 43 HA LYS 43 -7.100 8.727 4.285 350 1HB LYS 43 2HB LYS 43 -8.269 7.661 6.856 351 2HB LYS 43 1HB LYS 43 -9.070 8.696 5.679 352 1HG LYS 43 2HG LYS 43 -9.774 6.926 4.558 353 2HG LYS 43 1HG LYS 43 -8.109 6.373 4.352 354 1HD LYS 43 2HD LYS 43 -8.342 4.784 5.911 355 2HD LYS 43 1HD LYS 43 -9.120 5.897 7.038 356 1HE LYS 43 2HE LYS 43 -10.871 5.275 4.834 357 2HE LYS 43 1HE LYS 43 -10.311 3.801 5.622 358 1HZ LYS 43 1HZ LYS 43 -12.281 4.497 6.711 359 2HZ LYS 43 2HZ LYS 43 -11.726 6.086 6.878 360 3HZ LYS 43 3HZ LYS 43 -11.003 4.841 7.764 361 H GLY 44 H GLY 44 -8.311 10.356 6.170 362 1HA GLY 44 2HA GLY 44 -7.913 12.110 7.611 363 2HA GLY 44 1HA GLY 44 -6.469 11.264 8.152 364 H LEU 45 H LEU 45 -6.937 11.917 4.786 365 HA LEU 45 HA LEU 45 -4.959 14.093 4.936 366 1HB LEU 45 2HB LEU 45 -4.892 12.607 2.436 367 2HB LEU 45 1HB LEU 45 -3.584 13.075 3.505 368 HG LEU 45 HG LEU 45 -5.188 10.857 4.550 369 1HD1 LEU 45 1HD1 LEU 45 -3.390 9.902 2.452 370 2HD1 LEU 45 2HD1 LEU 45 -4.835 10.718 1.850 371 3HD1 LEU 45 3HD1 LEU 45 -4.991 9.329 2.926 372 1HD2 LEU 45 1HD2 LEU 45 -2.465 11.841 4.530 373 2HD2 LEU 45 2HD2 LEU 45 -2.558 10.092 4.289 374 3HD2 LEU 45 3HD2 LEU 45 -3.297 10.827 5.712 375 H LYS 46 H LYS 46 -4.845 15.086 2.531 376 HA LYS 46 HA LYS 46 -7.567 15.470 1.541 377 1HB LYS 46 2HB LYS 46 -7.712 17.501 2.443 378 2HB LYS 46 1HB LYS 46 -6.066 17.394 3.040 379 1HG LYS 46 2HG LYS 46 -6.000 17.957 0.240 380 2HG LYS 46 1HG LYS 46 -7.094 19.087 1.039 381 1HD LYS 46 2HD LYS 46 -4.818 18.833 2.689 382 2HD LYS 46 1HD LYS 46 -4.236 19.043 1.036 383 1HE LYS 46 2HE LYS 46 -6.136 20.839 2.538 384 2HE LYS 46 1HE LYS 46 -4.475 21.204 2.074 385 1HZ LYS 46 1HZ LYS 46 -5.154 21.882 0.092 386 2HZ LYS 46 2HZ LYS 46 -6.753 21.734 0.622 387 3HZ LYS 46 3HZ LYS 46 -6.010 20.449 -0.190 388 HA PRO 47 HA PRO 47 -5.631 15.020 -2.404 389 1HB PRO 47 2HB PRO 47 -7.456 16.325 -3.955 390 2HB PRO 47 1HB PRO 47 -7.719 14.702 -3.305 391 1HG PRO 47 2HG PRO 47 -8.694 17.338 -2.269 392 2HG PRO 47 1HG PRO 47 -9.577 15.808 -2.436 393 1HD PRO 47 2HD PRO 47 -8.594 16.622 -0.069 394 2HD PRO 47 1HD PRO 47 -8.625 14.906 -0.528 395 H GLY 48 H GLY 48 -3.772 16.223 -2.440 396 1HA GLY 48 2HA GLY 48 -3.546 18.471 -3.994 397 2HA GLY 48 1HA GLY 48 -3.797 19.088 -2.371 398 H VAL 49 H VAL 49 -2.277 16.430 -1.555 399 HA VAL 49 HA VAL 49 0.402 17.598 -1.969 400 HB VAL 49 HB VAL 49 -0.154 15.721 0.262 401 1HG1 VAL 49 1HG1 VAL 49 1.665 18.085 0.340 402 2HG1 VAL 49 2HG1 VAL 49 2.137 16.634 -0.554 403 3HG1 VAL 49 3HG1 VAL 49 1.795 16.537 1.177 404 1HG2 VAL 49 1HG2 VAL 49 -0.315 18.335 1.315 405 2HG2 VAL 49 2HG2 VAL 49 -1.526 17.045 1.359 406 3HG2 VAL 49 3HG2 VAL 49 -1.505 18.200 0.018 407 H VAL 50 H VAL 50 2.038 16.299 -2.619 408 HA VAL 50 HA VAL 50 1.306 13.768 -3.764 409 HB VAL 50 HB VAL 50 4.165 14.307 -3.513 410 1HG1 VAL 50 1HG1 VAL 50 2.375 12.973 -5.245 411 2HG1 VAL 50 2HG1 VAL 50 4.138 12.979 -5.290 412 3HG1 VAL 50 3HG1 VAL 50 3.229 14.186 -6.198 413 1HG2 VAL 50 1HG2 VAL 50 3.348 16.621 -3.667 414 2HG2 VAL 50 2HG2 VAL 50 2.508 16.205 -5.161 415 3HG2 VAL 50 3HG2 VAL 50 4.270 16.129 -5.087 416 H TYR 51 H TYR 51 2.027 11.769 -3.158 417 HA TYR 51 HA TYR 51 3.488 11.432 -0.653 418 1HB TYR 51 2HB TYR 51 0.630 10.909 -1.043 419 2HB TYR 51 1HB TYR 51 1.502 9.478 -0.527 420 HD1 TYR 51 1HD TYR 51 -0.499 10.118 1.200 421 HD2 TYR 51 2HD TYR 51 3.266 12.039 0.981 422 HE1 TYR 51 1HE TYR 51 -0.736 10.852 3.533 423 HE2 TYR 51 2HE TYR 51 3.048 12.807 3.294 424 HH TYR 51 HH TYR 51 1.499 11.689 5.443 425 H GLU 52 H GLU 52 5.222 10.375 -1.612 426 HA GLU 52 HA GLU 52 4.717 8.423 -3.682 427 1HB GLU 52 2HB GLU 52 7.093 8.110 -3.767 428 2HB GLU 52 1HB GLU 52 6.797 9.833 -3.573 429 1HG GLU 52 2HG GLU 52 7.177 9.478 -1.099 430 2HG GLU 52 1HG GLU 52 7.771 7.875 -1.520 431 H GLY 53 H GLY 53 4.271 6.315 -3.393 432 1HA GLY 53 2HA GLY 53 4.820 5.172 -0.725 433 2HA GLY 53 1HA GLY 53 3.307 4.891 -1.568 434 H GLN 54 H GLN 54 5.207 2.959 -0.542 435 HA GLN 54 HA GLN 54 5.729 1.560 -3.082 436 1HB GLN 54 2HB GLN 54 7.657 1.206 -0.830 437 2HB GLN 54 1HB GLN 54 7.903 0.993 -2.558 438 1HG GLN 54 2HG GLN 54 7.741 3.467 -2.809 439 2HG GLN 54 1HG GLN 54 7.714 3.584 -1.049 440 1HE2 GLN 54 1HE2 GLN 54 9.554 2.090 -0.078 441 2HE2 GLN 54 2HE2 GLN 54 11.119 2.390 -0.748 442 H LEU 55 H LEU 55 5.375 -0.614 -3.085 443 HA LEU 55 HA LEU 55 4.442 -1.804 -0.559 444 1HB LEU 55 2HB LEU 55 3.167 -1.675 -3.200 445 2HB LEU 55 1HB LEU 55 3.209 -3.286 -2.510 446 HG LEU 55 HG LEU 55 2.199 -0.990 -0.877 447 1HD1 LEU 55 1HD1 LEU 55 -0.068 -1.480 -1.684 448 2HD1 LEU 55 2HD1 LEU 55 0.612 -2.566 -2.895 449 3HD1 LEU 55 3HD1 LEU 55 0.968 -0.840 -2.958 450 1HD2 LEU 55 1HD2 LEU 55 2.616 -3.138 0.214 451 2HD2 LEU 55 2HD2 LEU 55 1.536 -3.928 -0.935 452 3HD2 LEU 55 3HD2 LEU 55 0.899 -2.738 0.199 453 H ILE 56 H ILE 56 6.062 -3.089 0.059 454 HA ILE 56 HA ILE 56 7.290 -4.818 -1.978 455 HB ILE 56 HB ILE 56 8.487 -3.609 0.502 456 1HG1 ILE 56 2HG1 ILE 56 10.269 -3.006 -1.216 457 2HG1 ILE 56 1HG1 ILE 56 9.132 -3.542 -2.448 458 1HG2 ILE 56 1HG2 ILE 56 9.615 -5.511 0.813 459 2HG2 ILE 56 2HG2 ILE 56 10.495 -5.090 -0.656 460 3HG2 ILE 56 3HG2 ILE 56 9.103 -6.168 -0.741 461 1HD1 ILE 56 1HD1 ILE 56 8.378 -1.464 -0.429 462 2HD1 ILE 56 2HD1 ILE 56 7.662 -1.793 -2.008 463 3HD1 ILE 56 3HD1 ILE 56 9.258 -1.048 -1.900 464 H SER 57 H SER 57 6.743 -6.868 -1.848 465 HA SER 57 HA SER 57 5.513 -7.940 0.522 466 1HB SER 57 2HB SER 57 5.362 -8.476 -2.212 467 2HB SER 57 1HB SER 57 6.118 -9.905 -1.510 468 HG SER 57 HG SER 57 4.068 -10.360 -1.159 469 H ILE 58 H ILE 58 6.358 -9.228 1.937 470 HA ILE 58 HA ILE 58 9.122 -10.163 1.652 471 HB ILE 58 HB ILE 58 7.737 -9.319 4.201 472 1HG1 ILE 58 2HG1 ILE 58 10.138 -7.978 2.998 473 2HG1 ILE 58 1HG1 ILE 58 8.522 -7.553 2.441 474 1HG2 ILE 58 1HG2 ILE 58 10.117 -10.890 3.678 475 2HG2 ILE 58 2HG2 ILE 58 9.251 -10.620 5.191 476 3HG2 ILE 58 3HG2 ILE 58 10.464 -9.459 4.651 477 1HD1 ILE 58 1HD1 ILE 58 7.944 -6.590 4.445 478 2HD1 ILE 58 2HD1 ILE 58 9.657 -6.188 4.332 479 3HD1 ILE 58 3HD1 ILE 58 9.129 -7.522 5.359 480 H GLN 59 H GLN 59 9.517 -12.294 2.008 481 HA GLN 59 HA GLN 59 7.306 -13.919 3.094 482 1HB GLN 59 2HB GLN 59 8.936 -14.278 0.691 483 2HB GLN 59 1HB GLN 59 8.890 -15.703 1.716 484 1HG GLN 59 2HG GLN 59 6.259 -14.584 1.426 485 2HG GLN 59 1HG GLN 59 6.987 -14.893 -0.149 486 1HE2 GLN 59 1HE2 GLN 59 5.767 -16.279 2.769 487 2HE2 GLN 59 2HE2 GLN 59 5.799 -17.927 2.252 488 H GLN 60 H GLN 60 8.452 -16.249 3.607 489 HA GLN 60 HA GLN 60 9.927 -15.783 5.967 490 1HB GLN 60 2HB GLN 60 9.710 -18.378 4.431 491 2HB GLN 60 1HB GLN 60 10.112 -18.194 6.133 492 1HG GLN 60 2HG GLN 60 7.515 -17.133 5.135 493 2HG GLN 60 1HG GLN 60 7.701 -18.868 5.383 494 1HE2 GLN 60 1HE2 GLN 60 6.565 -19.258 7.165 495 2HE2 GLN 60 2HE2 GLN 60 6.784 -18.466 8.685 496 H TYR 61 H TYR 61 10.867 -15.854 2.728 497 HA TYR 61 HA TYR 61 13.656 -16.510 3.377 498 1HB TYR 61 2HB TYR 61 12.311 -16.224 0.681 499 2HB TYR 61 1HB TYR 61 13.987 -16.691 0.943 500 HD1 TYR 61 1HD TYR 61 14.543 -18.942 1.157 501 HD2 TYR 61 2HD TYR 61 10.500 -17.747 1.725 502 HE1 TYR 61 1HE TYR 61 13.868 -21.304 1.283 503 HE2 TYR 61 2HE TYR 61 9.814 -20.104 1.855 504 HH TYR 61 HH TYR 61 12.086 -22.668 2.124 505 H GLY 62 H GLY 62 11.677 -13.867 3.127 506 1HA GLY 62 2HA GLY 62 12.181 -11.615 3.201 507 2HA GLY 62 1HA GLY 62 13.884 -12.039 3.113 508 H HIS 63 H HIS 63 12.202 -9.971 1.716 509 HA HIS 63 HA HIS 63 12.096 -8.966 -0.321 510 1HB HIS 63 2HB HIS 63 14.263 -10.913 -1.136 511 2HB HIS 63 1HB HIS 63 13.885 -9.370 -1.896 512 HD2 HIS 63 2HD HIS 63 16.164 -10.802 0.751 513 HE1 HIS 63 1HE HIS 63 16.141 -6.602 1.269 514 HE2 HIS 63 2HE HIS 63 17.412 -8.748 1.728 515 H GLN 64 H GLN 64 10.200 -9.360 -1.310 516 HA GLN 64 HA GLN 64 10.014 -11.815 -2.900 517 1HB GLN 64 2HB GLN 64 7.921 -10.642 -1.111 518 2HB GLN 64 1HB GLN 64 7.527 -11.763 -2.406 519 1HG GLN 64 2HG GLN 64 9.220 -12.257 0.016 520 2HG GLN 64 1HG GLN 64 7.700 -13.030 -0.432 521 1HE2 GLN 64 1HE2 GLN 64 10.699 -13.799 -0.022 522 2HE2 GLN 64 2HE2 GLN 64 10.982 -14.893 -1.329 523 H GLU 65 H GLU 65 8.046 -8.895 -2.413 524 HA GLU 65 HA GLU 65 8.184 -8.414 -5.313 525 1HB GLU 65 2HB GLU 65 5.960 -9.345 -4.089 526 2HB GLU 65 1HB GLU 65 5.710 -7.612 -3.910 527 1HG GLU 65 2HG GLU 65 6.534 -8.422 -6.597 528 2HG GLU 65 1HG GLU 65 4.991 -9.101 -6.079 529 H VAL 66 H VAL 66 8.146 -6.316 -6.013 530 HA VAL 66 HA VAL 66 8.166 -4.221 -3.968 531 HB VAL 66 HB VAL 66 10.448 -4.424 -4.220 532 1HG1 VAL 66 1HG1 VAL 66 11.611 -5.126 -6.106 533 2HG1 VAL 66 2HG1 VAL 66 10.300 -4.675 -7.198 534 3HG1 VAL 66 3HG1 VAL 66 10.124 -6.075 -6.137 535 1HG2 VAL 66 1HG2 VAL 66 9.572 -2.442 -6.325 536 2HG2 VAL 66 2HG2 VAL 66 11.200 -2.528 -5.651 537 3HG2 VAL 66 3HG2 VAL 66 9.834 -2.120 -4.611 538 H THR 67 H THR 67 6.888 -2.580 -4.507 539 HA THR 67 HA THR 67 6.372 -2.080 -7.351 540 HB THR 67 HB THR 67 4.486 -3.139 -5.494 541 HG1 THR 67 1HG THR 67 4.844 -3.232 -7.965 542 1HG2 THR 67 1HG2 THR 67 3.550 -0.494 -6.604 543 2HG2 THR 67 2HG2 THR 67 4.112 -0.688 -4.945 544 3HG2 THR 67 3HG2 THR 67 2.696 -1.578 -5.504 545 H ARG 68 H ARG 68 6.439 0.000 -7.931 546 HA ARG 68 HA ARG 68 6.682 2.002 -5.784 547 1HB ARG 68 2HB ARG 68 7.620 2.556 -8.565 548 2HB ARG 68 1HB ARG 68 8.246 3.151 -7.034 549 1HG ARG 68 2HG ARG 68 8.584 0.306 -7.189 550 2HG ARG 68 1HG ARG 68 9.265 1.082 -8.620 551 1HD ARG 68 2HD ARG 68 10.487 2.643 -7.108 552 2HD ARG 68 1HD ARG 68 9.903 1.699 -5.739 553 HE ARG 68 HE ARG 68 11.102 -0.223 -6.918 554 1HH1 ARG 68 1HH1 ARG 68 12.146 3.101 -7.052 555 2HH1 ARG 68 2HH1 ARG 68 13.814 2.700 -7.291 556 1HH2 ARG 68 1HH2 ARG 68 13.293 -0.756 -7.230 557 2HH2 ARG 68 2HH2 ARG 68 14.465 0.508 -7.393 558 H PHE 69 H PHE 69 4.981 3.270 -5.555 559 HA PHE 69 HA PHE 69 3.602 4.284 -7.926 560 1HB PHE 69 2HB PHE 69 1.392 3.742 -7.062 561 2HB PHE 69 1HB PHE 69 2.345 2.276 -7.257 562 HD1 PHE 69 1HD PHE 69 3.571 1.425 -5.132 563 HD2 PHE 69 2HD PHE 69 0.293 4.138 -5.074 564 HE1 PHE 69 1HE PHE 69 3.115 0.816 -2.792 565 HE2 PHE 69 2HE PHE 69 -0.168 3.535 -2.733 566 HZ PHE 69 HZ PHE 69 1.244 1.872 -1.590 567 H ASP 70 H ASP 70 3.234 6.381 -7.789 568 HA ASP 70 HA ASP 70 3.465 7.676 -5.171 569 1HB ASP 70 2HB ASP 70 3.401 9.706 -7.032 570 2HB ASP 70 1HB ASP 70 4.859 8.995 -6.348 571 H PHE 71 H PHE 71 1.707 8.371 -4.190 572 HA PHE 71 HA PHE 71 -0.676 8.995 -5.807 573 1HB PHE 71 2HB PHE 71 -2.088 8.057 -4.122 574 2HB PHE 71 1HB PHE 71 -0.844 6.862 -4.484 575 HD1 PHE 71 1HD PHE 71 -2.149 9.202 -1.974 576 HD2 PHE 71 2HD PHE 71 0.848 6.295 -2.854 577 HE1 PHE 71 1HE PHE 71 -1.617 9.025 0.422 578 HE2 PHE 71 2HE PHE 71 1.386 6.128 -0.459 579 HZ PHE 71 HZ PHE 71 0.152 7.489 1.179 580 H THR 72 H THR 72 -2.195 10.547 -4.696 581 HA THR 72 HA THR 72 -0.694 12.350 -2.917 582 HB THR 72 HB THR 72 -1.383 14.281 -4.069 583 HG1 THR 72 1HG THR 72 -3.213 12.577 -5.428 584 1HG2 THR 72 1HG2 THR 72 -0.874 13.704 -6.553 585 2HG2 THR 72 2HG2 THR 72 -0.547 12.087 -5.930 586 3HG2 THR 72 3HG2 THR 72 0.383 13.465 -5.340 587 H THR 73 H THR 73 -1.684 13.076 -1.231 588 HA THR 73 HA THR 73 -4.189 13.869 -0.675 589 HB THR 73 HB THR 73 -4.847 11.602 0.681 590 HG1 THR 73 1HG THR 73 -3.809 9.989 -0.201 591 1HG2 THR 73 1HG2 THR 73 -5.740 12.841 -1.844 592 2HG2 THR 73 2HG2 THR 73 -6.646 12.472 -0.376 593 3HG2 THR 73 3HG2 THR 73 -6.304 11.197 -1.546 594 H THR 74 H THR 74 -3.088 15.125 0.819 595 HA THR 74 HA THR 74 -2.491 13.883 3.348 596 HB THR 74 HB THR 74 -0.264 13.818 3.330 597 HG1 THR 74 1HG THR 74 0.801 15.649 3.296 598 1HG2 THR 74 1HG2 THR 74 -0.563 12.851 1.150 599 2HG2 THR 74 2HG2 THR 74 0.876 13.872 1.113 600 3HG2 THR 74 3HG2 THR 74 -0.634 14.448 0.406 601 H SER 75 H SER 75 -0.944 15.925 4.464 602 HA SER 75 HA SER 75 -0.926 18.106 5.181 603 1HB SER 75 2HB SER 75 -2.062 18.591 2.832 604 2HB SER 75 1HB SER 75 -3.489 18.833 3.838 605 HG SER 75 HG SER 75 -1.005 20.188 3.999 606 H THR 76 H THR 76 -1.279 17.425 7.233 607 HA THR 76 HA THR 76 -3.690 18.211 8.483 608 HB THR 76 HB THR 76 -4.510 16.080 7.539 609 HG1 THR 76 1HG THR 76 -4.987 16.938 9.811 610 1HG2 THR 76 1HG2 THR 76 -2.386 14.809 9.271 611 2HG2 THR 76 2HG2 THR 76 -2.371 14.870 7.508 612 3HG2 THR 76 3HG2 THR 76 -3.623 13.955 8.348 613 H SER 77 H SER 77 -0.592 18.034 8.528 614 HA SER 77 HA SER 77 -0.407 17.789 11.443 615 1HB SER 77 2HB SER 77 1.793 16.713 9.698 616 2HB SER 77 1HB SER 77 1.474 16.385 11.402 617 HG SER 77 HG SER 77 -0.654 15.551 10.264 618 H THR 78 H THR 78 2.618 17.988 10.027 619 HA THR 78 HA THR 78 4.204 19.647 10.241 620 HB THR 78 HB THR 78 3.461 19.778 7.913 621 HG1 THR 78 1HG THR 78 4.834 21.538 9.148 622 1HG2 THR 78 1HG2 THR 78 1.304 21.388 9.143 623 2HG2 THR 78 2HG2 THR 78 1.260 20.311 7.742 624 3HG2 THR 78 3HG2 THR 78 1.910 21.945 7.578 625 HA PRO 79 HA PRO 79 1.920 22.736 12.856 626 1HB PRO 79 2HB PRO 79 1.281 21.528 15.105 627 2HB PRO 79 1HB PRO 79 0.386 21.158 13.623 628 1HG PRO 79 2HG PRO 79 2.434 19.531 15.045 629 2HG PRO 79 1HG PRO 79 1.033 19.001 14.098 630 1HD PRO 79 2HD PRO 79 3.756 19.277 13.221 631 2HD PRO 79 1HD PRO 79 2.347 18.774 12.263 632 H GLY 80 H GLY 80 4.810 21.989 12.597 633 1HA GLY 80 2HA GLY 80 5.696 22.932 15.255 634 2HA GLY 80 1HA GLY 80 6.609 21.754 14.323 635 H SER 81 H SER 81 8.101 23.743 15.027 636 HA SER 81 HA SER 81 8.669 25.117 12.560 637 1HB SER 81 2HB SER 81 7.014 26.642 13.524 638 2HB SER 81 1HB SER 81 7.939 26.718 15.024 639 HG SER 81 HG SER 81 9.579 27.311 13.029 640 H ARG 82 H ARG 82 9.430 25.738 15.991 641 HA ARG 82 HA ARG 82 12.277 25.527 15.313 642 1HB ARG 82 2HB ARG 82 11.061 26.635 17.845 643 2HB ARG 82 1HB ARG 82 12.725 26.800 17.302 644 1HG ARG 82 2HG ARG 82 11.117 27.829 15.240 645 2HG ARG 82 1HG ARG 82 10.470 28.466 16.754 646 1HD ARG 82 2HD ARG 82 12.254 29.869 15.687 647 2HD ARG 82 1HD ARG 82 12.573 29.397 17.355 648 HE ARG 82 HE ARG 82 13.726 27.731 15.264 649 1HH1 ARG 82 1HH1 ARG 82 14.166 30.255 17.623 650 2HH1 ARG 82 2HH1 ARG 82 15.889 30.093 17.666 651 1HH2 ARG 82 1HH2 ARG 82 15.996 27.508 15.313 652 2HH2 ARG 82 2HH2 ARG 82 16.930 28.532 16.353 653 H SER 83 H SER 83 13.575 24.016 16.167 654 HA SER 83 HA SER 83 14.215 22.075 17.161 655 1HB SER 83 2HB SER 83 13.813 23.685 19.159 656 2HB SER 83 1HB SER 83 12.375 22.709 19.454 657 HG SER 83 HG SER 83 15.063 21.800 19.355 658 H HIS 84 H HIS 84 13.286 20.617 15.737 659 HA HIS 84 HA HIS 84 10.598 19.827 15.712 660 1HB HIS 84 2HB HIS 84 12.910 18.031 14.981 661 2HB HIS 84 1HB HIS 84 11.277 18.014 14.325 662 HD2 HIS 84 2HD HIS 84 14.688 19.454 13.563 663 HE1 HIS 84 1HE HIS 84 11.894 21.556 11.180 664 HE2 HIS 84 2HE HIS 84 14.340 20.965 11.485 665 H HIS 85 H HIS 85 9.689 17.752 16.374 666 HA HIS 85 HA HIS 85 10.660 17.002 19.032 667 1HB HIS 85 2HB HIS 85 8.350 15.742 18.990 668 2HB HIS 85 1HB HIS 85 8.416 17.477 19.277 669 HD2 HIS 85 2HD HIS 85 8.010 15.257 16.024 670 HE1 HIS 85 1HE HIS 85 5.435 18.612 15.867 671 HE2 HIS 85 2HE HIS 85 6.068 16.421 14.759 672 H HIS 86 H HIS 86 10.254 14.631 19.616 673 HA HIS 86 HA HIS 86 10.908 12.469 19.385 674 1HB HIS 86 2HB HIS 86 9.164 13.036 17.217 675 2HB HIS 86 1HB HIS 86 10.465 12.026 16.592 676 HD2 HIS 86 2HD HIS 86 10.090 9.407 16.982 677 HE1 HIS 86 1HE HIS 86 7.246 9.723 20.101 678 HE2 HIS 86 2HE HIS 86 8.342 8.157 18.436 679 H HIS 87 H HIS 87 13.104 13.448 19.649 680 HA HIS 87 HA HIS 87 14.758 13.510 17.266 681 1HB HIS 87 2HB HIS 87 14.879 14.948 19.535 682 2HB HIS 87 1HB HIS 87 15.993 13.654 19.961 683 HD2 HIS 87 2HD HIS 87 18.503 14.203 19.254 684 HE1 HIS 87 1HE HIS 87 17.628 16.847 16.068 685 HE2 HIS 87 2HE HIS 87 19.469 15.631 17.316 686 H HIS 88 H HIS 88 13.486 10.991 18.250 687 HA HIS 88 HA HIS 88 15.954 9.398 18.479 688 1HB HIS 88 2HB HIS 88 13.560 9.392 20.160 689 2HB HIS 88 1HB HIS 88 13.976 7.794 19.553 690 HD2 HIS 88 2HD HIS 88 15.776 6.513 21.053 691 HE1 HIS 88 1HE HIS 88 17.407 9.910 22.979 692 HE2 HIS 88 2HE HIS 88 17.318 7.377 22.951 693 H HIS 89 H HIS 89 13.168 10.090 16.730 694 HA HIS 89 HA HIS 89 13.737 8.036 14.809 695 1HB HIS 89 2HB HIS 89 11.751 7.527 16.808 696 2HB HIS 89 1HB HIS 89 10.951 7.702 15.249 697 HD2 HIS 89 2HD HIS 89 10.629 4.813 16.045 698 HE1 HIS 89 1HE HIS 89 14.304 3.950 14.133 699 HE2 HIS 89 2HE HIS 89 12.248 2.955 15.233 Start of MODEL 23 1 1H MET 1 1HT MET 1 -12.458 -7.779 19.850 2 2H MET 1 2HT MET 1 -13.793 -6.843 19.398 3 3H MET 1 3HT MET 1 -12.307 -6.629 18.618 4 HA MET 1 HA MET 1 -12.425 -8.715 17.559 5 1HB MET 1 2HB MET 1 -14.386 -9.163 19.711 6 2HB MET 1 1HB MET 1 -14.829 -9.870 18.165 7 1HG MET 1 2HG MET 1 -13.647 -11.480 19.514 8 2HG MET 1 1HG MET 1 -12.688 -11.053 18.098 9 1HE MET 1 1HE MET 1 -9.987 -11.911 20.172 10 2HE MET 1 2HE MET 1 -11.581 -12.626 19.928 11 3HE MET 1 3HE MET 1 -11.099 -12.070 21.532 12 H ARG 2 H ARG 2 -12.738 -7.599 15.696 13 HA ARG 2 HA ARG 2 -15.279 -6.303 15.159 14 1HB ARG 2 2HB ARG 2 -14.037 -5.939 12.862 15 2HB ARG 2 1HB ARG 2 -13.617 -4.985 14.277 16 1HG ARG 2 2HG ARG 2 -11.524 -5.683 14.157 17 2HG ARG 2 1HG ARG 2 -12.051 -7.363 14.284 18 1HD ARG 2 2HD ARG 2 -12.495 -7.336 11.832 19 2HD ARG 2 1HD ARG 2 -11.782 -5.724 11.768 20 HE ARG 2 HE ARG 2 -10.132 -7.823 12.913 21 1HH1 ARG 2 1HH1 ARG 2 -10.936 -5.906 10.115 22 2HH1 ARG 2 2HH1 ARG 2 -9.428 -6.204 9.318 23 1HH2 ARG 2 1HH2 ARG 2 -8.144 -8.220 11.870 24 2HH2 ARG 2 2HH2 ARG 2 -7.841 -7.518 10.315 25 H GLY 3 H GLY 3 -16.268 -6.663 12.940 26 1HA GLY 3 2HA GLY 3 -16.662 -9.543 12.621 27 2HA GLY 3 1HA GLY 3 -17.703 -8.277 11.986 28 H SER 4 H SER 4 -17.430 -9.947 10.149 29 HA SER 4 HA SER 4 -16.657 -10.449 8.070 30 1HB SER 4 2HB SER 4 -16.518 -7.612 8.372 31 2HB SER 4 1HB SER 4 -15.134 -8.136 7.413 32 HG SER 4 HG SER 4 -17.854 -8.776 6.908 33 H ASN 5 H ASN 5 -15.242 -12.039 9.075 34 HA ASN 5 HA ASN 5 -12.521 -11.450 9.652 35 1HB ASN 5 2HB ASN 5 -14.230 -13.839 9.549 36 2HB ASN 5 1HB ASN 5 -12.545 -14.141 9.135 37 1HD2 ASN 5 1HD2 ASN 5 -10.964 -13.053 10.680 38 2HD2 ASN 5 2HD2 ASN 5 -11.326 -13.206 12.362 39 H ALA 6 H ALA 6 -11.010 -13.325 8.398 40 HA ALA 6 HA ALA 6 -11.325 -12.977 5.521 41 1HB ALA 6 1HB ALA 6 -9.440 -11.475 7.125 42 2HB ALA 6 2HB ALA 6 -9.889 -11.277 5.431 43 3HB ALA 6 3HB ALA 6 -8.632 -12.429 5.882 44 HA PRO 7 HA PRO 7 -9.840 -17.170 5.852 45 1HB PRO 7 2HB PRO 7 -9.683 -17.709 3.197 46 2HB PRO 7 1HB PRO 7 -11.215 -17.654 4.075 47 1HG PRO 7 2HG PRO 7 -9.947 -15.567 2.346 48 2HG PRO 7 1HG PRO 7 -11.643 -16.078 2.423 49 1HD PRO 7 2HD PRO 7 -10.728 -13.835 3.644 50 2HD PRO 7 1HD PRO 7 -12.077 -14.794 4.284 51 H GLN 8 H GLN 8 -8.380 -16.350 2.791 52 HA GLN 8 HA GLN 8 -6.220 -16.394 2.079 53 1HB GLN 8 2HB GLN 8 -5.545 -15.056 4.696 54 2HB GLN 8 1HB GLN 8 -4.723 -14.886 3.151 55 1HG GLN 8 2HG GLN 8 -7.369 -13.762 3.999 56 2HG GLN 8 1HG GLN 8 -5.938 -12.908 3.425 57 1HE2 GLN 8 1HE2 GLN 8 -8.927 -13.470 2.577 58 2HE2 GLN 8 2HE2 GLN 8 -8.784 -13.634 0.863 59 HA PRO 9 HA PRO 9 -5.140 -20.037 4.757 60 1HB PRO 9 2HB PRO 9 -5.055 -21.867 2.774 61 2HB PRO 9 1HB PRO 9 -6.562 -21.417 3.582 62 1HG PRO 9 2HG PRO 9 -5.475 -20.495 0.948 63 2HG PRO 9 1HG PRO 9 -7.133 -20.963 1.372 64 1HD PRO 9 2HD PRO 9 -6.318 -18.373 1.201 65 2HD PRO 9 1HD PRO 9 -7.607 -18.912 2.295 66 H SER 10 H SER 10 -3.100 -19.012 5.063 67 HA SER 10 HA SER 10 -0.836 -18.905 4.938 68 1HB SER 10 2HB SER 10 -1.503 -21.453 3.848 69 2HB SER 10 1HB SER 10 -0.189 -20.776 2.885 70 HG SER 10 HG SER 10 1.033 -20.566 4.740 71 H HIS 11 H HIS 11 0.246 -17.302 4.037 72 HA HIS 11 HA HIS 11 0.434 -17.048 1.158 73 1HB HIS 11 2HB HIS 11 -1.642 -15.725 2.256 74 2HB HIS 11 1HB HIS 11 -0.379 -14.521 2.483 75 HD2 HIS 11 2HD HIS 11 -2.355 -13.366 0.501 76 HE1 HIS 11 1HE HIS 11 -0.103 -15.120 -2.624 77 HE2 HIS 11 2HE HIS 11 -1.974 -13.504 -2.062 78 H ILE 12 H ILE 12 1.296 -14.226 1.405 79 HA ILE 12 HA ILE 12 4.038 -14.692 1.941 80 HB ILE 12 HB ILE 12 3.402 -13.002 0.330 81 1HG1 ILE 12 2HG1 ILE 12 4.483 -11.134 2.307 82 2HG1 ILE 12 1HG1 ILE 12 5.327 -12.682 2.289 83 1HG2 ILE 12 1HG2 ILE 12 1.713 -12.069 2.525 84 2HG2 ILE 12 2HG2 ILE 12 1.516 -11.887 0.781 85 3HG2 ILE 12 3HG2 ILE 12 2.561 -10.779 1.671 86 1HD1 ILE 12 1HD1 ILE 12 4.802 -11.195 -0.249 87 2HD1 ILE 12 2HD1 ILE 12 6.028 -12.415 0.095 88 3HD1 ILE 12 3HD1 ILE 12 6.177 -10.797 0.779 89 H SER 13 H SER 13 5.353 -13.895 3.601 90 HA SER 13 HA SER 13 4.440 -14.141 6.190 91 1HB SER 13 2HB SER 13 6.862 -14.076 5.319 92 2HB SER 13 1HB SER 13 6.740 -12.324 5.484 93 HG SER 13 HG SER 13 7.419 -13.949 7.350 94 H LYS 14 H LYS 14 4.940 -11.145 4.331 95 HA LYS 14 HA LYS 14 2.740 -9.831 5.489 96 1HB LYS 14 2HB LYS 14 3.797 -8.240 6.949 97 2HB LYS 14 1HB LYS 14 4.237 -9.856 7.478 98 1HG LYS 14 2HG LYS 14 6.156 -8.802 5.592 99 2HG LYS 14 1HG LYS 14 5.956 -7.739 6.987 100 1HD LYS 14 2HD LYS 14 6.047 -10.384 7.970 101 2HD LYS 14 1HD LYS 14 7.360 -10.223 6.803 102 1HE LYS 14 2HE LYS 14 8.533 -8.873 8.146 103 2HE LYS 14 1HE LYS 14 7.111 -7.920 8.568 104 1HZ LYS 14 1HZ LYS 14 8.259 -9.234 10.407 105 2HZ LYS 14 2HZ LYS 14 7.547 -10.605 9.717 106 3HZ LYS 14 3HZ LYS 14 6.574 -9.350 10.301 107 H TYR 15 H TYR 15 2.359 -7.785 4.625 108 HA TYR 15 HA TYR 15 4.025 -7.097 2.303 109 1HB TYR 15 2HB TYR 15 1.133 -6.871 2.936 110 2HB TYR 15 1HB TYR 15 1.827 -5.536 2.028 111 HD1 TYR 15 1HD TYR 15 0.349 -8.734 1.797 112 HD2 TYR 15 2HD TYR 15 3.206 -6.212 -0.095 113 HE1 TYR 15 1HE TYR 15 0.101 -10.021 -0.282 114 HE2 TYR 15 2HE TYR 15 2.964 -7.491 -2.179 115 HH TYR 15 HH TYR 15 0.874 -9.041 -3.158 116 H ILE 16 H ILE 16 5.029 -5.105 2.187 117 HA ILE 16 HA ILE 16 4.638 -3.335 4.512 118 HB ILE 16 HB ILE 16 7.121 -3.957 2.937 119 1HG1 ILE 16 2HG1 ILE 16 6.601 -5.341 4.908 120 2HG1 ILE 16 1HG1 ILE 16 8.061 -4.390 5.150 121 1HG2 ILE 16 1HG2 ILE 16 6.455 -1.469 4.433 122 2HG2 ILE 16 2HG2 ILE 16 7.413 -1.685 2.969 123 3HG2 ILE 16 3HG2 ILE 16 8.095 -2.107 4.539 124 1HD1 ILE 16 1HD1 ILE 16 6.112 -2.760 6.172 125 2HD1 ILE 16 2HD1 ILE 16 7.157 -3.833 7.105 126 3HD1 ILE 16 3HD1 ILE 16 5.550 -4.373 6.616 127 H LEU 17 H LEU 17 3.800 -1.422 4.131 128 HA LEU 17 HA LEU 17 3.908 -0.339 1.397 129 1HB LEU 17 2HB LEU 17 1.714 -0.801 2.943 130 2HB LEU 17 1HB LEU 17 2.059 0.868 3.353 131 HG LEU 17 HG LEU 17 2.100 0.382 0.474 132 1HD1 LEU 17 1HD1 LEU 17 0.394 -1.167 0.694 133 2HD1 LEU 17 2HD1 LEU 17 -0.487 0.348 0.489 134 3HD1 LEU 17 3HD1 LEU 17 -0.301 -0.355 2.096 135 1HD2 LEU 17 1HD2 LEU 17 0.508 2.335 0.597 136 2HD2 LEU 17 2HD2 LEU 17 2.111 2.610 1.275 137 3HD2 LEU 17 3HD2 LEU 17 0.741 2.307 2.345 138 H ARG 18 H ARG 18 5.403 1.194 1.153 139 HA ARG 18 HA ARG 18 5.949 2.970 3.438 140 1HB ARG 18 2HB ARG 18 7.811 2.086 1.229 141 2HB ARG 18 1HB ARG 18 8.211 3.281 2.453 142 1HG ARG 18 2HG ARG 18 8.536 1.732 4.060 143 2HG ARG 18 1HG ARG 18 7.264 0.671 3.448 144 1HD ARG 18 2HD ARG 18 8.711 -0.531 2.244 145 2HD ARG 18 1HD ARG 18 9.501 0.911 1.607 146 HE ARG 18 HE ARG 18 10.295 0.586 4.265 147 1HH1 ARG 18 1HH1 ARG 18 10.639 -1.018 1.191 148 2HH1 ARG 18 2HH1 ARG 18 12.178 -1.711 1.580 149 1HH2 ARG 18 1HH2 ARG 18 12.320 -0.321 4.786 150 2HH2 ARG 18 2HH2 ARG 18 13.135 -1.316 3.624 151 H TRP 19 H TRP 19 5.572 5.087 3.160 152 HA TRP 19 HA TRP 19 5.724 6.235 0.502 153 1HB TRP 19 2HB TRP 19 3.515 6.982 0.310 154 2HB TRP 19 1HB TRP 19 3.352 5.325 0.879 155 HD1 TRP 19 HD TRP 19 2.611 8.907 1.850 156 HE1 TRP 19 1HE TRP 19 1.237 8.926 4.028 157 HE3 TRP 19 3HE TRP 19 3.018 3.968 3.114 158 HZ2 TRP 19 2HZ TRP 19 0.430 7.089 6.016 159 HZ3 TRP 19 3HZ TRP 19 1.913 3.179 5.166 160 HH2 TRP 19 HH TRP 19 0.647 4.710 6.587 161 H ARG 20 H ARG 20 5.768 8.512 0.455 162 HA ARG 20 HA ARG 20 5.752 10.034 2.897 163 1HB ARG 20 2HB ARG 20 8.038 10.638 2.979 164 2HB ARG 20 1HB ARG 20 8.030 8.889 2.799 165 1HG ARG 20 2HG ARG 20 9.249 9.027 0.959 166 2HG ARG 20 1HG ARG 20 8.083 10.121 0.214 167 1HD ARG 20 2HD ARG 20 9.262 11.978 0.774 168 2HD ARG 20 1HD ARG 20 9.853 11.279 2.280 169 HE ARG 20 HE ARG 20 10.953 10.551 -0.357 170 1HH1 ARG 20 1HH1 ARG 20 11.348 11.407 2.998 171 2HH1 ARG 20 2HH1 ARG 20 13.070 11.228 2.974 172 1HH2 ARG 20 1HH2 ARG 20 13.224 10.314 -0.395 173 2HH2 ARG 20 2HH2 ARG 20 14.136 10.606 1.047 174 HA PRO 21 HA PRO 21 4.680 13.333 0.181 175 1HB PRO 21 2HB PRO 21 6.622 15.123 1.524 176 2HB PRO 21 1HB PRO 21 4.870 15.276 1.366 177 1HG PRO 21 2HG PRO 21 6.010 14.617 3.699 178 2HG PRO 21 1HG PRO 21 4.448 13.943 3.200 179 1HD PRO 21 2HD PRO 21 7.157 12.680 3.168 180 2HD PRO 21 1HD PRO 21 5.580 11.963 3.562 181 H LYS 22 H LYS 22 5.361 13.174 -1.861 182 HA LYS 22 HA LYS 22 8.035 12.832 -2.660 183 1HB LYS 22 2HB LYS 22 5.580 12.614 -3.874 184 2HB LYS 22 1HB LYS 22 6.267 14.021 -4.673 185 1HG LYS 22 2HG LYS 22 8.345 12.208 -4.670 186 2HG LYS 22 1HG LYS 22 6.917 11.212 -4.967 187 1HD LYS 22 2HD LYS 22 6.660 13.556 -6.534 188 2HD LYS 22 1HD LYS 22 8.299 12.942 -6.764 189 1HE LYS 22 2HE LYS 22 6.108 10.956 -6.825 190 2HE LYS 22 1HE LYS 22 6.197 12.079 -8.181 191 1HZ LYS 22 1HZ LYS 22 7.604 10.523 -8.962 192 2HZ LYS 22 2HZ LYS 22 8.010 9.934 -7.429 193 3HZ LYS 22 3HZ LYS 22 8.737 11.346 -8.010 194 H ASN 23 H ASN 23 6.058 15.679 -2.210 195 HA ASN 23 HA ASN 23 8.173 17.386 -3.304 196 1HB ASN 23 2HB ASN 23 5.506 17.542 -3.669 197 2HB ASN 23 1HB ASN 23 5.675 18.595 -2.266 198 1HD2 ASN 23 1HD2 ASN 23 7.218 20.357 -2.435 199 2HD2 ASN 23 2HD2 ASN 23 7.475 21.102 -3.971 200 H SER 24 H SER 24 6.383 16.744 -0.339 201 HA SER 24 HA SER 24 7.929 18.734 1.125 202 1HB SER 24 2HB SER 24 5.839 18.881 2.010 203 2HB SER 24 1HB SER 24 5.426 17.226 1.576 204 HG SER 24 HG SER 24 5.605 17.076 3.707 205 H VAL 25 H VAL 25 8.705 18.010 3.366 206 HA VAL 25 HA VAL 25 10.056 15.402 3.110 207 HB VAL 25 HB VAL 25 11.613 17.319 2.936 208 1HG1 VAL 25 1HG1 VAL 25 10.733 19.047 4.204 209 2HG1 VAL 25 2HG1 VAL 25 12.072 18.482 5.204 210 3HG1 VAL 25 3HG1 VAL 25 10.419 18.005 5.593 211 1HG2 VAL 25 1HG2 VAL 25 13.135 16.574 4.833 212 2HG2 VAL 25 2HG2 VAL 25 12.582 15.326 3.717 213 3HG2 VAL 25 3HG2 VAL 25 11.832 15.484 5.305 214 H GLY 26 H GLY 26 9.939 13.995 4.798 215 1HA GLY 26 2HA GLY 26 9.505 14.616 7.476 216 2HA GLY 26 1HA GLY 26 7.922 14.392 6.752 217 H ARG 27 H ARG 27 10.805 12.629 5.789 218 HA ARG 27 HA ARG 27 11.348 10.423 5.842 219 1HB ARG 27 2HB ARG 27 9.833 10.699 8.420 220 2HB ARG 27 1HB ARG 27 10.448 9.136 7.902 221 1HG ARG 27 2HG ARG 27 12.641 10.732 7.604 222 2HG ARG 27 1HG ARG 27 11.856 11.436 9.021 223 1HD ARG 27 2HD ARG 27 12.814 9.820 10.218 224 2HD ARG 27 1HD ARG 27 11.695 8.701 9.441 225 HE ARG 27 HE ARG 27 13.564 8.590 7.666 226 1HH1 ARG 27 1HH1 ARG 27 14.040 8.931 11.104 227 2HH1 ARG 27 2HH1 ARG 27 15.587 8.152 11.094 228 1HH2 ARG 27 1HH2 ARG 27 15.596 7.565 7.647 229 2HH2 ARG 27 2HH2 ARG 27 16.471 7.376 9.129 230 H TRP 28 H TRP 28 10.348 8.128 5.983 231 HA TRP 28 HA TRP 28 7.987 8.160 4.281 232 1HB TRP 28 2HB TRP 28 9.904 5.960 5.074 233 2HB TRP 28 1HB TRP 28 8.501 5.702 4.043 234 HD1 TRP 28 HD TRP 28 11.815 7.697 4.051 235 HE1 TRP 28 1HE TRP 28 12.552 8.026 1.608 236 HE3 TRP 28 3HE TRP 28 7.762 5.653 1.696 237 HZ2 TRP 28 2HZ TRP 28 11.547 7.492 -0.977 238 HZ3 TRP 28 3HZ TRP 28 7.729 5.600 -0.763 239 HH2 TRP 28 HH TRP 28 9.582 6.502 -2.072 240 H LYS 29 H LYS 29 6.774 5.800 4.759 241 HA LYS 29 HA LYS 29 6.073 5.676 7.594 242 1HB LYS 29 2HB LYS 29 4.100 6.190 5.359 243 2HB LYS 29 1HB LYS 29 3.632 5.653 6.966 244 1HG LYS 29 2HG LYS 29 5.342 7.960 7.129 245 2HG LYS 29 1HG LYS 29 3.955 8.275 6.084 246 1HD LYS 29 2HD LYS 29 2.995 8.794 8.077 247 2HD LYS 29 1HD LYS 29 2.684 7.057 8.085 248 1HE LYS 29 2HE LYS 29 3.979 6.752 9.871 249 2HE LYS 29 1HE LYS 29 5.302 7.665 9.146 250 1HZ LYS 29 1HZ LYS 29 4.708 9.545 10.209 251 2HZ LYS 29 2HZ LYS 29 4.008 8.468 11.309 252 3HZ LYS 29 3HZ LYS 29 3.050 9.218 10.135 253 H GLU 30 H GLU 30 5.291 3.636 8.230 254 HA GLU 30 HA GLU 30 5.402 1.585 6.116 255 1HB GLU 30 2HB GLU 30 6.383 1.457 8.963 256 2HB GLU 30 1HB GLU 30 6.198 0.036 7.944 257 1HG GLU 30 2HG GLU 30 8.152 0.396 6.977 258 2HG GLU 30 1HG GLU 30 7.703 2.052 6.564 259 H ALA 31 H ALA 31 3.795 0.192 5.935 260 HA ALA 31 HA ALA 31 1.886 -0.173 8.122 261 1HB ALA 31 1HB ALA 31 0.044 0.551 6.999 262 2HB ALA 31 2HB ALA 31 0.707 0.133 5.420 263 3HB ALA 31 3HB ALA 31 1.236 1.604 6.238 264 H THR 32 H THR 32 1.958 -2.314 8.469 265 HA THR 32 HA THR 32 2.583 -4.109 6.277 266 HB THR 32 HB THR 32 2.252 -4.614 9.233 267 HG1 THR 32 1HG THR 32 4.218 -3.681 8.784 268 1HG2 THR 32 1HG2 THR 32 1.515 -6.629 8.216 269 2HG2 THR 32 2HG2 THR 32 3.209 -6.899 8.631 270 3HG2 THR 32 3HG2 THR 32 2.756 -6.538 6.965 271 H ILE 33 H ILE 33 1.298 -5.573 5.375 272 HA ILE 33 HA ILE 33 -1.419 -5.937 6.426 273 HB ILE 33 HB ILE 33 -1.036 -5.915 3.466 274 1HG1 ILE 33 2HG1 ILE 33 -1.993 -3.352 4.436 275 2HG1 ILE 33 1HG1 ILE 33 -0.349 -3.672 4.985 276 1HG2 ILE 33 1HG2 ILE 33 -3.132 -6.691 4.421 277 2HG2 ILE 33 2HG2 ILE 33 -3.378 -5.201 3.511 278 3HG2 ILE 33 3HG2 ILE 33 -3.328 -5.160 5.274 279 1HD1 ILE 33 1HD1 ILE 33 -1.040 -2.589 2.581 280 2HD1 ILE 33 2HD1 ILE 33 -0.776 -4.283 2.169 281 3HD1 ILE 33 3HD1 ILE 33 0.503 -3.357 2.952 282 HA PRO 34 HA PRO 34 0.376 -10.080 6.069 283 1HB PRO 34 2HB PRO 34 -2.255 -10.801 7.209 284 2HB PRO 34 1HB PRO 34 -0.637 -11.211 7.778 285 1HG PRO 34 2HG PRO 34 -2.136 -9.413 9.059 286 2HG PRO 34 1HG PRO 34 -0.383 -9.196 8.894 287 1HD PRO 34 2HD PRO 34 -2.609 -7.888 7.379 288 2HD PRO 34 1HD PRO 34 -1.091 -7.189 7.982 289 H GLY 35 H GLY 35 0.335 -10.417 3.865 290 1HA GLY 35 2HA GLY 35 -0.400 -11.334 1.893 291 2HA GLY 35 1HA GLY 35 -1.650 -12.131 2.836 292 H HIS 36 H HIS 36 -3.680 -11.162 3.052 293 HA HIS 36 HA HIS 36 -4.370 -8.615 2.109 294 1HB HIS 36 2HB HIS 36 -3.732 -10.025 -0.043 295 2HB HIS 36 1HB HIS 36 -5.370 -10.641 0.154 296 HD2 HIS 36 2HD HIS 36 -5.187 -6.976 1.120 297 HE1 HIS 36 1HE HIS 36 -6.441 -7.150 -2.917 298 HE2 HIS 36 2HE HIS 36 -6.336 -5.713 -0.832 299 H LEU 37 H LEU 37 -5.418 -8.955 4.172 300 HA LEU 37 HA LEU 37 -7.503 -10.882 4.462 301 1HB LEU 37 2HB LEU 37 -8.061 -9.630 6.514 302 2HB LEU 37 1HB LEU 37 -6.364 -10.063 6.416 303 HG LEU 37 HG LEU 37 -6.991 -7.393 5.359 304 1HD1 LEU 37 1HD1 LEU 37 -7.995 -8.208 7.954 305 2HD1 LEU 37 2HD1 LEU 37 -8.272 -6.720 7.050 306 3HD1 LEU 37 3HD1 LEU 37 -6.841 -6.879 8.069 307 1HD2 LEU 37 1HD2 LEU 37 -5.064 -7.640 7.515 308 2HD2 LEU 37 2HD2 LEU 37 -4.846 -7.063 5.863 309 3HD2 LEU 37 3HD2 LEU 37 -4.767 -8.790 6.212 310 H ASN 38 H ASN 38 -7.331 -7.547 3.417 311 HA ASN 38 HA ASN 38 -9.800 -7.663 2.061 312 1HB ASN 38 2HB ASN 38 -11.246 -6.374 3.383 313 2HB ASN 38 1HB ASN 38 -10.502 -7.478 4.536 314 1HD2 ASN 38 1HD2 ASN 38 -8.046 -6.271 4.875 315 2HD2 ASN 38 2HD2 ASN 38 -8.267 -4.744 5.656 316 H SER 39 H SER 39 -10.516 -4.986 2.018 317 HA SER 39 HA SER 39 -8.391 -3.900 0.419 318 1HB SER 39 2HB SER 39 -11.212 -3.505 0.679 319 2HB SER 39 1HB SER 39 -10.408 -1.945 0.851 320 HG SER 39 HG SER 39 -9.257 -3.262 -1.152 321 H TYR 40 H TYR 40 -6.751 -2.762 1.182 322 HA TYR 40 HA TYR 40 -7.048 -1.363 3.749 323 1HB TYR 40 2HB TYR 40 -5.165 -3.120 3.178 324 2HB TYR 40 1HB TYR 40 -4.403 -1.738 2.399 325 HD1 TYR 40 1HD TYR 40 -4.829 -3.487 5.445 326 HD2 TYR 40 2HD TYR 40 -4.161 0.406 3.865 327 HE1 TYR 40 1HE TYR 40 -3.939 -2.763 7.620 328 HE2 TYR 40 2HE TYR 40 -3.268 1.141 6.034 329 HH TYR 40 HH TYR 40 -2.251 0.156 8.037 330 H THR 41 H THR 41 -7.522 0.724 3.573 331 HA THR 41 HA THR 41 -6.263 2.264 1.395 332 HB THR 41 HB THR 41 -8.607 2.168 0.918 333 HG1 THR 41 1HG THR 41 -9.106 4.542 1.560 334 1HG2 THR 41 1HG2 THR 41 -8.977 2.961 3.803 335 2HG2 THR 41 2HG2 THR 41 -9.559 1.505 2.995 336 3HG2 THR 41 3HG2 THR 41 -10.262 3.074 2.600 337 H ILE 42 H ILE 42 -5.169 4.057 1.932 338 HA ILE 42 HA ILE 42 -5.004 4.739 4.774 339 HB ILE 42 HB ILE 42 -3.202 5.422 2.452 340 1HG1 ILE 42 2HG1 ILE 42 -2.165 4.051 4.847 341 2HG1 ILE 42 1HG1 ILE 42 -3.336 3.123 3.915 342 1HG2 ILE 42 1HG2 ILE 42 -2.920 6.229 5.344 343 2HG2 ILE 42 2HG2 ILE 42 -3.301 7.306 4.000 344 3HG2 ILE 42 3HG2 ILE 42 -1.731 6.505 4.072 345 1HD1 ILE 42 1HD1 ILE 42 -1.156 2.566 3.148 346 2HD1 ILE 42 2HD1 ILE 42 -0.732 4.266 2.950 347 3HD1 ILE 42 3HD1 ILE 42 -1.940 3.531 1.897 348 H LYS 43 H LYS 43 -6.194 6.380 5.478 349 HA LYS 43 HA LYS 43 -6.711 8.632 3.648 350 1HB LYS 43 2HB LYS 43 -8.525 7.343 5.680 351 2HB LYS 43 1HB LYS 43 -8.827 8.953 5.041 352 1HG LYS 43 2HG LYS 43 -8.468 7.512 2.757 353 2HG LYS 43 1HG LYS 43 -9.242 6.332 3.817 354 1HD LYS 43 2HD LYS 43 -11.173 7.581 4.019 355 2HD LYS 43 1HD LYS 43 -10.355 9.097 3.631 356 1HE LYS 43 2HE LYS 43 -10.106 7.359 1.397 357 2HE LYS 43 1HE LYS 43 -11.796 7.358 1.903 358 1HZ LYS 43 1HZ LYS 43 -10.327 9.897 1.600 359 2HZ LYS 43 2HZ LYS 43 -11.994 9.617 1.534 360 3HZ LYS 43 3HZ LYS 43 -11.004 9.133 0.251 361 H GLY 44 H GLY 44 -6.238 10.636 4.364 362 1HA GLY 44 2HA GLY 44 -6.319 12.059 6.476 363 2HA GLY 44 1HA GLY 44 -5.227 10.847 7.128 364 H LEU 45 H LEU 45 -5.002 11.802 3.798 365 HA LEU 45 HA LEU 45 -2.399 13.025 4.377 366 1HB LEU 45 2HB LEU 45 -3.430 12.234 1.659 367 2HB LEU 45 1HB LEU 45 -1.770 12.527 2.147 368 HG LEU 45 HG LEU 45 -3.127 10.335 3.575 369 1HD1 LEU 45 1HD1 LEU 45 -2.264 9.040 1.314 370 2HD1 LEU 45 2HD1 LEU 45 -3.088 10.459 0.669 371 3HD1 LEU 45 3HD1 LEU 45 -3.944 9.357 1.748 372 1HD2 LEU 45 1HD2 LEU 45 -0.805 9.357 2.643 373 2HD2 LEU 45 2HD2 LEU 45 -0.936 10.310 4.121 374 3HD2 LEU 45 3HD2 LEU 45 -0.441 11.082 2.615 375 H LYS 46 H LYS 46 -1.803 14.739 2.613 376 HA LYS 46 HA LYS 46 -3.899 16.758 2.719 377 1HB LYS 46 2HB LYS 46 -0.945 16.803 2.692 378 2HB LYS 46 1HB LYS 46 -1.738 18.105 1.816 379 1HG LYS 46 2HG LYS 46 -3.107 18.454 3.950 380 2HG LYS 46 1HG LYS 46 -1.891 17.444 4.733 381 1HD LYS 46 2HD LYS 46 -1.117 19.828 3.082 382 2HD LYS 46 1HD LYS 46 -1.563 19.992 4.782 383 1HE LYS 46 2HE LYS 46 0.178 18.095 5.144 384 2HE LYS 46 1HE LYS 46 0.779 18.586 3.560 385 1HZ LYS 46 1HZ LYS 46 0.847 20.024 6.104 386 2HZ LYS 46 2HZ LYS 46 0.653 20.945 4.698 387 3HZ LYS 46 3HZ LYS 46 2.007 19.947 4.875 388 HA PRO 47 HA PRO 47 -4.611 16.076 -1.641 389 1HB PRO 47 2HB PRO 47 -6.213 18.529 -1.528 390 2HB PRO 47 1HB PRO 47 -6.722 16.874 -1.875 391 1HG PRO 47 2HG PRO 47 -7.386 18.126 0.418 392 2HG PRO 47 1HG PRO 47 -7.089 16.378 0.344 393 1HD PRO 47 2HD PRO 47 -5.281 18.569 1.302 394 2HD PRO 47 1HD PRO 47 -5.569 16.960 1.999 395 H GLY 48 H GLY 48 -2.738 18.387 -0.264 396 1HA GLY 48 2HA GLY 48 -2.426 19.979 -2.714 397 2HA GLY 48 1HA GLY 48 -1.799 20.405 -1.129 398 H VAL 49 H VAL 49 -0.721 17.694 -0.676 399 HA VAL 49 HA VAL 49 1.546 17.817 -2.557 400 HB VAL 49 HB VAL 49 2.236 18.583 -0.351 401 1HG1 VAL 49 1HG1 VAL 49 2.204 16.292 1.240 402 2HG1 VAL 49 2HG1 VAL 49 0.591 16.391 0.534 403 3HG1 VAL 49 3HG1 VAL 49 1.238 17.752 1.450 404 1HG2 VAL 49 1HG2 VAL 49 4.160 17.660 -0.978 405 2HG2 VAL 49 2HG2 VAL 49 3.340 16.273 -1.693 406 3HG2 VAL 49 3HG2 VAL 49 3.732 16.275 0.026 407 H VAL 50 H VAL 50 2.157 15.980 -3.541 408 HA VAL 50 HA VAL 50 0.464 13.671 -3.318 409 HB VAL 50 HB VAL 50 2.968 14.063 -4.962 410 1HG1 VAL 50 1HG1 VAL 50 1.132 11.801 -4.598 411 2HG1 VAL 50 2HG1 VAL 50 2.796 11.831 -5.178 412 3HG1 VAL 50 3HG1 VAL 50 1.472 12.219 -6.277 413 1HG2 VAL 50 1HG2 VAL 50 0.072 14.614 -5.492 414 2HG2 VAL 50 2HG2 VAL 50 1.183 14.255 -6.813 415 3HG2 VAL 50 3HG2 VAL 50 1.472 15.649 -5.773 416 H TYR 51 H TYR 51 1.034 11.595 -2.691 417 HA TYR 51 HA TYR 51 3.495 11.389 -1.081 418 1HB TYR 51 2HB TYR 51 0.748 10.236 -0.609 419 2HB TYR 51 1HB TYR 51 2.178 9.635 0.221 420 HD1 TYR 51 1HD TYR 51 -0.033 12.553 -0.207 421 HD2 TYR 51 2HD TYR 51 3.160 10.851 2.028 422 HE1 TYR 51 1HE TYR 51 -0.291 14.314 1.490 423 HE2 TYR 51 2HE TYR 51 2.913 12.606 3.731 424 HH TYR 51 HH TYR 51 0.239 14.577 3.961 425 H GLU 52 H GLU 52 4.912 10.224 -2.247 426 HA GLU 52 HA GLU 52 4.046 8.173 -4.076 427 1HB GLU 52 2HB GLU 52 6.472 7.846 -4.475 428 2HB GLU 52 1HB GLU 52 5.966 9.517 -4.679 429 1HG GLU 52 2HG GLU 52 6.933 10.155 -2.611 430 2HG GLU 52 1HG GLU 52 7.197 8.476 -2.143 431 H GLY 53 H GLY 53 3.902 6.040 -3.692 432 1HA GLY 53 2HA GLY 53 5.157 5.002 -1.239 433 2HA GLY 53 1HA GLY 53 3.477 4.652 -1.595 434 H GLN 54 H GLN 54 5.597 2.790 -1.179 435 HA GLN 54 HA GLN 54 5.457 1.366 -3.739 436 1HB GLN 54 2HB GLN 54 7.883 0.826 -2.170 437 2HB GLN 54 1HB GLN 54 7.686 1.030 -3.905 438 1HG GLN 54 2HG GLN 54 7.573 3.479 -3.554 439 2HG GLN 54 1HG GLN 54 7.911 3.213 -1.845 440 1HE2 GLN 54 1HE2 GLN 54 9.282 1.530 -4.621 441 2HE2 GLN 54 2HE2 GLN 54 10.913 2.030 -4.349 442 H LEU 55 H LEU 55 4.866 -0.731 -3.567 443 HA LEU 55 HA LEU 55 4.418 -1.762 -0.863 444 1HB LEU 55 2HB LEU 55 2.624 -1.608 -2.773 445 2HB LEU 55 1HB LEU 55 3.384 -3.077 -3.347 446 HG LEU 55 HG LEU 55 2.084 -4.258 -1.984 447 1HD1 LEU 55 1HD1 LEU 55 3.124 -2.669 0.355 448 2HD1 LEU 55 2HD1 LEU 55 3.967 -4.033 -0.380 449 3HD1 LEU 55 3HD1 LEU 55 2.400 -4.276 0.391 450 1HD2 LEU 55 1HD2 LEU 55 1.123 -1.530 -1.380 451 2HD2 LEU 55 2HD2 LEU 55 0.631 -2.816 -0.278 452 3HD2 LEU 55 3HD2 LEU 55 0.252 -2.935 -1.996 453 H ILE 56 H ILE 56 6.113 -2.867 -0.144 454 HA ILE 56 HA ILE 56 7.541 -4.648 -1.991 455 HB ILE 56 HB ILE 56 8.387 -3.567 0.701 456 1HG1 ILE 56 2HG1 ILE 56 10.242 -2.672 -1.025 457 2HG1 ILE 56 1HG1 ILE 56 8.863 -2.750 -2.117 458 1HG2 ILE 56 1HG2 ILE 56 9.207 -5.877 0.159 459 2HG2 ILE 56 2HG2 ILE 56 10.470 -4.673 0.408 460 3HG2 ILE 56 3HG2 ILE 56 10.044 -5.179 -1.227 461 1HD1 ILE 56 1HD1 ILE 56 8.841 -0.571 -1.304 462 2HD1 ILE 56 2HD1 ILE 56 9.219 -1.081 0.342 463 3HD1 ILE 56 3HD1 ILE 56 7.621 -1.399 -0.335 464 H SER 57 H SER 57 6.937 -6.699 -1.921 465 HA SER 57 HA SER 57 5.590 -7.767 0.409 466 1HB SER 57 2HB SER 57 6.281 -9.549 -1.861 467 2HB SER 57 1HB SER 57 4.766 -9.386 -0.970 468 HG SER 57 HG SER 57 4.636 -8.599 -3.135 469 H ILE 58 H ILE 58 6.618 -8.705 2.006 470 HA ILE 58 HA ILE 58 9.296 -9.825 1.514 471 HB ILE 58 HB ILE 58 8.079 -8.679 4.023 472 1HG1 ILE 58 2HG1 ILE 58 10.749 -7.880 3.023 473 2HG1 ILE 58 1HG1 ILE 58 9.381 -7.412 2.019 474 1HG2 ILE 58 1HG2 ILE 58 9.323 -10.080 5.221 475 2HG2 ILE 58 2HG2 ILE 58 10.748 -9.296 4.540 476 3HG2 ILE 58 3HG2 ILE 58 10.082 -10.737 3.771 477 1HD1 ILE 58 1HD1 ILE 58 8.365 -6.376 4.061 478 2HD1 ILE 58 2HD1 ILE 58 9.843 -5.610 3.477 479 3HD1 ILE 58 3HD1 ILE 58 9.898 -6.673 4.883 480 H GLN 59 H GLN 59 9.281 -11.951 1.311 481 HA GLN 59 HA GLN 59 7.238 -13.562 2.613 482 1HB GLN 59 2HB GLN 59 9.035 -13.862 0.325 483 2HB GLN 59 1HB GLN 59 8.949 -15.306 1.322 484 1HG GLN 59 2HG GLN 59 6.430 -13.954 0.489 485 2HG GLN 59 1HG GLN 59 7.301 -14.962 -0.665 486 1HE2 GLN 59 1HE2 GLN 59 6.171 -15.042 2.699 487 2HE2 GLN 59 2HE2 GLN 59 5.663 -16.693 2.669 488 H GLN 60 H GLN 60 8.319 -15.867 3.272 489 HA GLN 60 HA GLN 60 9.720 -15.320 5.678 490 1HB GLN 60 2HB GLN 60 9.472 -18.020 4.356 491 2HB GLN 60 1HB GLN 60 9.668 -17.673 6.068 492 1HG GLN 60 2HG GLN 60 7.394 -16.386 5.707 493 2HG GLN 60 1HG GLN 60 7.246 -17.518 4.364 494 1HE2 GLN 60 1HE2 GLN 60 8.651 -19.661 5.625 495 2HE2 GLN 60 2HE2 GLN 60 7.626 -20.286 6.866 496 H TYR 61 H TYR 61 10.742 -15.711 2.478 497 HA TYR 61 HA TYR 61 13.456 -16.490 3.271 498 1HB TYR 61 2HB TYR 61 12.079 -16.393 0.585 499 2HB TYR 61 1HB TYR 61 13.805 -16.686 0.767 500 HD1 TYR 61 1HD TYR 61 10.527 -17.997 1.997 501 HD2 TYR 61 2HD TYR 61 14.545 -18.871 0.912 502 HE1 TYR 61 1HE TYR 61 10.081 -20.396 2.303 503 HE2 TYR 61 2HE TYR 61 14.111 -21.273 1.214 504 HH TYR 61 HH TYR 61 12.652 -22.787 2.084 505 H GLY 62 H GLY 62 11.732 -13.748 2.991 506 1HA GLY 62 2HA GLY 62 12.947 -11.660 3.352 507 2HA GLY 62 1HA GLY 62 14.100 -12.202 2.143 508 H HIS 63 H HIS 63 13.261 -9.785 1.666 509 HA HIS 63 HA HIS 63 10.815 -9.401 0.372 510 1HB HIS 63 2HB HIS 63 11.892 -7.438 -0.689 511 2HB HIS 63 1HB HIS 63 12.204 -7.523 1.040 512 HD2 HIS 63 2HD HIS 63 14.285 -5.788 -0.550 513 HE1 HIS 63 1HE HIS 63 16.773 -9.210 -0.478 514 HE2 HIS 63 2HE HIS 63 16.667 -6.725 -0.968 515 H GLN 64 H GLN 64 10.166 -9.519 -1.782 516 HA GLN 64 HA GLN 64 12.017 -10.461 -3.796 517 1HB GLN 64 2HB GLN 64 10.016 -12.301 -4.186 518 2HB GLN 64 1HB GLN 64 11.581 -12.633 -3.461 519 1HG GLN 64 2HG GLN 64 10.469 -12.018 -1.238 520 2HG GLN 64 1HG GLN 64 8.943 -12.190 -2.107 521 1HE2 GLN 64 1HE2 GLN 64 11.909 -13.871 -1.220 522 2HE2 GLN 64 2HE2 GLN 64 11.235 -15.462 -1.259 523 H GLU 65 H GLU 65 9.541 -8.540 -2.956 524 HA GLU 65 HA GLU 65 8.737 -8.198 -5.742 525 1HB GLU 65 2HB GLU 65 7.107 -9.553 -3.948 526 2HB GLU 65 1HB GLU 65 6.447 -7.924 -3.971 527 1HG GLU 65 2HG GLU 65 6.387 -8.085 -6.472 528 2HG GLU 65 1HG GLU 65 6.811 -9.788 -6.301 529 H VAL 66 H VAL 66 8.649 -6.120 -6.314 530 HA VAL 66 HA VAL 66 8.164 -4.094 -4.247 531 HB VAL 66 HB VAL 66 10.300 -3.760 -6.352 532 1HG1 VAL 66 1HG1 VAL 66 9.431 -1.658 -5.675 533 2HG1 VAL 66 2HG1 VAL 66 10.956 -1.871 -4.814 534 3HG1 VAL 66 3HG1 VAL 66 9.427 -2.131 -3.975 535 1HG2 VAL 66 1HG2 VAL 66 11.358 -5.302 -5.034 536 2HG2 VAL 66 2HG2 VAL 66 10.430 -4.874 -3.596 537 3HG2 VAL 66 3HG2 VAL 66 11.746 -3.832 -4.139 538 H THR 67 H THR 67 6.757 -2.557 -4.846 539 HA THR 67 HA THR 67 6.251 -2.121 -7.707 540 HB THR 67 HB THR 67 3.872 -2.041 -5.939 541 HG1 THR 67 1HG THR 67 4.921 -4.017 -5.335 542 1HG2 THR 67 1HG2 THR 67 4.542 -2.556 -8.780 543 2HG2 THR 67 2HG2 THR 67 3.213 -1.633 -8.078 544 3HG2 THR 67 3HG2 THR 67 3.133 -3.394 -8.131 545 H ARG 68 H ARG 68 6.349 -0.014 -8.186 546 HA ARG 68 HA ARG 68 6.095 1.917 -5.991 547 1HB ARG 68 2HB ARG 68 7.256 2.379 -8.739 548 2HB ARG 68 1HB ARG 68 7.371 3.446 -7.344 549 1HG ARG 68 2HG ARG 68 8.725 1.803 -6.173 550 2HG ARG 68 1HG ARG 68 8.581 0.694 -7.537 551 1HD ARG 68 2HD ARG 68 9.896 3.409 -7.573 552 2HD ARG 68 1HD ARG 68 10.721 1.851 -7.580 553 HE ARG 68 HE ARG 68 8.867 2.322 -9.761 554 1HH1 ARG 68 1HH1 ARG 68 12.167 2.404 -8.639 555 2HH1 ARG 68 2HH1 ARG 68 12.845 2.375 -10.233 556 1HH2 ARG 68 1HH2 ARG 68 9.754 2.284 -11.864 557 2HH2 ARG 68 2HH2 ARG 68 11.474 2.307 -12.064 558 H PHE 69 H PHE 69 4.591 3.474 -5.965 559 HA PHE 69 HA PHE 69 3.063 4.161 -8.321 560 1HB PHE 69 2HB PHE 69 0.883 3.688 -7.003 561 2HB PHE 69 1HB PHE 69 1.699 2.340 -7.791 562 HD1 PHE 69 1HD PHE 69 1.566 4.101 -4.504 563 HD2 PHE 69 2HD PHE 69 2.099 0.423 -6.580 564 HE1 PHE 69 1HE PHE 69 1.658 2.906 -2.355 565 HE2 PHE 69 2HE PHE 69 2.189 -0.778 -4.433 566 HZ PHE 69 HZ PHE 69 1.968 0.463 -2.318 567 H ASP 70 H ASP 70 1.701 6.009 -8.016 568 HA ASP 70 HA ASP 70 2.494 7.632 -5.691 569 1HB ASP 70 2HB ASP 70 1.604 8.412 -8.474 570 2HB ASP 70 1HB ASP 70 1.733 9.570 -7.153 571 H PHE 71 H PHE 71 0.941 8.376 -4.300 572 HA PHE 71 HA PHE 71 -1.847 8.326 -5.112 573 1HB PHE 71 2HB PHE 71 -2.572 6.598 -3.821 574 2HB PHE 71 1HB PHE 71 -0.928 6.029 -4.087 575 HD1 PHE 71 1HD PHE 71 0.819 6.564 -2.310 576 HD2 PHE 71 2HD PHE 71 -3.370 6.984 -1.669 577 HE1 PHE 71 1HE PHE 71 1.189 6.521 0.121 578 HE2 PHE 71 2HE PHE 71 -3.005 6.946 0.763 579 HZ PHE 71 HZ PHE 71 -0.723 6.712 1.661 580 H THR 72 H THR 72 -3.273 9.396 -3.685 581 HA THR 72 HA THR 72 -2.173 10.773 -1.378 582 HB THR 72 HB THR 72 -3.662 12.735 -2.835 583 HG1 THR 72 1HG THR 72 -2.620 11.283 -4.579 584 1HG2 THR 72 1HG2 THR 72 -1.859 14.115 -2.303 585 2HG2 THR 72 2HG2 THR 72 -0.701 12.784 -2.363 586 3HG2 THR 72 3HG2 THR 72 -1.838 12.905 -1.019 587 H THR 73 H THR 73 -3.936 12.023 -0.229 588 HA THR 73 HA THR 73 -6.030 10.416 0.496 589 HB THR 73 HB THR 73 -5.620 12.212 1.932 590 HG1 THR 73 1HG THR 73 -7.876 13.399 0.818 591 1HG2 THR 73 1HG2 THR 73 -5.105 14.332 1.334 592 2HG2 THR 73 2HG2 THR 73 -6.352 14.397 0.089 593 3HG2 THR 73 3HG2 THR 73 -4.818 13.594 -0.241 594 H THR 74 H THR 74 -6.123 13.023 -1.927 595 HA THR 74 HA THR 74 -8.069 11.668 -3.496 596 HB THR 74 HB THR 74 -9.629 12.403 -1.804 597 HG1 THR 74 1HG THR 74 -10.940 12.856 -3.391 598 1HG2 THR 74 1HG2 THR 74 -8.145 14.956 -2.053 599 2HG2 THR 74 2HG2 THR 74 -8.861 14.195 -0.633 600 3HG2 THR 74 3HG2 THR 74 -9.883 15.067 -1.776 601 H SER 75 H SER 75 -5.637 12.597 -4.198 602 HA SER 75 HA SER 75 -6.318 14.695 -6.116 603 1HB SER 75 2HB SER 75 -5.222 15.787 -4.149 604 2HB SER 75 1HB SER 75 -3.794 14.796 -4.447 605 HG SER 75 HG SER 75 -3.789 15.760 -6.596 606 H THR 76 H THR 76 -4.423 11.976 -5.140 607 HA THR 76 HA THR 76 -3.033 10.547 -6.227 608 HB THR 76 HB THR 76 -4.169 11.264 -8.883 609 HG1 THR 76 1HG THR 76 -5.684 9.952 -6.853 610 1HG2 THR 76 1HG2 THR 76 -4.220 8.537 -7.714 611 2HG2 THR 76 2HG2 THR 76 -2.639 9.236 -8.060 612 3HG2 THR 76 3HG2 THR 76 -3.826 9.060 -9.352 613 H SER 77 H SER 77 -3.195 12.300 -9.223 614 HA SER 77 HA SER 77 -0.833 13.861 -8.740 615 1HB SER 77 2HB SER 77 -0.456 11.201 -9.564 616 2HB SER 77 1HB SER 77 -0.198 12.183 -11.005 617 HG SER 77 HG SER 77 1.141 12.321 -8.520 618 H THR 78 H THR 78 -1.452 12.468 -11.881 619 HA THR 78 HA THR 78 -3.226 14.536 -12.757 620 HB THR 78 HB THR 78 -0.851 14.756 -14.427 621 HG1 THR 78 1HG THR 78 0.564 15.355 -12.965 622 1HG2 THR 78 1HG2 THR 78 -3.021 16.193 -14.224 623 2HG2 THR 78 2HG2 THR 78 -1.479 16.978 -14.557 624 3HG2 THR 78 3HG2 THR 78 -2.142 16.995 -12.923 625 HA PRO 79 HA PRO 79 -2.005 11.667 -16.501 626 1HB PRO 79 2HB PRO 79 -0.565 9.434 -15.820 627 2HB PRO 79 1HB PRO 79 0.152 10.917 -16.458 628 1HG PRO 79 2HG PRO 79 -0.055 9.974 -13.628 629 2HG PRO 79 1HG PRO 79 1.305 10.762 -14.451 630 1HD PRO 79 2HD PRO 79 -0.333 12.111 -12.797 631 2HD PRO 79 1HD PRO 79 0.377 12.869 -14.235 632 H GLY 80 H GLY 80 -3.686 10.433 -17.053 633 1HA GLY 80 2HA GLY 80 -5.192 9.078 -14.978 634 2HA GLY 80 1HA GLY 80 -5.680 9.296 -16.652 635 H SER 81 H SER 81 -3.092 8.205 -17.624 636 HA SER 81 HA SER 81 -3.048 5.469 -16.695 637 1HB SER 81 2HB SER 81 -4.797 6.140 -18.795 638 2HB SER 81 1HB SER 81 -3.416 5.349 -19.556 639 HG SER 81 HG SER 81 -3.789 3.543 -18.382 640 H ARG 82 H ARG 82 -1.177 4.401 -17.229 641 HA ARG 82 HA ARG 82 0.805 5.974 -18.737 642 1HB ARG 82 2HB ARG 82 2.441 4.458 -17.381 643 2HB ARG 82 1HB ARG 82 1.699 5.851 -16.604 644 1HG ARG 82 2HG ARG 82 0.202 4.518 -15.390 645 2HG ARG 82 1HG ARG 82 0.499 3.109 -16.410 646 1HD ARG 82 2HD ARG 82 1.588 3.278 -14.040 647 2HD ARG 82 1HD ARG 82 2.508 2.632 -15.398 648 HE ARG 82 HE ARG 82 2.756 5.470 -14.698 649 1HH1 ARG 82 1HH1 ARG 82 4.156 2.290 -14.975 650 2HH1 ARG 82 2HH1 ARG 82 5.785 2.851 -14.792 651 1HH2 ARG 82 1HH2 ARG 82 4.897 6.217 -14.460 652 2HH2 ARG 82 2HH2 ARG 82 6.206 5.083 -14.500 653 H SER 83 H SER 83 -0.705 4.610 -20.374 654 HA SER 83 HA SER 83 -0.777 3.018 -21.995 655 1HB SER 83 2HB SER 83 2.034 2.170 -21.601 656 2HB SER 83 1HB SER 83 1.203 2.680 -23.070 657 HG SER 83 HG SER 83 1.708 4.715 -22.673 658 H HIS 84 H HIS 84 -2.060 1.935 -20.176 659 HA HIS 84 HA HIS 84 -0.789 -0.437 -19.075 660 1HB HIS 84 2HB HIS 84 -2.921 1.242 -18.284 661 2HB HIS 84 1HB HIS 84 -3.623 -0.340 -18.598 662 HD2 HIS 84 2HD HIS 84 -0.058 -0.113 -17.054 663 HE1 HIS 84 1HE HIS 84 -2.777 -1.433 -14.091 664 HE2 HIS 84 2HE HIS 84 -0.330 -1.213 -14.720 665 H HIS 85 H HIS 85 -0.808 -0.566 -21.801 666 HA HIS 85 HA HIS 85 -1.309 -1.946 -23.531 667 1HB HIS 85 2HB HIS 85 -2.431 -3.524 -21.231 668 2HB HIS 85 1HB HIS 85 -2.591 -4.100 -22.887 669 HD2 HIS 85 2HD HIS 85 0.471 -3.319 -23.865 670 HE1 HIS 85 1HE HIS 85 1.555 -5.945 -20.727 671 HE2 HIS 85 2HE HIS 85 2.291 -4.910 -22.922 672 H HIS 86 H HIS 86 -2.636 -1.161 -25.012 673 HA HIS 86 HA HIS 86 -5.186 -0.098 -24.510 674 1HB HIS 86 2HB HIS 86 -3.424 -0.175 -26.668 675 2HB HIS 86 1HB HIS 86 -4.861 -1.011 -27.249 676 HD2 HIS 86 2HD HIS 86 -4.328 2.391 -25.291 677 HE1 HIS 86 1HE HIS 86 -7.185 2.882 -28.373 678 HE2 HIS 86 2HE HIS 86 -5.787 4.071 -26.624 679 H HIS 87 H HIS 87 -4.151 -3.329 -24.962 680 HA HIS 87 HA HIS 87 -6.937 -4.199 -25.358 681 1HB HIS 87 2HB HIS 87 -4.368 -5.626 -26.072 682 2HB HIS 87 1HB HIS 87 -5.978 -6.319 -26.235 683 HD2 HIS 87 2HD HIS 87 -4.232 -6.005 -28.906 684 HE1 HIS 87 1HE HIS 87 -6.718 -2.666 -29.668 685 HE2 HIS 87 2HE HIS 87 -5.259 -4.457 -30.715 686 H HIS 88 H HIS 88 -7.818 -5.698 -23.988 687 HA HIS 88 HA HIS 88 -6.136 -6.778 -21.847 688 1HB HIS 88 2HB HIS 88 -7.765 -4.587 -21.426 689 2HB HIS 88 1HB HIS 88 -8.767 -5.931 -20.891 690 HD2 HIS 88 2HD HIS 88 -4.936 -5.170 -20.242 691 HE1 HIS 88 1HE HIS 88 -6.916 -6.035 -16.603 692 HE2 HIS 88 2HE HIS 88 -4.669 -5.604 -17.698 693 H HIS 89 H HIS 89 -6.331 -8.900 -22.139 694 HA HIS 89 HA HIS 89 -9.038 -10.027 -22.316 695 1HB HIS 89 2HB HIS 89 -7.824 -10.008 -24.552 696 2HB HIS 89 1HB HIS 89 -6.697 -11.161 -23.846 697 HD2 HIS 89 2HD HIS 89 -7.836 -12.768 -26.018 698 HE1 HIS 89 1HE HIS 89 -11.205 -13.723 -23.640 699 HE2 HIS 89 2HE HIS 89 -9.787 -14.431 -25.619 Start of MODEL 24 1 1H MET 1 1HT MET 1 -24.966 -2.711 -6.777 2 2H MET 1 2HT MET 1 -24.274 -1.168 -6.793 3 3H MET 1 3HT MET 1 -25.759 -1.422 -6.023 4 HA MET 1 HA MET 1 -24.150 -1.268 -4.325 5 1HB MET 1 2HB MET 1 -24.486 -4.231 -4.660 6 2HB MET 1 1HB MET 1 -24.609 -3.261 -3.198 7 1HG MET 1 2HG MET 1 -26.626 -2.329 -4.896 8 2HG MET 1 1HG MET 1 -26.662 -4.087 -5.024 9 1HE MET 1 1HE MET 1 -29.587 -3.427 -2.576 10 2HE MET 1 2HE MET 1 -29.101 -3.694 -4.250 11 3HE MET 1 3HE MET 1 -29.082 -2.065 -3.576 12 H ARG 2 H ARG 2 -22.461 -3.169 -3.334 13 HA ARG 2 HA ARG 2 -20.371 -3.545 -5.356 14 1HB ARG 2 2HB ARG 2 -20.289 -1.706 -3.102 15 2HB ARG 2 1HB ARG 2 -18.967 -2.865 -3.055 16 1HG ARG 2 2HG ARG 2 -17.945 -1.345 -4.351 17 2HG ARG 2 1HG ARG 2 -18.853 -2.136 -5.641 18 1HD ARG 2 2HD ARG 2 -18.976 0.382 -5.602 19 2HD ARG 2 1HD ARG 2 -20.525 -0.461 -5.618 20 HE ARG 2 HE ARG 2 -20.160 -0.074 -3.002 21 1HH1 ARG 2 1HH1 ARG 2 -19.798 2.101 -5.702 22 2HH1 ARG 2 2HH1 ARG 2 -20.230 3.509 -4.790 23 1HH2 ARG 2 1HH2 ARG 2 -20.733 1.774 -1.797 24 2HH2 ARG 2 2HH2 ARG 2 -20.762 3.323 -2.572 25 H GLY 3 H GLY 3 -19.482 -5.508 -5.269 26 1HA GLY 3 2HA GLY 3 -18.808 -6.921 -2.951 27 2HA GLY 3 1HA GLY 3 -20.398 -7.470 -3.461 28 H SER 4 H SER 4 -17.052 -7.761 -3.906 29 HA SER 4 HA SER 4 -17.458 -9.850 -5.873 30 1HB SER 4 2HB SER 4 -17.143 -8.099 -7.431 31 2HB SER 4 1HB SER 4 -15.879 -7.348 -6.457 32 HG SER 4 HG SER 4 -14.532 -8.483 -7.582 33 H ASN 5 H ASN 5 -16.041 -11.485 -5.618 34 HA ASN 5 HA ASN 5 -13.862 -11.065 -3.684 35 1HB ASN 5 2HB ASN 5 -14.060 -13.690 -3.597 36 2HB ASN 5 1HB ASN 5 -15.176 -12.676 -2.686 37 1HD2 ASN 5 1HD2 ASN 5 -14.813 -14.962 -5.200 38 2HD2 ASN 5 2HD2 ASN 5 -16.481 -15.091 -5.631 39 H ALA 6 H ALA 6 -12.021 -12.677 -3.972 40 HA ALA 6 HA ALA 6 -11.477 -13.352 -6.756 41 1HB ALA 6 1HB ALA 6 -10.408 -11.363 -6.969 42 2HB ALA 6 2HB ALA 6 -9.094 -12.273 -6.222 43 3HB ALA 6 3HB ALA 6 -10.104 -11.214 -5.238 44 HA PRO 7 HA PRO 7 -9.998 -16.990 -4.627 45 1HB PRO 7 2HB PRO 7 -8.617 -17.444 -7.217 46 2HB PRO 7 1HB PRO 7 -9.700 -18.510 -6.316 47 1HG PRO 7 2HG PRO 7 -10.537 -17.273 -8.520 48 2HG PRO 7 1HG PRO 7 -11.610 -17.466 -7.120 49 1HD PRO 7 2HD PRO 7 -10.108 -15.048 -8.041 50 2HD PRO 7 1HD PRO 7 -11.746 -15.169 -7.361 51 H GLN 8 H GLN 8 -8.246 -17.342 -3.411 52 HA GLN 8 HA GLN 8 -5.668 -16.221 -4.269 53 1HB GLN 8 2HB GLN 8 -6.632 -16.111 -1.413 54 2HB GLN 8 1HB GLN 8 -5.211 -15.337 -2.099 55 1HG GLN 8 2HG GLN 8 -7.433 -14.400 -3.555 56 2HG GLN 8 1HG GLN 8 -7.865 -14.331 -1.846 57 1HE2 GLN 8 1HE2 GLN 8 -7.307 -12.194 -3.789 58 2HE2 GLN 8 2HE2 GLN 8 -6.043 -11.247 -3.089 59 HA PRO 9 HA PRO 9 -4.897 -20.594 -3.281 60 1HB PRO 9 2HB PRO 9 -2.566 -20.754 -4.662 61 2HB PRO 9 1HB PRO 9 -4.150 -20.878 -5.437 62 1HG PRO 9 2HG PRO 9 -2.318 -18.515 -5.235 63 2HG PRO 9 1HG PRO 9 -3.236 -19.101 -6.636 64 1HD PRO 9 2HD PRO 9 -4.077 -17.024 -5.125 65 2HD PRO 9 1HD PRO 9 -5.208 -18.151 -5.899 66 H SER 10 H SER 10 -2.308 -18.137 -3.330 67 HA SER 10 HA SER 10 -1.464 -19.091 -0.682 68 1HB SER 10 2HB SER 10 0.300 -18.589 -3.083 69 2HB SER 10 1HB SER 10 0.927 -18.645 -1.436 70 HG SER 10 HG SER 10 0.853 -20.732 -1.543 71 H HIS 11 H HIS 11 0.253 -17.447 0.210 72 HA HIS 11 HA HIS 11 -0.226 -14.712 -0.603 73 1HB HIS 11 2HB HIS 11 -0.845 -14.143 1.849 74 2HB HIS 11 1HB HIS 11 -2.095 -14.783 0.788 75 HD2 HIS 11 2HD HIS 11 0.126 -15.963 3.793 76 HE1 HIS 11 1HE HIS 11 -3.157 -18.591 3.319 77 HE2 HIS 11 2HE HIS 11 -1.273 -17.872 4.855 78 H ILE 12 H ILE 12 1.276 -13.249 0.207 79 HA ILE 12 HA ILE 12 3.814 -14.346 0.885 80 HB ILE 12 HB ILE 12 3.781 -12.361 -0.440 81 1HG1 ILE 12 2HG1 ILE 12 4.696 -10.846 1.833 82 2HG1 ILE 12 1HG1 ILE 12 5.207 -12.524 1.995 83 1HG2 ILE 12 1HG2 ILE 12 2.455 -10.576 -0.125 84 2HG2 ILE 12 2HG2 ILE 12 2.730 -10.548 1.617 85 3HG2 ILE 12 3HG2 ILE 12 1.554 -11.668 0.928 86 1HD1 ILE 12 1HD1 ILE 12 6.796 -12.247 0.486 87 2HD1 ILE 12 2HD1 ILE 12 6.418 -10.525 0.494 88 3HD1 ILE 12 3HD1 ILE 12 5.650 -11.591 -0.682 89 H SER 13 H SER 13 5.061 -13.914 2.789 90 HA SER 13 HA SER 13 3.815 -14.466 5.195 91 1HB SER 13 2HB SER 13 6.459 -13.102 4.643 92 2HB SER 13 1HB SER 13 5.946 -13.606 6.252 93 HG SER 13 HG SER 13 5.604 -15.655 4.600 94 H LYS 14 H LYS 14 4.670 -11.330 3.783 95 HA LYS 14 HA LYS 14 2.563 -9.994 5.109 96 1HB LYS 14 2HB LYS 14 3.700 -8.673 6.720 97 2HB LYS 14 1HB LYS 14 4.178 -10.338 7.014 98 1HG LYS 14 2HG LYS 14 6.135 -9.536 5.324 99 2HG LYS 14 1HG LYS 14 5.781 -8.032 6.177 100 1HD LYS 14 2HD LYS 14 5.841 -9.774 8.245 101 2HD LYS 14 1HD LYS 14 7.009 -10.526 7.155 102 1HE LYS 14 2HE LYS 14 8.218 -8.393 7.007 103 2HE LYS 14 1HE LYS 14 7.065 -7.670 8.128 104 1HZ LYS 14 1HZ LYS 14 7.796 -9.665 9.619 105 2HZ LYS 14 2HZ LYS 14 8.744 -8.266 9.538 106 3HZ LYS 14 3HZ LYS 14 9.181 -9.635 8.646 107 H TYR 15 H TYR 15 2.289 -7.865 4.436 108 HA TYR 15 HA TYR 15 3.970 -7.044 2.163 109 1HB TYR 15 2HB TYR 15 1.109 -7.124 2.606 110 2HB TYR 15 1HB TYR 15 1.618 -5.483 2.236 111 HD1 TYR 15 1HD TYR 15 0.263 -8.235 0.791 112 HD2 TYR 15 2HD TYR 15 3.534 -5.581 0.201 113 HE1 TYR 15 1HE TYR 15 0.258 -8.771 -1.609 114 HE2 TYR 15 2HE TYR 15 3.540 -6.110 -2.199 115 HH TYR 15 HH TYR 15 0.994 -7.828 -3.709 116 H ILE 16 H ILE 16 5.042 -5.098 2.255 117 HA ILE 16 HA ILE 16 4.557 -3.445 4.649 118 HB ILE 16 HB ILE 16 7.088 -4.168 3.233 119 1HG1 ILE 16 2HG1 ILE 16 6.199 -5.204 5.408 120 2HG1 ILE 16 1HG1 ILE 16 7.874 -4.660 5.400 121 1HG2 ILE 16 1HG2 ILE 16 6.452 -1.499 4.353 122 2HG2 ILE 16 2HG2 ILE 16 7.584 -1.957 3.080 123 3HG2 ILE 16 3HG2 ILE 16 8.020 -2.189 4.772 124 1HD1 ILE 16 1HD1 ILE 16 5.961 -2.636 6.292 125 2HD1 ILE 16 2HD1 ILE 16 7.504 -3.132 6.988 126 3HD1 ILE 16 3HD1 ILE 16 6.046 -4.069 7.317 127 H LEU 17 H LEU 17 3.680 -1.539 4.276 128 HA LEU 17 HA LEU 17 3.931 -0.352 1.603 129 1HB LEU 17 2HB LEU 17 1.705 -0.798 3.148 130 2HB LEU 17 1HB LEU 17 2.067 0.881 3.502 131 HG LEU 17 HG LEU 17 2.089 0.192 0.639 132 1HD1 LEU 17 1HD1 LEU 17 -0.087 -0.349 0.342 133 2HD1 LEU 17 2HD1 LEU 17 -0.621 0.555 1.758 134 3HD1 LEU 17 3HD1 LEU 17 0.112 -1.037 1.953 135 1HD2 LEU 17 1HD2 LEU 17 0.822 2.316 0.536 136 2HD2 LEU 17 2HD2 LEU 17 2.368 2.472 1.370 137 3HD2 LEU 17 3HD2 LEU 17 0.870 2.396 2.298 138 H ARG 18 H ARG 18 5.446 1.148 1.431 139 HA ARG 18 HA ARG 18 5.988 2.877 3.750 140 1HB ARG 18 2HB ARG 18 7.883 2.131 1.517 141 2HB ARG 18 1HB ARG 18 8.266 3.131 2.911 142 1HG ARG 18 2HG ARG 18 8.485 1.360 4.295 143 2HG ARG 18 1HG ARG 18 7.220 0.433 3.485 144 1HD ARG 18 2HD ARG 18 8.860 -0.774 2.580 145 2HD ARG 18 1HD ARG 18 9.202 0.633 1.575 146 HE ARG 18 HE ARG 18 10.778 1.291 3.431 147 1HH1 ARG 18 1HH1 ARG 18 9.952 -2.032 2.781 148 2HH1 ARG 18 2HH1 ARG 18 11.438 -2.659 3.412 149 1HH2 ARG 18 1HH2 ARG 18 12.740 0.472 4.260 150 2HH2 ARG 18 2HH2 ARG 18 13.022 -1.237 4.252 151 H TRP 19 H TRP 19 5.670 5.007 3.503 152 HA TRP 19 HA TRP 19 5.864 6.229 0.896 153 1HB TRP 19 2HB TRP 19 3.628 7.047 0.747 154 2HB TRP 19 1HB TRP 19 3.529 5.311 1.013 155 HD1 TRP 19 HD TRP 19 2.436 8.595 2.453 156 HE1 TRP 19 1HE TRP 19 1.040 8.190 4.577 157 HE3 TRP 19 3HE TRP 19 3.382 3.615 3.110 158 HZ2 TRP 19 2HZ TRP 19 0.421 6.043 6.303 159 HZ3 TRP 19 3HZ TRP 19 2.349 2.459 5.021 160 HH2 TRP 19 HH TRP 19 0.899 3.649 6.583 161 H ARG 20 H ARG 20 5.695 8.537 0.946 162 HA ARG 20 HA ARG 20 5.639 9.941 3.450 163 1HB ARG 20 2HB ARG 20 7.848 10.376 3.774 164 2HB ARG 20 1HB ARG 20 8.056 8.862 2.908 165 1HG ARG 20 2HG ARG 20 7.902 10.804 0.919 166 2HG ARG 20 1HG ARG 20 8.892 11.524 2.190 167 1HD ARG 20 2HD ARG 20 10.621 10.244 1.635 168 2HD ARG 20 1HD ARG 20 9.643 8.784 1.793 169 HE ARG 20 HE ARG 20 8.924 9.234 -0.554 170 1HH1 ARG 20 1HH1 ARG 20 11.945 10.488 0.649 171 2HH1 ARG 20 2HH1 ARG 20 12.684 10.562 -0.915 172 1HH2 ARG 20 1HH2 ARG 20 9.886 9.329 -2.614 173 2HH2 ARG 20 2HH2 ARG 20 11.513 9.902 -2.771 174 HA PRO 21 HA PRO 21 4.362 13.331 0.922 175 1HB PRO 21 2HB PRO 21 6.485 15.054 2.081 176 2HB PRO 21 1HB PRO 21 4.735 15.295 2.047 177 1HG PRO 21 2HG PRO 21 5.975 14.594 4.301 178 2HG PRO 21 1HG PRO 21 4.379 13.936 3.891 179 1HD PRO 21 2HD PRO 21 7.070 12.647 3.694 180 2HD PRO 21 1HD PRO 21 5.515 11.943 4.182 181 H LYS 22 H LYS 22 4.827 13.170 -1.183 182 HA LYS 22 HA LYS 22 7.251 12.651 -2.371 183 1HB LYS 22 2HB LYS 22 4.814 12.780 -3.338 184 2HB LYS 22 1HB LYS 22 5.288 14.413 -3.786 185 1HG LYS 22 2HG LYS 22 7.199 13.494 -5.032 186 2HG LYS 22 1HG LYS 22 6.658 11.866 -4.622 187 1HD LYS 22 2HD LYS 22 5.398 11.905 -6.456 188 2HD LYS 22 1HD LYS 22 4.409 13.144 -5.678 189 1HE LYS 22 2HE LYS 22 5.850 14.882 -6.611 190 2HE LYS 22 1HE LYS 22 6.853 13.650 -7.376 191 1HZ LYS 22 1HZ LYS 22 4.769 14.882 -8.547 192 2HZ LYS 22 2HZ LYS 22 4.044 13.452 -8.006 193 3HZ LYS 22 3HZ LYS 22 5.391 13.383 -9.027 194 H ASN 23 H ASN 23 5.975 15.732 -1.308 195 HA ASN 23 HA ASN 23 7.839 17.360 -2.712 196 1HB ASN 23 2HB ASN 23 5.678 18.201 -1.812 197 2HB ASN 23 1HB ASN 23 6.312 18.006 -0.180 198 1HD2 ASN 23 1HD2 ASN 23 7.847 19.224 -3.125 199 2HD2 ASN 23 2HD2 ASN 23 8.227 20.786 -2.491 200 H SER 24 H SER 24 7.799 15.847 0.464 201 HA SER 24 HA SER 24 10.349 17.053 1.180 202 1HB SER 24 2HB SER 24 8.136 16.081 2.635 203 2HB SER 24 1HB SER 24 9.491 15.023 3.027 204 HG SER 24 HG SER 24 9.022 17.393 4.007 205 H VAL 25 H VAL 25 11.752 15.238 2.484 206 HA VAL 25 HA VAL 25 12.111 12.968 0.643 207 HB VAL 25 HB VAL 25 14.563 13.190 0.900 208 1HG1 VAL 25 1HG1 VAL 25 12.819 14.792 -0.664 209 2HG1 VAL 25 2HG1 VAL 25 14.448 14.238 -1.051 210 3HG1 VAL 25 3HG1 VAL 25 14.214 15.775 -0.218 211 1HG2 VAL 25 1HG2 VAL 25 14.262 14.589 3.056 212 2HG2 VAL 25 2HG2 VAL 25 14.136 15.961 1.955 213 3HG2 VAL 25 3HG2 VAL 25 15.597 14.973 1.970 214 H GLY 26 H GLY 26 11.094 13.574 3.546 215 1HA GLY 26 2HA GLY 26 12.380 11.193 4.685 216 2HA GLY 26 1HA GLY 26 12.361 12.672 5.634 217 H ARG 27 H ARG 27 11.211 11.397 7.221 218 HA ARG 27 HA ARG 27 9.345 10.750 8.340 219 1HB ARG 27 2HB ARG 27 7.818 12.418 6.341 220 2HB ARG 27 1HB ARG 27 7.332 12.003 7.979 221 1HG ARG 27 2HG ARG 27 8.430 13.730 8.845 222 2HG ARG 27 1HG ARG 27 9.883 13.380 7.906 223 1HD ARG 27 2HD ARG 27 9.148 14.640 6.079 224 2HD ARG 27 1HD ARG 27 7.476 14.638 6.638 225 HE ARG 27 HE ARG 27 7.943 16.493 7.882 226 1HH1 ARG 27 1HH1 ARG 27 10.945 14.913 7.078 227 2HH1 ARG 27 2HH1 ARG 27 11.933 16.173 7.737 228 1HH2 ARG 27 1HH2 ARG 27 9.238 18.157 8.747 229 2HH2 ARG 27 2HH2 ARG 27 10.963 18.017 8.686 230 H TRP 28 H TRP 28 9.879 8.620 7.298 231 HA TRP 28 HA TRP 28 8.113 7.754 5.171 232 1HB TRP 28 2HB TRP 28 10.361 6.515 6.713 233 2HB TRP 28 1HB TRP 28 9.234 5.466 5.860 234 HD1 TRP 28 HD TRP 28 12.287 7.520 5.334 235 HE1 TRP 28 1HE TRP 28 12.909 7.561 2.839 236 HE3 TRP 28 3HE TRP 28 7.986 5.551 3.389 237 HZ2 TRP 28 2HZ TRP 28 11.735 6.854 0.371 238 HZ3 TRP 28 3HZ TRP 28 7.817 5.269 0.950 239 HH2 TRP 28 HH TRP 28 9.653 5.908 -0.526 240 H LYS 29 H LYS 29 6.790 5.772 5.436 241 HA LYS 29 HA LYS 29 5.823 5.305 8.157 242 1HB LYS 29 2HB LYS 29 4.081 6.123 5.826 243 2HB LYS 29 1HB LYS 29 3.454 5.410 7.307 244 1HG LYS 29 2HG LYS 29 4.279 7.285 8.596 245 2HG LYS 29 1HG LYS 29 5.005 7.987 7.149 246 1HD LYS 29 2HD LYS 29 3.013 8.717 6.339 247 2HD LYS 29 1HD LYS 29 2.119 7.351 7.010 248 1HE LYS 29 2HE LYS 29 1.339 9.021 8.356 249 2HE LYS 29 1HE LYS 29 2.743 8.514 9.295 250 1HZ LYS 29 1HZ LYS 29 3.866 10.338 7.750 251 2HZ LYS 29 2HZ LYS 29 3.153 10.719 9.235 252 3HZ LYS 29 3HZ LYS 29 2.297 10.972 7.798 253 H GLU 30 H GLU 30 5.364 3.190 8.527 254 HA GLU 30 HA GLU 30 5.308 1.425 6.167 255 1HB GLU 30 2HB GLU 30 6.223 -0.287 7.949 256 2HB GLU 30 1HB GLU 30 7.306 0.805 7.099 257 1HG GLU 30 2HG GLU 30 7.507 2.224 8.964 258 2HG GLU 30 1HG GLU 30 6.138 1.473 9.781 259 H ALA 31 H ALA 31 3.712 0.021 5.970 260 HA ALA 31 HA ALA 31 1.985 -0.542 8.283 261 1HB ALA 31 1HB ALA 31 0.210 -0.605 6.218 262 2HB ALA 31 2HB ALA 31 1.253 0.735 5.742 263 3HB ALA 31 3HB ALA 31 0.436 0.765 7.305 264 H THR 32 H THR 32 2.209 -2.661 8.643 265 HA THR 32 HA THR 32 2.832 -4.441 6.433 266 HB THR 32 HB THR 32 2.675 -5.039 9.389 267 HG1 THR 32 1HG THR 32 4.701 -4.423 9.433 268 1HG2 THR 32 1HG2 THR 32 2.444 -7.150 8.548 269 2HG2 THR 32 2HG2 THR 32 4.194 -7.007 8.378 270 3HG2 THR 32 3HG2 THR 32 3.146 -6.721 6.988 271 H ILE 33 H ILE 33 1.530 -5.866 5.551 272 HA ILE 33 HA ILE 33 -0.962 -6.609 6.896 273 HB ILE 33 HB ILE 33 -1.069 -6.193 3.944 274 1HG1 ILE 33 2HG1 ILE 33 -2.046 -3.858 5.367 275 2HG1 ILE 33 1HG1 ILE 33 -0.316 -4.078 5.610 276 1HG2 ILE 33 1HG2 ILE 33 -3.426 -5.361 4.908 277 2HG2 ILE 33 2HG2 ILE 33 -2.933 -6.434 6.218 278 3HG2 ILE 33 3HG2 ILE 33 -3.060 -7.054 4.573 279 1HD1 ILE 33 1HD1 ILE 33 -1.624 -4.053 2.907 280 2HD1 ILE 33 2HD1 ILE 33 0.099 -3.986 3.274 281 3HD1 ILE 33 3HD1 ILE 33 -0.944 -2.624 3.686 282 HA PRO 34 HA PRO 34 1.166 -10.431 5.693 283 1HB PRO 34 2HB PRO 34 -1.149 -11.578 7.141 284 2HB PRO 34 1HB PRO 34 0.573 -11.884 7.363 285 1HG PRO 34 2HG PRO 34 -0.788 -10.431 9.130 286 2HG PRO 34 1HG PRO 34 0.869 -9.989 8.673 287 1HD PRO 34 2HD PRO 34 -1.728 -8.793 7.778 288 2HD PRO 34 1HD PRO 34 -0.201 -7.986 8.201 289 H GLY 35 H GLY 35 0.829 -10.674 3.532 290 1HA GLY 35 2HA GLY 35 -0.148 -11.467 1.610 291 2HA GLY 35 1HA GLY 35 -1.266 -12.347 2.641 292 H HIS 36 H HIS 36 -3.279 -11.493 3.090 293 HA HIS 36 HA HIS 36 -4.056 -8.847 2.467 294 1HB HIS 36 2HB HIS 36 -3.813 -10.304 0.189 295 2HB HIS 36 1HB HIS 36 -5.490 -10.637 0.606 296 HD2 HIS 36 2HD HIS 36 -5.180 -7.219 1.808 297 HE1 HIS 36 1HE HIS 36 -5.890 -6.795 -2.342 298 HE2 HIS 36 2HE HIS 36 -6.020 -5.655 -0.082 299 H LEU 37 H LEU 37 -5.388 -8.593 4.135 300 HA LEU 37 HA LEU 37 -7.036 -10.761 5.104 301 1HB LEU 37 2HB LEU 37 -6.723 -7.889 5.971 302 2HB LEU 37 1HB LEU 37 -7.804 -9.022 6.756 303 HG LEU 37 HG LEU 37 -5.747 -10.468 7.184 304 1HD1 LEU 37 1HD1 LEU 37 -4.492 -8.759 5.500 305 2HD1 LEU 37 2HD1 LEU 37 -3.671 -9.753 6.704 306 3HD1 LEU 37 3HD1 LEU 37 -4.056 -8.070 7.064 307 1HD2 LEU 37 1HD2 LEU 37 -6.452 -7.886 8.459 308 2HD2 LEU 37 2HD2 LEU 37 -4.966 -8.681 8.983 309 3HD2 LEU 37 3HD2 LEU 37 -6.510 -9.525 9.109 310 H ASN 38 H ASN 38 -7.436 -7.787 3.307 311 HA ASN 38 HA ASN 38 -9.833 -8.552 2.084 312 1HB ASN 38 2HB ASN 38 -11.241 -6.670 3.257 313 2HB ASN 38 1HB ASN 38 -11.112 -8.259 4.002 314 1HD2 ASN 38 1HD2 ASN 38 -10.198 -4.920 4.202 315 2HD2 ASN 38 2HD2 ASN 38 -9.536 -4.983 5.795 316 H SER 39 H SER 39 -10.163 -5.313 2.977 317 HA SER 39 HA SER 39 -8.580 -4.430 0.660 318 1HB SER 39 2HB SER 39 -11.251 -3.348 1.602 319 2HB SER 39 1HB SER 39 -10.294 -2.686 0.276 320 HG SER 39 HG SER 39 -11.998 -4.172 -0.352 321 H TYR 40 H TYR 40 -6.833 -3.509 1.546 322 HA TYR 40 HA TYR 40 -7.161 -1.816 3.914 323 1HB TYR 40 2HB TYR 40 -5.392 -3.718 3.669 324 2HB TYR 40 1HB TYR 40 -4.505 -2.535 2.715 325 HD1 TYR 40 1HD TYR 40 -3.993 -0.273 3.821 326 HD2 TYR 40 2HD TYR 40 -5.248 -3.704 6.001 327 HE1 TYR 40 1HE TYR 40 -3.083 0.713 5.882 328 HE2 TYR 40 2HE TYR 40 -4.342 -2.728 8.069 329 HH TYR 40 HH TYR 40 -3.462 -0.899 9.014 330 H THR 41 H THR 41 -7.606 0.226 3.448 331 HA THR 41 HA THR 41 -6.089 1.526 1.278 332 HB THR 41 HB THR 41 -8.773 2.521 2.187 333 HG1 THR 41 1HG THR 41 -8.685 0.971 -0.118 334 1HG2 THR 41 1HG2 THR 41 -8.833 3.513 -0.027 335 2HG2 THR 41 2HG2 THR 41 -7.322 2.711 -0.456 336 3HG2 THR 41 3HG2 THR 41 -7.334 3.964 0.784 337 H ILE 42 H ILE 42 -4.946 3.295 1.783 338 HA ILE 42 HA ILE 42 -5.080 4.253 4.548 339 HB ILE 42 HB ILE 42 -2.969 4.597 2.420 340 1HG1 ILE 42 2HG1 ILE 42 -2.431 3.402 5.087 341 2HG1 ILE 42 1HG1 ILE 42 -3.393 2.445 3.964 342 1HG2 ILE 42 1HG2 ILE 42 -1.990 5.430 4.926 343 2HG2 ILE 42 2HG2 ILE 42 -3.530 6.255 4.681 344 3HG2 ILE 42 3HG2 ILE 42 -2.247 6.408 3.480 345 1HD1 ILE 42 1HD1 ILE 42 -1.597 1.874 2.806 346 2HD1 ILE 42 2HD1 ILE 42 -0.631 2.603 4.088 347 3HD1 ILE 42 3HD1 ILE 42 -1.070 3.551 2.668 348 H LYS 43 H LYS 43 -5.896 6.180 5.049 349 HA LYS 43 HA LYS 43 -6.196 8.184 2.916 350 1HB LYS 43 2HB LYS 43 -8.261 6.865 4.429 351 2HB LYS 43 1HB LYS 43 -8.280 8.590 4.771 352 1HG LYS 43 2HG LYS 43 -9.533 8.760 2.940 353 2HG LYS 43 1HG LYS 43 -8.026 8.540 2.047 354 1HD LYS 43 2HD LYS 43 -8.475 6.044 2.200 355 2HD LYS 43 1HD LYS 43 -10.098 6.473 2.746 356 1HE LYS 43 2HE LYS 43 -10.020 6.032 0.331 357 2HE LYS 43 1HE LYS 43 -10.499 7.691 0.689 358 1HZ LYS 43 1HZ LYS 43 -8.838 7.427 -1.140 359 2HZ LYS 43 2HZ LYS 43 -7.717 6.918 0.018 360 3HZ LYS 43 3HZ LYS 43 -8.363 8.478 0.099 361 H GLY 44 H GLY 44 -7.292 10.218 4.444 362 1HA GLY 44 2HA GLY 44 -6.852 11.728 6.165 363 2HA GLY 44 1HA GLY 44 -5.629 10.627 6.784 364 H LEU 45 H LEU 45 -5.705 11.651 3.447 365 HA LEU 45 HA LEU 45 -3.098 12.909 3.820 366 1HB LEU 45 2HB LEU 45 -4.400 12.603 1.143 367 2HB LEU 45 1HB LEU 45 -2.698 12.561 1.565 368 HG LEU 45 HG LEU 45 -4.465 10.367 2.551 369 1HD1 LEU 45 1HD1 LEU 45 -3.464 10.672 -0.269 370 2HD1 LEU 45 2HD1 LEU 45 -5.128 10.442 0.269 371 3HD1 LEU 45 3HD1 LEU 45 -3.958 9.132 0.434 372 1HD2 LEU 45 1HD2 LEU 45 -2.492 9.110 2.562 373 2HD2 LEU 45 2HD2 LEU 45 -2.001 10.707 3.129 374 3HD2 LEU 45 3HD2 LEU 45 -1.672 10.223 1.466 375 H LYS 46 H LYS 46 -2.718 14.870 2.316 376 HA LYS 46 HA LYS 46 -4.994 16.693 2.539 377 1HB LYS 46 2HB LYS 46 -3.088 18.458 2.797 378 2HB LYS 46 1HB LYS 46 -3.598 17.506 4.185 379 1HG LYS 46 2HG LYS 46 -1.722 15.946 3.734 380 2HG LYS 46 1HG LYS 46 -1.178 17.044 2.464 381 1HD LYS 46 2HD LYS 46 -0.493 18.646 3.956 382 2HD LYS 46 1HD LYS 46 -1.662 18.152 5.183 383 1HE LYS 46 2HE LYS 46 0.581 16.327 4.415 384 2HE LYS 46 1HE LYS 46 0.866 17.656 5.538 385 1HZ LYS 46 1HZ LYS 46 -0.658 16.769 7.066 386 2HZ LYS 46 2HZ LYS 46 0.260 15.446 6.547 387 3HZ LYS 46 3HZ LYS 46 -1.300 15.680 5.941 388 HA PRO 47 HA PRO 47 -4.510 17.290 -1.828 389 1HB PRO 47 2HB PRO 47 -5.707 19.953 -1.386 390 2HB PRO 47 1HB PRO 47 -6.288 18.610 -2.374 391 1HG PRO 47 2HG PRO 47 -7.491 19.267 -0.075 392 2HG PRO 47 1HG PRO 47 -7.336 17.576 -0.588 393 1HD PRO 47 2HD PRO 47 -5.732 19.098 1.433 394 2HD PRO 47 1HD PRO 47 -6.346 17.433 1.506 395 H GLY 48 H GLY 48 -3.555 18.810 -3.381 396 1HA GLY 48 2HA GLY 48 -2.088 20.509 -4.017 397 2HA GLY 48 1HA GLY 48 -1.898 20.946 -2.326 398 H VAL 49 H VAL 49 -1.225 18.237 -1.486 399 HA VAL 49 HA VAL 49 1.461 18.032 -2.682 400 HB VAL 49 HB VAL 49 1.789 18.867 -0.491 401 1HG1 VAL 49 1HG1 VAL 49 -0.118 16.743 0.477 402 2HG1 VAL 49 2HG1 VAL 49 -0.428 18.478 0.403 403 3HG1 VAL 49 3HG1 VAL 49 0.792 17.846 1.509 404 1HG2 VAL 49 1HG2 VAL 49 2.201 16.097 0.344 405 2HG2 VAL 49 2HG2 VAL 49 3.366 17.403 0.127 406 3HG2 VAL 49 3HG2 VAL 49 2.831 16.457 -1.263 407 H VAL 50 H VAL 50 1.691 16.216 -3.800 408 HA VAL 50 HA VAL 50 -0.084 13.984 -3.454 409 HB VAL 50 HB VAL 50 2.391 14.200 -5.174 410 1HG1 VAL 50 1HG1 VAL 50 0.768 12.427 -6.416 411 2HG1 VAL 50 2HG1 VAL 50 0.408 12.076 -4.726 412 3HG1 VAL 50 3HG1 VAL 50 2.068 11.977 -5.312 413 1HG2 VAL 50 1HG2 VAL 50 -0.318 14.337 -6.352 414 2HG2 VAL 50 2HG2 VAL 50 1.170 15.157 -6.825 415 3HG2 VAL 50 3HG2 VAL 50 0.231 15.755 -5.458 416 H TYR 51 H TYR 51 0.390 11.940 -2.691 417 HA TYR 51 HA TYR 51 2.767 11.770 -0.992 418 1HB TYR 51 2HB TYR 51 0.003 10.758 -0.840 419 2HB TYR 51 1HB TYR 51 1.237 9.627 -0.316 420 HD1 TYR 51 1HD TYR 51 2.857 10.379 1.506 421 HD2 TYR 51 2HD TYR 51 -0.698 12.509 0.549 422 HE1 TYR 51 1HE TYR 51 2.957 11.513 3.686 423 HE2 TYR 51 2HE TYR 51 -0.611 13.650 2.724 424 HH TYR 51 HH TYR 51 1.670 12.721 5.195 425 H GLU 52 H GLU 52 4.380 10.446 -1.524 426 HA GLU 52 HA GLU 52 3.960 8.541 -3.717 427 1HB GLU 52 2HB GLU 52 5.720 9.767 -4.480 428 2HB GLU 52 1HB GLU 52 6.223 10.247 -2.866 429 1HG GLU 52 2HG GLU 52 7.690 8.566 -2.682 430 2HG GLU 52 1HG GLU 52 6.625 7.409 -3.479 431 H GLY 53 H GLY 53 4.136 6.409 -3.386 432 1HA GLY 53 2HA GLY 53 5.659 5.390 -1.132 433 2HA GLY 53 1HA GLY 53 3.926 5.121 -1.050 434 H GLN 54 H GLN 54 5.883 3.098 -1.108 435 HA GLN 54 HA GLN 54 5.131 1.753 -3.605 436 1HB GLN 54 2HB GLN 54 7.653 0.748 -2.702 437 2HB GLN 54 1HB GLN 54 7.254 1.493 -4.243 438 1HG GLN 54 2HG GLN 54 7.615 3.714 -3.194 439 2HG GLN 54 1HG GLN 54 8.163 2.885 -1.736 440 1HE2 GLN 54 1HE2 GLN 54 8.730 2.561 -5.226 441 2HE2 GLN 54 2HE2 GLN 54 10.455 2.525 -5.117 442 H LEU 55 H LEU 55 4.708 -0.455 -3.424 443 HA LEU 55 HA LEU 55 4.359 -1.375 -0.664 444 1HB LEU 55 2HB LEU 55 2.492 -1.318 -2.498 445 2HB LEU 55 1HB LEU 55 3.244 -2.803 -3.044 446 HG LEU 55 HG LEU 55 2.120 -3.977 -1.520 447 1HD1 LEU 55 1HD1 LEU 55 2.427 -3.751 0.827 448 2HD1 LEU 55 2HD1 LEU 55 2.936 -2.071 0.662 449 3HD1 LEU 55 3HD1 LEU 55 3.968 -3.368 0.059 450 1HD2 LEU 55 1HD2 LEU 55 0.985 -1.327 -0.661 451 2HD2 LEU 55 2HD2 LEU 55 0.319 -2.910 -0.258 452 3HD2 LEU 55 3HD2 LEU 55 0.356 -2.371 -1.938 453 H ILE 56 H ILE 56 6.074 -2.454 0.049 454 HA ILE 56 HA ILE 56 7.440 -4.327 -1.756 455 HB ILE 56 HB ILE 56 8.386 -3.116 0.844 456 1HG1 ILE 56 2HG1 ILE 56 10.166 -2.234 -0.911 457 2HG1 ILE 56 1HG1 ILE 56 8.838 -2.471 -2.042 458 1HG2 ILE 56 1HG2 ILE 56 9.192 -5.498 -0.413 459 2HG2 ILE 56 2HG2 ILE 56 9.972 -4.667 0.934 460 3HG2 ILE 56 3HG2 ILE 56 10.462 -4.314 -0.723 461 1HD1 ILE 56 1HD1 ILE 56 7.737 -1.104 0.129 462 2HD1 ILE 56 2HD1 ILE 56 8.101 -0.467 -1.475 463 3HD1 ILE 56 3HD1 ILE 56 9.296 -0.339 -0.185 464 H SER 57 H SER 57 6.819 -6.377 -1.535 465 HA SER 57 HA SER 57 5.618 -7.281 0.949 466 1HB SER 57 2HB SER 57 5.087 -7.864 -1.669 467 2HB SER 57 1HB SER 57 6.028 -9.270 -1.173 468 HG SER 57 HG SER 57 4.527 -9.266 0.714 469 H ILE 58 H ILE 58 6.653 -8.332 2.470 470 HA ILE 58 HA ILE 58 9.345 -9.355 1.919 471 HB ILE 58 HB ILE 58 8.005 -8.544 4.495 472 1HG1 ILE 58 2HG1 ILE 58 10.641 -7.569 3.434 473 2HG1 ILE 58 1HG1 ILE 58 9.134 -6.896 2.820 474 1HG2 ILE 58 1HG2 ILE 58 10.364 -10.278 4.039 475 2HG2 ILE 58 2HG2 ILE 58 9.196 -10.274 5.360 476 3HG2 ILE 58 3HG2 ILE 58 10.481 -9.068 5.317 477 1HD1 ILE 58 1HD1 ILE 58 10.128 -5.552 4.616 478 2HD1 ILE 58 2HD1 ILE 58 9.956 -6.922 5.713 479 3HD1 ILE 58 3HD1 ILE 58 8.523 -6.155 5.029 480 H GLN 59 H GLN 59 9.664 -11.449 1.777 481 HA GLN 59 HA GLN 59 7.581 -13.289 2.698 482 1HB GLN 59 2HB GLN 59 9.101 -13.162 0.341 483 2HB GLN 59 1HB GLN 59 9.699 -14.564 1.217 484 1HG GLN 59 2HG GLN 59 7.026 -14.897 1.479 485 2HG GLN 59 1HG GLN 59 7.118 -14.115 -0.096 486 1HE2 GLN 59 1HE2 GLN 59 8.491 -16.769 1.795 487 2HE2 GLN 59 2HE2 GLN 59 8.726 -17.836 0.454 488 H GLN 60 H GLN 60 8.808 -15.605 3.071 489 HA GLN 60 HA GLN 60 9.908 -15.416 5.635 490 1HB GLN 60 2HB GLN 60 9.144 -17.481 3.828 491 2HB GLN 60 1HB GLN 60 10.754 -17.856 4.426 492 1HG GLN 60 2HG GLN 60 9.926 -18.542 6.353 493 2HG GLN 60 1HG GLN 60 9.114 -16.997 6.591 494 1HE2 GLN 60 1HE2 GLN 60 8.802 -20.244 5.393 495 2HE2 GLN 60 2HE2 GLN 60 7.077 -20.257 5.294 496 H TYR 61 H TYR 61 11.408 -15.347 2.497 497 HA TYR 61 HA TYR 61 14.066 -15.541 3.722 498 1HB TYR 61 2HB TYR 61 13.935 -15.334 0.796 499 2HB TYR 61 1HB TYR 61 14.819 -16.470 1.808 500 HD1 TYR 61 1HD TYR 61 12.484 -16.334 -0.673 501 HD2 TYR 61 2HD TYR 61 13.010 -18.091 3.169 502 HE1 TYR 61 1HE TYR 61 10.869 -18.090 -1.261 503 HE2 TYR 61 2HE TYR 61 11.398 -19.855 2.588 504 HH TYR 61 HH TYR 61 10.585 -20.911 0.256 505 H GLY 62 H GLY 62 11.957 -13.193 3.251 506 1HA GLY 62 2HA GLY 62 12.788 -10.924 3.683 507 2HA GLY 62 1HA GLY 62 14.045 -11.241 2.496 508 H HIS 63 H HIS 63 12.766 -8.996 2.073 509 HA HIS 63 HA HIS 63 10.334 -9.015 0.723 510 1HB HIS 63 2HB HIS 63 11.352 -6.928 -0.458 511 2HB HIS 63 1HB HIS 63 11.081 -6.886 1.281 512 HD2 HIS 63 2HD HIS 63 13.173 -5.876 2.570 513 HE1 HIS 63 1HE HIS 63 16.169 -7.074 -0.169 514 HE2 HIS 63 2HE HIS 63 15.719 -6.018 2.091 515 H GLN 64 H GLN 64 9.882 -8.778 -1.569 516 HA GLN 64 HA GLN 64 11.858 -9.579 -3.491 517 1HB GLN 64 2HB GLN 64 10.364 -11.587 -4.196 518 2HB GLN 64 1HB GLN 64 11.500 -11.785 -2.869 519 1HG GLN 64 2HG GLN 64 9.871 -12.290 -1.456 520 2HG GLN 64 1HG GLN 64 8.966 -10.842 -1.892 521 1HE2 GLN 64 1HE2 GLN 64 7.555 -13.012 -1.265 522 2HE2 GLN 64 2HE2 GLN 64 6.847 -13.730 -2.668 523 H GLU 65 H GLU 65 8.776 -8.416 -2.606 524 HA GLU 65 HA GLU 65 8.090 -7.941 -5.433 525 1HB GLU 65 2HB GLU 65 6.556 -9.162 -3.506 526 2HB GLU 65 1HB GLU 65 5.962 -7.508 -3.462 527 1HG GLU 65 2HG GLU 65 4.988 -7.660 -5.483 528 2HG GLU 65 1HG GLU 65 6.275 -8.667 -6.147 529 H VAL 66 H VAL 66 8.081 -5.899 -6.144 530 HA VAL 66 HA VAL 66 7.790 -3.727 -4.185 531 HB VAL 66 HB VAL 66 9.801 -3.633 -6.432 532 1HG1 VAL 66 1HG1 VAL 66 8.801 -1.733 -4.420 533 2HG1 VAL 66 2HG1 VAL 66 9.518 -1.439 -6.004 534 3HG1 VAL 66 3HG1 VAL 66 10.553 -1.774 -4.615 535 1HG2 VAL 66 1HG2 VAL 66 10.402 -3.986 -3.502 536 2HG2 VAL 66 2HG2 VAL 66 11.536 -4.029 -4.853 537 3HG2 VAL 66 3HG2 VAL 66 10.353 -5.323 -4.652 538 H THR 67 H THR 67 6.408 -2.182 -4.775 539 HA THR 67 HA THR 67 5.769 -1.830 -7.619 540 HB THR 67 HB THR 67 3.389 -1.448 -6.045 541 HG1 THR 67 1HG THR 67 3.471 -3.144 -4.795 542 1HG2 THR 67 1HG2 THR 67 3.748 -1.907 -8.556 543 2HG2 THR 67 2HG2 THR 67 2.373 -2.672 -7.759 544 3HG2 THR 67 3HG2 THR 67 3.833 -3.604 -8.086 545 H ARG 68 H ARG 68 5.997 0.246 -8.143 546 HA ARG 68 HA ARG 68 5.930 2.263 -6.022 547 1HB ARG 68 2HB ARG 68 6.781 2.667 -8.886 548 2HB ARG 68 1HB ARG 68 7.149 3.683 -7.499 549 1HG ARG 68 2HG ARG 68 8.653 2.095 -6.611 550 2HG ARG 68 1HG ARG 68 8.098 0.843 -7.722 551 1HD ARG 68 2HD ARG 68 9.546 1.489 -9.283 552 2HD ARG 68 1HD ARG 68 9.017 3.167 -9.161 553 HE ARG 68 HE ARG 68 10.600 2.796 -6.970 554 1HH1 ARG 68 1HH1 ARG 68 11.025 2.376 -10.404 555 2HH1 ARG 68 2HH1 ARG 68 12.724 2.710 -10.365 556 1HH2 ARG 68 1HH2 ARG 68 12.839 3.233 -6.910 557 2HH2 ARG 68 2HH2 ARG 68 13.754 3.196 -8.380 558 H PHE 69 H PHE 69 4.385 3.788 -5.869 559 HA PHE 69 HA PHE 69 2.706 4.450 -8.127 560 1HB PHE 69 2HB PHE 69 0.620 3.957 -6.666 561 2HB PHE 69 1HB PHE 69 1.391 2.630 -7.529 562 HD1 PHE 69 1HD PHE 69 2.197 0.762 -6.381 563 HD2 PHE 69 2HD PHE 69 1.173 4.280 -4.216 564 HE1 PHE 69 1HE PHE 69 2.447 -0.470 -4.266 565 HE2 PHE 69 2HE PHE 69 1.421 3.054 -2.097 566 HZ PHE 69 HZ PHE 69 2.060 0.675 -2.121 567 H ASP 70 H ASP 70 1.290 6.221 -7.751 568 HA ASP 70 HA ASP 70 2.085 7.897 -5.462 569 1HB ASP 70 2HB ASP 70 1.256 8.674 -8.270 570 2HB ASP 70 1HB ASP 70 1.419 9.828 -6.950 571 H PHE 71 H PHE 71 0.445 8.749 -4.199 572 HA PHE 71 HA PHE 71 -2.294 8.499 -5.141 573 1HB PHE 71 2HB PHE 71 -3.022 6.966 -3.568 574 2HB PHE 71 1HB PHE 71 -1.428 6.339 -3.977 575 HD1 PHE 71 1HD PHE 71 -3.578 7.328 -1.356 576 HD2 PHE 71 2HD PHE 71 0.534 7.106 -2.444 577 HE1 PHE 71 1HE PHE 71 -2.949 7.403 1.020 578 HE2 PHE 71 2HE PHE 71 1.166 7.179 -0.069 579 HZ PHE 71 HZ PHE 71 -0.574 7.328 1.665 580 H THR 72 H THR 72 -3.721 9.867 -4.216 581 HA THR 72 HA THR 72 -3.044 11.322 -1.808 582 HB THR 72 HB THR 72 -3.970 13.273 -3.705 583 HG1 THR 72 1HG THR 72 -2.674 11.682 -5.063 584 1HG2 THR 72 1HG2 THR 72 -2.834 13.738 -1.573 585 2HG2 THR 72 2HG2 THR 72 -2.010 14.497 -2.935 586 3HG2 THR 72 3HG2 THR 72 -1.355 13.024 -2.217 587 H THR 73 H THR 73 -4.906 12.796 -1.177 588 HA THR 73 HA THR 73 -7.392 11.355 -1.677 589 HB THR 73 HB THR 73 -6.941 11.770 0.644 590 HG1 THR 73 1HG THR 73 -9.103 11.981 0.284 591 1HG2 THR 73 1HG2 THR 73 -5.433 13.716 0.295 592 2HG2 THR 73 2HG2 THR 73 -6.619 13.970 1.577 593 3HG2 THR 73 3HG2 THR 73 -6.855 14.717 -0.004 594 H THR 74 H THR 74 -8.956 12.077 -2.948 595 HA THR 74 HA THR 74 -9.976 13.304 -4.569 596 HB THR 74 HB THR 74 -10.810 14.286 -2.367 597 HG1 THR 74 1HG THR 74 -12.152 14.993 -3.836 598 1HG2 THR 74 1HG2 THR 74 -8.513 15.956 -2.759 599 2HG2 THR 74 2HG2 THR 74 -9.637 15.914 -1.401 600 3HG2 THR 74 3HG2 THR 74 -9.972 16.945 -2.792 601 H SER 75 H SER 75 -6.994 13.333 -4.609 602 HA SER 75 HA SER 75 -6.713 15.662 -6.374 603 1HB SER 75 2HB SER 75 -5.449 16.525 -4.664 604 2HB SER 75 1HB SER 75 -5.035 14.935 -4.025 605 HG SER 75 HG SER 75 -3.268 16.073 -5.045 606 H THR 76 H THR 76 -4.658 12.957 -5.301 607 HA THR 76 HA THR 76 -3.511 11.360 -6.439 608 HB THR 76 HB THR 76 -5.197 11.501 -8.868 609 HG1 THR 76 1HG THR 76 -7.045 10.908 -7.854 610 1HG2 THR 76 1HG2 THR 76 -3.720 9.554 -7.310 611 2HG2 THR 76 2HG2 THR 76 -4.259 9.478 -8.987 612 3HG2 THR 76 3HG2 THR 76 -5.347 8.989 -7.688 613 H SER 77 H SER 77 -2.546 10.881 -8.775 614 HA SER 77 HA SER 77 -1.892 13.291 -10.244 615 1HB SER 77 2HB SER 77 -0.280 12.803 -8.142 616 2HB SER 77 1HB SER 77 0.518 11.803 -9.356 617 HG SER 77 HG SER 77 -0.215 14.407 -10.058 618 H THR 78 H THR 78 -1.741 12.823 -12.329 619 HA THR 78 HA THR 78 -1.780 11.616 -14.260 620 HB THR 78 HB THR 78 0.141 10.141 -14.647 621 HG1 THR 78 1HG THR 78 1.649 10.045 -12.736 622 1HG2 THR 78 1HG2 THR 78 1.934 11.840 -13.751 623 2HG2 THR 78 2HG2 THR 78 0.511 12.796 -13.336 624 3HG2 THR 78 3HG2 THR 78 0.794 12.318 -15.010 625 HA PRO 79 HA PRO 79 -4.308 8.146 -12.600 626 1HB PRO 79 2HB PRO 79 -6.233 8.340 -14.510 627 2HB PRO 79 1HB PRO 79 -6.227 9.330 -13.046 628 1HG PRO 79 2HG PRO 79 -5.287 10.026 -15.805 629 2HG PRO 79 1HG PRO 79 -6.260 10.992 -14.679 630 1HD PRO 79 2HD PRO 79 -3.615 11.401 -14.996 631 2HD PRO 79 1HD PRO 79 -4.417 11.616 -13.426 632 H GLY 80 H GLY 80 -2.476 6.821 -13.313 633 1HA GLY 80 2HA GLY 80 -2.717 5.815 -16.068 634 2HA GLY 80 1HA GLY 80 -1.311 5.624 -15.031 635 H SER 81 H SER 81 -3.629 5.022 -12.936 636 HA SER 81 HA SER 81 -4.447 3.148 -11.945 637 1HB SER 81 2HB SER 81 -5.928 3.185 -13.933 638 2HB SER 81 1HB SER 81 -4.772 2.168 -14.792 639 HG SER 81 HG SER 81 -5.110 0.751 -12.798 640 H ARG 82 H ARG 82 -1.885 3.117 -11.627 641 HA ARG 82 HA ARG 82 -0.014 1.865 -11.299 642 1HB ARG 82 2HB ARG 82 -1.798 -0.541 -11.656 643 2HB ARG 82 1HB ARG 82 -0.331 -0.417 -10.693 644 1HG ARG 82 2HG ARG 82 -1.905 1.515 -9.578 645 2HG ARG 82 1HG ARG 82 -3.084 0.279 -10.021 646 1HD ARG 82 2HD ARG 82 -0.565 -0.268 -8.459 647 2HD ARG 82 1HD ARG 82 -2.138 0.035 -7.720 648 HE ARG 82 HE ARG 82 -1.993 -2.131 -9.659 649 1HH1 ARG 82 1HH1 ARG 82 -2.034 -1.156 -6.313 650 2HH1 ARG 82 2HH1 ARG 82 -2.478 -2.726 -5.729 651 1HH2 ARG 82 1HH2 ARG 82 -2.581 -4.198 -8.897 652 2HH2 ARG 82 2HH2 ARG 82 -2.788 -4.453 -7.195 653 H SER 83 H SER 83 0.977 2.495 -13.253 654 HA SER 83 HA SER 83 1.316 0.283 -15.128 655 1HB SER 83 2HB SER 83 -0.340 1.559 -16.279 656 2HB SER 83 1HB SER 83 0.474 3.078 -15.906 657 HG SER 83 HG SER 83 1.361 2.792 -17.789 658 H HIS 84 H HIS 84 3.346 0.119 -15.966 659 HA HIS 84 HA HIS 84 5.283 2.171 -15.115 660 1HB HIS 84 2HB HIS 84 5.824 -0.774 -15.541 661 2HB HIS 84 1HB HIS 84 6.949 0.423 -14.910 662 HD2 HIS 84 2HD HIS 84 4.426 -2.097 -13.673 663 HE1 HIS 84 1HE HIS 84 5.199 0.553 -10.464 664 HE2 HIS 84 2HE HIS 84 4.286 -1.722 -11.109 665 H HIS 85 H HIS 85 4.088 0.205 -17.709 666 HA HIS 85 HA HIS 85 6.244 0.996 -19.501 667 1HB HIS 85 2HB HIS 85 3.795 -0.714 -19.993 668 2HB HIS 85 1HB HIS 85 5.093 -0.440 -21.152 669 HD2 HIS 85 2HD HIS 85 4.364 -3.437 -19.920 670 HE1 HIS 85 1HE HIS 85 8.121 -2.946 -18.033 671 HE2 HIS 85 2HE HIS 85 6.418 -4.627 -18.871 672 H HIS 86 H HIS 86 5.301 3.282 -18.878 673 HA HIS 86 HA HIS 86 3.204 4.020 -20.799 674 1HB HIS 86 2HB HIS 86 2.839 4.639 -18.417 675 2HB HIS 86 1HB HIS 86 4.295 5.626 -18.478 676 HD2 HIS 86 2HD HIS 86 0.576 5.763 -19.465 677 HE1 HIS 86 1HE HIS 86 2.414 9.378 -20.674 678 HE2 HIS 86 2HE HIS 86 0.206 8.211 -20.237 679 H HIS 87 H HIS 87 4.429 4.149 -22.675 680 HA HIS 87 HA HIS 87 6.784 5.855 -22.715 681 1HB HIS 87 2HB HIS 87 7.107 5.088 -24.975 682 2HB HIS 87 1HB HIS 87 6.714 3.695 -23.973 683 HD2 HIS 87 2HD HIS 87 5.510 5.478 -27.114 684 HE1 HIS 87 1HE HIS 87 2.581 2.607 -26.073 685 HE2 HIS 87 2HE HIS 87 3.270 4.352 -27.777 686 H HIS 88 H HIS 88 6.909 7.310 -24.784 687 HA HIS 88 HA HIS 88 4.463 8.949 -24.815 688 1HB HIS 88 2HB HIS 88 6.984 9.713 -24.062 689 2HB HIS 88 1HB HIS 88 6.945 10.217 -25.749 690 HD2 HIS 88 2HD HIS 88 6.594 12.878 -25.451 691 HE1 HIS 88 1HE HIS 88 3.163 12.652 -22.983 692 HE2 HIS 88 2HE HIS 88 4.796 14.211 -24.140 693 H HIS 89 H HIS 89 4.077 10.179 -26.828 694 HA HIS 89 HA HIS 89 4.778 8.541 -29.171 695 1HB HIS 89 2HB HIS 89 2.313 9.988 -28.352 696 2HB HIS 89 1HB HIS 89 2.693 9.963 -30.071 697 HD2 HIS 89 2HD HIS 89 0.281 8.201 -28.317 698 HE1 HIS 89 1HE HIS 89 2.399 5.023 -30.140 699 HE2 HIS 89 2HE HIS 89 0.318 5.661 -28.840 Start of MODEL 25 1 1H MET 1 1HT MET 1 -1.672 0.040 -13.768 2 2H MET 1 2HT MET 1 -1.619 1.302 -14.892 3 3H MET 1 3HT MET 1 -0.291 0.271 -14.717 4 HA MET 1 HA MET 1 -1.912 -0.052 -16.689 5 1HB MET 1 2HB MET 1 0.048 -1.480 -15.794 6 2HB MET 1 1HB MET 1 -1.199 -2.487 -15.068 7 1HG MET 1 2HG MET 1 -0.996 -3.604 -17.009 8 2HG MET 1 1HG MET 1 -2.144 -2.385 -17.559 9 1HE MET 1 1HE MET 1 -0.628 -3.227 -20.381 10 2HE MET 1 2HE MET 1 -0.730 -1.485 -20.637 11 3HE MET 1 3HE MET 1 -1.970 -2.312 -19.695 12 H ARG 2 H ARG 2 -3.573 -1.767 -17.226 13 HA ARG 2 HA ARG 2 -5.912 -1.299 -15.658 14 1HB ARG 2 2HB ARG 2 -5.413 -3.117 -18.021 15 2HB ARG 2 1HB ARG 2 -6.995 -2.846 -17.302 16 1HG ARG 2 2HG ARG 2 -6.463 -0.337 -17.748 17 2HG ARG 2 1HG ARG 2 -5.303 -0.991 -18.906 18 1HD ARG 2 2HD ARG 2 -7.495 -0.480 -19.923 19 2HD ARG 2 1HD ARG 2 -7.056 -2.184 -20.054 20 HE ARG 2 HE ARG 2 -8.615 -2.615 -18.222 21 1HH1 ARG 2 1HH1 ARG 2 -8.881 0.431 -19.895 22 2HH1 ARG 2 2HH1 ARG 2 -10.536 0.680 -19.448 23 1HH2 ARG 2 1HH2 ARG 2 -10.793 -2.296 -17.629 24 2HH2 ARG 2 2HH2 ARG 2 -11.622 -0.870 -18.159 25 H GLY 3 H GLY 3 -7.150 -3.894 -16.007 26 1HA GLY 3 2HA GLY 3 -7.186 -6.037 -15.082 27 2HA GLY 3 1HA GLY 3 -5.586 -5.749 -14.414 28 H SER 4 H SER 4 -8.861 -6.000 -13.725 29 HA SER 4 HA SER 4 -8.596 -4.532 -11.195 30 1HB SER 4 2HB SER 4 -11.005 -4.532 -11.077 31 2HB SER 4 1HB SER 4 -10.540 -4.008 -12.695 32 HG SER 4 HG SER 4 -11.288 -5.836 -13.525 33 H ASN 5 H ASN 5 -8.403 -7.635 -12.442 34 HA ASN 5 HA ASN 5 -9.402 -8.937 -10.030 35 1HB ASN 5 2HB ASN 5 -9.857 -9.812 -12.380 36 2HB ASN 5 1HB ASN 5 -8.162 -10.288 -12.425 37 1HD2 ASN 5 1HD2 ASN 5 -10.936 -10.522 -10.220 38 2HD2 ASN 5 2HD2 ASN 5 -10.674 -12.175 -9.794 39 H ALA 6 H ALA 6 -8.150 -9.908 -8.524 40 HA ALA 6 HA ALA 6 -5.244 -9.984 -8.965 41 1HB ALA 6 1HB ALA 6 -5.402 -8.043 -7.691 42 2HB ALA 6 2HB ALA 6 -5.067 -9.290 -6.489 43 3HB ALA 6 3HB ALA 6 -6.711 -8.684 -6.697 44 HA PRO 7 HA PRO 7 -6.700 -14.106 -7.488 45 1HB PRO 7 2HB PRO 7 -4.632 -15.456 -8.670 46 2HB PRO 7 1HB PRO 7 -6.151 -15.072 -9.487 47 1HG PRO 7 2HG PRO 7 -3.520 -13.651 -9.615 48 2HG PRO 7 1HG PRO 7 -4.648 -14.039 -10.929 49 1HD PRO 7 2HD PRO 7 -4.523 -11.578 -9.855 50 2HD PRO 7 1HD PRO 7 -6.059 -12.279 -10.406 51 H GLN 8 H GLN 8 -3.295 -13.060 -7.670 52 HA GLN 8 HA GLN 8 -1.565 -13.208 -6.200 53 1HB GLN 8 2HB GLN 8 -3.903 -13.010 -4.313 54 2HB GLN 8 1HB GLN 8 -2.247 -13.099 -3.729 55 1HG GLN 8 2HG GLN 8 -1.696 -11.025 -4.578 56 2HG GLN 8 1HG GLN 8 -3.005 -11.046 -5.758 57 1HE2 GLN 8 1HE2 GLN 8 -2.112 -9.221 -3.464 58 2HE2 GLN 8 2HE2 GLN 8 -3.581 -8.902 -2.613 59 HA PRO 9 HA PRO 9 -1.929 -17.817 -6.005 60 1HB PRO 9 2HB PRO 9 0.979 -17.488 -6.491 61 2HB PRO 9 1HB PRO 9 -0.186 -18.542 -7.300 62 1HG PRO 9 2HG PRO 9 0.761 -16.362 -8.511 63 2HG PRO 9 1HG PRO 9 -0.930 -16.859 -8.708 64 1HD PRO 9 2HD PRO 9 0.223 -14.684 -7.007 65 2HD PRO 9 1HD PRO 9 -1.275 -14.695 -7.964 66 H SER 10 H SER 10 -2.267 -18.054 -3.830 67 HA SER 10 HA SER 10 -1.785 -18.551 -1.670 68 1HB SER 10 2HB SER 10 0.091 -19.770 -1.305 69 2HB SER 10 1HB SER 10 0.296 -19.627 -3.050 70 HG SER 10 HG SER 10 1.449 -17.964 -1.059 71 H HIS 11 H HIS 11 -1.700 -17.318 0.104 72 HA HIS 11 HA HIS 11 -1.109 -14.567 -0.104 73 1HB HIS 11 2HB HIS 11 -1.611 -14.455 2.275 74 2HB HIS 11 1HB HIS 11 -2.784 -15.485 1.458 75 HD2 HIS 11 2HD HIS 11 -1.545 -15.593 4.713 76 HE1 HIS 11 1HE HIS 11 -0.751 -19.540 3.408 77 HE2 HIS 11 2HE HIS 11 -0.821 -17.986 5.409 78 H ILE 12 H ILE 12 0.468 -13.327 0.984 79 HA ILE 12 HA ILE 12 3.046 -14.699 1.211 80 HB ILE 12 HB ILE 12 3.039 -12.804 -0.283 81 1HG1 ILE 12 2HG1 ILE 12 4.382 -11.627 2.117 82 2HG1 ILE 12 1HG1 ILE 12 4.925 -13.202 1.541 83 1HG2 ILE 12 1HG2 ILE 12 2.641 -10.492 0.788 84 2HG2 ILE 12 2HG2 ILE 12 1.773 -11.392 2.032 85 3HG2 ILE 12 3HG2 ILE 12 1.245 -11.478 0.351 86 1HD1 ILE 12 1HD1 ILE 12 5.141 -10.534 0.268 87 2HD1 ILE 12 2HD1 ILE 12 5.002 -11.952 -0.770 88 3HD1 ILE 12 3HD1 ILE 12 6.329 -11.833 0.386 89 H SER 13 H SER 13 4.502 -14.149 2.962 90 HA SER 13 HA SER 13 3.494 -14.491 5.493 91 1HB SER 13 2HB SER 13 5.980 -14.421 4.506 92 2HB SER 13 1HB SER 13 5.951 -12.826 5.257 93 HG SER 13 HG SER 13 5.020 -14.185 7.123 94 H LYS 14 H LYS 14 4.497 -11.386 4.025 95 HA LYS 14 HA LYS 14 2.370 -9.985 5.306 96 1HB LYS 14 2HB LYS 14 4.012 -8.442 6.575 97 2HB LYS 14 1HB LYS 14 3.566 -9.982 7.299 98 1HG LYS 14 2HG LYS 14 5.728 -10.408 7.515 99 2HG LYS 14 1HG LYS 14 5.814 -10.542 5.757 100 1HD LYS 14 2HD LYS 14 6.698 -8.445 5.504 101 2HD LYS 14 1HD LYS 14 5.927 -7.827 6.966 102 1HE LYS 14 2HE LYS 14 8.376 -9.563 6.749 103 2HE LYS 14 1HE LYS 14 8.254 -7.935 7.414 104 1HZ LYS 14 1HZ LYS 14 7.278 -10.469 8.582 105 2HZ LYS 14 2HZ LYS 14 6.699 -8.971 9.111 106 3HZ LYS 14 3HZ LYS 14 8.343 -9.341 9.256 107 H TYR 15 H TYR 15 2.051 -7.955 4.503 108 HA TYR 15 HA TYR 15 3.724 -7.185 2.215 109 1HB TYR 15 2HB TYR 15 0.848 -6.894 2.914 110 2HB TYR 15 1HB TYR 15 1.575 -5.569 2.017 111 HD1 TYR 15 1HD TYR 15 -0.313 -8.388 1.630 112 HD2 TYR 15 2HD TYR 15 3.165 -6.569 -0.009 113 HE1 TYR 15 1HE TYR 15 -0.660 -9.626 -0.465 114 HE2 TYR 15 2HE TYR 15 2.828 -7.803 -2.107 115 HH TYR 15 HH TYR 15 0.386 -8.931 -3.207 116 H ILE 16 H ILE 16 4.772 -5.216 2.185 117 HA ILE 16 HA ILE 16 4.433 -3.533 4.570 118 HB ILE 16 HB ILE 16 6.811 -4.574 3.252 119 1HG1 ILE 16 2HG1 ILE 16 6.061 -4.710 5.693 120 2HG1 ILE 16 1HG1 ILE 16 7.754 -4.346 5.391 121 1HG2 ILE 16 1HG2 ILE 16 8.191 -2.550 3.513 122 2HG2 ILE 16 2HG2 ILE 16 6.728 -1.615 3.826 123 3HG2 ILE 16 3HG2 ILE 16 6.967 -2.377 2.254 124 1HD1 ILE 16 1HD1 ILE 16 5.589 -2.444 6.247 125 2HD1 ILE 16 2HD1 ILE 16 7.187 -1.921 5.714 126 3HD1 ILE 16 3HD1 ILE 16 7.023 -2.934 7.149 127 H LEU 17 H LEU 17 3.821 -1.493 4.300 128 HA LEU 17 HA LEU 17 3.874 -0.373 1.574 129 1HB LEU 17 2HB LEU 17 1.643 -0.885 3.093 130 2HB LEU 17 1HB LEU 17 1.954 0.802 3.454 131 HG LEU 17 HG LEU 17 2.089 0.233 0.599 132 1HD1 LEU 17 1HD1 LEU 17 0.366 -1.431 1.405 133 2HD1 LEU 17 2HD1 LEU 17 -0.179 -0.270 0.194 134 3HD1 LEU 17 3HD1 LEU 17 -0.611 -0.044 1.888 135 1HD2 LEU 17 1HD2 LEU 17 0.837 2.233 0.441 136 2HD2 LEU 17 2HD2 LEU 17 1.972 2.466 1.771 137 3HD2 LEU 17 3HD2 LEU 17 0.280 2.101 2.110 138 H ARG 18 H ARG 18 5.346 1.175 1.422 139 HA ARG 18 HA ARG 18 5.727 2.956 3.733 140 1HB ARG 18 2HB ARG 18 8.058 2.933 2.074 141 2HB ARG 18 1HB ARG 18 7.909 2.503 3.773 142 1HG ARG 18 2HG ARG 18 6.898 0.289 2.568 143 2HG ARG 18 1HG ARG 18 8.128 0.795 1.408 144 1HD ARG 18 2HD ARG 18 8.701 0.578 4.346 145 2HD ARG 18 1HD ARG 18 8.832 -0.812 3.267 146 HE ARG 18 HE ARG 18 10.647 0.242 2.182 147 1HH1 ARG 18 1HH1 ARG 18 9.421 2.076 4.879 148 2HH1 ARG 18 2HH1 ARG 18 10.840 3.061 5.020 149 1HH2 ARG 18 1HH2 ARG 18 12.520 1.535 2.360 150 2HH2 ARG 18 2HH2 ARG 18 12.600 2.754 3.588 151 H TRP 19 H TRP 19 5.462 5.053 3.363 152 HA TRP 19 HA TRP 19 5.891 6.137 0.710 153 1HB TRP 19 2HB TRP 19 3.717 6.956 0.349 154 2HB TRP 19 1HB TRP 19 3.471 5.303 0.901 155 HD1 TRP 19 HD TRP 19 2.741 8.894 1.811 156 HE1 TRP 19 1HE TRP 19 1.221 8.954 3.888 157 HE3 TRP 19 3HE TRP 19 2.972 3.960 3.127 158 HZ2 TRP 19 2HZ TRP 19 0.249 7.147 5.828 159 HZ3 TRP 19 3HZ TRP 19 1.718 3.208 5.106 160 HH2 TRP 19 HH TRP 19 0.386 4.770 6.428 161 H ARG 20 H ARG 20 5.737 8.501 0.677 162 HA ARG 20 HA ARG 20 5.740 9.922 3.180 163 1HB ARG 20 2HB ARG 20 8.058 10.804 2.867 164 2HB ARG 20 1HB ARG 20 8.002 9.093 3.270 165 1HG ARG 20 2HG ARG 20 8.952 8.487 1.342 166 2HG ARG 20 1HG ARG 20 7.993 9.630 0.399 167 1HD ARG 20 2HD ARG 20 9.471 11.437 1.008 168 2HD ARG 20 1HD ARG 20 10.377 10.377 2.088 169 HE ARG 20 HE ARG 20 10.333 9.398 -0.590 170 1HH1 ARG 20 1HH1 ARG 20 11.882 11.688 1.530 171 2HH1 ARG 20 2HH1 ARG 20 13.351 11.738 0.614 172 1HH2 ARG 20 1HH2 ARG 20 12.265 9.457 -1.803 173 2HH2 ARG 20 2HH2 ARG 20 13.568 10.471 -1.280 174 HA PRO 21 HA PRO 21 4.355 13.205 0.592 175 1HB PRO 21 2HB PRO 21 5.676 15.364 1.719 176 2HB PRO 21 1HB PRO 21 4.163 14.680 2.321 177 1HG PRO 21 2HG PRO 21 6.959 14.236 3.274 178 2HG PRO 21 1HG PRO 21 5.464 14.397 4.213 179 1HD PRO 21 2HD PRO 21 6.601 12.005 3.773 180 2HD PRO 21 1HD PRO 21 4.836 12.201 3.826 181 H LYS 22 H LYS 22 5.144 13.064 -1.419 182 HA LYS 22 HA LYS 22 7.813 13.010 -2.190 183 1HB LYS 22 2HB LYS 22 5.809 12.334 -3.551 184 2HB LYS 22 1HB LYS 22 5.513 14.040 -3.849 185 1HG LYS 22 2HG LYS 22 7.055 14.130 -5.451 186 2HG LYS 22 1HG LYS 22 8.242 13.265 -4.471 187 1HD LYS 22 2HD LYS 22 7.936 11.469 -5.743 188 2HD LYS 22 1HD LYS 22 6.260 11.394 -5.194 189 1HE LYS 22 2HE LYS 22 6.145 11.468 -7.543 190 2HE LYS 22 1HE LYS 22 5.744 13.098 -7.001 191 1HZ LYS 22 1HZ LYS 22 7.240 13.458 -8.705 192 2HZ LYS 22 2HZ LYS 22 8.210 12.135 -8.296 193 3HZ LYS 22 3HZ LYS 22 8.241 13.532 -7.343 194 H ASN 23 H ASN 23 5.632 15.708 -1.705 195 HA ASN 23 HA ASN 23 7.306 17.687 -2.877 196 1HB ASN 23 2HB ASN 23 4.829 17.910 -2.480 197 2HB ASN 23 1HB ASN 23 5.185 18.118 -0.769 198 1HD2 ASN 23 1HD2 ASN 23 4.807 20.173 -0.331 199 2HD2 ASN 23 2HD2 ASN 23 5.430 21.522 -1.212 200 H SER 24 H SER 24 7.115 16.227 0.280 201 HA SER 24 HA SER 24 8.712 18.226 1.589 202 1HB SER 24 2HB SER 24 6.979 16.473 2.576 203 2HB SER 24 1HB SER 24 8.430 15.479 2.721 204 HG SER 24 HG SER 24 7.645 17.624 4.197 205 H VAL 25 H VAL 25 10.443 16.570 3.091 206 HA VAL 25 HA VAL 25 12.401 15.836 1.017 207 HB VAL 25 HB VAL 25 12.944 17.815 2.505 208 1HG1 VAL 25 1HG1 VAL 25 14.055 16.812 4.721 209 2HG1 VAL 25 2HG1 VAL 25 12.716 15.679 4.537 210 3HG1 VAL 25 3HG1 VAL 25 12.397 17.409 4.663 211 1HG2 VAL 25 1HG2 VAL 25 14.853 15.481 2.557 212 2HG2 VAL 25 2HG2 VAL 25 15.282 17.178 2.757 213 3HG2 VAL 25 3HG2 VAL 25 14.640 16.608 1.217 214 H GLY 26 H GLY 26 10.406 14.558 3.373 215 1HA GLY 26 2HA GLY 26 11.388 11.942 3.087 216 2HA GLY 26 1HA GLY 26 12.022 12.601 4.587 217 H ARG 27 H ARG 27 10.915 11.775 6.223 218 HA ARG 27 HA ARG 27 9.204 11.207 7.605 219 1HB ARG 27 2HB ARG 27 7.445 12.859 5.786 220 2HB ARG 27 1HB ARG 27 7.105 12.395 7.447 221 1HG ARG 27 2HG ARG 27 9.536 13.703 7.611 222 2HG ARG 27 1HG ARG 27 8.624 14.634 6.419 223 1HD ARG 27 2HD ARG 27 7.871 15.655 8.303 224 2HD ARG 27 1HD ARG 27 6.705 14.335 8.231 225 HE ARG 27 HE ARG 27 8.942 14.592 10.091 226 1HH1 ARG 27 1HH1 ARG 27 6.231 12.744 8.913 227 2HH1 ARG 27 2HH1 ARG 27 6.147 11.732 10.317 228 1HH2 ARG 27 1HH2 ARG 27 8.834 13.268 11.942 229 2HH2 ARG 27 2HH2 ARG 27 7.626 12.030 12.038 230 H TRP 28 H TRP 28 9.573 9.055 6.669 231 HA TRP 28 HA TRP 28 7.701 8.100 4.684 232 1HB TRP 28 2HB TRP 28 9.802 6.704 6.348 233 2HB TRP 28 1HB TRP 28 8.791 5.881 5.165 234 HD1 TRP 28 HD TRP 28 11.732 8.305 5.425 235 HE1 TRP 28 1HE TRP 28 12.859 8.483 3.118 236 HE3 TRP 28 3HE TRP 28 8.320 5.696 2.652 237 HZ2 TRP 28 2HZ TRP 28 12.366 7.630 0.473 238 HZ3 TRP 28 3HZ TRP 28 8.722 5.424 0.240 239 HH2 TRP 28 HH TRP 28 10.704 6.372 -0.826 240 H LYS 29 H LYS 29 6.663 5.853 5.261 241 HA LYS 29 HA LYS 29 5.685 5.640 7.976 242 1HB LYS 29 2HB LYS 29 4.025 6.705 5.747 243 2HB LYS 29 1HB LYS 29 3.263 5.548 6.830 244 1HG LYS 29 2HG LYS 29 3.327 6.968 8.620 245 2HG LYS 29 1HG LYS 29 4.740 7.837 8.021 246 1HD LYS 29 2HD LYS 29 3.274 8.773 6.210 247 2HD LYS 29 1HD LYS 29 1.896 8.060 7.053 248 1HE LYS 29 2HE LYS 29 3.777 9.796 8.578 249 2HE LYS 29 1HE LYS 29 2.619 10.555 7.486 250 1HZ LYS 29 1HZ LYS 29 1.067 8.823 8.822 251 2HZ LYS 29 2HZ LYS 29 1.268 10.447 9.250 252 3HZ LYS 29 3HZ LYS 29 2.178 9.249 10.025 253 H GLU 30 H GLU 30 5.154 3.534 8.456 254 HA GLU 30 HA GLU 30 5.132 1.666 6.171 255 1HB GLU 30 2HB GLU 30 5.977 0.627 8.808 256 2HB GLU 30 1HB GLU 30 6.590 0.265 7.200 257 1HG GLU 30 2HG GLU 30 7.409 2.829 7.497 258 2HG GLU 30 1HG GLU 30 7.481 2.252 9.161 259 H ALA 31 H ALA 31 3.586 0.170 6.042 260 HA ALA 31 HA ALA 31 1.848 -0.367 8.334 261 1HB ALA 31 1HB ALA 31 -0.017 -0.280 6.381 262 2HB ALA 31 2HB ALA 31 1.055 1.016 5.854 263 3HB ALA 31 3HB ALA 31 0.334 1.067 7.462 264 H THR 32 H THR 32 1.926 -2.519 8.579 265 HA THR 32 HA THR 32 2.411 -4.192 6.234 266 HB THR 32 HB THR 32 2.397 -5.032 9.134 267 HG1 THR 32 1HG THR 32 4.051 -3.497 8.704 268 1HG2 THR 32 1HG2 THR 32 2.088 -6.904 7.633 269 2HG2 THR 32 2HG2 THR 32 3.734 -6.940 8.262 270 3HG2 THR 32 3HG2 THR 32 3.430 -6.364 6.624 271 H ILE 33 H ILE 33 1.056 -5.699 5.466 272 HA ILE 33 HA ILE 33 -1.452 -6.226 6.897 273 HB ILE 33 HB ILE 33 -1.498 -5.903 3.918 274 1HG1 ILE 33 2HG1 ILE 33 -2.606 -3.568 4.972 275 2HG1 ILE 33 1HG1 ILE 33 -1.100 -3.778 5.860 276 1HG2 ILE 33 1HG2 ILE 33 -3.748 -6.021 4.125 277 2HG2 ILE 33 2HG2 ILE 33 -3.762 -5.167 5.669 278 3HG2 ILE 33 3HG2 ILE 33 -3.327 -6.875 5.609 279 1HD1 ILE 33 1HD1 ILE 33 -0.092 -4.158 3.488 280 2HD1 ILE 33 2HD1 ILE 33 -0.418 -2.525 4.069 281 3HD1 ILE 33 3HD1 ILE 33 -1.541 -3.305 2.955 282 HA PRO 34 HA PRO 34 0.207 -10.370 6.176 283 1HB PRO 34 2HB PRO 34 -2.590 -10.973 7.028 284 2HB PRO 34 1HB PRO 34 -1.068 -11.689 7.571 285 1HG PRO 34 2HG PRO 34 -2.337 -9.923 9.093 286 2HG PRO 34 1HG PRO 34 -0.569 -9.898 8.961 287 1HD PRO 34 2HD PRO 34 -2.586 -8.082 7.729 288 2HD PRO 34 1HD PRO 34 -0.954 -7.720 8.325 289 H GLY 35 H GLY 35 0.320 -10.274 3.898 290 1HA GLY 35 2HA GLY 35 -0.328 -10.672 1.726 291 2HA GLY 35 1HA GLY 35 -1.194 -12.020 2.444 292 H HIS 36 H HIS 36 -2.018 -8.711 3.202 293 HA HIS 36 HA HIS 36 -3.954 -7.541 2.934 294 1HB HIS 36 2HB HIS 36 -2.983 -8.257 0.359 295 2HB HIS 36 1HB HIS 36 -4.738 -8.389 0.314 296 HD2 HIS 36 2HD HIS 36 -2.849 -5.577 2.296 297 HE1 HIS 36 1HE HIS 36 -5.066 -3.862 -0.876 298 HE2 HIS 36 2HE HIS 36 -3.491 -3.392 1.055 299 H LEU 37 H LEU 37 -4.800 -9.196 4.523 300 HA LEU 37 HA LEU 37 -6.503 -11.264 3.561 301 1HB LEU 37 2HB LEU 37 -7.303 -11.407 5.928 302 2HB LEU 37 1HB LEU 37 -5.584 -11.626 5.702 303 HG LEU 37 HG LEU 37 -6.186 -10.335 7.733 304 1HD1 LEU 37 1HD1 LEU 37 -4.464 -8.735 7.561 305 2HD1 LEU 37 2HD1 LEU 37 -4.642 -8.622 5.811 306 3HD1 LEU 37 3HD1 LEU 37 -3.997 -10.094 6.539 307 1HD2 LEU 37 1HD2 LEU 37 -7.018 -8.107 7.617 308 2HD2 LEU 37 2HD2 LEU 37 -8.132 -9.151 6.735 309 3HD2 LEU 37 3HD2 LEU 37 -6.995 -8.131 5.853 310 H ASN 38 H ASN 38 -6.865 -7.982 3.573 311 HA ASN 38 HA ASN 38 -9.616 -8.147 2.822 312 1HB ASN 38 2HB ASN 38 -10.660 -6.996 4.570 313 2HB ASN 38 1HB ASN 38 -9.575 -8.097 5.413 314 1HD2 ASN 38 1HD2 ASN 38 -10.770 -5.273 5.837 315 2HD2 ASN 38 2HD2 ASN 38 -9.417 -4.369 6.419 316 H SER 39 H SER 39 -10.443 -5.613 2.863 317 HA SER 39 HA SER 39 -8.641 -4.336 1.011 318 1HB SER 39 2HB SER 39 -10.552 -2.521 1.174 319 2HB SER 39 1HB SER 39 -10.826 -4.036 0.312 320 HG SER 39 HG SER 39 -12.112 -4.722 1.883 321 H TYR 40 H TYR 40 -6.912 -3.362 1.857 322 HA TYR 40 HA TYR 40 -7.316 -1.584 4.170 323 1HB TYR 40 2HB TYR 40 -5.664 -3.671 4.193 324 2HB TYR 40 1HB TYR 40 -4.585 -2.517 3.417 325 HD1 TYR 40 1HD TYR 40 -4.688 -0.087 4.669 326 HD2 TYR 40 2HD TYR 40 -5.409 -3.875 6.468 327 HE1 TYR 40 1HE TYR 40 -4.109 0.853 6.864 328 HE2 TYR 40 2HE TYR 40 -4.835 -2.944 8.669 329 HH TYR 40 HH TYR 40 -3.661 0.373 9.014 330 H THR 41 H THR 41 -7.545 0.427 3.436 331 HA THR 41 HA THR 41 -5.715 1.354 1.320 332 HB THR 41 HB THR 41 -8.020 1.466 0.576 333 HG1 THR 41 1HG THR 41 -6.723 3.193 -0.090 334 1HG2 THR 41 1HG2 THR 41 -9.578 3.069 1.781 335 2HG2 THR 41 2HG2 THR 41 -8.451 2.994 3.136 336 3HG2 THR 41 3HG2 THR 41 -9.270 1.530 2.588 337 H ILE 42 H ILE 42 -4.690 3.339 1.550 338 HA ILE 42 HA ILE 42 -4.389 4.225 4.309 339 HB ILE 42 HB ILE 42 -2.812 4.780 1.806 340 1HG1 ILE 42 2HG1 ILE 42 -2.450 2.618 2.942 341 2HG1 ILE 42 1HG1 ILE 42 -1.026 3.646 3.020 342 1HG2 ILE 42 1HG2 ILE 42 -2.808 6.222 4.407 343 2HG2 ILE 42 2HG2 ILE 42 -2.522 6.829 2.777 344 3HG2 ILE 42 3HG2 ILE 42 -1.261 5.924 3.614 345 1HD1 ILE 42 1HD1 ILE 42 -2.474 4.229 5.326 346 2HD1 ILE 42 2HD1 ILE 42 -0.987 3.291 5.199 347 3HD1 ILE 42 3HD1 ILE 42 -2.550 2.476 5.147 348 H LYS 43 H LYS 43 -5.351 5.973 5.086 349 HA LYS 43 HA LYS 43 -6.061 8.160 3.270 350 1HB LYS 43 2HB LYS 43 -7.920 6.506 4.887 351 2HB LYS 43 1HB LYS 43 -8.215 8.239 4.869 352 1HG LYS 43 2HG LYS 43 -8.279 8.174 2.407 353 2HG LYS 43 1HG LYS 43 -8.065 6.424 2.471 354 1HD LYS 43 2HD LYS 43 -10.152 6.191 3.697 355 2HD LYS 43 1HD LYS 43 -10.355 7.945 3.719 356 1HE LYS 43 2HE LYS 43 -11.735 7.011 1.980 357 2HE LYS 43 1HE LYS 43 -10.420 7.929 1.248 358 1HZ LYS 43 1HZ LYS 43 -9.229 5.776 0.983 359 2HZ LYS 43 2HZ LYS 43 -10.643 5.900 0.064 360 3HZ LYS 43 3HZ LYS 43 -10.636 4.980 1.483 361 H GLY 44 H GLY 44 -6.592 10.176 4.430 362 1HA GLY 44 2HA GLY 44 -6.578 11.350 6.587 363 2HA GLY 44 1HA GLY 44 -5.250 10.301 7.059 364 H LEU 45 H LEU 45 -4.758 11.010 3.892 365 HA LEU 45 HA LEU 45 -2.599 12.793 4.481 366 1HB LEU 45 2HB LEU 45 -3.665 12.104 1.739 367 2HB LEU 45 1HB LEU 45 -2.048 12.641 2.166 368 HG LEU 45 HG LEU 45 -3.146 10.048 3.203 369 1HD1 LEU 45 1HD1 LEU 45 -1.520 10.303 0.693 370 2HD1 LEU 45 2HD1 LEU 45 -3.278 10.169 0.688 371 3HD1 LEU 45 3HD1 LEU 45 -2.296 8.863 1.353 372 1HD2 LEU 45 1HD2 LEU 45 -0.753 9.472 3.317 373 2HD2 LEU 45 2HD2 LEU 45 -1.169 10.871 4.309 374 3HD2 LEU 45 3HD2 LEU 45 -0.359 11.098 2.760 375 H LYS 46 H LYS 46 -2.677 14.500 2.212 376 HA LYS 46 HA LYS 46 -5.087 16.086 2.566 377 1HB LYS 46 2HB LYS 46 -3.370 16.860 4.227 378 2HB LYS 46 1HB LYS 46 -2.346 17.305 2.869 379 1HG LYS 46 2HG LYS 46 -4.225 18.785 2.084 380 2HG LYS 46 1HG LYS 46 -5.002 18.479 3.639 381 1HD LYS 46 2HD LYS 46 -3.425 19.670 4.814 382 2HD LYS 46 1HD LYS 46 -2.166 19.395 3.609 383 1HE LYS 46 2HE LYS 46 -3.927 21.632 3.909 384 2HE LYS 46 1HE LYS 46 -2.572 21.425 2.802 385 1HZ LYS 46 1HZ LYS 46 -5.367 20.538 2.324 386 2HZ LYS 46 2HZ LYS 46 -4.072 20.279 1.268 387 3HZ LYS 46 3HZ LYS 46 -4.598 21.853 1.589 388 HA PRO 47 HA PRO 47 -4.733 16.441 -1.840 389 1HB PRO 47 2HB PRO 47 -6.192 18.995 -1.439 390 2HB PRO 47 1HB PRO 47 -6.602 17.613 -2.459 391 1HG PRO 47 2HG PRO 47 -7.924 18.081 -0.190 392 2HG PRO 47 1HG PRO 47 -7.545 16.428 -0.706 393 1HD PRO 47 2HD PRO 47 -6.236 18.110 1.391 394 2HD PRO 47 1HD PRO 47 -6.577 16.367 1.390 395 H GLY 48 H GLY 48 -3.673 17.735 -3.409 396 1HA GLY 48 2HA GLY 48 -2.309 19.469 -4.174 397 2HA GLY 48 1HA GLY 48 -2.400 20.208 -2.581 398 H VAL 49 H VAL 49 -1.677 17.487 -1.436 399 HA VAL 49 HA VAL 49 1.224 17.707 -1.894 400 HB VAL 49 HB VAL 49 0.363 16.238 0.497 401 1HG1 VAL 49 1HG1 VAL 49 2.114 17.712 1.516 402 2HG1 VAL 49 2HG1 VAL 49 2.346 18.428 -0.079 403 3HG1 VAL 49 3HG1 VAL 49 2.672 16.713 0.174 404 1HG2 VAL 49 1HG2 VAL 49 -1.095 17.699 1.316 405 2HG2 VAL 49 2HG2 VAL 49 -0.856 18.780 -0.056 406 3HG2 VAL 49 3HG2 VAL 49 0.197 18.900 1.353 407 H VAL 50 H VAL 50 2.062 16.092 -3.030 408 HA VAL 50 HA VAL 50 0.608 13.634 -3.421 409 HB VAL 50 HB VAL 50 3.351 14.431 -4.408 410 1HG1 VAL 50 1HG1 VAL 50 2.440 11.912 -4.272 411 2HG1 VAL 50 2HG1 VAL 50 3.480 12.494 -5.573 412 3HG1 VAL 50 3HG1 VAL 50 1.735 12.395 -5.816 413 1HG2 VAL 50 1HG2 VAL 50 1.591 15.914 -5.232 414 2HG2 VAL 50 2HG2 VAL 50 0.676 14.519 -5.804 415 3HG2 VAL 50 3HG2 VAL 50 2.236 14.908 -6.529 416 H TYR 51 H TYR 51 1.204 11.585 -2.788 417 HA TYR 51 HA TYR 51 3.401 11.404 -0.834 418 1HB TYR 51 2HB TYR 51 0.609 10.295 -0.681 419 2HB TYR 51 1HB TYR 51 1.928 9.543 0.206 420 HD1 TYR 51 1HD TYR 51 3.013 10.725 2.059 421 HD2 TYR 51 2HD TYR 51 -0.285 12.433 -0.017 422 HE1 TYR 51 1HE TYR 51 2.706 12.338 3.888 423 HE2 TYR 51 2HE TYR 51 -0.603 14.049 1.809 424 HH TYR 51 HH TYR 51 0.063 13.974 4.473 425 H GLU 52 H GLU 52 4.939 10.364 -1.966 426 HA GLU 52 HA GLU 52 4.299 8.313 -3.877 427 1HB GLU 52 2HB GLU 52 6.738 8.133 -4.171 428 2HB GLU 52 1HB GLU 52 6.186 9.797 -4.300 429 1HG GLU 52 2HG GLU 52 7.003 10.311 -2.117 430 2HG GLU 52 1HG GLU 52 7.363 8.615 -1.798 431 H GLY 53 H GLY 53 4.239 6.188 -3.548 432 1HA GLY 53 2HA GLY 53 5.409 5.127 -1.064 433 2HA GLY 53 1HA GLY 53 3.745 4.755 -1.483 434 H GLN 54 H GLN 54 5.666 2.809 -1.027 435 HA GLN 54 HA GLN 54 5.822 1.570 -3.682 436 1HB GLN 54 2HB GLN 54 7.953 0.864 -1.747 437 2HB GLN 54 1HB GLN 54 8.027 1.009 -3.496 438 1HG GLN 54 2HG GLN 54 7.799 3.553 -3.036 439 2HG GLN 54 1HG GLN 54 8.321 3.121 -1.409 440 1HE2 GLN 54 1HE2 GLN 54 9.630 4.692 -3.546 441 2HE2 GLN 54 2HE2 GLN 54 11.171 3.946 -3.781 442 H LEU 55 H LEU 55 5.272 -0.563 -3.755 443 HA LEU 55 HA LEU 55 4.230 -1.719 -1.274 444 1HB LEU 55 2HB LEU 55 3.000 -1.460 -3.641 445 2HB LEU 55 1HB LEU 55 3.770 -3.010 -3.910 446 HG LEU 55 HG LEU 55 1.432 -3.185 -3.103 447 1HD1 LEU 55 1HD1 LEU 55 3.682 -4.619 -2.278 448 2HD1 LEU 55 2HD1 LEU 55 2.002 -5.154 -2.266 449 3HD1 LEU 55 3HD1 LEU 55 2.697 -4.401 -0.831 450 1HD2 LEU 55 1HD2 LEU 55 1.360 -2.818 -0.483 451 2HD2 LEU 55 2HD2 LEU 55 0.964 -1.526 -1.616 452 3HD2 LEU 55 3HD2 LEU 55 2.561 -1.587 -0.873 453 H ILE 56 H ILE 56 5.738 -2.876 -0.253 454 HA ILE 56 HA ILE 56 7.488 -4.610 -1.858 455 HB ILE 56 HB ILE 56 7.917 -3.496 0.913 456 1HG1 ILE 56 2HG1 ILE 56 9.993 -2.579 -0.454 457 2HG1 ILE 56 1HG1 ILE 56 8.897 -2.782 -1.816 458 1HG2 ILE 56 1HG2 ILE 56 8.827 -5.766 0.681 459 2HG2 ILE 56 2HG2 ILE 56 10.099 -4.555 0.853 460 3HG2 ILE 56 3HG2 ILE 56 9.743 -5.242 -0.733 461 1HD1 ILE 56 1HD1 ILE 56 8.602 -0.995 0.569 462 2HD1 ILE 56 2HD1 ILE 56 7.235 -1.409 -0.466 463 3HD1 ILE 56 3HD1 ILE 56 8.629 -0.565 -1.141 464 H SER 57 H SER 57 6.903 -6.664 -1.873 465 HA SER 57 HA SER 57 5.335 -7.750 0.330 466 1HB SER 57 2HB SER 57 6.106 -9.425 -2.011 467 2HB SER 57 1HB SER 57 4.579 -9.355 -1.125 468 HG SER 57 HG SER 57 4.736 -8.400 -3.363 469 H ILE 58 H ILE 58 6.319 -8.696 1.953 470 HA ILE 58 HA ILE 58 9.026 -9.747 1.580 471 HB ILE 58 HB ILE 58 7.545 -9.048 4.114 472 1HG1 ILE 58 2HG1 ILE 58 10.049 -7.736 3.104 473 2HG1 ILE 58 1HG1 ILE 58 8.480 -7.240 2.478 474 1HG2 ILE 58 1HG2 ILE 58 10.141 -10.418 3.627 475 2HG2 ILE 58 2HG2 ILE 58 8.936 -10.692 4.886 476 3HG2 ILE 58 3HG2 ILE 58 10.017 -9.302 4.988 477 1HD1 ILE 58 1HD1 ILE 58 9.765 -6.400 4.833 478 2HD1 ILE 58 2HD1 ILE 58 8.347 -7.330 5.319 479 3HD1 ILE 58 3HD1 ILE 58 8.168 -5.948 4.239 480 H GLN 59 H GLN 59 9.243 -11.822 1.271 481 HA GLN 59 HA GLN 59 7.193 -13.703 2.118 482 1HB GLN 59 2HB GLN 59 9.257 -13.624 0.064 483 2HB GLN 59 1HB GLN 59 9.249 -15.151 0.936 484 1HG GLN 59 2HG GLN 59 6.738 -13.973 -0.198 485 2HG GLN 59 1HG GLN 59 7.824 -14.970 -1.168 486 1HE2 GLN 59 1HE2 GLN 59 8.571 -16.965 0.354 487 2HE2 GLN 59 2HE2 GLN 59 7.228 -17.879 0.945 488 H GLN 60 H GLN 60 8.454 -15.979 2.691 489 HA GLN 60 HA GLN 60 9.289 -15.657 5.344 490 1HB GLN 60 2HB GLN 60 9.791 -18.014 5.323 491 2HB GLN 60 1HB GLN 60 8.323 -17.741 4.394 492 1HG GLN 60 2HG GLN 60 9.865 -17.710 2.346 493 2HG GLN 60 1HG GLN 60 11.063 -18.437 3.414 494 1HE2 GLN 60 1HE2 GLN 60 8.299 -18.951 1.499 495 2HE2 GLN 60 2HE2 GLN 60 8.086 -20.632 1.838 496 H TYR 61 H TYR 61 11.071 -15.477 2.384 497 HA TYR 61 HA TYR 61 13.616 -15.642 3.842 498 1HB TYR 61 2HB TYR 61 14.451 -15.460 1.315 499 2HB TYR 61 1HB TYR 61 13.977 -16.991 2.039 500 HD1 TYR 61 1HD TYR 61 12.806 -14.239 -0.146 501 HD2 TYR 61 2HD TYR 61 12.152 -18.225 1.190 502 HE1 TYR 61 1HE TYR 61 11.135 -14.553 -1.922 503 HE2 TYR 61 2HE TYR 61 10.479 -18.551 -0.582 504 HH TYR 61 HH TYR 61 9.894 -16.087 -3.034 505 H GLY 62 H GLY 62 11.561 -13.321 3.516 506 1HA GLY 62 2HA GLY 62 12.187 -11.059 4.003 507 2HA GLY 62 1HA GLY 62 13.639 -11.292 3.042 508 H HIS 63 H HIS 63 12.677 -9.112 2.315 509 HA HIS 63 HA HIS 63 10.420 -8.861 0.748 510 1HB HIS 63 2HB HIS 63 11.445 -6.901 -0.219 511 2HB HIS 63 1HB HIS 63 11.876 -6.986 1.484 512 HD2 HIS 63 2HD HIS 63 14.491 -8.880 1.316 513 HE1 HIS 63 1HE HIS 63 15.864 -6.018 -1.482 514 HE2 HIS 63 2HE HIS 63 16.559 -7.795 0.186 515 H GLN 64 H GLN 64 10.258 -8.600 -1.628 516 HA GLN 64 HA GLN 64 12.164 -9.828 -3.348 517 1HB GLN 64 2HB GLN 64 10.767 -11.783 -3.997 518 2HB GLN 64 1HB GLN 64 11.393 -11.882 -2.357 519 1HG GLN 64 2HG GLN 64 9.351 -12.018 -1.501 520 2HG GLN 64 1HG GLN 64 8.813 -10.600 -2.400 521 1HE2 GLN 64 1HE2 GLN 64 7.226 -12.855 -1.874 522 2HE2 GLN 64 2HE2 GLN 64 6.845 -13.611 -3.380 523 H GLU 65 H GLU 65 9.098 -8.382 -2.740 524 HA GLU 65 HA GLU 65 8.781 -7.851 -5.625 525 1HB GLU 65 2HB GLU 65 7.028 -9.247 -4.029 526 2HB GLU 65 1HB GLU 65 6.355 -7.624 -3.997 527 1HG GLU 65 2HG GLU 65 7.040 -8.223 -6.680 528 2HG GLU 65 1HG GLU 65 6.153 -9.597 -6.024 529 H VAL 66 H VAL 66 8.773 -5.754 -6.206 530 HA VAL 66 HA VAL 66 8.073 -3.736 -4.187 531 HB VAL 66 HB VAL 66 10.466 -3.515 -6.017 532 1HG1 VAL 66 1HG1 VAL 66 9.125 -1.640 -4.116 533 2HG1 VAL 66 2HG1 VAL 66 9.783 -1.331 -5.724 534 3HG1 VAL 66 3HG1 VAL 66 10.871 -1.542 -4.353 535 1HG2 VAL 66 1HG2 VAL 66 11.852 -3.979 -4.220 536 2HG2 VAL 66 2HG2 VAL 66 10.526 -5.117 -3.972 537 3HG2 VAL 66 3HG2 VAL 66 10.599 -3.628 -3.030 538 H THR 67 H THR 67 6.799 -2.127 -4.901 539 HA THR 67 HA THR 67 6.582 -1.636 -7.787 540 HB THR 67 HB THR 67 4.100 -1.768 -6.091 541 HG1 THR 67 1HG THR 67 4.465 -3.898 -7.762 542 1HG2 THR 67 1HG2 THR 67 2.947 -1.560 -8.054 543 2HG2 THR 67 2HG2 THR 67 4.193 -2.375 -8.999 544 3HG2 THR 67 3HG2 THR 67 4.417 -0.696 -8.506 545 H ARG 68 H ARG 68 6.760 0.484 -8.206 546 HA ARG 68 HA ARG 68 6.406 2.378 -6.001 547 1HB ARG 68 2HB ARG 68 7.507 3.095 -8.699 548 2HB ARG 68 1HB ARG 68 7.823 3.847 -7.140 549 1HG ARG 68 2HG ARG 68 9.398 2.312 -6.561 550 2HG ARG 68 1HG ARG 68 8.645 1.021 -7.498 551 1HD ARG 68 2HD ARG 68 9.741 3.316 -9.012 552 2HD ARG 68 1HD ARG 68 10.905 2.237 -8.244 553 HE ARG 68 HE ARG 68 8.885 0.870 -9.768 554 1HH1 ARG 68 1HH1 ARG 68 11.989 2.449 -9.895 555 2HH1 ARG 68 2HH1 ARG 68 12.509 1.592 -11.308 556 1HH2 ARG 68 1HH2 ARG 68 9.565 -0.265 -11.625 557 2HH2 ARG 68 2HH2 ARG 68 11.133 0.050 -12.290 558 H PHE 69 H PHE 69 4.874 3.919 -5.955 559 HA PHE 69 HA PHE 69 3.444 4.715 -8.334 560 1HB PHE 69 2HB PHE 69 1.202 4.194 -7.148 561 2HB PHE 69 1HB PHE 69 2.042 2.889 -7.976 562 HD1 PHE 69 1HD PHE 69 1.919 0.887 -6.887 563 HD2 PHE 69 2HD PHE 69 2.202 4.454 -4.581 564 HE1 PHE 69 1HE PHE 69 1.870 -0.448 -4.821 565 HE2 PHE 69 2HE PHE 69 2.158 3.124 -2.511 566 HZ PHE 69 HZ PHE 69 1.990 0.669 -2.630 567 H ASP 70 H ASP 70 1.943 6.481 -7.953 568 HA ASP 70 HA ASP 70 2.670 8.041 -5.561 569 1HB ASP 70 2HB ASP 70 1.604 9.086 -8.197 570 2HB ASP 70 1HB ASP 70 2.208 10.044 -6.847 571 H PHE 71 H PHE 71 1.056 8.680 -4.186 572 HA PHE 71 HA PHE 71 -1.701 8.600 -5.099 573 1HB PHE 71 2HB PHE 71 -2.438 6.840 -3.831 574 2HB PHE 71 1HB PHE 71 -0.811 6.282 -4.206 575 HD1 PHE 71 1HD PHE 71 1.032 6.890 -2.465 576 HD2 PHE 71 2HD PHE 71 -3.144 6.907 -1.635 577 HE1 PHE 71 1HE PHE 71 1.510 6.681 -0.062 578 HE2 PHE 71 2HE PHE 71 -2.671 6.697 0.768 579 HZ PHE 71 HZ PHE 71 -0.341 6.586 1.559 580 H THR 72 H THR 72 -3.142 9.745 -3.865 581 HA THR 72 HA THR 72 -2.335 10.900 -1.336 582 HB THR 72 HB THR 72 -2.221 13.088 -1.909 583 HG1 THR 72 1HG THR 72 -3.717 14.064 -3.153 584 1HG2 THR 72 1HG2 THR 72 -1.965 12.391 -4.796 585 2HG2 THR 72 2HG2 THR 72 -0.817 11.690 -3.656 586 3HG2 THR 72 3HG2 THR 72 -0.962 13.442 -3.797 587 H THR 73 H THR 73 -4.129 11.607 -0.087 588 HA THR 73 HA THR 73 -6.567 10.262 -0.700 589 HB THR 73 HB THR 73 -5.660 10.769 1.639 590 HG1 THR 73 1HG THR 73 -7.744 9.921 1.339 591 1HG2 THR 73 1HG2 THR 73 -5.957 12.831 2.620 592 2HG2 THR 73 2HG2 THR 73 -7.226 13.305 1.491 593 3HG2 THR 73 3HG2 THR 73 -5.540 13.308 0.974 594 H THR 74 H THR 74 -8.561 11.091 -1.292 595 HA THR 74 HA THR 74 -10.042 12.468 -2.334 596 HB THR 74 HB THR 74 -8.351 14.732 -1.334 597 HG1 THR 74 1HG THR 74 -9.252 13.157 0.265 598 1HG2 THR 74 1HG2 THR 74 -10.324 16.088 -1.566 599 2HG2 THR 74 2HG2 THR 74 -11.277 14.683 -2.045 600 3HG2 THR 74 3HG2 THR 74 -10.006 15.289 -3.106 601 H SER 75 H SER 75 -7.292 14.639 -2.753 602 HA SER 75 HA SER 75 -7.712 14.805 -5.571 603 1HB SER 75 2HB SER 75 -6.800 16.640 -4.063 604 2HB SER 75 1HB SER 75 -5.274 15.756 -4.059 605 HG SER 75 HG SER 75 -4.929 16.900 -5.797 606 H THR 76 H THR 76 -5.362 14.794 -6.820 607 HA THR 76 HA THR 76 -3.846 12.404 -6.224 608 HB THR 76 HB THR 76 -4.625 12.189 -8.990 609 HG1 THR 76 1HG THR 76 -6.835 11.360 -7.735 610 1HG2 THR 76 1HG2 THR 76 -4.637 9.953 -8.519 611 2HG2 THR 76 2HG2 THR 76 -5.405 10.176 -6.947 612 3HG2 THR 76 3HG2 THR 76 -3.686 10.519 -7.145 613 H SER 77 H SER 77 -2.262 12.008 -8.181 614 HA SER 77 HA SER 77 -1.093 14.629 -8.791 615 1HB SER 77 2HB SER 77 0.506 12.217 -9.354 616 2HB SER 77 1HB SER 77 0.957 13.702 -8.517 617 HG SER 77 HG SER 77 0.402 11.375 -7.441 618 H THR 78 H THR 78 -2.381 11.752 -10.267 619 HA THR 78 HA THR 78 -2.331 13.069 -12.855 620 HB THR 78 HB THR 78 -1.585 10.524 -13.609 621 HG1 THR 78 1HG THR 78 -0.918 10.158 -11.390 622 1HG2 THR 78 1HG2 THR 78 -0.518 12.020 -14.901 623 2HG2 THR 78 2HG2 THR 78 0.773 11.911 -13.706 624 3HG2 THR 78 3HG2 THR 78 -0.416 13.208 -13.602 625 HA PRO 79 HA PRO 79 -6.248 10.962 -12.912 626 1HB PRO 79 2HB PRO 79 -7.126 11.802 -15.301 627 2HB PRO 79 1HB PRO 79 -6.973 12.910 -13.932 628 1HG PRO 79 2HG PRO 79 -5.152 12.525 -16.271 629 2HG PRO 79 1HG PRO 79 -5.656 14.027 -15.478 630 1HD PRO 79 2HD PRO 79 -3.253 12.755 -15.028 631 2HD PRO 79 1HD PRO 79 -4.032 13.863 -13.881 632 H GLY 80 H GLY 80 -5.833 8.777 -13.024 633 1HA GLY 80 2HA GLY 80 -5.840 7.633 -15.715 634 2HA GLY 80 1HA GLY 80 -4.507 7.188 -14.662 635 H SER 81 H SER 81 -5.155 5.002 -14.770 636 HA SER 81 HA SER 81 -7.666 4.372 -13.376 637 1HB SER 81 2HB SER 81 -7.025 3.449 -15.757 638 2HB SER 81 1HB SER 81 -6.062 2.301 -14.827 639 HG SER 81 HG SER 81 -8.000 1.767 -13.689 640 H ARG 82 H ARG 82 -4.710 4.966 -12.469 641 HA ARG 82 HA ARG 82 -4.219 2.557 -10.896 642 1HB ARG 82 2HB ARG 82 -2.555 5.060 -10.798 643 2HB ARG 82 1HB ARG 82 -2.072 3.405 -10.455 644 1HG ARG 82 2HG ARG 82 -2.588 2.985 -12.952 645 2HG ARG 82 1HG ARG 82 -2.485 4.743 -13.095 646 1HD ARG 82 2HD ARG 82 -0.239 4.766 -12.363 647 2HD ARG 82 1HD ARG 82 -0.327 3.097 -11.802 648 HE ARG 82 HE ARG 82 -0.755 2.735 -14.380 649 1HH1 ARG 82 1HH1 ARG 82 1.554 4.817 -12.802 650 2HH1 ARG 82 2HH1 ARG 82 2.712 4.720 -14.088 651 1HH2 ARG 82 1HH2 ARG 82 0.760 2.606 -16.075 652 2HH2 ARG 82 2HH2 ARG 82 2.259 3.463 -15.950 653 H SER 83 H SER 83 -6.482 4.475 -10.435 654 HA SER 83 HA SER 83 -5.812 5.381 -7.720 655 1HB SER 83 2HB SER 83 -8.096 6.169 -9.545 656 2HB SER 83 1HB SER 83 -7.869 6.771 -7.903 657 HG SER 83 HG SER 83 -6.890 8.269 -9.118 658 H HIS 84 H HIS 84 -8.197 5.497 -6.500 659 HA HIS 84 HA HIS 84 -8.785 2.700 -6.042 660 1HB HIS 84 2HB HIS 84 -9.516 5.262 -4.648 661 2HB HIS 84 1HB HIS 84 -10.335 3.756 -4.248 662 HD2 HIS 84 2HD HIS 84 -7.450 5.712 -3.035 663 HE1 HIS 84 1HE HIS 84 -6.491 1.675 -2.199 664 HE2 HIS 84 2HE HIS 84 -6.005 4.094 -1.611 665 H HIS 85 H HIS 85 -9.675 2.727 -8.369 666 HA HIS 85 HA HIS 85 -12.190 3.909 -8.897 667 1HB HIS 85 2HB HIS 85 -10.458 1.881 -10.192 668 2HB HIS 85 1HB HIS 85 -12.169 1.818 -10.604 669 HD2 HIS 85 2HD HIS 85 -9.021 3.781 -11.462 670 HE1 HIS 85 1HE HIS 85 -12.309 5.819 -13.178 671 HE2 HIS 85 2HE HIS 85 -9.784 5.755 -12.962 672 H HIS 86 H HIS 86 -14.170 2.596 -9.412 673 HA HIS 86 HA HIS 86 -15.926 1.369 -8.653 674 1HB HIS 86 2HB HIS 86 -13.851 -0.395 -9.155 675 2HB HIS 86 1HB HIS 86 -14.383 -0.845 -7.539 676 HD2 HIS 86 2HD HIS 86 -15.933 -2.990 -7.935 677 HE1 HIS 86 1HE HIS 86 -18.220 -1.419 -11.131 678 HE2 HIS 86 2HE HIS 86 -17.799 -3.453 -9.678 679 H HIS 87 H HIS 87 -16.268 2.957 -6.975 680 HA HIS 87 HA HIS 87 -15.436 2.111 -4.292 681 1HB HIS 87 2HB HIS 87 -16.373 4.425 -3.668 682 2HB HIS 87 1HB HIS 87 -14.871 4.371 -4.586 683 HD2 HIS 87 2HD HIS 87 -14.992 5.369 -7.166 684 HE1 HIS 87 1HE HIS 87 -18.987 6.729 -6.850 685 HE2 HIS 87 2HE HIS 87 -16.941 6.618 -8.340 686 H HIS 88 H HIS 88 -17.158 0.354 -4.908 687 HA HIS 88 HA HIS 88 -19.775 1.281 -3.919 688 1HB HIS 88 2HB HIS 88 -19.031 -0.612 -6.080 689 2HB HIS 88 1HB HIS 88 -20.415 -1.054 -5.089 690 HD2 HIS 88 2HD HIS 88 -19.984 0.504 -8.302 691 HE1 HIS 88 1HE HIS 88 -23.065 2.786 -6.509 692 HE2 HIS 88 2HE HIS 88 -21.781 2.343 -8.650 693 H HIS 89 H HIS 89 -20.940 -0.148 -2.523 694 HA HIS 89 HA HIS 89 -19.178 -1.623 -0.748 695 1HB HIS 89 2HB HIS 89 -21.635 -0.184 -0.472 696 2HB HIS 89 1HB HIS 89 -21.885 -1.833 0.092 697 HD2 HIS 89 2HD HIS 89 -20.992 -2.331 2.581 698 HE1 HIS 89 1HE HIS 89 -18.668 1.181 3.005 699 HE2 HIS 89 2HE HIS 89 -19.402 -0.976 4.120 Start of MODEL 26 1 1H MET 1 1HT MET 1 -15.527 -8.308 -25.688 2 2H MET 1 2HT MET 1 -14.847 -9.161 -24.396 3 3H MET 1 3HT MET 1 -15.045 -9.916 -25.896 4 HA MET 1 HA MET 1 -13.429 -8.502 -26.913 5 1HB MET 1 2HB MET 1 -13.901 -7.010 -24.427 6 2HB MET 1 1HB MET 1 -12.207 -7.111 -24.885 7 1HG MET 1 2HG MET 1 -14.443 -6.075 -26.609 8 2HG MET 1 1HG MET 1 -13.246 -5.099 -25.760 9 1HE MET 1 1HE MET 1 -9.957 -5.871 -27.617 10 2HE MET 1 2HE MET 1 -10.615 -6.182 -26.010 11 3HE MET 1 3HE MET 1 -10.798 -4.589 -26.745 12 H ARG 2 H ARG 2 -10.974 -8.125 -25.614 13 HA ARG 2 HA ARG 2 -10.385 -10.868 -24.716 14 1HB ARG 2 2HB ARG 2 -8.368 -9.013 -25.956 15 2HB ARG 2 1HB ARG 2 -8.289 -10.761 -25.790 16 1HG ARG 2 2HG ARG 2 -10.499 -9.651 -27.419 17 2HG ARG 2 1HG ARG 2 -8.867 -9.572 -28.086 18 1HD ARG 2 2HD ARG 2 -8.815 -12.095 -27.294 19 2HD ARG 2 1HD ARG 2 -10.563 -11.935 -27.468 20 HE ARG 2 HE ARG 2 -9.171 -10.965 -29.759 21 1HH1 ARG 2 1HH1 ARG 2 -10.274 -13.869 -28.182 22 2HH1 ARG 2 2HH1 ARG 2 -10.375 -14.782 -29.650 23 1HH2 ARG 2 1HH2 ARG 2 -9.298 -12.160 -31.698 24 2HH2 ARG 2 2HH2 ARG 2 -9.817 -13.811 -31.648 25 H GLY 3 H GLY 3 -10.447 -10.666 -22.527 26 1HA GLY 3 2HA GLY 3 -8.605 -8.677 -21.346 27 2HA GLY 3 1HA GLY 3 -10.124 -9.137 -20.592 28 H SER 4 H SER 4 -8.385 -9.433 -18.833 29 HA SER 4 HA SER 4 -7.865 -12.285 -18.660 30 1HB SER 4 2HB SER 4 -5.792 -10.467 -19.348 31 2HB SER 4 1HB SER 4 -5.502 -10.990 -17.689 32 HG SER 4 HG SER 4 -4.579 -12.364 -19.347 33 H ASN 5 H ASN 5 -6.498 -9.582 -16.821 34 HA ASN 5 HA ASN 5 -6.585 -9.061 -14.608 35 1HB ASN 5 2HB ASN 5 -9.434 -9.656 -15.313 36 2HB ASN 5 1HB ASN 5 -9.013 -9.307 -13.641 37 1HD2 ASN 5 1HD2 ASN 5 -10.712 -7.626 -14.678 38 2HD2 ASN 5 2HD2 ASN 5 -9.978 -6.122 -15.105 39 H ALA 6 H ALA 6 -5.194 -10.975 -14.258 40 HA ALA 6 HA ALA 6 -6.563 -13.190 -12.907 41 1HB ALA 6 1HB ALA 6 -4.736 -13.412 -14.790 42 2HB ALA 6 2HB ALA 6 -4.802 -14.549 -13.443 43 3HB ALA 6 3HB ALA 6 -3.633 -13.230 -13.425 44 HA PRO 7 HA PRO 7 -5.033 -11.476 -9.084 45 1HB PRO 7 2HB PRO 7 -6.339 -13.144 -7.425 46 2HB PRO 7 1HB PRO 7 -7.170 -11.878 -8.331 47 1HG PRO 7 2HG PRO 7 -7.165 -14.800 -8.754 48 2HG PRO 7 1HG PRO 7 -8.387 -13.600 -9.198 49 1HD PRO 7 2HD PRO 7 -6.407 -14.779 -10.878 50 2HD PRO 7 1HD PRO 7 -7.567 -13.506 -11.300 51 H GLN 8 H GLN 8 -4.226 -12.547 -6.912 52 HA GLN 8 HA GLN 8 -1.959 -14.173 -7.642 53 1HB GLN 8 2HB GLN 8 -2.309 -13.812 -4.795 54 2HB GLN 8 1HB GLN 8 -0.987 -13.303 -5.831 55 1HG GLN 8 2HG GLN 8 -2.314 -11.323 -6.484 56 2HG GLN 8 1HG GLN 8 -3.559 -11.820 -5.339 57 1HE2 GLN 8 1HE2 GLN 8 -3.313 -9.900 -4.176 58 2HE2 GLN 8 2HE2 GLN 8 -1.959 -9.631 -3.139 59 HA PRO 9 HA PRO 9 -3.957 -18.059 -6.813 60 1HB PRO 9 2HB PRO 9 -1.659 -19.554 -6.583 61 2HB PRO 9 1HB PRO 9 -2.411 -19.117 -8.120 62 1HG PRO 9 2HG PRO 9 -0.096 -17.851 -6.714 63 2HG PRO 9 1HG PRO 9 -0.317 -18.180 -8.443 64 1HD PRO 9 2HD PRO 9 -0.661 -15.720 -7.412 65 2HD PRO 9 1HD PRO 9 -1.653 -16.318 -8.757 66 H SER 10 H SER 10 -1.197 -16.975 -4.875 67 HA SER 10 HA SER 10 -2.518 -18.110 -2.502 68 1HB SER 10 2HB SER 10 0.181 -18.612 -3.531 69 2HB SER 10 1HB SER 10 0.158 -18.120 -1.837 70 HG SER 10 HG SER 10 -1.794 -19.906 -2.300 71 H HIS 11 H HIS 11 -1.101 -17.151 -0.487 72 HA HIS 11 HA HIS 11 -1.064 -14.233 -0.901 73 1HB HIS 11 2HB HIS 11 -1.826 -15.687 1.639 74 2HB HIS 11 1HB HIS 11 -1.893 -13.949 1.360 75 HD2 HIS 11 2HD HIS 11 -4.093 -13.030 -0.024 76 HE1 HIS 11 1HE HIS 11 -5.979 -16.809 -0.308 77 HE2 HIS 11 2HE HIS 11 -6.200 -14.330 -0.799 78 H ILE 12 H ILE 12 0.579 -13.052 0.004 79 HA ILE 12 HA ILE 12 2.989 -14.494 0.646 80 HB ILE 12 HB ILE 12 3.184 -12.512 -0.718 81 1HG1 ILE 12 2HG1 ILE 12 4.349 -11.384 1.750 82 2HG1 ILE 12 1HG1 ILE 12 4.778 -13.063 1.425 83 1HG2 ILE 12 1HG2 ILE 12 2.693 -10.421 1.145 84 2HG2 ILE 12 2HG2 ILE 12 1.269 -11.459 1.075 85 3HG2 ILE 12 3HG2 ILE 12 1.904 -10.733 -0.400 86 1HD1 ILE 12 1HD1 ILE 12 5.030 -11.516 -0.968 87 2HD1 ILE 12 2HD1 ILE 12 6.256 -12.436 -0.095 88 3HD1 ILE 12 3HD1 ILE 12 5.929 -10.760 0.345 89 H SER 13 H SER 13 4.248 -14.162 2.574 90 HA SER 13 HA SER 13 2.926 -14.582 4.949 91 1HB SER 13 2HB SER 13 5.681 -13.637 4.270 92 2HB SER 13 1HB SER 13 5.160 -13.582 5.954 93 HG SER 13 HG SER 13 4.482 -15.887 5.459 94 H LYS 14 H LYS 14 4.332 -11.490 3.831 95 HA LYS 14 HA LYS 14 2.180 -10.032 5.062 96 1HB LYS 14 2HB LYS 14 4.202 -8.632 6.238 97 2HB LYS 14 1HB LYS 14 3.184 -9.808 7.057 98 1HG LYS 14 2HG LYS 14 4.924 -11.109 7.467 99 2HG LYS 14 1HG LYS 14 5.362 -11.143 5.758 100 1HD LYS 14 2HD LYS 14 7.179 -9.974 6.303 101 2HD LYS 14 1HD LYS 14 6.109 -8.607 6.620 102 1HE LYS 14 2HE LYS 14 7.042 -10.675 8.607 103 2HE LYS 14 1HE LYS 14 7.541 -8.986 8.531 104 1HZ LYS 14 1HZ LYS 14 5.732 -9.680 10.202 105 2HZ LYS 14 2HZ LYS 14 4.696 -9.679 8.866 106 3HZ LYS 14 3HZ LYS 14 5.507 -8.261 9.307 107 H TYR 15 H TYR 15 1.968 -7.962 4.319 108 HA TYR 15 HA TYR 15 3.719 -7.208 2.083 109 1HB TYR 15 2HB TYR 15 0.833 -7.006 2.607 110 2HB TYR 15 1HB TYR 15 1.539 -5.530 1.963 111 HD1 TYR 15 1HD TYR 15 3.346 -6.189 -0.043 112 HD2 TYR 15 2HD TYR 15 -0.187 -8.306 1.021 113 HE1 TYR 15 1HE TYR 15 3.226 -7.120 -2.315 114 HE2 TYR 15 2HE TYR 15 -0.314 -9.246 -1.246 115 HH TYR 15 HH TYR 15 0.475 -8.723 -3.506 116 H ILE 16 H ILE 16 4.781 -5.259 2.097 117 HA ILE 16 HA ILE 16 4.445 -3.597 4.491 118 HB ILE 16 HB ILE 16 6.777 -4.779 3.347 119 1HG1 ILE 16 2HG1 ILE 16 5.999 -4.433 5.770 120 2HG1 ILE 16 1HG1 ILE 16 7.713 -4.278 5.422 121 1HG2 ILE 16 1HG2 ILE 16 7.037 -2.801 1.988 122 2HG2 ILE 16 2HG2 ILE 16 8.266 -2.835 3.251 123 3HG2 ILE 16 3HG2 ILE 16 6.871 -1.767 3.409 124 1HD1 ILE 16 1HD1 ILE 16 6.098 -2.461 6.763 125 2HD1 ILE 16 2HD1 ILE 16 6.377 -1.733 5.182 126 3HD1 ILE 16 3HD1 ILE 16 7.745 -2.196 6.193 127 H LEU 17 H LEU 17 4.295 -1.393 4.277 128 HA LEU 17 HA LEU 17 4.241 -0.317 1.542 129 1HB LEU 17 2HB LEU 17 1.982 -0.779 2.990 130 2HB LEU 17 1HB LEU 17 2.343 0.877 3.446 131 HG LEU 17 HG LEU 17 2.458 0.330 0.552 132 1HD1 LEU 17 1HD1 LEU 17 0.166 0.107 0.175 133 2HD1 LEU 17 2HD1 LEU 17 -0.246 0.542 1.834 134 3HD1 LEU 17 3HD1 LEU 17 0.490 -1.024 1.489 135 1HD2 LEU 17 1HD2 LEU 17 2.726 2.562 1.144 136 2HD2 LEU 17 2HD2 LEU 17 1.468 2.487 2.378 137 3HD2 LEU 17 3HD2 LEU 17 1.030 2.470 0.669 138 H ARG 18 H ARG 18 5.721 1.207 1.370 139 HA ARG 18 HA ARG 18 6.225 2.951 3.685 140 1HB ARG 18 2HB ARG 18 8.120 1.840 1.626 141 2HB ARG 18 1HB ARG 18 8.533 3.237 2.613 142 1HG ARG 18 2HG ARG 18 9.098 1.941 4.317 143 2HG ARG 18 1HG ARG 18 7.540 1.112 4.266 144 1HD ARG 18 2HD ARG 18 9.458 -0.415 3.965 145 2HD ARG 18 1HD ARG 18 8.353 -0.417 2.590 146 HE ARG 18 HE ARG 18 10.094 1.283 1.673 147 1HH1 ARG 18 1HH1 ARG 18 10.754 -1.560 3.578 148 2HH1 ARG 18 2HH1 ARG 18 12.326 -1.810 2.895 149 1HH2 ARG 18 1HH2 ARG 18 12.162 0.964 0.769 150 2HH2 ARG 18 2HH2 ARG 18 13.126 -0.375 1.298 151 H TRP 19 H TRP 19 5.928 5.088 3.388 152 HA TRP 19 HA TRP 19 6.158 6.240 0.736 153 1HB TRP 19 2HB TRP 19 3.939 7.076 0.569 154 2HB TRP 19 1HB TRP 19 3.802 5.360 0.933 155 HD1 TRP 19 HD TRP 19 2.770 8.736 2.183 156 HE1 TRP 19 1HE TRP 19 1.413 8.484 4.356 157 HE3 TRP 19 3HE TRP 19 3.699 3.803 3.158 158 HZ2 TRP 19 2HZ TRP 19 0.819 6.467 6.235 159 HZ3 TRP 19 3HZ TRP 19 2.697 2.789 5.165 160 HH2 TRP 19 HH TRP 19 1.287 4.096 6.670 161 H ARG 20 H ARG 20 6.027 8.564 0.711 162 HA ARG 20 HA ARG 20 5.996 10.035 3.180 163 1HB ARG 20 2HB ARG 20 8.256 10.774 3.202 164 2HB ARG 20 1HB ARG 20 8.317 9.024 3.056 165 1HG ARG 20 2HG ARG 20 9.533 9.197 1.216 166 2HG ARG 20 1HG ARG 20 8.269 10.157 0.442 167 1HD ARG 20 2HD ARG 20 9.289 12.133 0.913 168 2HD ARG 20 1HD ARG 20 9.980 11.539 2.422 169 HE ARG 20 HE ARG 20 11.115 10.433 -0.005 170 1HH1 ARG 20 1HH1 ARG 20 11.329 12.854 2.491 171 2HH1 ARG 20 2HH1 ARG 20 13.015 13.159 2.232 172 1HH2 ARG 20 1HH2 ARG 20 13.338 10.828 -0.355 173 2HH2 ARG 20 2HH2 ARG 20 14.156 12.008 0.615 174 HA PRO 21 HA PRO 21 4.671 13.315 0.538 175 1HB PRO 21 2HB PRO 21 6.083 15.473 1.540 176 2HB PRO 21 1HB PRO 21 4.578 14.848 2.219 177 1HG PRO 21 2HG PRO 21 7.395 14.365 3.086 178 2HG PRO 21 1HG PRO 21 5.939 14.603 4.071 179 1HD PRO 21 2HD PRO 21 6.995 12.164 3.683 180 2HD PRO 21 1HD PRO 21 5.238 12.412 3.790 181 H LYS 22 H LYS 22 5.340 13.223 -1.510 182 HA LYS 22 HA LYS 22 8.056 13.160 -2.312 183 1HB LYS 22 2HB LYS 22 5.731 12.462 -3.493 184 2HB LYS 22 1HB LYS 22 6.025 14.000 -4.292 185 1HG LYS 22 2HG LYS 22 8.408 13.016 -4.685 186 2HG LYS 22 1HG LYS 22 7.599 11.473 -4.405 187 1HD LYS 22 2HD LYS 22 5.894 12.771 -6.136 188 2HD LYS 22 1HD LYS 22 7.493 13.249 -6.712 189 1HE LYS 22 2HE LYS 22 7.165 10.398 -6.043 190 2HE LYS 22 1HE LYS 22 6.248 10.967 -7.437 191 1HZ LYS 22 1HZ LYS 22 8.343 11.871 -8.335 192 2HZ LYS 22 2HZ LYS 22 8.377 10.189 -8.160 193 3HZ LYS 22 3HZ LYS 22 9.183 11.172 -7.044 194 H ASN 23 H ASN 23 5.638 15.737 -2.190 195 HA ASN 23 HA ASN 23 7.563 17.641 -3.284 196 1HB ASN 23 2HB ASN 23 4.629 17.883 -2.614 197 2HB ASN 23 1HB ASN 23 5.612 19.233 -3.171 198 1HD2 ASN 23 1HD2 ASN 23 6.825 18.795 -5.238 199 2HD2 ASN 23 2HD2 ASN 23 5.965 17.956 -6.480 200 H SER 24 H SER 24 5.711 17.045 -0.329 201 HA SER 24 HA SER 24 6.935 19.316 1.000 202 1HB SER 24 2HB SER 24 4.738 17.414 1.609 203 2HB SER 24 1HB SER 24 5.609 18.080 2.989 204 HG SER 24 HG SER 24 3.801 19.364 2.331 205 H VAL 25 H VAL 25 7.995 19.032 3.120 206 HA VAL 25 HA VAL 25 9.919 16.849 2.971 207 HB VAL 25 HB VAL 25 10.622 19.250 3.339 208 1HG1 VAL 25 1HG1 VAL 25 10.498 20.114 5.636 209 2HG1 VAL 25 2HG1 VAL 25 9.490 18.738 6.088 210 3HG1 VAL 25 3HG1 VAL 25 8.902 19.916 4.913 211 1HG2 VAL 25 1HG2 VAL 25 11.485 17.310 5.479 212 2HG2 VAL 25 2HG2 VAL 25 12.408 18.672 4.843 213 3HG2 VAL 25 3HG2 VAL 25 12.059 17.286 3.810 214 H GLY 26 H GLY 26 10.338 15.414 4.690 215 1HA GLY 26 2HA GLY 26 9.170 15.383 7.191 216 2HA GLY 26 1HA GLY 26 8.021 14.590 6.123 217 H ARG 27 H ARG 27 8.178 12.530 6.842 218 HA ARG 27 HA ARG 27 10.721 11.173 6.327 219 1HB ARG 27 2HB ARG 27 9.123 10.523 8.790 220 2HB ARG 27 1HB ARG 27 10.780 10.072 8.409 221 1HG ARG 27 2HG ARG 27 11.431 11.785 9.658 222 2HG ARG 27 1HG ARG 27 10.796 12.851 8.400 223 1HD ARG 27 2HD ARG 27 8.668 11.899 10.089 224 2HD ARG 27 1HD ARG 27 9.938 12.642 11.061 225 HE ARG 27 HE ARG 27 9.677 14.620 9.573 226 1HH1 ARG 27 1HH1 ARG 27 7.068 12.338 9.937 227 2HH1 ARG 27 2HH1 ARG 27 5.836 13.490 9.537 228 1HH2 ARG 27 1HH2 ARG 27 8.062 16.138 9.044 229 2HH2 ARG 27 2HH2 ARG 27 6.402 15.647 9.028 230 H TRP 28 H TRP 28 10.434 8.751 6.344 231 HA TRP 28 HA TRP 28 8.206 8.085 4.672 232 1HB TRP 28 2HB TRP 28 10.426 6.397 5.841 233 2HB TRP 28 1HB TRP 28 9.212 5.784 4.722 234 HD1 TRP 28 HD TRP 28 12.122 8.317 4.837 235 HE1 TRP 28 1HE TRP 28 13.005 8.631 2.441 236 HE3 TRP 28 3HE TRP 28 8.658 5.522 2.319 237 HZ2 TRP 28 2HZ TRP 28 12.327 7.804 -0.170 238 HZ3 TRP 28 3HZ TRP 28 8.848 5.334 -0.128 239 HH2 TRP 28 HH TRP 28 10.645 6.454 -1.345 240 H LYS 29 H LYS 29 7.098 5.867 5.154 241 HA LYS 29 HA LYS 29 6.433 5.540 7.975 242 1HB LYS 29 2HB LYS 29 4.393 6.180 5.832 243 2HB LYS 29 1HB LYS 29 3.986 5.564 7.428 244 1HG LYS 29 2HG LYS 29 5.648 7.800 7.826 245 2HG LYS 29 1HG LYS 29 4.459 8.252 6.602 246 1HD LYS 29 2HD LYS 29 2.648 7.612 8.058 247 2HD LYS 29 1HD LYS 29 3.782 6.979 9.253 248 1HE LYS 29 2HE LYS 29 4.657 9.199 9.650 249 2HE LYS 29 1HE LYS 29 3.631 9.861 8.378 250 1HZ LYS 29 1HZ LYS 29 1.805 9.789 9.684 251 2HZ LYS 29 2HZ LYS 29 2.950 9.906 10.924 252 3HZ LYS 29 3HZ LYS 29 2.295 8.400 10.517 253 H GLU 30 H GLU 30 5.829 3.438 8.475 254 HA GLU 30 HA GLU 30 5.780 1.573 6.194 255 1HB GLU 30 2HB GLU 30 6.947 1.141 8.947 256 2HB GLU 30 1HB GLU 30 6.817 -0.100 7.706 257 1HG GLU 30 2HG GLU 30 8.914 0.515 7.228 258 2HG GLU 30 1HG GLU 30 8.124 1.814 6.333 259 H ALA 31 H ALA 31 4.210 0.121 6.063 260 HA ALA 31 HA ALA 31 2.487 -0.413 8.367 261 1HB ALA 31 1HB ALA 31 1.575 0.691 5.722 262 2HB ALA 31 2HB ALA 31 1.220 1.283 7.345 263 3HB ALA 31 3HB ALA 31 0.494 -0.219 6.776 264 H THR 32 H THR 32 2.080 -2.549 8.537 265 HA THR 32 HA THR 32 2.685 -4.209 6.185 266 HB THR 32 HB THR 32 2.761 -5.113 9.061 267 HG1 THR 32 1HG THR 32 5.190 -5.008 8.058 268 1HG2 THR 32 1HG2 THR 32 4.006 -7.007 8.174 269 2HG2 THR 32 2HG2 THR 32 3.913 -6.334 6.546 270 3HG2 THR 32 3HG2 THR 32 2.446 -6.882 7.361 271 H ILE 33 H ILE 33 1.299 -5.639 5.427 272 HA ILE 33 HA ILE 33 -1.108 -6.326 6.945 273 HB ILE 33 HB ILE 33 -1.482 -5.936 4.029 274 1HG1 ILE 33 2HG1 ILE 33 -2.122 -3.457 5.331 275 2HG1 ILE 33 1HG1 ILE 33 -0.417 -3.819 5.584 276 1HG2 ILE 33 1HG2 ILE 33 -3.587 -6.221 4.651 277 2HG2 ILE 33 2HG2 ILE 33 -3.505 -4.774 5.655 278 3HG2 ILE 33 3HG2 ILE 33 -3.070 -6.343 6.332 279 1HD1 ILE 33 1HD1 ILE 33 -1.756 -3.812 2.893 280 2HD1 ILE 33 2HD1 ILE 33 -0.029 -3.945 3.232 281 3HD1 ILE 33 3HD1 ILE 33 -0.885 -2.442 3.579 282 HA PRO 34 HA PRO 34 0.788 -10.212 5.581 283 1HB PRO 34 2HB PRO 34 -1.545 -11.305 7.044 284 2HB PRO 34 1HB PRO 34 0.169 -11.689 7.212 285 1HG PRO 34 2HG PRO 34 -1.091 -10.228 9.054 286 2HG PRO 34 1HG PRO 34 0.580 -9.864 8.580 287 1HD PRO 34 2HD PRO 34 -1.959 -8.487 7.793 288 2HD PRO 34 1HD PRO 34 -0.373 -7.791 8.182 289 H GLY 35 H GLY 35 0.452 -10.583 3.474 290 1HA GLY 35 2HA GLY 35 -0.583 -11.215 1.528 291 2HA GLY 35 1HA GLY 35 -1.705 -12.098 2.552 292 H HIS 36 H HIS 36 -3.755 -11.397 2.720 293 HA HIS 36 HA HIS 36 -4.495 -8.665 2.288 294 1HB HIS 36 2HB HIS 36 -4.275 -10.241 -0.011 295 2HB HIS 36 1HB HIS 36 -6.000 -10.202 0.341 296 HD2 HIS 36 2HD HIS 36 -7.237 -7.734 0.060 297 HE1 HIS 36 1HE HIS 36 -3.836 -5.816 -1.574 298 HE2 HIS 36 2HE HIS 36 -6.354 -5.706 -1.296 299 H LEU 37 H LEU 37 -5.544 -8.822 4.249 300 HA LEU 37 HA LEU 37 -7.494 -10.904 4.700 301 1HB LEU 37 2HB LEU 37 -7.960 -9.304 6.770 302 2HB LEU 37 1HB LEU 37 -6.639 -10.449 6.741 303 HG LEU 37 HG LEU 37 -6.119 -8.151 7.644 304 1HD1 LEU 37 1HD1 LEU 37 -4.487 -9.178 5.334 305 2HD1 LEU 37 2HD1 LEU 37 -4.358 -9.671 7.022 306 3HD1 LEU 37 3HD1 LEU 37 -3.926 -8.028 6.548 307 1HD2 LEU 37 1HD2 LEU 37 -5.620 -7.034 5.006 308 2HD2 LEU 37 2HD2 LEU 37 -6.338 -6.295 6.437 309 3HD2 LEU 37 3HD2 LEU 37 -7.336 -7.257 5.348 310 H ASN 38 H ASN 38 -7.452 -7.652 3.549 311 HA ASN 38 HA ASN 38 -10.017 -7.726 2.477 312 1HB ASN 38 2HB ASN 38 -11.136 -6.030 3.986 313 2HB ASN 38 1HB ASN 38 -10.964 -7.643 4.668 314 1HD2 ASN 38 1HD2 ASN 38 -9.542 -4.421 4.621 315 2HD2 ASN 38 2HD2 ASN 38 -8.861 -4.503 6.206 316 H SER 39 H SER 39 -10.791 -5.099 2.480 317 HA SER 39 HA SER 39 -8.765 -3.918 0.827 318 1HB SER 39 2HB SER 39 -10.520 -1.950 0.932 319 2HB SER 39 1HB SER 39 -10.874 -3.414 0.014 320 HG SER 39 HG SER 39 -12.559 -2.652 1.500 321 H TYR 40 H TYR 40 -7.019 -3.110 1.802 322 HA TYR 40 HA TYR 40 -7.384 -1.451 4.204 323 1HB TYR 40 2HB TYR 40 -5.807 -3.560 4.095 324 2HB TYR 40 1HB TYR 40 -4.700 -2.434 3.316 325 HD1 TYR 40 1HD TYR 40 -5.739 -3.761 6.396 326 HD2 TYR 40 2HD TYR 40 -4.370 -0.149 4.611 327 HE1 TYR 40 1HE TYR 40 -5.033 -2.943 8.606 328 HE2 TYR 40 2HE TYR 40 -3.659 0.678 6.814 329 HH TYR 40 HH TYR 40 -4.681 -0.414 9.607 330 H THR 41 H THR 41 -7.439 0.648 3.766 331 HA THR 41 HA THR 41 -5.628 1.693 1.689 332 HB THR 41 HB THR 41 -7.803 1.985 0.810 333 HG1 THR 41 1HG THR 41 -7.388 4.479 2.086 334 1HG2 THR 41 1HG2 THR 41 -9.208 1.546 2.668 335 2HG2 THR 41 2HG2 THR 41 -9.578 3.194 2.159 336 3HG2 THR 41 3HG2 THR 41 -8.561 2.914 3.573 337 H ILE 42 H ILE 42 -4.284 3.289 2.255 338 HA ILE 42 HA ILE 42 -4.302 4.184 5.026 339 HB ILE 42 HB ILE 42 -2.288 4.363 2.801 340 1HG1 ILE 42 2HG1 ILE 42 -1.681 3.467 5.576 341 2HG1 ILE 42 1HG1 ILE 42 -2.675 2.410 4.576 342 1HG2 ILE 42 1HG2 ILE 42 -0.851 5.521 4.621 343 2HG2 ILE 42 2HG2 ILE 42 -2.406 5.986 5.310 344 3HG2 ILE 42 3HG2 ILE 42 -1.983 6.487 3.673 345 1HD1 ILE 42 1HD1 ILE 42 -0.046 2.218 4.642 346 2HD1 ILE 42 2HD1 ILE 42 -0.171 3.465 3.400 347 3HD1 ILE 42 3HD1 ILE 42 -0.967 1.908 3.170 348 H LYS 43 H LYS 43 -5.046 6.098 5.658 349 HA LYS 43 HA LYS 43 -5.329 8.228 3.645 350 1HB LYS 43 2HB LYS 43 -7.460 6.975 4.691 351 2HB LYS 43 1HB LYS 43 -7.214 8.191 5.939 352 1HG LYS 43 2HG LYS 43 -7.120 9.842 3.929 353 2HG LYS 43 1HG LYS 43 -7.952 8.543 3.071 354 1HD LYS 43 2HD LYS 43 -9.060 9.159 5.717 355 2HD LYS 43 1HD LYS 43 -9.184 10.475 4.547 356 1HE LYS 43 2HE LYS 43 -9.954 7.716 3.719 357 2HE LYS 43 1HE LYS 43 -11.060 8.647 4.728 358 1HZ LYS 43 1HZ LYS 43 -10.756 8.806 1.985 359 2HZ LYS 43 2HZ LYS 43 -10.102 10.241 2.597 360 3HZ LYS 43 3HZ LYS 43 -11.694 9.813 2.972 361 H GLY 44 H GLY 44 -5.509 10.429 4.661 362 1HA GLY 44 2HA GLY 44 -5.058 11.542 6.919 363 2HA GLY 44 1HA GLY 44 -3.582 10.587 6.887 364 H LEU 45 H LEU 45 -3.698 11.087 3.825 365 HA LEU 45 HA LEU 45 -1.854 13.249 3.838 366 1HB LEU 45 2HB LEU 45 -3.160 12.459 1.284 367 2HB LEU 45 1HB LEU 45 -1.473 12.779 1.628 368 HG LEU 45 HG LEU 45 -3.003 10.240 2.189 369 1HD1 LEU 45 1HD1 LEU 45 -0.837 11.051 0.295 370 2HD1 LEU 45 2HD1 LEU 45 -2.345 10.195 -0.030 371 3HD1 LEU 45 3HD1 LEU 45 -1.021 9.369 0.792 372 1HD2 LEU 45 1HD2 LEU 45 -1.527 10.707 4.080 373 2HD2 LEU 45 2HD2 LEU 45 -0.171 10.926 2.972 374 3HD2 LEU 45 3HD2 LEU 45 -0.936 9.344 3.128 375 H LYS 46 H LYS 46 -2.099 15.242 2.559 376 HA LYS 46 HA LYS 46 -4.792 16.327 2.880 377 1HB LYS 46 2HB LYS 46 -2.946 17.424 4.133 378 2HB LYS 46 1HB LYS 46 -2.189 17.825 2.598 379 1HG LYS 46 2HG LYS 46 -4.841 18.751 2.453 380 2HG LYS 46 1HG LYS 46 -4.216 19.233 4.028 381 1HD LYS 46 2HD LYS 46 -2.738 19.701 1.453 382 2HD LYS 46 1HD LYS 46 -3.845 20.874 2.166 383 1HE LYS 46 2HE LYS 46 -2.246 20.242 4.286 384 2HE LYS 46 1HE LYS 46 -1.115 20.149 2.938 385 1HZ LYS 46 1HZ LYS 46 -2.004 22.427 4.226 386 2HZ LYS 46 2HZ LYS 46 -2.734 22.457 2.700 387 3HZ LYS 46 3HZ LYS 46 -1.051 22.347 2.830 388 HA PRO 47 HA PRO 47 -5.448 16.379 -1.510 389 1HB PRO 47 2HB PRO 47 -6.892 18.912 -0.887 390 2HB PRO 47 1HB PRO 47 -7.437 17.503 -1.804 391 1HG PRO 47 2HG PRO 47 -8.309 17.923 0.674 392 2HG PRO 47 1HG PRO 47 -7.934 16.285 0.105 393 1HD PRO 47 2HD PRO 47 -6.375 18.066 1.922 394 2HD PRO 47 1HD PRO 47 -6.559 16.301 1.954 395 H GLY 48 H GLY 48 -4.219 17.147 -3.118 396 1HA GLY 48 2HA GLY 48 -3.283 18.932 -4.403 397 2HA GLY 48 1HA GLY 48 -3.184 19.892 -2.935 398 H VAL 49 H VAL 49 -2.107 17.415 -1.539 399 HA VAL 49 HA VAL 49 0.683 17.877 -2.290 400 HB VAL 49 HB VAL 49 -0.176 16.239 0.073 401 1HG1 VAL 49 1HG1 VAL 49 1.943 16.559 0.851 402 2HG1 VAL 49 2HG1 VAL 49 2.107 18.137 0.079 403 3HG1 VAL 49 3HG1 VAL 49 2.259 16.665 -0.880 404 1HG2 VAL 49 1HG2 VAL 49 -0.575 19.122 -0.333 405 2HG2 VAL 49 2HG2 VAL 49 0.237 18.683 1.169 406 3HG2 VAL 49 3HG2 VAL 49 -1.351 18.015 0.799 407 H VAL 50 H VAL 50 1.704 16.465 -3.542 408 HA VAL 50 HA VAL 50 0.545 13.857 -4.045 409 HB VAL 50 HB VAL 50 3.110 14.945 -5.198 410 1HG1 VAL 50 1HG1 VAL 50 1.871 12.458 -5.395 411 2HG1 VAL 50 2HG1 VAL 50 3.166 13.084 -6.416 412 3HG1 VAL 50 3HG1 VAL 50 1.483 13.282 -6.905 413 1HG2 VAL 50 1HG2 VAL 50 0.934 15.156 -7.025 414 2HG2 VAL 50 2HG2 VAL 50 1.975 16.432 -6.395 415 3HG2 VAL 50 3HG2 VAL 50 0.501 15.991 -5.533 416 H TYR 51 H TYR 51 1.418 11.902 -3.502 417 HA TYR 51 HA TYR 51 3.812 11.957 -1.783 418 1HB TYR 51 2HB TYR 51 1.169 10.613 -1.403 419 2HB TYR 51 1HB TYR 51 2.614 9.817 -0.788 420 HD1 TYR 51 1HD TYR 51 3.305 10.301 1.364 421 HD2 TYR 51 2HD TYR 51 0.931 13.154 -0.716 422 HE1 TYR 51 1HE TYR 51 3.207 11.690 3.391 423 HE2 TYR 51 2HE TYR 51 0.829 14.552 1.304 424 HH TYR 51 HH TYR 51 1.290 13.634 4.200 425 H GLU 52 H GLU 52 4.974 9.893 -1.679 426 HA GLU 52 HA GLU 52 4.650 8.257 -4.097 427 1HB GLU 52 2HB GLU 52 7.014 8.229 -4.491 428 2HB GLU 52 1HB GLU 52 6.518 9.909 -4.350 429 1HG GLU 52 2HG GLU 52 7.830 10.265 -2.590 430 2HG GLU 52 1HG GLU 52 7.353 8.755 -1.814 431 H GLY 53 H GLY 53 4.709 6.103 -3.742 432 1HA GLY 53 2HA GLY 53 5.926 5.129 -1.263 433 2HA GLY 53 1HA GLY 53 4.220 4.813 -1.514 434 H GLN 54 H GLN 54 6.270 2.908 -1.152 435 HA GLN 54 HA GLN 54 5.997 1.412 -3.662 436 1HB GLN 54 2HB GLN 54 8.412 0.718 -2.196 437 2HB GLN 54 1HB GLN 54 8.211 1.093 -3.902 438 1HG GLN 54 2HG GLN 54 8.465 3.413 -3.514 439 2HG GLN 54 1HG GLN 54 8.335 3.202 -1.768 440 1HE2 GLN 54 1HE2 GLN 54 10.305 2.157 -4.521 441 2HE2 GLN 54 2HE2 GLN 54 11.813 2.190 -3.679 442 H LEU 55 H LEU 55 5.227 -0.607 -3.365 443 HA LEU 55 HA LEU 55 4.834 -1.466 -0.593 444 1HB LEU 55 2HB LEU 55 2.860 -1.281 -2.052 445 2HB LEU 55 1HB LEU 55 3.560 -2.463 -3.141 446 HG LEU 55 HG LEU 55 3.584 -3.926 -0.907 447 1HD1 LEU 55 1HD1 LEU 55 1.108 -3.295 -0.040 448 2HD1 LEU 55 2HD1 LEU 55 1.748 -1.687 -0.381 449 3HD1 LEU 55 3HD1 LEU 55 2.594 -2.754 0.741 450 1HD2 LEU 55 1HD2 LEU 55 1.698 -3.545 -3.120 451 2HD2 LEU 55 2HD2 LEU 55 1.032 -4.379 -1.715 452 3HD2 LEU 55 3HD2 LEU 55 2.467 -5.015 -2.518 453 H ILE 56 H ILE 56 6.472 -2.652 0.128 454 HA ILE 56 HA ILE 56 7.828 -4.545 -1.633 455 HB ILE 56 HB ILE 56 8.408 -3.660 1.198 456 1HG1 ILE 56 2HG1 ILE 56 10.601 -2.965 -0.026 457 2HG1 ILE 56 1HG1 ILE 56 9.637 -3.095 -1.493 458 1HG2 ILE 56 1HG2 ILE 56 9.596 -5.857 -0.442 459 2HG2 ILE 56 2HG2 ILE 56 9.155 -5.844 1.265 460 3HG2 ILE 56 3HG2 ILE 56 10.595 -4.982 0.719 461 1HD1 ILE 56 1HD1 ILE 56 9.600 -1.069 0.631 462 2HD1 ILE 56 2HD1 ILE 56 8.020 -1.561 0.024 463 3HD1 ILE 56 3HD1 ILE 56 9.233 -0.927 -1.088 464 H SER 57 H SER 57 7.699 -6.737 -1.417 465 HA SER 57 HA SER 57 5.721 -7.727 0.517 466 1HB SER 57 2HB SER 57 6.551 -9.254 -1.927 467 2HB SER 57 1HB SER 57 5.043 -9.350 -1.012 468 HG SER 57 HG SER 57 4.999 -6.952 -1.809 469 H ILE 58 H ILE 58 6.547 -8.703 2.148 470 HA ILE 58 HA ILE 58 9.175 -9.968 1.986 471 HB ILE 58 HB ILE 58 7.443 -9.345 4.380 472 1HG1 ILE 58 2HG1 ILE 58 10.094 -8.111 4.136 473 2HG1 ILE 58 1HG1 ILE 58 8.974 -7.635 2.864 474 1HG2 ILE 58 1HG2 ILE 58 9.648 -11.156 4.096 475 2HG2 ILE 58 2HG2 ILE 58 8.661 -10.809 5.516 476 3HG2 ILE 58 3HG2 ILE 58 10.089 -9.831 5.174 477 1HD1 ILE 58 1HD1 ILE 58 9.120 -6.272 5.073 478 2HD1 ILE 58 2HD1 ILE 58 8.080 -7.550 5.703 479 3HD1 ILE 58 3HD1 ILE 58 7.554 -6.582 4.325 480 H GLN 59 H GLN 59 9.259 -12.039 1.491 481 HA GLN 59 HA GLN 59 7.029 -13.809 2.153 482 1HB GLN 59 2HB GLN 59 8.905 -13.617 -0.011 483 2HB GLN 59 1HB GLN 59 9.060 -15.193 0.748 484 1HG GLN 59 2HG GLN 59 6.581 -13.973 -0.431 485 2HG GLN 59 1HG GLN 59 7.487 -15.358 -1.038 486 1HE2 GLN 59 1HE2 GLN 59 7.680 -17.190 0.560 487 2HE2 GLN 59 2HE2 GLN 59 6.258 -17.592 1.456 488 H GLN 60 H GLN 60 8.083 -16.218 2.480 489 HA GLN 60 HA GLN 60 9.110 -16.199 5.097 490 1HB GLN 60 2HB GLN 60 9.541 -18.649 4.675 491 2HB GLN 60 1HB GLN 60 7.890 -18.117 4.384 492 1HG GLN 60 2HG GLN 60 8.151 -18.225 2.057 493 2HG GLN 60 1HG GLN 60 9.908 -18.324 2.175 494 1HE2 GLN 60 1HE2 GLN 60 8.597 -20.119 0.646 495 2HE2 GLN 60 2HE2 GLN 60 8.619 -21.679 1.388 496 H TYR 61 H TYR 61 10.638 -15.954 2.033 497 HA TYR 61 HA TYR 61 13.278 -16.525 3.186 498 1HB TYR 61 2HB TYR 61 12.311 -16.314 0.334 499 2HB TYR 61 1HB TYR 61 14.020 -16.381 0.753 500 HD1 TYR 61 1HD TYR 61 11.697 -18.311 -0.639 501 HD2 TYR 61 2HD TYR 61 14.204 -18.399 2.798 502 HE1 TYR 61 1HE TYR 61 11.583 -20.766 -0.625 503 HE2 TYR 61 2HE TYR 61 14.096 -20.854 2.821 504 HH TYR 61 HH TYR 61 11.930 -22.619 0.742 505 H GLY 62 H GLY 62 11.405 -14.015 3.236 506 1HA GLY 62 2HA GLY 62 12.215 -11.854 3.852 507 2HA GLY 62 1HA GLY 62 13.611 -12.119 2.817 508 H HIS 63 H HIS 63 12.451 -9.758 2.528 509 HA HIS 63 HA HIS 63 10.262 -9.472 0.853 510 1HB HIS 63 2HB HIS 63 11.219 -7.296 0.220 511 2HB HIS 63 1HB HIS 63 11.329 -7.573 1.955 512 HD2 HIS 63 2HD HIS 63 14.045 -8.637 2.650 513 HE1 HIS 63 1HE HIS 63 15.728 -6.256 -0.418 514 HE2 HIS 63 2HE HIS 63 16.188 -7.482 1.754 515 H GLN 64 H GLN 64 10.011 -9.272 -1.412 516 HA GLN 64 HA GLN 64 12.208 -9.718 -3.191 517 1HB GLN 64 2HB GLN 64 10.934 -11.888 -4.062 518 2HB GLN 64 1HB GLN 64 12.201 -11.966 -2.845 519 1HG GLN 64 2HG GLN 64 10.530 -12.019 -1.081 520 2HG GLN 64 1HG GLN 64 9.240 -11.889 -2.277 521 1HE2 GLN 64 1HE2 GLN 64 11.829 -13.932 -1.078 522 2HE2 GLN 64 2HE2 GLN 64 11.186 -15.421 -1.674 523 H GLU 65 H GLU 65 9.055 -8.738 -2.573 524 HA GLU 65 HA GLU 65 8.609 -8.313 -5.456 525 1HB GLU 65 2HB GLU 65 7.117 -9.996 -3.794 526 2HB GLU 65 1HB GLU 65 6.139 -8.547 -3.957 527 1HG GLU 65 2HG GLU 65 6.190 -8.743 -6.373 528 2HG GLU 65 1HG GLU 65 7.258 -10.141 -6.258 529 H VAL 66 H VAL 66 8.701 -6.158 -5.793 530 HA VAL 66 HA VAL 66 7.120 -4.484 -3.998 531 HB VAL 66 HB VAL 66 9.246 -4.120 -3.112 532 1HG1 VAL 66 1HG1 VAL 66 10.409 -3.507 -5.801 533 2HG1 VAL 66 2HG1 VAL 66 10.429 -5.128 -5.103 534 3HG1 VAL 66 3HG1 VAL 66 11.242 -3.801 -4.272 535 1HG2 VAL 66 1HG2 VAL 66 7.801 -2.083 -3.978 536 2HG2 VAL 66 2HG2 VAL 66 9.234 -1.801 -4.969 537 3HG2 VAL 66 3HG2 VAL 66 9.371 -1.843 -3.210 538 H THR 67 H THR 67 6.087 -2.779 -4.888 539 HA THR 67 HA THR 67 6.517 -2.241 -7.746 540 HB THR 67 HB THR 67 3.797 -2.499 -6.448 541 HG1 THR 67 1HG THR 67 3.939 -4.294 -8.262 542 1HG2 THR 67 1HG2 THR 67 4.385 -0.964 -8.565 543 2HG2 THR 67 2HG2 THR 67 2.860 -1.835 -8.410 544 3HG2 THR 67 3HG2 THR 67 4.164 -2.509 -9.387 545 H ARG 68 H ARG 68 6.893 -0.143 -8.075 546 HA ARG 68 HA ARG 68 6.381 1.773 -5.969 547 1HB ARG 68 2HB ARG 68 7.459 2.489 -8.673 548 2HB ARG 68 1HB ARG 68 7.817 3.210 -7.110 549 1HG ARG 68 2HG ARG 68 9.646 1.971 -7.015 550 2HG ARG 68 1HG ARG 68 8.626 0.537 -6.920 551 1HD ARG 68 2HD ARG 68 9.770 1.821 -9.392 552 2HD ARG 68 1HD ARG 68 10.154 0.234 -8.729 553 HE ARG 68 HE ARG 68 7.399 0.384 -9.311 554 1HH1 ARG 68 1HH1 ARG 68 10.497 0.176 -10.893 555 2HH1 ARG 68 2HH1 ARG 68 9.872 -0.635 -12.290 556 1HH2 ARG 68 1HH2 ARG 68 6.569 -0.685 -11.144 557 2HH2 ARG 68 2HH2 ARG 68 7.640 -1.125 -12.433 558 H PHE 69 H PHE 69 4.985 3.491 -6.023 559 HA PHE 69 HA PHE 69 3.438 4.085 -8.387 560 1HB PHE 69 2HB PHE 69 1.268 3.785 -6.979 561 2HB PHE 69 1HB PHE 69 1.993 2.381 -7.755 562 HD1 PHE 69 1HD PHE 69 2.227 0.474 -6.504 563 HD2 PHE 69 2HD PHE 69 2.177 4.239 -4.520 564 HE1 PHE 69 1HE PHE 69 2.326 -0.674 -4.330 565 HE2 PHE 69 2HE PHE 69 2.277 3.097 -2.342 566 HZ PHE 69 HZ PHE 69 2.354 0.639 -2.246 567 H ASP 70 H ASP 70 2.057 5.948 -8.134 568 HA ASP 70 HA ASP 70 2.887 7.693 -5.904 569 1HB ASP 70 2HB ASP 70 1.811 8.988 -8.326 570 2HB ASP 70 1HB ASP 70 3.198 9.429 -7.335 571 H PHE 71 H PHE 71 1.291 8.462 -4.615 572 HA PHE 71 HA PHE 71 -1.420 8.663 -5.636 573 1HB PHE 71 2HB PHE 71 -2.417 7.077 -4.286 574 2HB PHE 71 1HB PHE 71 -0.902 6.280 -4.702 575 HD1 PHE 71 1HD PHE 71 -3.036 7.264 -2.072 576 HD2 PHE 71 2HD PHE 71 1.061 6.624 -3.028 577 HE1 PHE 71 1HE PHE 71 -2.521 7.024 0.321 578 HE2 PHE 71 2HE PHE 71 1.583 6.378 -0.637 579 HZ PHE 71 HZ PHE 71 -0.207 6.579 1.042 580 H THR 72 H THR 72 -2.932 9.578 -4.057 581 HA THR 72 HA THR 72 -1.726 11.077 -1.864 582 HB THR 72 HB THR 72 -2.589 13.180 -2.512 583 HG1 THR 72 1HG THR 72 -3.947 11.844 -4.635 584 1HG2 THR 72 1HG2 THR 72 -1.769 12.223 -5.219 585 2HG2 THR 72 2HG2 THR 72 -0.608 12.157 -3.893 586 3HG2 THR 72 3HG2 THR 72 -1.321 13.700 -4.365 587 H THR 73 H THR 73 -3.500 12.126 -0.518 588 HA THR 73 HA THR 73 -5.223 10.318 0.539 589 HB THR 73 HB THR 73 -5.070 12.252 1.798 590 HG1 THR 73 1HG THR 73 -7.151 12.168 2.154 591 1HG2 THR 73 1HG2 THR 73 -5.928 14.482 0.587 592 2HG2 THR 73 2HG2 THR 73 -5.302 13.616 -0.817 593 3HG2 THR 73 3HG2 THR 73 -4.244 13.959 0.552 594 H THR 74 H THR 74 -6.273 12.830 -1.772 595 HA THR 74 HA THR 74 -7.783 11.114 -3.391 596 HB THR 74 HB THR 74 -9.380 10.762 -1.707 597 HG1 THR 74 1HG THR 74 -10.604 13.009 -2.863 598 1HG2 THR 74 1HG2 THR 74 -10.058 13.516 -1.025 599 2HG2 THR 74 2HG2 THR 74 -8.415 13.074 -0.565 600 3HG2 THR 74 3HG2 THR 74 -9.780 12.127 0.025 601 H SER 75 H SER 75 -6.664 12.441 -4.883 602 HA SER 75 HA SER 75 -8.176 14.732 -5.721 603 1HB SER 75 2HB SER 75 -6.791 15.852 -4.084 604 2HB SER 75 1HB SER 75 -5.336 15.104 -4.742 605 HG SER 75 HG SER 75 -6.976 17.095 -5.893 606 H THR 76 H THR 76 -5.037 13.086 -6.091 607 HA THR 76 HA THR 76 -5.501 13.081 -9.001 608 HB THR 76 HB THR 76 -3.690 14.689 -8.225 609 HG1 THR 76 1HG THR 76 -2.360 12.907 -9.853 610 1HG2 THR 76 1HG2 THR 76 -2.687 12.205 -7.077 611 2HG2 THR 76 2HG2 THR 76 -2.232 13.875 -6.734 612 3HG2 THR 76 3HG2 THR 76 -1.494 13.021 -8.089 613 H SER 77 H SER 77 -3.325 11.558 -9.754 614 HA SER 77 HA SER 77 -2.585 9.428 -9.998 615 1HB SER 77 2HB SER 77 -1.654 9.061 -7.962 616 2HB SER 77 1HB SER 77 -3.080 9.632 -7.095 617 HG SER 77 HG SER 77 -2.338 7.162 -7.390 618 H THR 78 H THR 78 -3.320 7.290 -10.433 619 HA THR 78 HA THR 78 -5.974 6.449 -9.844 620 HB THR 78 HB THR 78 -6.226 6.395 -12.602 621 HG1 THR 78 1HG THR 78 -4.473 8.097 -12.449 622 1HG2 THR 78 1HG2 THR 78 -7.461 8.655 -11.113 623 2HG2 THR 78 2HG2 THR 78 -7.808 7.014 -10.564 624 3HG2 THR 78 3HG2 THR 78 -8.196 7.492 -12.217 625 HA PRO 79 HA PRO 79 -3.928 2.657 -10.855 626 1HB PRO 79 2HB PRO 79 -6.016 0.967 -10.814 627 2HB PRO 79 1HB PRO 79 -5.407 1.736 -9.343 628 1HG PRO 79 2HG PRO 79 -7.766 2.483 -11.031 629 2HG PRO 79 1HG PRO 79 -7.638 2.398 -9.265 630 1HD PRO 79 2HD PRO 79 -7.456 4.730 -10.671 631 2HD PRO 79 1HD PRO 79 -6.652 4.464 -9.111 632 H GLY 80 H GLY 80 -3.329 3.304 -13.019 633 1HA GLY 80 2HA GLY 80 -5.179 2.500 -15.149 634 2HA GLY 80 1HA GLY 80 -3.726 3.464 -15.358 635 H SER 81 H SER 81 -2.305 2.413 -16.564 636 HA SER 81 HA SER 81 -1.800 -0.424 -15.975 637 1HB SER 81 2HB SER 81 -2.908 -0.683 -17.994 638 2HB SER 81 1HB SER 81 -2.361 0.874 -18.614 639 HG SER 81 HG SER 81 -0.658 -0.062 -19.415 640 H ARG 82 H ARG 82 0.182 -0.550 -15.176 641 HA ARG 82 HA ARG 82 2.225 1.347 -16.061 642 1HB ARG 82 2HB ARG 82 1.612 0.637 -13.570 643 2HB ARG 82 1HB ARG 82 2.756 -0.653 -13.917 644 1HG ARG 82 2HG ARG 82 4.517 0.716 -13.787 645 2HG ARG 82 1HG ARG 82 3.703 2.005 -14.676 646 1HD ARG 82 2HD ARG 82 2.781 1.425 -11.914 647 2HD ARG 82 1HD ARG 82 4.334 2.238 -12.108 648 HE ARG 82 HE ARG 82 1.737 3.356 -12.546 649 1HH1 ARG 82 1HH1 ARG 82 5.084 3.524 -13.497 650 2HH1 ARG 82 2HH1 ARG 82 4.993 5.180 -13.996 651 1HH2 ARG 82 1HH2 ARG 82 1.606 5.535 -13.208 652 2HH2 ARG 82 2HH2 ARG 82 3.016 6.323 -13.831 653 H SER 83 H SER 83 2.456 -2.054 -15.049 654 HA SER 83 HA SER 83 4.080 -2.560 -17.454 655 1HB SER 83 2HB SER 83 5.679 -3.468 -16.169 656 2HB SER 83 1HB SER 83 4.804 -2.857 -14.765 657 HG SER 83 HG SER 83 4.481 -5.397 -15.990 658 H HIS 84 H HIS 84 1.191 -3.221 -15.950 659 HA HIS 84 HA HIS 84 -0.507 -4.667 -16.362 660 1HB HIS 84 2HB HIS 84 0.876 -4.436 -18.807 661 2HB HIS 84 1HB HIS 84 0.528 -6.150 -18.601 662 HD2 HIS 84 2HD HIS 84 -2.358 -6.509 -17.867 663 HE1 HIS 84 1HE HIS 84 -3.356 -3.262 -20.391 664 HE2 HIS 84 2HE HIS 84 -4.271 -5.179 -19.006 665 H HIS 85 H HIS 85 -1.145 -6.894 -16.180 666 HA HIS 85 HA HIS 85 0.918 -8.873 -15.699 667 1HB HIS 85 2HB HIS 85 -0.198 -9.389 -13.417 668 2HB HIS 85 1HB HIS 85 0.957 -8.065 -13.512 669 HD2 HIS 85 2HD HIS 85 -0.421 -7.071 -11.212 670 HE1 HIS 85 1HE HIS 85 -3.726 -5.753 -13.503 671 HE2 HIS 85 2HE HIS 85 -2.485 -5.503 -11.307 672 H HIS 86 H HIS 86 0.134 -10.345 -17.085 673 HA HIS 86 HA HIS 86 -2.452 -11.538 -16.474 674 1HB HIS 86 2HB HIS 86 -3.173 -11.505 -18.824 675 2HB HIS 86 1HB HIS 86 -2.988 -9.874 -18.188 676 HD2 HIS 86 2HD HIS 86 -1.158 -8.293 -19.454 677 HE1 HIS 86 1HE HIS 86 0.149 -11.244 -22.193 678 HE2 HIS 86 2HE HIS 86 0.398 -8.829 -21.460 679 H HIS 87 H HIS 87 -2.714 -13.666 -17.347 680 HA HIS 87 HA HIS 87 -0.422 -14.889 -18.649 681 1HB HIS 87 2HB HIS 87 -0.898 -15.121 -15.815 682 2HB HIS 87 1HB HIS 87 -1.051 -16.697 -16.585 683 HD2 HIS 87 2HD HIS 87 1.648 -13.842 -16.307 684 HE1 HIS 87 1HE HIS 87 3.529 -17.558 -17.056 685 HE2 HIS 87 2HE HIS 87 3.894 -15.072 -16.720 686 H HIS 88 H HIS 88 -0.871 -16.969 -19.540 687 HA HIS 88 HA HIS 88 -3.734 -17.655 -19.628 688 1HB HIS 88 2HB HIS 88 -2.705 -16.473 -21.710 689 2HB HIS 88 1HB HIS 88 -1.950 -18.034 -22.015 690 HD2 HIS 88 2HD HIS 88 -4.672 -19.800 -21.135 691 HE1 HIS 88 1HE HIS 88 -6.308 -17.746 -24.453 692 HE2 HIS 88 2HE HIS 88 -6.484 -19.810 -22.992 693 H HIS 89 H HIS 89 -3.907 -19.523 -18.573 694 HA HIS 89 HA HIS 89 -2.370 -21.804 -19.505 695 1HB HIS 89 2HB HIS 89 -1.343 -20.527 -17.363 696 2HB HIS 89 1HB HIS 89 -2.480 -21.599 -16.549 697 HD2 HIS 89 2HD HIS 89 0.225 -22.207 -19.378 698 HE1 HIS 89 1HE HIS 89 0.398 -25.277 -16.470 699 HE2 HIS 89 2HE HIS 89 1.268 -24.488 -18.718 Start of MODEL 27 1 1H MET 1 1HT MET 1 13.881 -27.871 11.006 2 2H MET 1 2HT MET 1 15.149 -28.276 12.049 3 3H MET 1 3HT MET 1 13.553 -28.636 12.479 4 HA MET 1 HA MET 1 14.752 -29.761 10.036 5 1HB MET 1 2HB MET 1 15.021 -31.815 11.708 6 2HB MET 1 1HB MET 1 16.302 -30.633 11.475 7 1HG MET 1 2HG MET 1 14.489 -29.771 13.533 8 2HG MET 1 1HG MET 1 15.102 -31.390 13.872 9 1HE MET 1 1HE MET 1 15.910 -28.627 15.774 10 2HE MET 1 2HE MET 1 15.436 -27.875 14.250 11 3HE MET 1 3HE MET 1 17.055 -27.613 14.897 12 H ARG 2 H ARG 2 12.352 -29.683 12.572 13 HA ARG 2 HA ARG 2 10.664 -31.480 10.958 14 1HB ARG 2 2HB ARG 2 9.588 -31.611 13.488 15 2HB ARG 2 1HB ARG 2 10.636 -32.818 12.758 16 1HG ARG 2 2HG ARG 2 12.266 -32.407 14.209 17 2HG ARG 2 1HG ARG 2 12.157 -30.665 13.950 18 1HD ARG 2 2HD ARG 2 11.657 -30.995 16.227 19 2HD ARG 2 1HD ARG 2 10.106 -30.715 15.438 20 HE ARG 2 HE ARG 2 9.808 -33.175 15.501 21 1HH1 ARG 2 1HH1 ARG 2 12.033 -31.646 17.708 22 2HH1 ARG 2 2HH1 ARG 2 11.922 -32.905 18.893 23 1HH2 ARG 2 1HH2 ARG 2 9.661 -34.837 17.055 24 2HH2 ARG 2 2HH2 ARG 2 10.576 -34.718 18.521 25 H GLY 3 H GLY 3 8.481 -30.955 10.747 26 1HA GLY 3 2HA GLY 3 6.698 -29.430 11.761 27 2HA GLY 3 1HA GLY 3 7.860 -28.155 11.430 28 H SER 4 H SER 4 5.076 -28.839 10.413 29 HA SER 4 HA SER 4 5.710 -28.435 7.575 30 1HB SER 4 2HB SER 4 3.328 -30.090 8.352 31 2HB SER 4 1HB SER 4 4.192 -30.039 6.816 32 HG SER 4 HG SER 4 5.541 -30.915 9.111 33 H ASN 5 H ASN 5 4.917 -26.669 9.815 34 HA ASN 5 HA ASN 5 2.193 -25.906 9.364 35 1HB ASN 5 2HB ASN 5 4.461 -24.564 10.844 36 2HB ASN 5 1HB ASN 5 2.825 -23.915 10.776 37 1HD2 ASN 5 1HD2 ASN 5 1.400 -24.587 12.230 38 2HD2 ASN 5 2HD2 ASN 5 1.620 -25.919 13.308 39 H ALA 6 H ALA 6 2.191 -23.191 9.204 40 HA ALA 6 HA ALA 6 3.811 -22.288 6.996 41 1HB ALA 6 1HB ALA 6 1.313 -23.524 6.451 42 2HB ALA 6 2HB ALA 6 2.430 -22.752 5.325 43 3HB ALA 6 3HB ALA 6 1.163 -21.802 6.102 44 HA PRO 7 HA PRO 7 2.729 -18.803 9.703 45 1HB PRO 7 2HB PRO 7 4.863 -17.280 9.045 46 2HB PRO 7 1HB PRO 7 4.975 -18.624 10.189 47 1HG PRO 7 2HG PRO 7 5.703 -18.544 7.284 48 2HG PRO 7 1HG PRO 7 6.599 -19.251 8.641 49 1HD PRO 7 2HD PRO 7 5.085 -20.741 6.961 50 2HD PRO 7 1HD PRO 7 5.301 -21.155 8.674 51 H GLN 8 H GLN 8 2.502 -19.233 6.458 52 HA GLN 8 HA GLN 8 1.936 -16.410 5.878 53 1HB GLN 8 2HB GLN 8 1.847 -18.449 3.721 54 2HB GLN 8 1HB GLN 8 2.442 -16.796 3.681 55 1HG GLN 8 2HG GLN 8 4.516 -17.525 3.871 56 2HG GLN 8 1HG GLN 8 4.122 -18.294 5.408 57 1HE2 GLN 8 1HE2 GLN 8 3.967 -18.778 1.912 58 2HE2 GLN 8 2HE2 GLN 8 4.177 -20.492 1.961 59 HA PRO 9 HA PRO 9 -2.356 -17.736 6.181 60 1HB PRO 9 2HB PRO 9 -3.112 -14.965 6.137 61 2HB PRO 9 1HB PRO 9 -3.099 -16.070 7.512 62 1HG PRO 9 2HG PRO 9 -1.417 -13.907 7.235 63 2HG PRO 9 1HG PRO 9 -1.075 -15.322 8.244 64 1HD PRO 9 2HD PRO 9 -0.072 -14.654 5.506 65 2HD PRO 9 1HD PRO 9 0.781 -15.411 6.869 66 H SER 10 H SER 10 -0.944 -15.522 3.874 67 HA SER 10 HA SER 10 -2.805 -16.457 1.843 68 1HB SER 10 2HB SER 10 -2.364 -13.503 1.923 69 2HB SER 10 1HB SER 10 -3.721 -14.418 1.266 70 HG SER 10 HG SER 10 -3.902 -13.180 3.399 71 H HIS 11 H HIS 11 -1.009 -17.493 0.941 72 HA HIS 11 HA HIS 11 0.776 -17.737 -0.438 73 1HB HIS 11 2HB HIS 11 -0.371 -15.119 -1.221 74 2HB HIS 11 1HB HIS 11 1.266 -15.454 -1.781 75 HD2 HIS 11 2HD HIS 11 1.480 -17.808 -3.410 76 HE1 HIS 11 1HE HIS 11 -2.637 -17.732 -4.383 77 HE2 HIS 11 2HE HIS 11 -0.407 -18.841 -4.858 78 H ILE 12 H ILE 12 1.431 -14.301 0.008 79 HA ILE 12 HA ILE 12 4.095 -14.881 0.910 80 HB ILE 12 HB ILE 12 3.684 -12.960 -0.543 81 1HG1 ILE 12 2HG1 ILE 12 4.467 -11.497 1.878 82 2HG1 ILE 12 1HG1 ILE 12 5.330 -13.016 1.655 83 1HG2 ILE 12 1HG2 ILE 12 1.664 -12.012 -0.132 84 2HG2 ILE 12 2HG2 ILE 12 2.665 -10.917 0.824 85 3HG2 ILE 12 3HG2 ILE 12 1.792 -12.232 1.614 86 1HD1 ILE 12 1HD1 ILE 12 5.404 -11.863 -0.840 87 2HD1 ILE 12 2HD1 ILE 12 6.703 -11.862 0.354 88 3HD1 ILE 12 3HD1 ILE 12 5.591 -10.496 0.257 89 H SER 13 H SER 13 5.017 -14.292 2.908 90 HA SER 13 HA SER 13 3.531 -14.911 5.178 91 1HB SER 13 2HB SER 13 6.179 -14.589 4.673 92 2HB SER 13 1HB SER 13 5.850 -13.125 5.601 93 HG SER 13 HG SER 13 6.289 -14.614 7.120 94 H LYS 14 H LYS 14 4.555 -11.724 3.962 95 HA LYS 14 HA LYS 14 2.173 -10.478 4.905 96 1HB LYS 14 2HB LYS 14 3.527 -8.840 6.403 97 2HB LYS 14 1HB LYS 14 3.024 -10.391 7.058 98 1HG LYS 14 2HG LYS 14 5.138 -10.677 7.663 99 2HG LYS 14 1HG LYS 14 5.493 -10.930 5.953 100 1HD LYS 14 2HD LYS 14 6.413 -8.865 5.696 101 2HD LYS 14 1HD LYS 14 5.352 -8.126 6.896 102 1HE LYS 14 2HE LYS 14 7.617 -8.132 7.723 103 2HE LYS 14 1HE LYS 14 6.640 -9.244 8.679 104 1HZ LYS 14 1HZ LYS 14 7.711 -10.709 6.579 105 2HZ LYS 14 2HZ LYS 14 8.111 -10.813 8.220 106 3HZ LYS 14 3HZ LYS 14 8.980 -9.778 7.202 107 H TYR 15 H TYR 15 1.881 -8.423 4.069 108 HA TYR 15 HA TYR 15 3.845 -7.629 2.039 109 1HB TYR 15 2HB TYR 15 0.956 -7.710 2.137 110 2HB TYR 15 1HB TYR 15 1.512 -6.087 1.742 111 HD1 TYR 15 1HD TYR 15 0.810 -9.326 0.467 112 HD2 TYR 15 2HD TYR 15 3.237 -5.892 -0.177 113 HE1 TYR 15 1HE TYR 15 1.156 -10.015 -1.868 114 HE2 TYR 15 2HE TYR 15 3.589 -6.572 -2.513 115 HH TYR 15 HH TYR 15 2.306 -9.629 -3.752 116 H ILE 16 H ILE 16 4.705 -5.576 1.982 117 HA ILE 16 HA ILE 16 4.164 -3.897 4.331 118 HB ILE 16 HB ILE 16 6.631 -4.888 3.196 119 1HG1 ILE 16 2HG1 ILE 16 5.765 -4.885 5.600 120 2HG1 ILE 16 1HG1 ILE 16 7.459 -4.481 5.358 121 1HG2 ILE 16 1HG2 ILE 16 7.964 -2.870 3.301 122 2HG2 ILE 16 2HG2 ILE 16 6.518 -1.908 3.610 123 3HG2 ILE 16 3HG2 ILE 16 6.717 -2.733 2.062 124 1HD1 ILE 16 1HD1 ILE 16 6.350 -2.017 5.298 125 2HD1 ILE 16 2HD1 ILE 16 6.980 -2.789 6.752 126 3HD1 ILE 16 3HD1 ILE 16 5.254 -2.850 6.399 127 H LEU 17 H LEU 17 3.872 -1.724 4.079 128 HA LEU 17 HA LEU 17 3.841 -0.683 1.326 129 1HB LEU 17 2HB LEU 17 1.579 -1.196 2.675 130 2HB LEU 17 1HB LEU 17 1.907 0.412 3.291 131 HG LEU 17 HG LEU 17 2.115 0.214 0.374 132 1HD1 LEU 17 1HD1 LEU 17 -0.678 0.178 1.379 133 2HD1 LEU 17 2HD1 LEU 17 0.168 -1.361 1.234 134 3HD1 LEU 17 3HD1 LEU 17 -0.028 -0.327 -0.181 135 1HD2 LEU 17 1HD2 LEU 17 0.439 2.009 2.122 136 2HD2 LEU 17 2HD2 LEU 17 0.953 2.295 0.459 137 3HD2 LEU 17 3HD2 LEU 17 2.141 2.300 1.763 138 H ARG 18 H ARG 18 5.310 0.868 1.149 139 HA ARG 18 HA ARG 18 5.741 2.643 3.457 140 1HB ARG 18 2HB ARG 18 7.999 2.646 1.682 141 2HB ARG 18 1HB ARG 18 7.935 2.239 3.391 142 1HG ARG 18 2HG ARG 18 6.864 0.017 2.138 143 2HG ARG 18 1HG ARG 18 8.188 0.516 1.083 144 1HD ARG 18 2HD ARG 18 8.642 0.399 4.026 145 2HD ARG 18 1HD ARG 18 8.603 -1.106 3.105 146 HE ARG 18 HE ARG 18 10.335 0.902 1.986 147 1HH1 ARG 18 1HH1 ARG 18 10.075 -1.715 4.270 148 2HH1 ARG 18 2HH1 ARG 18 11.775 -2.050 4.276 149 1HH2 ARG 18 1HH2 ARG 18 12.576 0.468 1.986 150 2HH2 ARG 18 2HH2 ARG 18 13.196 -0.811 2.977 151 H TRP 19 H TRP 19 5.746 4.814 3.119 152 HA TRP 19 HA TRP 19 5.950 5.899 0.456 153 1HB TRP 19 2HB TRP 19 3.770 6.869 0.305 154 2HB TRP 19 1HB TRP 19 3.559 5.153 0.634 155 HD1 TRP 19 HD TRP 19 2.668 8.543 1.941 156 HE1 TRP 19 1HE TRP 19 1.297 8.314 4.107 157 HE3 TRP 19 3HE TRP 19 3.390 3.560 2.839 158 HZ2 TRP 19 2HZ TRP 19 0.614 6.294 5.951 159 HZ3 TRP 19 3HZ TRP 19 2.342 2.558 4.828 160 HH2 TRP 19 HH TRP 19 0.983 3.899 6.351 161 H ARG 20 H ARG 20 5.919 8.247 0.419 162 HA ARG 20 HA ARG 20 6.034 9.696 2.907 163 1HB ARG 20 2HB ARG 20 8.326 10.334 2.837 164 2HB ARG 20 1HB ARG 20 8.298 8.583 2.683 165 1HG ARG 20 2HG ARG 20 9.097 8.616 0.567 166 2HG ARG 20 1HG ARG 20 8.279 10.128 0.165 167 1HD ARG 20 2HD ARG 20 10.276 10.562 2.190 168 2HD ARG 20 1HD ARG 20 10.983 9.759 0.790 169 HE ARG 20 HE ARG 20 9.479 12.291 0.623 170 1HH1 ARG 20 1HH1 ARG 20 12.109 10.216 -0.345 171 2HH1 ARG 20 2HH1 ARG 20 12.760 11.355 -1.476 172 1HH2 ARG 20 1HH2 ARG 20 10.332 13.795 -0.865 173 2HH2 ARG 20 2HH2 ARG 20 11.751 13.388 -1.769 174 HA PRO 21 HA PRO 21 4.790 13.086 0.369 175 1HB PRO 21 2HB PRO 21 6.817 14.800 1.681 176 2HB PRO 21 1HB PRO 21 5.064 14.996 1.595 177 1HG PRO 21 2HG PRO 21 6.275 14.240 3.856 178 2HG PRO 21 1HG PRO 21 4.687 13.602 3.397 179 1HD PRO 21 2HD PRO 21 7.373 12.305 3.239 180 2HD PRO 21 1HD PRO 21 5.797 11.593 3.640 181 H LYS 22 H LYS 22 5.404 12.900 -1.709 182 HA LYS 22 HA LYS 22 8.102 12.782 -2.577 183 1HB LYS 22 2HB LYS 22 5.818 12.029 -3.711 184 2HB LYS 22 1HB LYS 22 5.938 13.620 -4.448 185 1HG LYS 22 2HG LYS 22 8.306 11.823 -4.538 186 2HG LYS 22 1HG LYS 22 6.946 11.503 -5.616 187 1HD LYS 22 2HD LYS 22 7.917 14.298 -5.465 188 2HD LYS 22 1HD LYS 22 8.965 13.128 -6.270 189 1HE LYS 22 2HE LYS 22 7.693 13.195 -8.089 190 2HE LYS 22 1HE LYS 22 6.278 12.731 -7.147 191 1HZ LYS 22 1HZ LYS 22 6.740 15.398 -6.587 192 2HZ LYS 22 2HZ LYS 22 5.484 14.750 -7.516 193 3HZ LYS 22 3HZ LYS 22 6.918 15.248 -8.263 194 H ASN 23 H ASN 23 5.842 15.371 -2.055 195 HA ASN 23 HA ASN 23 7.636 17.291 -3.352 196 1HB ASN 23 2HB ASN 23 4.810 17.599 -2.321 197 2HB ASN 23 1HB ASN 23 5.751 18.894 -3.056 198 1HD2 ASN 23 1HD2 ASN 23 3.697 18.754 -4.410 199 2HD2 ASN 23 2HD2 ASN 23 3.782 17.756 -5.817 200 H SER 24 H SER 24 6.227 16.480 -0.230 201 HA SER 24 HA SER 24 7.752 18.656 1.018 202 1HB SER 24 2HB SER 24 5.145 17.615 1.464 203 2HB SER 24 1HB SER 24 6.108 17.298 2.907 204 HG SER 24 HG SER 24 5.038 19.596 2.119 205 H VAL 25 H VAL 25 7.986 17.727 3.576 206 HA VAL 25 HA VAL 25 9.671 15.324 3.316 207 HB VAL 25 HB VAL 25 11.049 17.383 3.473 208 1HG1 VAL 25 1HG1 VAL 25 10.903 18.076 6.150 209 2HG1 VAL 25 2HG1 VAL 25 9.218 17.939 5.647 210 3HG1 VAL 25 3HG1 VAL 25 10.309 19.022 4.784 211 1HG2 VAL 25 1HG2 VAL 25 11.470 15.991 6.066 212 2HG2 VAL 25 2HG2 VAL 25 12.629 16.407 4.802 213 3HG2 VAL 25 3HG2 VAL 25 11.541 15.036 4.585 214 H GLY 26 H GLY 26 9.908 14.049 5.239 215 1HA GLY 26 2HA GLY 26 8.933 14.378 7.733 216 2HA GLY 26 1HA GLY 26 7.482 14.002 6.817 217 H ARG 27 H ARG 27 10.497 12.623 5.833 218 HA ARG 27 HA ARG 27 11.274 10.487 5.772 219 1HB ARG 27 2HB ARG 27 9.835 10.406 8.423 220 2HB ARG 27 1HB ARG 27 10.788 9.060 7.811 221 1HG ARG 27 2HG ARG 27 12.734 10.654 7.663 222 2HG ARG 27 1HG ARG 27 11.744 11.808 8.561 223 1HD ARG 27 2HD ARG 27 12.153 9.028 9.593 224 2HD ARG 27 1HD ARG 27 13.386 10.264 9.844 225 HE ARG 27 HE ARG 27 10.882 11.271 10.633 226 1HH1 ARG 27 1HH1 ARG 27 13.274 8.936 11.620 227 2HH1 ARG 27 2HH1 ARG 27 12.883 9.058 13.303 228 1HH2 ARG 27 1HH2 ARG 27 10.366 11.442 12.843 229 2HH2 ARG 27 2HH2 ARG 27 11.230 10.482 13.999 230 H TRP 28 H TRP 28 10.501 8.091 5.929 231 HA TRP 28 HA TRP 28 8.121 7.928 4.287 232 1HB TRP 28 2HB TRP 28 10.087 5.806 5.172 233 2HB TRP 28 1HB TRP 28 8.756 5.534 4.054 234 HD1 TRP 28 HD TRP 28 12.033 7.572 4.284 235 HE1 TRP 28 1HE TRP 28 12.911 7.940 1.892 236 HE3 TRP 28 3HE TRP 28 8.154 5.510 1.671 237 HZ2 TRP 28 2HZ TRP 28 12.069 7.421 -0.754 238 HZ3 TRP 28 3HZ TRP 28 8.266 5.484 -0.787 239 HH2 TRP 28 HH TRP 28 10.184 6.420 -1.974 240 H LYS 29 H LYS 29 7.031 5.552 4.806 241 HA LYS 29 HA LYS 29 6.367 5.332 7.628 242 1HB LYS 29 2HB LYS 29 4.523 6.377 5.538 243 2HB LYS 29 1HB LYS 29 3.853 5.232 6.692 244 1HG LYS 29 2HG LYS 29 4.066 6.668 8.455 245 2HG LYS 29 1HG LYS 29 5.425 7.529 7.731 246 1HD LYS 29 2HD LYS 29 4.086 8.938 6.566 247 2HD LYS 29 1HD LYS 29 2.846 7.711 6.301 248 1HE LYS 29 2HE LYS 29 2.602 8.014 8.950 249 2HE LYS 29 1HE LYS 29 3.190 9.623 8.534 250 1HZ LYS 29 1HZ LYS 29 1.362 9.984 7.122 251 2HZ LYS 29 2HZ LYS 29 0.710 9.312 8.531 252 3HZ LYS 29 3HZ LYS 29 0.899 8.357 7.149 253 H GLU 30 H GLU 30 5.265 3.295 8.099 254 HA GLU 30 HA GLU 30 5.359 1.391 5.857 255 1HB GLU 30 2HB GLU 30 6.257 0.652 8.634 256 2HB GLU 30 1HB GLU 30 6.478 -0.251 7.142 257 1HG GLU 30 2HG GLU 30 7.918 1.682 6.357 258 2HG GLU 30 1HG GLU 30 7.878 2.249 8.027 259 H ALA 31 H ALA 31 3.801 -0.090 5.744 260 HA ALA 31 HA ALA 31 1.969 -0.494 7.986 261 1HB ALA 31 1HB ALA 31 0.660 1.085 6.936 262 2HB ALA 31 2HB ALA 31 0.096 -0.390 6.151 263 3HB ALA 31 3HB ALA 31 1.248 0.662 5.328 264 H THR 32 H THR 32 2.095 -2.634 8.299 265 HA THR 32 HA THR 32 2.550 -4.380 6.001 266 HB THR 32 HB THR 32 2.717 -4.990 8.955 267 HG1 THR 32 1HG THR 32 5.009 -5.132 8.358 268 1HG2 THR 32 1HG2 THR 32 3.610 -6.706 6.637 269 2HG2 THR 32 2HG2 THR 32 2.085 -6.937 7.496 270 3HG2 THR 32 3HG2 THR 32 3.618 -7.126 8.350 271 H ILE 33 H ILE 33 1.131 -5.749 5.222 272 HA ILE 33 HA ILE 33 -1.235 -6.486 6.788 273 HB ILE 33 HB ILE 33 -1.465 -5.931 3.841 274 1HG1 ILE 33 2HG1 ILE 33 -2.684 -3.833 5.345 275 2HG1 ILE 33 1HG1 ILE 33 -0.999 -3.957 5.843 276 1HG2 ILE 33 1HG2 ILE 33 -3.497 -5.981 6.066 277 2HG2 ILE 33 2HG2 ILE 33 -3.189 -7.288 4.923 278 3HG2 ILE 33 3HG2 ILE 33 -3.835 -5.750 4.351 279 1HD1 ILE 33 1HD1 ILE 33 -1.094 -4.124 3.016 280 2HD1 ILE 33 2HD1 ILE 33 -0.386 -2.865 4.027 281 3HD1 ILE 33 3HD1 ILE 33 -2.073 -2.748 3.525 282 HA PRO 34 HA PRO 34 0.730 -10.370 5.501 283 1HB PRO 34 2HB PRO 34 -1.652 -11.416 6.937 284 2HB PRO 34 1HB PRO 34 0.049 -11.853 7.114 285 1HG PRO 34 2HG PRO 34 -1.158 -10.348 8.944 286 2HG PRO 34 1HG PRO 34 0.515 -10.017 8.456 287 1HD PRO 34 2HD PRO 34 -2.002 -8.594 7.692 288 2HD PRO 34 1HD PRO 34 -0.391 -7.931 8.038 289 H GLY 35 H GLY 35 0.335 -10.338 3.298 290 1HA GLY 35 2HA GLY 35 -0.706 -10.842 1.316 291 2HA GLY 35 1HA GLY 35 -1.439 -12.153 2.222 292 H HIS 36 H HIS 36 -2.098 -8.897 3.192 293 HA HIS 36 HA HIS 36 -4.015 -7.672 3.244 294 1HB HIS 36 2HB HIS 36 -3.529 -8.338 0.544 295 2HB HIS 36 1HB HIS 36 -5.259 -8.538 0.799 296 HD2 HIS 36 2HD HIS 36 -2.884 -5.669 2.126 297 HE1 HIS 36 1HE HIS 36 -6.156 -4.018 0.009 298 HE2 HIS 36 2HE HIS 36 -3.979 -3.505 1.206 299 H LEU 37 H LEU 37 -5.195 -8.533 4.882 300 HA LEU 37 HA LEU 37 -6.712 -10.963 4.507 301 1HB LEU 37 2HB LEU 37 -7.622 -10.161 6.861 302 2HB LEU 37 1HB LEU 37 -6.076 -10.957 6.683 303 HG LEU 37 HG LEU 37 -6.146 -8.952 8.222 304 1HD1 LEU 37 1HD1 LEU 37 -4.102 -8.084 6.415 305 2HD1 LEU 37 2HD1 LEU 37 -4.168 -9.847 6.457 306 3HD1 LEU 37 3HD1 LEU 37 -3.954 -8.937 7.953 307 1HD2 LEU 37 1HD2 LEU 37 -7.398 -7.710 6.120 308 2HD2 LEU 37 2HD2 LEU 37 -5.755 -7.073 6.032 309 3HD2 LEU 37 3HD2 LEU 37 -6.686 -6.907 7.520 310 H ASN 38 H ASN 38 -7.208 -7.626 4.058 311 HA ASN 38 HA ASN 38 -9.816 -8.013 3.015 312 1HB ASN 38 2HB ASN 38 -11.205 -7.081 4.611 313 2HB ASN 38 1HB ASN 38 -10.058 -7.945 5.629 314 1HD2 ASN 38 1HD2 ASN 38 -7.899 -6.132 5.367 315 2HD2 ASN 38 2HD2 ASN 38 -8.318 -4.687 6.216 316 H SER 39 H SER 39 -10.802 -5.392 3.276 317 HA SER 39 HA SER 39 -9.113 -4.045 1.385 318 1HB SER 39 2HB SER 39 -11.084 -2.240 2.198 319 2HB SER 39 1HB SER 39 -11.149 -3.302 0.791 320 HG SER 39 HG SER 39 -12.633 -3.379 3.013 321 H TYR 40 H TYR 40 -7.285 -3.165 2.136 322 HA TYR 40 HA TYR 40 -7.409 -1.575 4.612 323 1HB TYR 40 2HB TYR 40 -5.772 -3.614 4.262 324 2HB TYR 40 1HB TYR 40 -4.820 -2.430 3.374 325 HD1 TYR 40 1HD TYR 40 -4.729 -0.050 4.778 326 HD2 TYR 40 2HD TYR 40 -5.082 -3.959 6.421 327 HE1 TYR 40 1HE TYR 40 -3.768 0.758 6.891 328 HE2 TYR 40 2HE TYR 40 -4.123 -3.159 8.540 329 HH TYR 40 HH TYR 40 -3.781 -1.144 9.764 330 H THR 41 H THR 41 -7.773 0.494 4.094 331 HA THR 41 HA THR 41 -6.199 1.668 1.894 332 HB THR 41 HB THR 41 -8.676 3.019 2.860 333 HG1 THR 41 1HG THR 41 -9.164 0.724 2.467 334 1HG2 THR 41 1HG2 THR 41 -8.564 3.000 0.089 335 2HG2 THR 41 2HG2 THR 41 -6.876 3.117 0.585 336 3HG2 THR 41 3HG2 THR 41 -8.046 4.310 1.148 337 H ILE 42 H ILE 42 -5.175 3.618 2.224 338 HA ILE 42 HA ILE 42 -4.903 4.419 5.035 339 HB ILE 42 HB ILE 42 -3.095 5.002 2.686 340 1HG1 ILE 42 2HG1 ILE 42 -1.846 3.489 4.756 341 2HG1 ILE 42 1HG1 ILE 42 -3.366 2.699 4.347 342 1HG2 ILE 42 1HG2 ILE 42 -2.628 5.536 5.616 343 2HG2 ILE 42 2HG2 ILE 42 -3.093 6.758 4.433 344 3HG2 ILE 42 3HG2 ILE 42 -1.546 5.927 4.280 345 1HD1 ILE 42 1HD1 ILE 42 -2.706 2.561 2.030 346 2HD1 ILE 42 2HD1 ILE 42 -1.466 1.842 3.057 347 3HD1 ILE 42 3HD1 ILE 42 -1.222 3.449 2.375 348 H LYS 43 H LYS 43 -5.602 6.339 5.727 349 HA LYS 43 HA LYS 43 -6.254 8.406 3.733 350 1HB LYS 43 2HB LYS 43 -7.996 7.076 5.632 351 2HB LYS 43 1HB LYS 43 -7.977 8.815 5.896 352 1HG LYS 43 2HG LYS 43 -9.632 8.746 4.365 353 2HG LYS 43 1HG LYS 43 -8.271 8.798 3.243 354 1HD LYS 43 2HD LYS 43 -9.516 7.034 2.413 355 2HD LYS 43 1HD LYS 43 -8.347 6.207 3.445 356 1HE LYS 43 2HE LYS 43 -10.578 6.933 5.044 357 2HE LYS 43 1HE LYS 43 -11.186 6.161 3.581 358 1HZ LYS 43 1HZ LYS 43 -9.136 4.556 4.284 359 2HZ LYS 43 2HZ LYS 43 -10.759 4.274 4.668 360 3HZ LYS 43 3HZ LYS 43 -9.742 5.019 5.795 361 H GLY 44 H GLY 44 -5.774 10.510 4.271 362 1HA GLY 44 2HA GLY 44 -5.394 12.098 6.168 363 2HA GLY 44 1HA GLY 44 -4.325 10.867 6.821 364 H LEU 45 H LEU 45 -4.755 12.426 3.639 365 HA LEU 45 HA LEU 45 -1.947 13.265 3.746 366 1HB LEU 45 2HB LEU 45 -3.093 12.147 1.210 367 2HB LEU 45 1HB LEU 45 -1.413 12.407 1.634 368 HG LEU 45 HG LEU 45 -3.025 10.399 3.157 369 1HD1 LEU 45 1HD1 LEU 45 -1.793 8.840 1.347 370 2HD1 LEU 45 2HD1 LEU 45 -2.192 10.230 0.337 371 3HD1 LEU 45 3HD1 LEU 45 -3.468 9.374 1.202 372 1HD2 LEU 45 1HD2 LEU 45 -0.320 9.696 2.494 373 2HD2 LEU 45 2HD2 LEU 45 -1.061 9.928 4.077 374 3HD2 LEU 45 3HD2 LEU 45 -0.377 11.305 3.215 375 H LYS 46 H LYS 46 -2.992 15.298 4.240 376 HA LYS 46 HA LYS 46 -4.830 16.764 2.997 377 1HB LYS 46 2HB LYS 46 -3.719 17.883 4.692 378 2HB LYS 46 1HB LYS 46 -2.131 17.512 4.038 379 1HG LYS 46 2HG LYS 46 -2.389 19.159 2.319 380 2HG LYS 46 1HG LYS 46 -4.063 19.453 2.790 381 1HD LYS 46 2HD LYS 46 -3.342 21.037 4.176 382 2HD LYS 46 1HD LYS 46 -2.525 19.789 5.116 383 1HE LYS 46 2HE LYS 46 -0.524 20.506 4.459 384 2HE LYS 46 1HE LYS 46 -1.002 20.459 2.763 385 1HZ LYS 46 1HZ LYS 46 -1.782 22.645 2.855 386 2HZ LYS 46 2HZ LYS 46 -0.325 22.692 3.713 387 3HZ LYS 46 3HZ LYS 46 -1.796 22.680 4.547 388 HA PRO 47 HA PRO 47 -3.966 16.822 -1.361 389 1HB PRO 47 2HB PRO 47 -5.478 19.379 -1.265 390 2HB PRO 47 1HB PRO 47 -5.748 17.947 -2.264 391 1HG PRO 47 2HG PRO 47 -7.342 18.481 -0.201 392 2HG PRO 47 1HG PRO 47 -6.864 16.815 -0.577 393 1HD PRO 47 2HD PRO 47 -5.855 18.643 1.565 394 2HD PRO 47 1HD PRO 47 -6.164 16.896 1.627 395 H GLY 48 H GLY 48 -3.250 18.509 -3.031 396 1HA GLY 48 2HA GLY 48 -1.967 20.394 -3.611 397 2HA GLY 48 1HA GLY 48 -1.660 20.681 -1.905 398 H VAL 49 H VAL 49 -0.810 18.001 -1.313 399 HA VAL 49 HA VAL 49 1.788 17.997 -2.703 400 HB VAL 49 HB VAL 49 2.148 18.592 -0.415 401 1HG1 VAL 49 1HG1 VAL 49 0.079 16.563 0.086 402 2HG1 VAL 49 2HG1 VAL 49 0.444 18.056 0.952 403 3HG1 VAL 49 3HG1 VAL 49 1.399 16.604 1.255 404 1HG2 VAL 49 1HG2 VAL 49 3.947 17.292 -0.402 405 2HG2 VAL 49 2HG2 VAL 49 3.171 16.191 -1.540 406 3HG2 VAL 49 3HG2 VAL 49 2.975 15.948 0.195 407 H VAL 50 H VAL 50 2.306 16.229 -3.814 408 HA VAL 50 HA VAL 50 0.515 13.957 -3.797 409 HB VAL 50 HB VAL 50 3.048 14.333 -5.400 410 1HG1 VAL 50 1HG1 VAL 50 2.371 12.547 -6.724 411 2HG1 VAL 50 2HG1 VAL 50 0.702 12.633 -6.159 412 3HG1 VAL 50 3HG1 VAL 50 1.963 12.011 -5.094 413 1HG2 VAL 50 1HG2 VAL 50 1.906 15.477 -7.007 414 2HG2 VAL 50 2HG2 VAL 50 1.013 16.024 -5.588 415 3HG2 VAL 50 3HG2 VAL 50 0.361 14.733 -6.597 416 H TYR 51 H TYR 51 0.996 11.888 -3.145 417 HA TYR 51 HA TYR 51 3.433 11.613 -1.519 418 1HB TYR 51 2HB TYR 51 0.649 10.632 -1.214 419 2HB TYR 51 1HB TYR 51 1.930 9.543 -0.693 420 HD1 TYR 51 1HD TYR 51 0.103 12.591 0.035 421 HD2 TYR 51 2HD TYR 51 3.473 10.234 1.122 422 HE1 TYR 51 1HE TYR 51 0.258 13.808 2.165 423 HE2 TYR 51 2HE TYR 51 3.640 11.444 3.255 424 HH TYR 51 HH TYR 51 1.755 12.811 4.747 425 H GLU 52 H GLU 52 4.848 9.993 -1.895 426 HA GLU 52 HA GLU 52 4.243 8.202 -4.151 427 1HB GLU 52 2HB GLU 52 6.717 8.050 -4.443 428 2HB GLU 52 1HB GLU 52 6.071 9.662 -4.713 429 1HG GLU 52 2HG GLU 52 6.965 10.487 -2.730 430 2HG GLU 52 1HG GLU 52 7.188 8.876 -2.051 431 H GLY 53 H GLY 53 4.238 6.068 -3.789 432 1HA GLY 53 2HA GLY 53 5.648 5.025 -1.448 433 2HA GLY 53 1HA GLY 53 3.916 4.761 -1.540 434 H GLN 54 H GLN 54 5.904 2.761 -1.408 435 HA GLN 54 HA GLN 54 5.372 1.381 -3.942 436 1HB GLN 54 2HB GLN 54 7.883 0.589 -2.657 437 2HB GLN 54 1HB GLN 54 7.543 0.919 -4.350 438 1HG GLN 54 2HG GLN 54 8.449 2.938 -4.228 439 2HG GLN 54 1HG GLN 54 7.530 3.342 -2.779 440 1HE2 GLN 54 1HE2 GLN 54 8.377 1.955 -0.814 441 2HE2 GLN 54 2HE2 GLN 54 10.085 2.048 -0.575 442 H LEU 55 H LEU 55 4.995 -0.841 -3.756 443 HA LEU 55 HA LEU 55 4.396 -1.707 -1.021 444 1HB LEU 55 2HB LEU 55 2.639 -1.727 -2.848 445 2HB LEU 55 1HB LEU 55 3.543 -3.036 -3.585 446 HG LEU 55 HG LEU 55 3.242 -4.326 -1.440 447 1HD1 LEU 55 1HD1 LEU 55 2.717 -2.299 -0.068 448 2HD1 LEU 55 2HD1 LEU 55 1.591 -3.641 0.131 449 3HD1 LEU 55 3HD1 LEU 55 1.140 -2.251 -0.856 450 1HD2 LEU 55 1HD2 LEU 55 0.787 -3.515 -2.991 451 2HD2 LEU 55 2HD2 LEU 55 0.910 -4.932 -1.947 452 3HD2 LEU 55 3HD2 LEU 55 1.909 -4.814 -3.395 453 H ILE 56 H ILE 56 6.058 -2.717 -0.107 454 HA ILE 56 HA ILE 56 7.766 -4.472 -1.703 455 HB ILE 56 HB ILE 56 8.027 -3.377 1.099 456 1HG1 ILE 56 2HG1 ILE 56 10.113 -2.388 0.187 457 2HG1 ILE 56 1HG1 ILE 56 9.742 -3.071 -1.392 458 1HG2 ILE 56 1HG2 ILE 56 9.550 -5.576 -0.243 459 2HG2 ILE 56 2HG2 ILE 56 8.900 -5.505 1.395 460 3HG2 ILE 56 3HG2 ILE 56 10.321 -4.553 0.968 461 1HD1 ILE 56 1HD1 ILE 56 9.179 -0.721 -1.312 462 2HD1 ILE 56 2HD1 ILE 56 8.129 -0.996 0.078 463 3HD1 ILE 56 3HD1 ILE 56 7.717 -1.692 -1.488 464 H SER 57 H SER 57 7.418 -6.596 -1.743 465 HA SER 57 HA SER 57 5.632 -7.782 0.226 466 1HB SER 57 2HB SER 57 4.958 -9.181 -1.401 467 2HB SER 57 1HB SER 57 5.811 -8.100 -2.506 468 HG SER 57 HG SER 57 6.299 -10.600 -2.205 469 H ILE 58 H ILE 58 6.487 -8.627 1.919 470 HA ILE 58 HA ILE 58 9.215 -9.707 1.796 471 HB ILE 58 HB ILE 58 7.676 -8.957 4.278 472 1HG1 ILE 58 2HG1 ILE 58 9.889 -7.352 3.001 473 2HG1 ILE 58 1HG1 ILE 58 8.192 -7.053 2.641 474 1HG2 ILE 58 1HG2 ILE 58 9.844 -10.566 4.059 475 2HG2 ILE 58 2HG2 ILE 58 9.471 -9.582 5.476 476 3HG2 ILE 58 3HG2 ILE 58 10.612 -8.992 4.268 477 1HD1 ILE 58 1HD1 ILE 58 9.113 -7.089 5.474 478 2HD1 ILE 58 2HD1 ILE 58 7.752 -6.238 4.744 479 3HD1 ILE 58 3HD1 ILE 58 9.399 -5.669 4.469 480 H GLN 59 H GLN 59 9.289 -11.813 1.524 481 HA GLN 59 HA GLN 59 7.180 -13.534 2.565 482 1HB GLN 59 2HB GLN 59 9.178 -13.700 0.445 483 2HB GLN 59 1HB GLN 59 9.115 -15.162 1.419 484 1HG GLN 59 2HG GLN 59 6.646 -15.210 1.033 485 2HG GLN 59 1HG GLN 59 6.863 -13.883 -0.106 486 1HE2 GLN 59 1HE2 GLN 59 9.022 -16.613 0.415 487 2HE2 GLN 59 2HE2 GLN 59 8.838 -17.295 -1.161 488 H GLN 60 H GLN 60 8.337 -15.813 3.283 489 HA GLN 60 HA GLN 60 9.352 -15.293 5.851 490 1HB GLN 60 2HB GLN 60 9.571 -17.642 6.103 491 2HB GLN 60 1HB GLN 60 8.166 -17.388 5.077 492 1HG GLN 60 2HG GLN 60 9.281 -18.124 3.166 493 2HG GLN 60 1HG GLN 60 10.868 -17.935 3.908 494 1HE2 GLN 60 1HE2 GLN 60 11.708 -19.563 5.113 495 2HE2 GLN 60 2HE2 GLN 60 10.952 -21.104 5.309 496 H TYR 61 H TYR 61 10.894 -15.294 2.825 497 HA TYR 61 HA TYR 61 13.544 -15.703 4.023 498 1HB TYR 61 2HB TYR 61 12.675 -15.630 1.128 499 2HB TYR 61 1HB TYR 61 14.341 -15.827 1.664 500 HD1 TYR 61 1HD TYR 61 14.220 -17.736 3.806 501 HD2 TYR 61 2HD TYR 61 11.933 -17.617 0.220 502 HE1 TYR 61 1HE TYR 61 13.886 -20.167 3.945 503 HE2 TYR 61 2HE TYR 61 11.593 -20.049 0.349 504 HH TYR 61 HH TYR 61 13.325 -22.066 1.932 505 H GLY 62 H GLY 62 11.494 -13.223 3.503 506 1HA GLY 62 2HA GLY 62 12.329 -10.999 4.089 507 2HA GLY 62 1HA GLY 62 13.714 -11.327 3.059 508 H HIS 63 H HIS 63 12.586 -9.030 2.520 509 HA HIS 63 HA HIS 63 10.334 -8.920 0.895 510 1HB HIS 63 2HB HIS 63 11.030 -6.764 0.263 511 2HB HIS 63 1HB HIS 63 11.714 -6.993 1.867 512 HD2 HIS 63 2HD HIS 63 14.428 -6.813 2.034 513 HE1 HIS 63 1HE HIS 63 15.112 -6.414 -2.123 514 HE2 HIS 63 2HE HIS 63 16.200 -6.500 0.166 515 H GLN 64 H GLN 64 10.149 -8.691 -1.450 516 HA GLN 64 HA GLN 64 12.292 -9.433 -3.156 517 1HB GLN 64 2HB GLN 64 10.977 -11.588 -3.917 518 2HB GLN 64 1HB GLN 64 12.159 -11.648 -2.617 519 1HG GLN 64 2HG GLN 64 10.337 -11.454 -0.980 520 2HG GLN 64 1HG GLN 64 9.171 -11.456 -2.302 521 1HE2 GLN 64 1HE2 GLN 64 11.614 -13.350 -0.648 522 2HE2 GLN 64 2HE2 GLN 64 11.017 -14.896 -1.134 523 H GLU 65 H GLU 65 9.361 -8.018 -2.681 524 HA GLU 65 HA GLU 65 8.970 -7.745 -5.568 525 1HB GLU 65 2HB GLU 65 7.383 -9.455 -4.069 526 2HB GLU 65 1HB GLU 65 6.423 -7.988 -4.171 527 1HG GLU 65 2HG GLU 65 6.595 -8.032 -6.607 528 2HG GLU 65 1HG GLU 65 7.573 -9.495 -6.514 529 H VAL 66 H VAL 66 9.069 -5.601 -5.923 530 HA VAL 66 HA VAL 66 7.433 -3.900 -4.200 531 HB VAL 66 HB VAL 66 9.468 -3.502 -3.226 532 1HG1 VAL 66 1HG1 VAL 66 10.640 -4.684 -5.239 533 2HG1 VAL 66 2HG1 VAL 66 11.527 -3.633 -4.133 534 3HG1 VAL 66 3HG1 VAL 66 11.004 -3.020 -5.705 535 1HG2 VAL 66 1HG2 VAL 66 9.886 -1.320 -5.152 536 2HG2 VAL 66 2HG2 VAL 66 9.633 -1.264 -3.407 537 3HG2 VAL 66 3HG2 VAL 66 8.255 -1.453 -4.492 538 H THR 67 H THR 67 6.412 -2.234 -5.140 539 HA THR 67 HA THR 67 6.998 -1.590 -7.942 540 HB THR 67 HB THR 67 4.200 -2.099 -6.905 541 HG1 THR 67 1HG THR 67 4.481 -3.863 -8.604 542 1HG2 THR 67 1HG2 THR 67 4.514 -2.125 -9.766 543 2HG2 THR 67 2HG2 THR 67 5.108 -0.603 -9.101 544 3HG2 THR 67 3HG2 THR 67 3.457 -1.126 -8.769 545 H ARG 68 H ARG 68 7.166 0.552 -8.205 546 HA ARG 68 HA ARG 68 6.384 2.320 -6.055 547 1HB ARG 68 2HB ARG 68 7.613 3.129 -8.683 548 2HB ARG 68 1HB ARG 68 7.671 3.986 -7.148 549 1HG ARG 68 2HG ARG 68 9.397 2.770 -6.383 550 2HG ARG 68 1HG ARG 68 8.813 1.279 -7.118 551 1HD ARG 68 2HD ARG 68 10.998 2.383 -7.996 552 2HD ARG 68 1HD ARG 68 9.831 1.715 -9.137 553 HE ARG 68 HE ARG 68 9.399 3.838 -9.903 554 1HH1 ARG 68 1HH1 ARG 68 11.234 4.023 -6.944 555 2HH1 ARG 68 2HH1 ARG 68 11.524 5.725 -7.081 556 1HH2 ARG 68 1HH2 ARG 68 9.772 6.078 -10.087 557 2HH2 ARG 68 2HH2 ARG 68 10.691 6.894 -8.867 558 H PHE 69 H PHE 69 4.865 3.904 -6.103 559 HA PHE 69 HA PHE 69 3.398 4.536 -8.508 560 1HB PHE 69 2HB PHE 69 1.182 4.004 -7.283 561 2HB PHE 69 1HB PHE 69 2.063 2.677 -8.032 562 HD1 PHE 69 1HD PHE 69 1.416 4.361 -4.797 563 HD2 PHE 69 2HD PHE 69 2.788 0.850 -6.772 564 HE1 PHE 69 1HE PHE 69 1.438 3.163 -2.645 565 HE2 PHE 69 2HE PHE 69 2.812 -0.353 -4.626 566 HZ PHE 69 HZ PHE 69 2.136 0.803 -2.560 567 H ASP 70 H ASP 70 1.930 6.330 -8.217 568 HA ASP 70 HA ASP 70 2.559 7.927 -5.821 569 1HB ASP 70 2HB ASP 70 2.234 8.690 -8.705 570 2HB ASP 70 1HB ASP 70 1.881 9.870 -7.446 571 H PHE 71 H PHE 71 0.876 8.612 -4.597 572 HA PHE 71 HA PHE 71 -1.784 8.737 -5.744 573 1HB PHE 71 2HB PHE 71 -2.767 7.059 -4.487 574 2HB PHE 71 1HB PHE 71 -1.213 6.348 -4.902 575 HD1 PHE 71 1HD PHE 71 -3.456 7.071 -2.285 576 HD2 PHE 71 2HD PHE 71 0.695 6.696 -3.154 577 HE1 PHE 71 1HE PHE 71 -2.993 6.701 0.103 578 HE2 PHE 71 2HE PHE 71 1.164 6.324 -0.768 579 HZ PHE 71 HZ PHE 71 -0.681 6.326 0.864 580 H THR 72 H THR 72 -3.405 9.555 -4.245 581 HA THR 72 HA THR 72 -2.440 10.936 -1.876 582 HB THR 72 HB THR 72 -3.878 12.976 -2.854 583 HG1 THR 72 1HG THR 72 -3.651 11.451 -4.957 584 1HG2 THR 72 1HG2 THR 72 -1.030 12.313 -2.769 585 2HG2 THR 72 2HG2 THR 72 -1.870 13.769 -2.235 586 3HG2 THR 72 3HG2 THR 72 -1.431 13.576 -3.932 587 H THR 73 H THR 73 -4.185 11.660 -0.493 588 HA THR 73 HA THR 73 -6.438 9.893 -0.598 589 HB THR 73 HB THR 73 -5.360 10.605 1.538 590 HG1 THR 73 1HG THR 73 -8.105 10.784 1.012 591 1HG2 THR 73 1HG2 THR 73 -6.531 12.897 2.306 592 2HG2 THR 73 2HG2 THR 73 -6.311 13.239 0.589 593 3HG2 THR 73 3HG2 THR 73 -4.920 12.829 1.592 594 H THR 74 H THR 74 -5.818 13.146 -1.592 595 HA THR 74 HA THR 74 -8.378 13.317 -2.880 596 HB THR 74 HB THR 74 -8.514 15.743 -1.618 597 HG1 THR 74 1HG THR 74 -8.322 14.174 0.624 598 1HG2 THR 74 1HG2 THR 74 -9.910 13.150 -1.381 599 2HG2 THR 74 2HG2 THR 74 -10.546 14.749 -1.765 600 3HG2 THR 74 3HG2 THR 74 -10.206 14.313 -0.090 601 H SER 75 H SER 75 -6.334 13.287 -4.357 602 HA SER 75 HA SER 75 -6.058 15.943 -5.404 603 1HB SER 75 2HB SER 75 -4.297 15.689 -3.527 604 2HB SER 75 1HB SER 75 -3.465 14.613 -4.649 605 HG SER 75 HG SER 75 -3.687 16.452 -6.179 606 H THR 76 H THR 76 -3.329 14.727 -6.494 607 HA THR 76 HA THR 76 -4.357 13.945 -8.995 608 HB THR 76 HB THR 76 -2.050 14.898 -8.512 609 HG1 THR 76 1HG THR 76 -1.783 12.573 -10.073 610 1HG2 THR 76 1HG2 THR 76 -0.716 13.745 -7.143 611 2HG2 THR 76 2HG2 THR 76 -0.587 12.512 -8.399 612 3HG2 THR 76 3HG2 THR 76 -1.818 12.367 -7.143 613 H SER 77 H SER 77 -3.023 11.772 -9.860 614 HA SER 77 HA SER 77 -3.046 9.510 -10.004 615 1HB SER 77 2HB SER 77 -2.398 8.361 -8.162 616 2HB SER 77 1HB SER 77 -2.271 9.964 -7.438 617 HG SER 77 HG SER 77 -3.664 8.097 -6.472 618 H THR 78 H THR 78 -4.473 7.672 -10.012 619 HA THR 78 HA THR 78 -7.217 8.099 -9.156 620 HB THR 78 HB THR 78 -7.592 7.161 -11.744 621 HG1 THR 78 1HG THR 78 -5.569 7.830 -12.428 622 1HG2 THR 78 1HG2 THR 78 -7.947 9.860 -10.467 623 2HG2 THR 78 2HG2 THR 78 -9.163 8.619 -10.770 624 3HG2 THR 78 3HG2 THR 78 -8.477 9.529 -12.117 625 HA PRO 79 HA PRO 79 -6.736 3.712 -8.632 626 1HB PRO 79 2HB PRO 79 -9.181 3.116 -7.733 627 2HB PRO 79 1HB PRO 79 -8.068 4.099 -6.773 628 1HG PRO 79 2HG PRO 79 -10.368 4.969 -8.482 629 2HG PRO 79 1HG PRO 79 -9.901 5.531 -6.866 630 1HD PRO 79 2HD PRO 79 -9.287 6.855 -9.195 631 2HD PRO 79 1HD PRO 79 -8.348 6.994 -7.696 632 H GLY 80 H GLY 80 -6.679 3.900 -11.195 633 1HA GLY 80 2HA GLY 80 -8.900 2.220 -12.176 634 2HA GLY 80 1HA GLY 80 -8.255 3.539 -13.141 635 H SER 81 H SER 81 -5.873 1.972 -11.331 636 HA SER 81 HA SER 81 -5.285 -0.022 -13.367 637 1HB SER 81 2HB SER 81 -4.156 2.459 -13.648 638 2HB SER 81 1HB SER 81 -2.925 1.608 -12.715 639 HG SER 81 HG SER 81 -3.377 -0.121 -14.425 640 H ARG 82 H ARG 82 -2.827 -0.826 -12.674 641 HA ARG 82 HA ARG 82 -1.734 -2.176 -11.206 642 1HB ARG 82 2HB ARG 82 -2.283 0.322 -9.806 643 2HB ARG 82 1HB ARG 82 -2.096 -1.035 -8.704 644 1HG ARG 82 2HG ARG 82 0.077 -0.475 -8.838 645 2HG ARG 82 1HG ARG 82 0.016 -1.460 -10.302 646 1HD ARG 82 2HD ARG 82 -0.824 1.247 -10.837 647 2HD ARG 82 1HD ARG 82 0.773 1.220 -10.091 648 HE ARG 82 HE ARG 82 1.157 -0.574 -11.960 649 1HH1 ARG 82 1HH1 ARG 82 -0.612 2.421 -12.198 650 2HH1 ARG 82 2HH1 ARG 82 -0.269 2.638 -13.882 651 1HH2 ARG 82 1HH2 ARG 82 1.611 -0.294 -14.178 652 2HH2 ARG 82 2HH2 ARG 82 0.993 1.096 -15.007 653 H SER 83 H SER 83 -3.384 -3.811 -11.591 654 HA SER 83 HA SER 83 -5.061 -4.292 -9.216 655 1HB SER 83 2HB SER 83 -6.078 -5.896 -11.253 656 2HB SER 83 1HB SER 83 -6.774 -4.384 -10.668 657 HG SER 83 HG SER 83 -6.366 -4.468 -12.973 658 H HIS 84 H HIS 84 -5.618 -6.747 -9.071 659 HA HIS 84 HA HIS 84 -3.170 -8.113 -8.610 660 1HB HIS 84 2HB HIS 84 -6.042 -8.650 -8.198 661 2HB HIS 84 1HB HIS 84 -5.040 -10.080 -8.420 662 HD2 HIS 84 2HD HIS 84 -2.657 -9.921 -6.590 663 HE1 HIS 84 1HE HIS 84 -5.099 -8.096 -3.655 664 HE2 HIS 84 2HE HIS 84 -2.991 -9.442 -4.063 665 H HIS 85 H HIS 85 -5.569 -8.207 -11.168 666 HA HIS 85 HA HIS 85 -3.727 -9.494 -12.943 667 1HB HIS 85 2HB HIS 85 -4.899 -11.340 -11.497 668 2HB HIS 85 1HB HIS 85 -6.270 -11.034 -12.559 669 HD2 HIS 85 2HD HIS 85 -2.435 -11.747 -13.255 670 HE1 HIS 85 1HE HIS 85 -4.869 -13.975 -15.906 671 HE2 HIS 85 2HE HIS 85 -2.499 -13.568 -15.102 672 H HIS 86 H HIS 86 -4.064 -8.709 -14.914 673 HA HIS 86 HA HIS 86 -6.397 -7.093 -15.425 674 1HB HIS 86 2HB HIS 86 -3.732 -7.195 -16.380 675 2HB HIS 86 1HB HIS 86 -4.783 -7.455 -17.768 676 HD2 HIS 86 2HD HIS 86 -5.212 -4.897 -14.782 677 HE1 HIS 86 1HE HIS 86 -5.397 -2.879 -18.500 678 HE2 HIS 86 2HE HIS 86 -5.718 -2.658 -15.993 679 H HIS 87 H HIS 87 -6.618 -7.490 -18.223 680 HA HIS 87 HA HIS 87 -8.209 -9.941 -18.215 681 1HB HIS 87 2HB HIS 87 -9.019 -8.938 -20.461 682 2HB HIS 87 1HB HIS 87 -9.527 -8.166 -18.963 683 HD2 HIS 87 2HD HIS 87 -6.550 -7.580 -21.505 684 HE1 HIS 87 1HE HIS 87 -8.072 -3.881 -20.120 685 HE2 HIS 87 2HE HIS 87 -6.271 -5.001 -21.509 686 H HIS 88 H HIS 88 -5.171 -8.966 -19.159 687 HA HIS 88 HA HIS 88 -4.895 -11.306 -20.870 688 1HB HIS 88 2HB HIS 88 -4.903 -8.596 -21.875 689 2HB HIS 88 1HB HIS 88 -3.351 -9.371 -22.177 690 HD2 HIS 88 2HD HIS 88 -3.357 -11.424 -24.019 691 HE1 HIS 88 1HE HIS 88 -7.440 -11.009 -25.047 692 HE2 HIS 88 2HE HIS 88 -5.285 -12.248 -25.543 693 H HIS 89 H HIS 89 -3.803 -9.361 -18.428 694 HA HIS 89 HA HIS 89 -1.938 -9.327 -17.135 695 1HB HIS 89 2HB HIS 89 -2.100 -11.690 -16.951 696 2HB HIS 89 1HB HIS 89 -1.512 -11.933 -18.591 697 HD2 HIS 89 2HD HIS 89 -0.016 -10.568 -15.199 698 HE1 HIS 89 1HE HIS 89 2.993 -12.494 -17.469 699 HE2 HIS 89 2HE HIS 89 2.414 -11.475 -15.220 Start of MODEL 28 1 1H MET 1 1HT MET 1 17.517 -16.064 -6.898 2 2H MET 1 2HT MET 1 15.877 -16.389 -7.157 3 3H MET 1 3HT MET 1 16.728 -17.232 -5.962 4 HA MET 1 HA MET 1 15.868 -15.755 -4.557 5 1HB MET 1 2HB MET 1 18.132 -14.379 -5.952 6 2HB MET 1 1HB MET 1 17.231 -13.505 -4.720 7 1HG MET 1 2HG MET 1 18.843 -14.389 -3.406 8 2HG MET 1 1HG MET 1 17.694 -15.723 -3.346 9 1HE MET 1 1HE MET 1 21.494 -14.840 -4.391 10 2HE MET 1 2HE MET 1 20.348 -14.191 -5.564 11 3HE MET 1 3HE MET 1 21.414 -15.521 -6.016 12 H ARG 2 H ARG 2 16.503 -13.566 -7.301 13 HA ARG 2 HA ARG 2 13.702 -12.670 -7.105 14 1HB ARG 2 2HB ARG 2 15.713 -11.079 -6.489 15 2HB ARG 2 1HB ARG 2 15.834 -10.904 -8.235 16 1HG ARG 2 2HG ARG 2 13.354 -10.320 -8.180 17 2HG ARG 2 1HG ARG 2 13.558 -10.151 -6.435 18 1HD ARG 2 2HD ARG 2 15.560 -8.763 -8.092 19 2HD ARG 2 1HD ARG 2 13.914 -8.141 -8.209 20 HE ARG 2 HE ARG 2 13.994 -7.555 -5.936 21 1HH1 ARG 2 1HH1 ARG 2 16.971 -8.994 -7.039 22 2HH1 ARG 2 2HH1 ARG 2 17.891 -8.441 -5.680 23 1HH2 ARG 2 1HH2 ARG 2 15.198 -6.823 -4.146 24 2HH2 ARG 2 2HH2 ARG 2 16.884 -7.207 -4.035 25 H GLY 3 H GLY 3 14.914 -14.808 -8.767 26 1HA GLY 3 2HA GLY 3 14.369 -13.668 -11.436 27 2HA GLY 3 1HA GLY 3 15.437 -15.032 -11.150 28 H SER 4 H SER 4 14.092 -16.744 -9.656 29 HA SER 4 HA SER 4 12.277 -17.939 -11.427 30 1HB SER 4 2HB SER 4 13.546 -19.226 -9.772 31 2HB SER 4 1HB SER 4 12.651 -18.449 -8.467 32 HG SER 4 HG SER 4 10.972 -19.680 -8.868 33 H ASN 5 H ASN 5 10.095 -17.976 -11.574 34 HA ASN 5 HA ASN 5 8.646 -15.824 -10.326 35 1HB ASN 5 2HB ASN 5 6.705 -16.880 -11.650 36 2HB ASN 5 1HB ASN 5 8.039 -16.183 -12.566 37 1HD2 ASN 5 1HD2 ASN 5 6.235 -18.985 -11.877 38 2HD2 ASN 5 2HD2 ASN 5 7.115 -20.083 -12.880 39 H ALA 6 H ALA 6 7.332 -15.919 -8.615 40 HA ALA 6 HA ALA 6 6.072 -18.366 -7.776 41 1HB ALA 6 1HB ALA 6 7.214 -18.830 -5.845 42 2HB ALA 6 2HB ALA 6 7.815 -17.181 -5.673 43 3HB ALA 6 3HB ALA 6 8.536 -18.263 -6.864 44 HA PRO 7 HA PRO 7 3.951 -14.393 -6.563 45 1HB PRO 7 2HB PRO 7 1.728 -14.659 -8.038 46 2HB PRO 7 1HB PRO 7 3.224 -14.018 -8.729 47 1HG PRO 7 2HG PRO 7 2.078 -16.777 -8.928 48 2HG PRO 7 1HG PRO 7 2.817 -15.779 -10.195 49 1HD PRO 7 2HD PRO 7 4.143 -17.771 -8.867 50 2HD PRO 7 1HD PRO 7 4.948 -16.357 -9.575 51 H GLN 8 H GLN 8 3.684 -17.592 -6.018 52 HA GLN 8 HA GLN 8 2.566 -18.876 -4.517 53 1HB GLN 8 2HB GLN 8 1.889 -16.123 -3.572 54 2HB GLN 8 1HB GLN 8 1.027 -17.491 -2.877 55 1HG GLN 8 2HG GLN 8 4.025 -17.297 -2.957 56 2HG GLN 8 1HG GLN 8 3.047 -16.713 -1.611 57 1HE2 GLN 8 1HE2 GLN 8 4.974 -19.106 -2.370 58 2HE2 GLN 8 2HE2 GLN 8 4.223 -20.433 -1.557 59 HA PRO 9 HA PRO 9 -1.275 -19.571 -6.622 60 1HB PRO 9 2HB PRO 9 -2.160 -21.707 -5.241 61 2HB PRO 9 1HB PRO 9 -0.781 -21.809 -6.344 62 1HG PRO 9 2HG PRO 9 -0.807 -21.556 -3.360 63 2HG PRO 9 1HG PRO 9 0.198 -22.597 -4.385 64 1HD PRO 9 2HD PRO 9 1.074 -20.239 -3.332 65 2HD PRO 9 1HD PRO 9 1.679 -20.905 -4.862 66 H SER 10 H SER 10 -1.018 -18.109 -3.732 67 HA SER 10 HA SER 10 -3.915 -17.748 -3.527 68 1HB SER 10 2HB SER 10 -2.195 -18.158 -1.075 69 2HB SER 10 1HB SER 10 -3.953 -18.035 -1.150 70 HG SER 10 HG SER 10 -2.310 -20.135 -2.103 71 H HIS 11 H HIS 11 -1.271 -16.677 -1.419 72 HA HIS 11 HA HIS 11 -1.149 -14.057 -2.566 73 1HB HIS 11 2HB HIS 11 -2.059 -12.809 -0.690 74 2HB HIS 11 1HB HIS 11 -3.284 -13.905 -1.319 75 HD2 HIS 11 2HD HIS 11 -4.320 -15.655 0.471 76 HE1 HIS 11 1HE HIS 11 -1.642 -14.760 3.625 77 HE2 HIS 11 2HE HIS 11 -3.826 -15.891 3.007 78 H ILE 12 H ILE 12 0.265 -12.598 -1.263 79 HA ILE 12 HA ILE 12 2.610 -14.011 -0.455 80 HB ILE 12 HB ILE 12 3.032 -11.978 -1.546 81 1HG1 ILE 12 2HG1 ILE 12 3.649 -10.486 0.731 82 2HG1 ILE 12 1HG1 ILE 12 3.715 -12.158 1.273 83 1HG2 ILE 12 1HG2 ILE 12 1.895 -9.966 0.096 84 2HG2 ILE 12 2HG2 ILE 12 0.635 -11.139 -0.289 85 3HG2 ILE 12 3HG2 ILE 12 1.533 -10.350 -1.587 86 1HD1 ILE 12 1HD1 ILE 12 5.779 -10.871 0.177 87 2HD1 ILE 12 2HD1 ILE 12 5.061 -11.573 -1.274 88 3HD1 ILE 12 3HD1 ILE 12 5.548 -12.615 0.063 89 H SER 13 H SER 13 3.592 -14.085 1.575 90 HA SER 13 HA SER 13 2.000 -14.568 3.780 91 1HB SER 13 2HB SER 13 4.860 -13.585 3.891 92 2HB SER 13 1HB SER 13 4.025 -14.564 5.097 93 HG SER 13 HG SER 13 4.797 -15.310 2.476 94 H LYS 14 H LYS 14 3.739 -11.579 2.928 95 HA LYS 14 HA LYS 14 1.764 -10.010 4.307 96 1HB LYS 14 2HB LYS 14 3.064 -9.087 6.017 97 2HB LYS 14 1HB LYS 14 3.453 -10.800 6.074 98 1HG LYS 14 2HG LYS 14 5.403 -10.023 4.452 99 2HG LYS 14 1HG LYS 14 5.136 -8.494 5.292 100 1HD LYS 14 2HD LYS 14 5.197 -10.039 7.424 101 2HD LYS 14 1HD LYS 14 6.107 -11.104 6.352 102 1HE LYS 14 2HE LYS 14 7.858 -9.900 7.122 103 2HE LYS 14 1HE LYS 14 7.361 -8.788 5.848 104 1HZ LYS 14 1HZ LYS 14 7.301 -8.447 8.694 105 2HZ LYS 14 2HZ LYS 14 5.824 -8.060 7.964 106 3HZ LYS 14 3HZ LYS 14 7.242 -7.284 7.465 107 H TYR 15 H TYR 15 1.733 -7.882 3.682 108 HA TYR 15 HA TYR 15 3.619 -7.137 1.544 109 1HB TYR 15 2HB TYR 15 0.759 -7.160 1.621 110 2HB TYR 15 1HB TYR 15 1.290 -5.488 1.492 111 HD1 TYR 15 1HD TYR 15 3.590 -5.554 -0.224 112 HD2 TYR 15 2HD TYR 15 0.041 -7.890 -0.445 113 HE1 TYR 15 1HE TYR 15 3.933 -5.837 -2.643 114 HE2 TYR 15 2HE TYR 15 0.376 -8.183 -2.863 115 HH TYR 15 HH TYR 15 1.621 -7.672 -4.624 116 H ILE 16 H ILE 16 4.568 -5.099 1.600 117 HA ILE 16 HA ILE 16 4.165 -3.602 4.092 118 HB ILE 16 HB ILE 16 6.521 -4.664 2.942 119 1HG1 ILE 16 2HG1 ILE 16 5.718 -4.262 5.372 120 2HG1 ILE 16 1HG1 ILE 16 7.434 -4.176 5.009 121 1HG2 ILE 16 1HG2 ILE 16 7.965 -2.845 2.583 122 2HG2 ILE 16 2HG2 ILE 16 6.765 -1.676 3.141 123 3HG2 ILE 16 3HG2 ILE 16 6.527 -2.530 1.613 124 1HD1 ILE 16 1HD1 ILE 16 6.599 -2.392 6.532 125 2HD1 ILE 16 2HD1 ILE 16 5.638 -1.770 5.191 126 3HD1 ILE 16 3HD1 ILE 16 7.398 -1.788 5.081 127 H LEU 17 H LEU 17 3.789 -1.453 4.026 128 HA LEU 17 HA LEU 17 3.696 -0.175 1.372 129 1HB LEU 17 2HB LEU 17 1.522 -0.724 2.955 130 2HB LEU 17 1HB LEU 17 1.907 0.920 3.429 131 HG LEU 17 HG LEU 17 1.923 0.652 0.545 132 1HD1 LEU 17 1HD1 LEU 17 -0.852 0.466 1.406 133 2HD1 LEU 17 2HD1 LEU 17 0.063 -1.017 1.679 134 3HD1 LEU 17 3HD1 LEU 17 -0.023 -0.318 0.061 135 1HD2 LEU 17 1HD2 LEU 17 1.692 2.691 2.130 136 2HD2 LEU 17 2HD2 LEU 17 -0.017 2.262 2.149 137 3HD2 LEU 17 3HD2 LEU 17 0.777 2.656 0.624 138 H ARG 18 H ARG 18 5.205 1.338 1.241 139 HA ARG 18 HA ARG 18 5.750 2.985 3.620 140 1HB ARG 18 2HB ARG 18 7.990 2.918 1.802 141 2HB ARG 18 1HB ARG 18 7.939 2.538 3.518 142 1HG ARG 18 2HG ARG 18 6.768 0.339 2.302 143 2HG ARG 18 1HG ARG 18 8.105 0.773 1.235 144 1HD ARG 18 2HD ARG 18 8.496 0.597 4.201 145 2HD ARG 18 1HD ARG 18 8.540 -0.853 3.197 146 HE ARG 18 HE ARG 18 10.238 1.150 2.135 147 1HH1 ARG 18 1HH1 ARG 18 10.021 -1.169 4.727 148 2HH1 ARG 18 2HH1 ARG 18 11.737 -1.353 4.878 149 1HH2 ARG 18 1HH2 ARG 18 12.497 0.912 2.326 150 2HH2 ARG 18 2HH2 ARG 18 13.144 -0.170 3.514 151 H TRP 19 H TRP 19 5.542 5.148 3.328 152 HA TRP 19 HA TRP 19 5.962 6.324 0.729 153 1HB TRP 19 2HB TRP 19 3.744 7.147 0.364 154 2HB TRP 19 1HB TRP 19 3.636 5.407 0.609 155 HD1 TRP 19 HD TRP 19 2.221 8.609 1.818 156 HE1 TRP 19 1HE TRP 19 0.687 8.205 3.846 157 HE3 TRP 19 3HE TRP 19 3.535 3.786 2.883 158 HZ2 TRP 19 2HZ TRP 19 0.117 6.123 5.662 159 HZ3 TRP 19 3HZ TRP 19 2.452 2.662 4.785 160 HH2 TRP 19 HH TRP 19 0.780 3.807 6.145 161 H ARG 20 H ARG 20 5.788 8.611 0.687 162 HA ARG 20 HA ARG 20 5.424 10.116 3.103 163 1HB ARG 20 2HB ARG 20 7.592 10.708 3.594 164 2HB ARG 20 1HB ARG 20 7.860 9.068 3.021 165 1HG ARG 20 2HG ARG 20 8.168 10.255 0.706 166 2HG ARG 20 1HG ARG 20 8.507 11.661 1.715 167 1HD ARG 20 2HD ARG 20 10.321 10.571 2.776 168 2HD ARG 20 1HD ARG 20 9.868 9.009 2.100 169 HE ARG 20 HE ARG 20 10.495 9.960 -0.102 170 1HH1 ARG 20 1HH1 ARG 20 11.784 11.352 2.820 171 2HH1 ARG 20 2HH1 ARG 20 13.197 11.987 2.048 172 1HH2 ARG 20 1HH2 ARG 20 12.356 10.789 -1.128 173 2HH2 ARG 20 2HH2 ARG 20 13.522 11.668 -0.196 174 HA PRO 21 HA PRO 21 4.437 13.347 0.253 175 1HB PRO 21 2HB PRO 21 6.276 15.208 1.653 176 2HB PRO 21 1HB PRO 21 4.540 15.352 1.359 177 1HG PRO 21 2HG PRO 21 5.476 14.786 3.794 178 2HG PRO 21 1HG PRO 21 3.987 14.040 3.187 179 1HD PRO 21 2HD PRO 21 6.735 12.879 3.413 180 2HD PRO 21 1HD PRO 21 5.161 12.118 3.722 181 H LYS 22 H LYS 22 5.288 12.979 -1.727 182 HA LYS 22 HA LYS 22 8.051 12.849 -2.298 183 1HB LYS 22 2HB LYS 22 5.995 11.932 -3.622 184 2HB LYS 22 1HB LYS 22 6.016 13.510 -4.398 185 1HG LYS 22 2HG LYS 22 8.365 13.110 -5.059 186 2HG LYS 22 1HG LYS 22 8.250 11.491 -4.367 187 1HD LYS 22 2HD LYS 22 7.394 10.745 -6.275 188 2HD LYS 22 1HD LYS 22 6.029 11.848 -6.090 189 1HE LYS 22 2HE LYS 22 7.128 12.203 -8.229 190 2HE LYS 22 1HE LYS 22 7.319 13.617 -7.193 191 1HZ LYS 22 1HZ LYS 22 9.490 13.451 -7.514 192 2HZ LYS 22 2HZ LYS 22 9.317 12.005 -8.373 193 3HZ LYS 22 3HZ LYS 22 9.490 11.973 -6.691 194 H ASN 23 H ASN 23 5.861 15.484 -2.020 195 HA ASN 23 HA ASN 23 7.538 17.320 -3.520 196 1HB ASN 23 2HB ASN 23 4.936 17.351 -3.321 197 2HB ASN 23 1HB ASN 23 5.234 18.162 -1.787 198 1HD2 ASN 23 1HD2 ASN 23 6.559 20.117 -1.860 199 2HD2 ASN 23 2HD2 ASN 23 6.445 21.143 -3.245 200 H SER 24 H SER 24 7.240 16.155 -0.334 201 HA SER 24 HA SER 24 9.013 18.295 0.642 202 1HB SER 24 2HB SER 24 7.345 16.817 2.608 203 2HB SER 24 1HB SER 24 7.850 18.507 2.603 204 HG SER 24 HG SER 24 6.320 18.525 0.642 205 H VAL 25 H VAL 25 9.456 17.036 3.172 206 HA VAL 25 HA VAL 25 10.407 14.374 2.819 207 HB VAL 25 HB VAL 25 12.134 15.588 1.524 208 1HG1 VAL 25 1HG1 VAL 25 11.916 17.540 3.405 209 2HG1 VAL 25 2HG1 VAL 25 13.251 17.389 2.263 210 3HG1 VAL 25 3HG1 VAL 25 13.411 16.744 3.896 211 1HG2 VAL 25 1HG2 VAL 25 12.507 13.702 3.586 212 2HG2 VAL 25 2HG2 VAL 25 13.877 14.811 3.649 213 3HG2 VAL 25 3HG2 VAL 25 13.501 13.958 2.152 214 H GLY 26 H GLY 26 10.807 13.407 4.767 215 1HA GLY 26 2HA GLY 26 11.617 14.775 7.106 216 2HA GLY 26 1HA GLY 26 9.870 14.594 7.109 217 H ARG 27 H ARG 27 9.260 12.203 6.343 218 HA ARG 27 HA ARG 27 11.032 10.138 7.205 219 1HB ARG 27 2HB ARG 27 9.518 9.387 9.104 220 2HB ARG 27 1HB ARG 27 10.527 10.791 9.418 221 1HG ARG 27 2HG ARG 27 8.432 12.132 8.660 222 2HG ARG 27 1HG ARG 27 7.575 10.632 9.023 223 1HD ARG 27 2HD ARG 27 8.386 10.661 11.291 224 2HD ARG 27 1HD ARG 27 9.404 12.060 10.949 225 HE ARG 27 HE ARG 27 6.460 12.090 11.067 226 1HH1 ARG 27 1HH1 ARG 27 9.542 13.712 11.215 227 2HH1 ARG 27 2HH1 ARG 27 8.866 15.226 11.716 228 1HH2 ARG 27 1HH2 ARG 27 5.562 14.080 11.732 229 2HH2 ARG 27 2HH2 ARG 27 6.605 15.435 12.010 230 H TRP 28 H TRP 28 10.101 8.009 7.004 231 HA TRP 28 HA TRP 28 8.005 7.950 4.976 232 1HB TRP 28 2HB TRP 28 9.936 5.864 6.002 233 2HB TRP 28 1HB TRP 28 8.655 5.498 4.853 234 HD1 TRP 28 HD TRP 28 11.806 7.741 5.107 235 HE1 TRP 28 1HE TRP 28 12.765 8.028 2.736 236 HE3 TRP 28 3HE TRP 28 8.187 5.281 2.461 237 HZ2 TRP 28 2HZ TRP 28 12.080 7.308 0.095 238 HZ3 TRP 28 3HZ TRP 28 8.415 5.127 0.015 239 HH2 TRP 28 HH TRP 28 10.322 6.121 -1.142 240 H LYS 29 H LYS 29 6.526 5.941 5.131 241 HA LYS 29 HA LYS 29 5.646 5.491 7.900 242 1HB LYS 29 2HB LYS 29 3.894 6.230 5.545 243 2HB LYS 29 1HB LYS 29 3.276 5.606 7.068 244 1HG LYS 29 2HG LYS 29 4.810 7.675 7.928 245 2HG LYS 29 1HG LYS 29 4.233 8.285 6.376 246 1HD LYS 29 2HD LYS 29 2.064 8.364 7.057 247 2HD LYS 29 1HD LYS 29 2.242 6.982 8.141 248 1HE LYS 29 2HE LYS 29 1.946 8.793 9.584 249 2HE LYS 29 1HE LYS 29 3.691 8.543 9.571 250 1HZ LYS 29 1HZ LYS 29 3.917 10.638 8.942 251 2HZ LYS 29 2HZ LYS 29 2.241 10.846 8.856 252 3HZ LYS 29 3HZ LYS 29 3.095 10.301 7.502 253 H GLU 30 H GLU 30 5.373 3.357 8.321 254 HA GLU 30 HA GLU 30 5.177 1.569 5.989 255 1HB GLU 30 2HB GLU 30 6.304 0.447 8.470 256 2HB GLU 30 1HB GLU 30 6.795 0.213 6.797 257 1HG GLU 30 2HG GLU 30 8.292 1.897 6.857 258 2HG GLU 30 1HG GLU 30 7.307 2.883 7.936 259 H ALA 31 H ALA 31 3.593 0.173 5.891 260 HA ALA 31 HA ALA 31 2.140 -0.599 8.314 261 1HB ALA 31 1HB ALA 31 0.832 1.213 7.396 262 2HB ALA 31 2HB ALA 31 -0.014 -0.310 7.120 263 3HB ALA 31 3HB ALA 31 0.857 0.467 5.799 264 H THR 32 H THR 32 2.393 -2.732 8.379 265 HA THR 32 HA THR 32 2.634 -4.251 5.903 266 HB THR 32 HB THR 32 2.878 -5.361 8.692 267 HG1 THR 32 1HG THR 32 4.325 -3.494 8.167 268 1HG2 THR 32 1HG2 THR 32 3.858 -6.223 5.976 269 2HG2 THR 32 2HG2 THR 32 2.735 -7.071 7.040 270 3HG2 THR 32 3HG2 THR 32 4.437 -6.931 7.483 271 H ILE 33 H ILE 33 1.126 -5.549 5.110 272 HA ILE 33 HA ILE 33 -1.088 -6.407 6.824 273 HB ILE 33 HB ILE 33 -1.471 -5.261 4.055 274 1HG1 ILE 33 2HG1 ILE 33 -2.973 -3.716 5.705 275 2HG1 ILE 33 1HG1 ILE 33 -1.616 -4.086 6.765 276 1HG2 ILE 33 1HG2 ILE 33 -3.526 -6.122 4.054 277 2HG2 ILE 33 2HG2 ILE 33 -3.827 -5.601 5.711 278 3HG2 ILE 33 3HG2 ILE 33 -3.000 -7.128 5.404 279 1HD1 ILE 33 1HD1 ILE 33 -0.145 -2.880 5.530 280 2HD1 ILE 33 2HD1 ILE 33 -1.623 -1.987 5.169 281 3HD1 ILE 33 3HD1 ILE 33 -1.003 -3.170 4.016 282 HA PRO 34 HA PRO 34 0.494 -10.301 5.139 283 1HB PRO 34 2HB PRO 34 -2.151 -11.057 6.319 284 2HB PRO 34 1HB PRO 34 -0.593 -11.876 6.440 285 1HG PRO 34 2HG PRO 34 -1.496 -10.414 8.460 286 2HG PRO 34 1HG PRO 34 0.222 -10.387 8.021 287 1HD PRO 34 2HD PRO 34 -1.880 -8.334 7.571 288 2HD PRO 34 1HD PRO 34 -0.138 -8.130 7.837 289 H GLY 35 H GLY 35 0.216 -9.716 2.923 290 1HA GLY 35 2HA GLY 35 -0.840 -9.638 0.865 291 2HA GLY 35 1HA GLY 35 -1.331 -11.252 1.350 292 H HIS 36 H HIS 36 -2.382 -8.116 2.655 293 HA HIS 36 HA HIS 36 -4.462 -7.225 2.935 294 1HB HIS 36 2HB HIS 36 -4.070 -7.493 0.267 295 2HB HIS 36 1HB HIS 36 -5.535 -8.450 0.462 296 HD2 HIS 36 2HD HIS 36 -7.197 -6.616 2.513 297 HE1 HIS 36 1HE HIS 36 -6.493 -3.532 -0.298 298 HE2 HIS 36 2HE HIS 36 -8.016 -4.348 1.558 299 H LEU 37 H LEU 37 -4.174 -9.495 4.369 300 HA LEU 37 HA LEU 37 -6.181 -11.441 3.859 301 1HB LEU 37 2HB LEU 37 -5.592 -12.419 5.939 302 2HB LEU 37 1HB LEU 37 -4.118 -11.861 5.182 303 HG LEU 37 HG LEU 37 -3.833 -11.339 7.434 304 1HD1 LEU 37 1HD1 LEU 37 -4.761 -8.932 5.918 305 2HD1 LEU 37 2HD1 LEU 37 -3.121 -9.430 6.346 306 3HD1 LEU 37 3HD1 LEU 37 -4.205 -8.801 7.588 307 1HD2 LEU 37 1HD2 LEU 37 -6.162 -9.766 8.062 308 2HD2 LEU 37 2HD2 LEU 37 -5.485 -11.163 8.898 309 3HD2 LEU 37 3HD2 LEU 37 -6.612 -11.395 7.561 310 H ASN 38 H ASN 38 -6.214 -8.364 5.435 311 HA ASN 38 HA ASN 38 -9.035 -8.816 6.118 312 1HB ASN 38 2HB ASN 38 -8.816 -7.666 8.219 313 2HB ASN 38 1HB ASN 38 -7.610 -8.947 8.171 314 1HD2 ASN 38 1HD2 ASN 38 -8.108 -5.490 7.796 315 2HD2 ASN 38 2HD2 ASN 38 -6.486 -5.029 8.170 316 H SER 39 H SER 39 -10.172 -6.690 6.570 317 HA SER 39 HA SER 39 -9.687 -4.940 4.340 318 1HB SER 39 2HB SER 39 -11.975 -5.361 4.790 319 2HB SER 39 1HB SER 39 -11.783 -5.019 6.509 320 HG SER 39 HG SER 39 -12.763 -3.322 5.140 321 H TYR 40 H TYR 40 -8.030 -3.561 4.510 322 HA TYR 40 HA TYR 40 -7.855 -1.937 6.956 323 1HB TYR 40 2HB TYR 40 -5.518 -1.980 6.910 324 2HB TYR 40 1HB TYR 40 -5.959 -3.626 6.484 325 HD1 TYR 40 1HD TYR 40 -5.530 -4.494 4.261 326 HD2 TYR 40 2HD TYR 40 -4.555 -0.470 5.253 327 HE1 TYR 40 1HE TYR 40 -4.166 -4.322 2.220 328 HE2 TYR 40 2HE TYR 40 -3.192 -0.288 3.218 329 HH TYR 40 HH TYR 40 -1.977 -1.819 1.674 330 H THR 41 H THR 41 -7.964 0.209 6.716 331 HA THR 41 HA THR 41 -8.095 1.256 3.979 332 HB THR 41 HB THR 41 -10.061 1.643 5.433 333 HG1 THR 41 1HG THR 41 -9.885 4.093 5.168 334 1HG2 THR 41 1HG2 THR 41 -8.924 3.780 7.009 335 2HG2 THR 41 2HG2 THR 41 -8.146 2.239 7.376 336 3HG2 THR 41 3HG2 THR 41 -9.896 2.402 7.524 337 H ILE 42 H ILE 42 -6.907 3.039 3.324 338 HA ILE 42 HA ILE 42 -4.477 3.527 4.850 339 HB ILE 42 HB ILE 42 -5.296 3.915 2.016 340 1HG1 ILE 42 2HG1 ILE 42 -2.589 3.202 3.124 341 2HG1 ILE 42 1HG1 ILE 42 -3.884 2.012 3.022 342 1HG2 ILE 42 1HG2 ILE 42 -4.539 6.033 1.973 343 2HG2 ILE 42 2HG2 ILE 42 -2.946 5.275 2.007 344 3HG2 ILE 42 3HG2 ILE 42 -3.675 5.862 3.502 345 1HD1 ILE 42 1HD1 ILE 42 -2.357 3.344 0.842 346 2HD1 ILE 42 2HD1 ILE 42 -3.996 2.770 0.532 347 3HD1 ILE 42 3HD1 ILE 42 -2.751 1.640 1.067 348 H LYS 43 H LYS 43 -3.940 5.448 5.781 349 HA LYS 43 HA LYS 43 -5.934 7.228 6.572 350 1HB LYS 43 2HB LYS 43 -3.531 6.803 7.504 351 2HB LYS 43 1HB LYS 43 -3.069 8.091 6.402 352 1HG LYS 43 2HG LYS 43 -3.602 9.528 8.002 353 2HG LYS 43 1HG LYS 43 -5.290 9.084 7.745 354 1HD LYS 43 2HD LYS 43 -3.735 7.245 9.443 355 2HD LYS 43 1HD LYS 43 -4.008 8.855 10.114 356 1HE LYS 43 2HE LYS 43 -6.412 8.598 9.744 357 2HE LYS 43 1HE LYS 43 -6.139 6.991 9.072 358 1HZ LYS 43 1HZ LYS 43 -5.288 7.709 11.814 359 2HZ LYS 43 2HZ LYS 43 -5.482 6.167 11.147 360 3HZ LYS 43 3HZ LYS 43 -6.839 7.118 11.483 361 H GLY 44 H GLY 44 -6.946 8.819 5.551 362 1HA GLY 44 2HA GLY 44 -6.569 9.471 2.877 363 2HA GLY 44 1HA GLY 44 -7.439 10.467 4.032 364 H LEU 45 H LEU 45 -5.635 11.170 1.780 365 HA LEU 45 HA LEU 45 -3.480 12.536 3.234 366 1HB LEU 45 2HB LEU 45 -3.730 12.411 0.241 367 2HB LEU 45 1HB LEU 45 -2.294 12.684 1.212 368 HG LEU 45 HG LEU 45 -3.775 10.057 1.099 369 1HD1 LEU 45 1HD1 LEU 45 -2.039 11.255 -0.821 370 2HD1 LEU 45 2HD1 LEU 45 -2.805 9.666 -0.852 371 3HD1 LEU 45 3HD1 LEU 45 -1.229 9.870 -0.088 372 1HD2 LEU 45 1HD2 LEU 45 -1.978 9.141 2.295 373 2HD2 LEU 45 2HD2 LEU 45 -2.355 10.648 3.131 374 3HD2 LEU 45 3HD2 LEU 45 -0.970 10.566 2.041 375 H LYS 46 H LYS 46 -2.909 14.742 2.173 376 HA LYS 46 HA LYS 46 -5.349 16.318 2.201 377 1HB LYS 46 2HB LYS 46 -3.575 16.983 3.739 378 2HB LYS 46 1HB LYS 46 -2.461 17.170 2.391 379 1HG LYS 46 2HG LYS 46 -4.048 18.915 1.487 380 2HG LYS 46 1HG LYS 46 -4.868 18.840 3.048 381 1HD LYS 46 2HD LYS 46 -3.374 20.259 3.880 382 2HD LYS 46 1HD LYS 46 -2.098 19.081 3.563 383 1HE LYS 46 2HE LYS 46 -1.468 21.087 2.463 384 2HE LYS 46 1HE LYS 46 -2.009 19.966 1.213 385 1HZ LYS 46 1HZ LYS 46 -3.809 21.222 0.738 386 2HZ LYS 46 2HZ LYS 46 -2.840 22.465 1.349 387 3HZ LYS 46 3HZ LYS 46 -4.020 21.755 2.331 388 HA PRO 47 HA PRO 47 -5.284 16.670 -2.246 389 1HB PRO 47 2HB PRO 47 -6.967 19.054 -1.724 390 2HB PRO 47 1HB PRO 47 -7.305 17.635 -2.719 391 1HG PRO 47 2HG PRO 47 -8.513 17.984 -0.365 392 2HG PRO 47 1HG PRO 47 -8.017 16.371 -0.916 393 1HD PRO 47 2HD PRO 47 -6.721 18.175 1.089 394 2HD PRO 47 1HD PRO 47 -6.919 16.411 1.121 395 H GLY 48 H GLY 48 -3.406 17.413 -3.051 396 1HA GLY 48 2HA GLY 48 -2.591 19.505 -4.163 397 2HA GLY 48 1HA GLY 48 -2.742 20.253 -2.581 398 H VAL 49 H VAL 49 -1.751 17.274 -1.838 399 HA VAL 49 HA VAL 49 1.102 17.989 -2.054 400 HB VAL 49 HB VAL 49 0.215 16.126 0.082 401 1HG1 VAL 49 1HG1 VAL 49 2.468 17.906 -0.517 402 2HG1 VAL 49 2HG1 VAL 49 2.424 16.386 0.376 403 3HG1 VAL 49 3HG1 VAL 49 1.967 17.890 1.173 404 1HG2 VAL 49 1HG2 VAL 49 -1.436 17.721 0.501 405 2HG2 VAL 49 2HG2 VAL 49 -0.384 19.064 0.053 406 3HG2 VAL 49 3HG2 VAL 49 -0.111 18.196 1.564 407 H VAL 50 H VAL 50 2.484 16.510 -2.864 408 HA VAL 50 HA VAL 50 1.371 14.138 -4.074 409 HB VAL 50 HB VAL 50 4.289 14.893 -4.000 410 1HG1 VAL 50 1HG1 VAL 50 2.695 13.375 -6.060 411 2HG1 VAL 50 2HG1 VAL 50 3.653 12.623 -4.784 412 3HG1 VAL 50 3HG1 VAL 50 4.444 13.602 -6.020 413 1HG2 VAL 50 1HG2 VAL 50 2.047 16.124 -5.490 414 2HG2 VAL 50 2HG2 VAL 50 3.524 15.804 -6.398 415 3HG2 VAL 50 3HG2 VAL 50 3.578 16.822 -4.959 416 H TYR 51 H TYR 51 1.651 12.055 -3.445 417 HA TYR 51 HA TYR 51 3.368 11.544 -1.112 418 1HB TYR 51 2HB TYR 51 0.466 11.098 -1.401 419 2HB TYR 51 1HB TYR 51 1.366 9.737 -0.740 420 HD1 TYR 51 1HD TYR 51 3.017 10.340 1.221 421 HD2 TYR 51 2HD TYR 51 -0.288 12.745 0.039 422 HE1 TYR 51 1HE TYR 51 3.006 11.404 3.439 423 HE2 TYR 51 2HE TYR 51 -0.308 13.815 2.253 424 HH TYR 51 HH TYR 51 1.407 12.600 4.899 425 H GLU 52 H GLU 52 4.972 10.503 -2.212 426 HA GLU 52 HA GLU 52 4.306 8.404 -4.092 427 1HB GLU 52 2HB GLU 52 6.573 8.382 -4.713 428 2HB GLU 52 1HB GLU 52 6.218 10.074 -4.396 429 1HG GLU 52 2HG GLU 52 7.507 10.133 -2.503 430 2HG GLU 52 1HG GLU 52 7.342 8.404 -2.203 431 H GLY 53 H GLY 53 4.347 6.289 -3.694 432 1HA GLY 53 2HA GLY 53 5.639 5.326 -1.247 433 2HA GLY 53 1HA GLY 53 3.930 4.994 -1.474 434 H GLN 54 H GLN 54 6.048 3.103 -1.187 435 HA GLN 54 HA GLN 54 5.801 1.720 -3.770 436 1HB GLN 54 2HB GLN 54 8.082 0.677 -2.562 437 2HB GLN 54 1HB GLN 54 8.032 1.766 -3.941 438 1HG GLN 54 2HG GLN 54 8.129 3.680 -2.386 439 2HG GLN 54 1HG GLN 54 8.286 2.544 -1.046 440 1HE2 GLN 54 1HE2 GLN 54 9.787 3.541 -4.081 441 2HE2 GLN 54 2HE2 GLN 54 11.406 3.161 -3.613 442 H LEU 55 H LEU 55 5.091 -0.333 -3.684 443 HA LEU 55 HA LEU 55 4.434 -1.397 -1.037 444 1HB LEU 55 2HB LEU 55 2.726 -1.092 -2.940 445 2HB LEU 55 1HB LEU 55 3.486 -2.494 -3.668 446 HG LEU 55 HG LEU 55 2.983 -3.732 -1.508 447 1HD1 LEU 55 1HD1 LEU 55 1.655 -1.130 -0.988 448 2HD1 LEU 55 2HD1 LEU 55 2.474 -2.228 0.122 449 3HD1 LEU 55 3HD1 LEU 55 0.847 -2.602 -0.448 450 1HD2 LEU 55 1HD2 LEU 55 0.554 -2.751 -2.990 451 2HD2 LEU 55 2HD2 LEU 55 0.796 -4.314 -2.208 452 3HD2 LEU 55 3HD2 LEU 55 1.702 -3.909 -3.665 453 H ILE 56 H ILE 56 6.014 -2.645 -0.234 454 HA ILE 56 HA ILE 56 7.465 -4.414 -2.066 455 HB ILE 56 HB ILE 56 8.153 -3.573 0.757 456 1HG1 ILE 56 2HG1 ILE 56 10.243 -2.923 -0.937 457 2HG1 ILE 56 1HG1 ILE 56 8.824 -2.601 -1.917 458 1HG2 ILE 56 1HG2 ILE 56 9.980 -4.972 0.727 459 2HG2 ILE 56 2HG2 ILE 56 10.002 -5.063 -1.034 460 3HG2 ILE 56 3HG2 ILE 56 8.787 -5.960 -0.121 461 1HD1 ILE 56 1HD1 ILE 56 9.963 -0.963 0.049 462 2HD1 ILE 56 2HD1 ILE 56 8.416 -1.516 0.691 463 3HD1 ILE 56 3HD1 ILE 56 8.481 -0.688 -0.865 464 H SER 57 H SER 57 6.764 -6.407 -2.217 465 HA SER 57 HA SER 57 5.110 -7.621 -0.204 466 1HB SER 57 2HB SER 57 4.357 -8.726 -2.005 467 2HB SER 57 1HB SER 57 5.600 -7.956 -2.994 468 HG SER 57 HG SER 57 6.164 -10.000 -3.197 469 H ILE 58 H ILE 58 5.985 -8.481 1.523 470 HA ILE 58 HA ILE 58 8.664 -9.672 1.348 471 HB ILE 58 HB ILE 58 7.170 -8.866 3.843 472 1HG1 ILE 58 2HG1 ILE 58 9.505 -7.415 2.607 473 2HG1 ILE 58 1HG1 ILE 58 7.843 -7.012 2.189 474 1HG2 ILE 58 1HG2 ILE 58 8.800 -9.849 4.989 475 2HG2 ILE 58 2HG2 ILE 58 10.030 -8.981 4.069 476 3HG2 ILE 58 3HG2 ILE 58 9.402 -10.518 3.473 477 1HD1 ILE 58 1HD1 ILE 58 7.658 -6.900 4.851 478 2HD1 ILE 58 2HD1 ILE 58 8.126 -5.523 3.852 479 3HD1 ILE 58 3HD1 ILE 58 9.362 -6.488 4.659 480 H GLN 59 H GLN 59 8.929 -11.770 1.490 481 HA GLN 59 HA GLN 59 6.701 -13.431 2.467 482 1HB GLN 59 2HB GLN 59 8.184 -13.531 0.039 483 2HB GLN 59 1HB GLN 59 8.582 -14.971 0.967 484 1HG GLN 59 2HG GLN 59 6.150 -15.415 1.208 485 2HG GLN 59 1HG GLN 59 5.846 -14.052 0.132 486 1HE2 GLN 59 1HE2 GLN 59 7.767 -17.031 0.278 487 2HE2 GLN 59 2HE2 GLN 59 7.529 -17.468 -1.376 488 H GLN 60 H GLN 60 7.832 -15.795 2.913 489 HA GLN 60 HA GLN 60 9.123 -15.485 5.382 490 1HB GLN 60 2HB GLN 60 9.610 -17.972 5.120 491 2HB GLN 60 1HB GLN 60 7.921 -17.486 5.056 492 1HG GLN 60 2HG GLN 60 7.674 -18.166 2.940 493 2HG GLN 60 1HG GLN 60 9.255 -17.557 2.453 494 1HE2 GLN 60 1HE2 GLN 60 8.488 -19.875 1.405 495 2HE2 GLN 60 2HE2 GLN 60 9.348 -21.200 2.105 496 H TYR 61 H TYR 61 10.400 -15.062 2.318 497 HA TYR 61 HA TYR 61 13.091 -15.931 3.079 498 1HB TYR 61 2HB TYR 61 11.893 -15.056 0.452 499 2HB TYR 61 1HB TYR 61 13.624 -15.287 0.673 500 HD1 TYR 61 1HD TYR 61 10.689 -16.825 -0.409 501 HD2 TYR 61 2HD TYR 61 14.240 -17.645 1.788 502 HE1 TYR 61 1HE TYR 61 10.423 -19.223 -0.885 503 HE2 TYR 61 2HE TYR 61 13.985 -20.044 1.317 504 HH TYR 61 HH TYR 61 11.485 -21.236 -0.850 505 H GLY 62 H GLY 62 11.213 -13.221 3.333 506 1HA GLY 62 2HA GLY 62 11.708 -11.078 3.999 507 2HA GLY 62 1HA GLY 62 13.386 -11.576 4.129 508 H HIS 63 H HIS 63 11.137 -9.745 2.400 509 HA HIS 63 HA HIS 63 11.285 -8.338 0.622 510 1HB HIS 63 2HB HIS 63 14.265 -8.767 0.890 511 2HB HIS 63 1HB HIS 63 13.478 -7.445 0.034 512 HD2 HIS 63 2HD HIS 63 11.948 -5.713 1.813 513 HE1 HIS 63 1HE HIS 63 14.433 -6.710 5.090 514 HE2 HIS 63 2HE HIS 63 12.569 -5.195 4.277 515 H GLN 64 H GLN 64 10.653 -8.879 -1.365 516 HA GLN 64 HA GLN 64 12.376 -10.419 -3.087 517 1HB GLN 64 2HB GLN 64 9.964 -11.803 -3.406 518 2HB GLN 64 1HB GLN 64 11.466 -12.423 -2.737 519 1HG GLN 64 2HG GLN 64 10.146 -10.995 -0.682 520 2HG GLN 64 1HG GLN 64 8.958 -12.046 -1.457 521 1HE2 GLN 64 1HE2 GLN 64 9.961 -14.304 -1.962 522 2HE2 GLN 64 2HE2 GLN 64 10.770 -15.046 -0.628 523 H GLU 65 H GLU 65 9.622 -8.397 -2.574 524 HA GLU 65 HA GLU 65 9.588 -7.795 -5.433 525 1HB GLU 65 2HB GLU 65 7.635 -9.415 -4.233 526 2HB GLU 65 1HB GLU 65 6.880 -7.841 -4.436 527 1HG GLU 65 2HG GLU 65 7.995 -8.105 -6.856 528 2HG GLU 65 1HG GLU 65 7.750 -9.804 -6.458 529 H VAL 66 H VAL 66 9.778 -5.674 -5.672 530 HA VAL 66 HA VAL 66 8.253 -3.961 -3.877 531 HB VAL 66 HB VAL 66 10.163 -3.615 -2.801 532 1HG1 VAL 66 1HG1 VAL 66 12.203 -4.292 -3.349 533 2HG1 VAL 66 2HG1 VAL 66 12.092 -3.686 -5.004 534 3HG1 VAL 66 3HG1 VAL 66 11.303 -5.203 -4.562 535 1HG2 VAL 66 1HG2 VAL 66 10.734 -1.472 -3.159 536 2HG2 VAL 66 2HG2 VAL 66 9.542 -1.555 -4.458 537 3HG2 VAL 66 3HG2 VAL 66 11.254 -1.792 -4.815 538 H THR 67 H THR 67 7.248 -2.313 -4.819 539 HA THR 67 HA THR 67 8.083 -1.442 -7.492 540 HB THR 67 HB THR 67 5.269 -2.251 -6.730 541 HG1 THR 67 1HG THR 67 7.004 -3.799 -7.560 542 1HG2 THR 67 1HG2 THR 67 5.095 -1.670 -9.351 543 2HG2 THR 67 2HG2 THR 67 6.297 -0.475 -8.862 544 3HG2 THR 67 3HG2 THR 67 4.717 -0.509 -8.078 545 H ARG 68 H ARG 68 8.127 0.720 -7.667 546 HA ARG 68 HA ARG 68 6.987 2.289 -5.477 547 1HB ARG 68 2HB ARG 68 8.532 3.735 -7.505 548 2HB ARG 68 1HB ARG 68 8.682 3.746 -5.753 549 1HG ARG 68 2HG ARG 68 9.864 1.569 -5.899 550 2HG ARG 68 1HG ARG 68 9.808 1.716 -7.654 551 1HD ARG 68 2HD ARG 68 11.139 3.643 -5.755 552 2HD ARG 68 1HD ARG 68 11.962 2.456 -6.766 553 HE ARG 68 HE ARG 68 10.294 4.343 -8.189 554 1HH1 ARG 68 1HH1 ARG 68 13.483 3.592 -7.000 555 2HH1 ARG 68 2HH1 ARG 68 14.286 4.648 -8.112 556 1HH2 ARG 68 1HH2 ARG 68 11.345 5.730 -9.662 557 2HH2 ARG 68 2HH2 ARG 68 13.072 5.863 -9.626 558 H PHE 69 H PHE 69 5.673 4.055 -5.798 559 HA PHE 69 HA PHE 69 4.680 4.732 -8.422 560 1HB PHE 69 2HB PHE 69 2.278 4.289 -7.731 561 2HB PHE 69 1HB PHE 69 3.249 2.869 -8.103 562 HD1 PHE 69 1HD PHE 69 1.686 4.820 -5.411 563 HD2 PHE 69 2HD PHE 69 3.779 1.256 -6.427 564 HE1 PHE 69 1HE PHE 69 1.119 3.865 -3.214 565 HE2 PHE 69 2HE PHE 69 3.218 0.295 -4.234 566 HZ PHE 69 HZ PHE 69 1.885 1.597 -2.623 567 H ASP 70 H ASP 70 3.200 6.556 -8.395 568 HA ASP 70 HA ASP 70 3.512 8.191 -5.961 569 1HB ASP 70 2HB ASP 70 3.426 10.169 -7.411 570 2HB ASP 70 1HB ASP 70 4.738 9.099 -7.891 571 H PHE 71 H PHE 71 1.692 8.784 -4.934 572 HA PHE 71 HA PHE 71 -0.806 8.993 -6.421 573 1HB PHE 71 2HB PHE 71 -1.936 7.295 -5.379 574 2HB PHE 71 1HB PHE 71 -0.317 6.600 -5.382 575 HD1 PHE 71 1HD PHE 71 -3.120 7.362 -3.411 576 HD2 PHE 71 2HD PHE 71 1.131 7.151 -3.247 577 HE1 PHE 71 1HE PHE 71 -3.230 7.133 -0.965 578 HE2 PHE 71 2HE PHE 71 1.024 6.916 -0.800 579 HZ PHE 71 HZ PHE 71 -1.157 6.909 0.344 580 H THR 72 H THR 72 -2.569 9.908 -5.149 581 HA THR 72 HA THR 72 -1.854 11.233 -2.669 582 HB THR 72 HB THR 72 -2.119 13.423 -3.316 583 HG1 THR 72 1HG THR 72 -3.387 14.067 -5.071 584 1HG2 THR 72 1HG2 THR 72 -0.178 13.137 -4.475 585 2HG2 THR 72 2HG2 THR 72 -1.225 13.585 -5.822 586 3HG2 THR 72 3HG2 THR 72 -0.856 11.887 -5.519 587 H THR 73 H THR 73 -3.816 12.381 -1.746 588 HA THR 73 HA THR 73 -5.929 10.640 -1.433 589 HB THR 73 HB THR 73 -5.800 12.305 0.193 590 HG1 THR 73 1HG THR 73 -8.001 11.925 -0.690 591 1HG2 THR 73 1HG2 THR 73 -5.464 14.144 -2.124 592 2HG2 THR 73 2HG2 THR 73 -4.553 14.047 -0.618 593 3HG2 THR 73 3HG2 THR 73 -6.151 14.793 -0.635 594 H THR 74 H THR 74 -5.898 13.569 -3.469 595 HA THR 74 HA THR 74 -7.412 12.331 -5.535 596 HB THR 74 HB THR 74 -9.357 12.598 -4.247 597 HG1 THR 74 1HG THR 74 -9.197 13.796 -6.433 598 1HG2 THR 74 1HG2 THR 74 -8.667 13.899 -2.410 599 2HG2 THR 74 2HG2 THR 74 -9.909 14.864 -3.206 600 3HG2 THR 74 3HG2 THR 74 -8.205 15.257 -3.437 601 H SER 75 H SER 75 -5.395 13.207 -6.441 602 HA SER 75 HA SER 75 -5.860 15.569 -7.907 603 1HB SER 75 2HB SER 75 -4.877 16.093 -5.345 604 2HB SER 75 1HB SER 75 -3.463 16.208 -6.393 605 HG SER 75 HG SER 75 -5.557 17.906 -6.141 606 H THR 76 H THR 76 -3.738 13.071 -6.777 607 HA THR 76 HA THR 76 -1.998 11.949 -7.714 608 HB THR 76 HB THR 76 -2.555 12.809 -10.478 609 HG1 THR 76 1HG THR 76 -4.547 11.607 -8.836 610 1HG2 THR 76 1HG2 THR 76 -1.729 10.775 -10.867 611 2HG2 THR 76 2HG2 THR 76 -2.994 10.029 -9.889 612 3HG2 THR 76 3HG2 THR 76 -1.500 10.579 -9.129 613 H SER 77 H SER 77 -0.337 12.360 -9.835 614 HA SER 77 HA SER 77 0.657 15.103 -9.629 615 1HB SER 77 2HB SER 77 1.755 13.104 -8.071 616 2HB SER 77 1HB SER 77 2.823 13.141 -9.474 617 HG SER 77 HG SER 77 2.682 15.569 -9.039 618 H THR 78 H THR 78 2.214 15.659 -11.275 619 HA THR 78 HA THR 78 1.944 13.962 -13.662 620 HB THR 78 HB THR 78 2.820 16.676 -14.220 621 HG1 THR 78 1HG THR 78 0.335 17.179 -13.743 622 1HG2 THR 78 1HG2 THR 78 1.548 14.670 -15.552 623 2HG2 THR 78 2HG2 THR 78 1.590 16.352 -16.081 624 3HG2 THR 78 3HG2 THR 78 0.202 15.746 -15.177 625 HA PRO 79 HA PRO 79 6.525 15.217 -13.735 626 1HB PRO 79 2HB PRO 79 7.569 16.958 -12.007 627 2HB PRO 79 1HB PRO 79 6.600 17.511 -13.379 628 1HG PRO 79 2HG PRO 79 5.836 17.241 -10.505 629 2HG PRO 79 1HG PRO 79 5.401 18.505 -11.668 630 1HD PRO 79 2HD PRO 79 3.794 16.347 -10.953 631 2HD PRO 79 1HD PRO 79 3.594 17.338 -12.410 632 H GLY 80 H GLY 80 8.512 14.500 -12.694 633 1HA GLY 80 2HA GLY 80 9.034 13.848 -10.128 634 2HA GLY 80 1HA GLY 80 7.973 12.542 -10.631 635 H SER 81 H SER 81 9.886 11.224 -10.101 636 HA SER 81 HA SER 81 12.248 11.401 -11.672 637 1HB SER 81 2HB SER 81 12.781 9.180 -10.721 638 2HB SER 81 1HB SER 81 12.271 10.325 -9.480 639 HG SER 81 HG SER 81 11.300 7.995 -9.775 640 H ARG 82 H ARG 82 9.179 10.525 -12.528 641 HA ARG 82 HA ARG 82 9.522 8.234 -14.104 642 1HB ARG 82 2HB ARG 82 7.632 10.493 -14.755 643 2HB ARG 82 1HB ARG 82 7.443 8.785 -15.129 644 1HG ARG 82 2HG ARG 82 7.481 8.490 -12.547 645 2HG ARG 82 1HG ARG 82 7.071 10.206 -12.534 646 1HD ARG 82 2HD ARG 82 5.515 7.899 -13.647 647 2HD ARG 82 1HD ARG 82 5.000 9.130 -12.496 648 HE ARG 82 HE ARG 82 5.519 10.536 -14.764 649 1HH1 ARG 82 1HH1 ARG 82 3.529 7.771 -14.023 650 2HH1 ARG 82 2HH1 ARG 82 2.353 8.130 -15.243 651 1HH2 ARG 82 1HH2 ARG 82 3.971 11.016 -16.369 652 2HH2 ARG 82 2HH2 ARG 82 2.603 9.975 -16.575 653 H SER 83 H SER 83 11.172 8.119 -15.522 654 HA SER 83 HA SER 83 11.956 10.366 -17.140 655 1HB SER 83 2HB SER 83 13.618 8.814 -18.094 656 2HB SER 83 1HB SER 83 13.640 8.775 -16.332 657 HG SER 83 HG SER 83 13.523 6.689 -16.745 658 H HIS 84 H HIS 84 12.548 9.286 -19.582 659 HA HIS 84 HA HIS 84 9.896 9.104 -20.761 660 1HB HIS 84 2HB HIS 84 12.259 10.341 -21.541 661 2HB HIS 84 1HB HIS 84 12.124 8.964 -22.631 662 HD2 HIS 84 2HD HIS 84 11.492 10.588 -24.786 663 HE1 HIS 84 1HE HIS 84 7.794 11.886 -23.187 664 HE2 HIS 84 2HE HIS 84 9.196 11.685 -25.290 665 H HIS 85 H HIS 85 9.514 6.939 -19.906 666 HA HIS 85 HA HIS 85 11.086 4.738 -20.855 667 1HB HIS 85 2HB HIS 85 8.626 5.074 -19.220 668 2HB HIS 85 1HB HIS 85 8.846 3.525 -20.028 669 HD2 HIS 85 2HD HIS 85 11.520 2.385 -19.396 670 HE1 HIS 85 1HE HIS 85 11.354 4.137 -15.547 671 HE2 HIS 85 2HE HIS 85 12.377 2.289 -16.949 672 H HIS 86 H HIS 86 10.570 3.235 -22.434 673 HA HIS 86 HA HIS 86 8.159 3.414 -23.973 674 1HB HIS 86 2HB HIS 86 10.388 5.016 -24.774 675 2HB HIS 86 1HB HIS 86 10.165 3.736 -25.961 676 HD2 HIS 86 2HD HIS 86 9.323 7.095 -26.134 677 HE1 HIS 86 1HE HIS 86 5.568 5.298 -26.898 678 HE2 HIS 86 2HE HIS 86 6.873 7.473 -26.897 679 H HIS 87 H HIS 87 8.386 1.957 -26.000 680 HA HIS 87 HA HIS 87 9.803 -0.470 -25.148 681 1HB HIS 87 2HB HIS 87 7.538 -0.186 -27.134 682 2HB HIS 87 1HB HIS 87 8.233 -1.698 -26.558 683 HD2 HIS 87 2HD HIS 87 5.264 0.383 -25.881 684 HE1 HIS 87 1HE HIS 87 6.137 -1.541 -22.213 685 HE2 HIS 87 2HE HIS 87 4.351 -0.357 -23.568 686 H HIS 88 H HIS 88 10.381 2.061 -27.054 687 HA HIS 88 HA HIS 88 11.105 0.903 -29.538 688 1HB HIS 88 2HB HIS 88 11.665 3.497 -28.159 689 2HB HIS 88 1HB HIS 88 12.633 3.061 -29.563 690 HD2 HIS 88 2HD HIS 88 10.413 5.546 -29.552 691 HE1 HIS 88 1HE HIS 88 8.389 2.968 -32.232 692 HE2 HIS 88 2HE HIS 88 8.478 5.310 -31.265 693 H HIS 89 H HIS 89 13.506 1.220 -30.291 694 HA HIS 89 HA HIS 89 15.598 0.331 -30.274 695 1HB HIS 89 2HB HIS 89 15.377 2.014 -28.037 696 2HB HIS 89 1HB HIS 89 16.192 0.568 -27.453 697 HD2 HIS 89 2HD HIS 89 17.847 0.183 -30.414 698 HE1 HIS 89 1HE HIS 89 19.624 3.784 -29.074 699 HE2 HIS 89 2HE HIS 89 19.760 1.900 -30.764 Start of MODEL 29 1 1H MET 1 1HT MET 1 5.376 -10.917 -11.693 2 2H MET 1 2HT MET 1 4.780 -11.424 -13.193 3 3H MET 1 3HT MET 1 4.650 -9.801 -12.738 4 HA MET 1 HA MET 1 7.177 -9.814 -12.603 5 1HB MET 1 2HB MET 1 7.078 -12.385 -12.813 6 2HB MET 1 1HB MET 1 6.834 -12.102 -14.531 7 1HG MET 1 2HG MET 1 9.184 -12.566 -13.896 8 2HG MET 1 1HG MET 1 8.952 -11.033 -14.735 9 1HE MET 1 1HE MET 1 10.344 -11.971 -10.593 10 2HE MET 1 2HE MET 1 11.479 -12.036 -11.941 11 3HE MET 1 3HE MET 1 10.004 -13.002 -11.984 12 H ARG 2 H ARG 2 4.920 -10.711 -15.196 13 HA ARG 2 HA ARG 2 5.859 -8.360 -16.703 14 1HB ARG 2 2HB ARG 2 5.315 -11.150 -17.610 15 2HB ARG 2 1HB ARG 2 4.944 -9.831 -18.711 16 1HG ARG 2 2HG ARG 2 7.634 -10.199 -17.416 17 2HG ARG 2 1HG ARG 2 7.206 -10.862 -18.993 18 1HD ARG 2 2HD ARG 2 6.513 -8.424 -19.545 19 2HD ARG 2 1HD ARG 2 7.523 -8.006 -18.162 20 HE ARG 2 HE ARG 2 9.370 -9.132 -19.362 21 1HH1 ARG 2 1HH1 ARG 2 6.596 -8.011 -21.149 22 2HH1 ARG 2 2HH1 ARG 2 7.460 -7.855 -22.643 23 1HH2 ARG 2 1HH2 ARG 2 10.515 -8.928 -21.324 24 2HH2 ARG 2 2HH2 ARG 2 9.688 -8.376 -22.742 25 H GLY 3 H GLY 3 3.356 -9.628 -15.002 26 1HA GLY 3 2HA GLY 3 1.511 -7.652 -15.824 27 2HA GLY 3 1HA GLY 3 1.074 -9.192 -16.548 28 H SER 4 H SER 4 -0.819 -8.290 -15.037 29 HA SER 4 HA SER 4 -0.639 -9.894 -12.583 30 1HB SER 4 2HB SER 4 -2.152 -7.305 -12.536 31 2HB SER 4 1HB SER 4 -1.463 -8.218 -11.195 32 HG SER 4 HG SER 4 0.379 -7.320 -13.031 33 H ASN 5 H ASN 5 -1.830 -11.498 -13.707 34 HA ASN 5 HA ASN 5 -4.697 -10.904 -13.832 35 1HB ASN 5 2HB ASN 5 -4.174 -10.759 -16.118 36 2HB ASN 5 1HB ASN 5 -3.018 -12.084 -16.032 37 1HD2 ASN 5 1HD2 ASN 5 -6.368 -11.793 -14.921 38 2HD2 ASN 5 2HD2 ASN 5 -6.966 -13.135 -15.830 39 H ALA 6 H ALA 6 -2.173 -13.393 -13.846 40 HA ALA 6 HA ALA 6 -3.788 -15.617 -13.342 41 1HB ALA 6 1HB ALA 6 -1.082 -15.490 -12.116 42 2HB ALA 6 2HB ALA 6 -1.214 -15.365 -13.871 43 3HB ALA 6 3HB ALA 6 -1.848 -16.785 -13.037 44 HA PRO 7 HA PRO 7 -5.291 -14.949 -9.220 45 1HB PRO 7 2HB PRO 7 -5.192 -17.899 -8.973 46 2HB PRO 7 1HB PRO 7 -6.563 -16.801 -8.788 47 1HG PRO 7 2HG PRO 7 -6.331 -18.365 -10.939 48 2HG PRO 7 1HG PRO 7 -6.972 -16.716 -11.066 49 1HD PRO 7 2HD PRO 7 -4.256 -17.757 -11.768 50 2HD PRO 7 1HD PRO 7 -5.260 -16.564 -12.616 51 H GLN 8 H GLN 8 -4.850 -15.926 -6.942 52 HA GLN 8 HA GLN 8 -1.933 -16.219 -6.655 53 1HB GLN 8 2HB GLN 8 -3.924 -14.586 -5.244 54 2HB GLN 8 1HB GLN 8 -2.820 -15.447 -4.179 55 1HG GLN 8 2HG GLN 8 -0.929 -14.477 -5.485 56 2HG GLN 8 1HG GLN 8 -2.107 -13.495 -6.352 57 1HE2 GLN 8 1HE2 GLN 8 -1.809 -11.494 -5.656 58 2HE2 GLN 8 2HE2 GLN 8 -1.764 -10.997 -4.002 59 HA PRO 9 HA PRO 9 -3.501 -20.325 -5.319 60 1HB PRO 9 2HB PRO 9 -0.622 -20.945 -5.619 61 2HB PRO 9 1HB PRO 9 -2.026 -21.772 -6.299 62 1HG PRO 9 2HG PRO 9 -0.423 -20.284 -7.832 63 2HG PRO 9 1HG PRO 9 -2.176 -20.324 -8.098 64 1HD PRO 9 2HD PRO 9 -0.507 -18.229 -6.757 65 2HD PRO 9 1HD PRO 9 -1.884 -18.036 -7.862 66 H SER 10 H SER 10 -0.988 -18.247 -4.158 67 HA SER 10 HA SER 10 -1.397 -19.238 -1.451 68 1HB SER 10 2HB SER 10 0.919 -19.586 -0.972 69 2HB SER 10 1HB SER 10 0.577 -20.475 -2.456 70 HG SER 10 HG SER 10 1.418 -18.622 -3.594 71 H HIS 11 H HIS 11 -1.274 -17.653 0.064 72 HA HIS 11 HA HIS 11 -1.039 -14.939 -0.906 73 1HB HIS 11 2HB HIS 11 -1.440 -15.619 1.983 74 2HB HIS 11 1HB HIS 11 -2.094 -14.274 1.054 75 HD2 HIS 11 2HD HIS 11 -3.896 -15.529 -1.122 76 HE1 HIS 11 1HE HIS 11 -5.381 -18.110 1.884 77 HE2 HIS 11 2HE HIS 11 -5.867 -17.032 -0.359 78 H ILE 12 H ILE 12 0.403 -13.387 -0.171 79 HA ILE 12 HA ILE 12 3.048 -14.268 0.358 80 HB ILE 12 HB ILE 12 1.940 -11.958 -0.611 81 1HG1 ILE 12 2HG1 ILE 12 4.181 -12.792 -1.132 82 2HG1 ILE 12 1HG1 ILE 12 4.207 -11.074 -0.742 83 1HG2 ILE 12 1HG2 ILE 12 1.332 -10.991 1.447 84 2HG2 ILE 12 2HG2 ILE 12 2.788 -10.149 0.918 85 3HG2 ILE 12 3HG2 ILE 12 2.890 -11.380 2.174 86 1HD1 ILE 12 1HD1 ILE 12 5.982 -11.704 0.473 87 2HD1 ILE 12 2HD1 ILE 12 5.401 -13.355 0.678 88 3HD1 ILE 12 3HD1 ILE 12 4.735 -12.056 1.669 89 H SER 13 H SER 13 4.271 -14.163 2.256 90 HA SER 13 HA SER 13 3.081 -14.731 4.676 91 1HB SER 13 2HB SER 13 5.759 -14.018 3.767 92 2HB SER 13 1HB SER 13 5.433 -13.414 5.392 93 HG SER 13 HG SER 13 4.557 -15.964 5.061 94 H LYS 14 H LYS 14 4.478 -11.605 3.692 95 HA LYS 14 HA LYS 14 2.315 -10.163 4.925 96 1HB LYS 14 2HB LYS 14 4.587 -8.896 6.028 97 2HB LYS 14 1HB LYS 14 3.257 -9.664 6.877 98 1HG LYS 14 2HG LYS 14 4.488 -11.828 6.690 99 2HG LYS 14 1HG LYS 14 5.856 -10.924 6.037 100 1HD LYS 14 2HD LYS 14 4.621 -10.105 8.636 101 2HD LYS 14 1HD LYS 14 5.754 -11.457 8.584 102 1HE LYS 14 2HE LYS 14 7.458 -10.041 7.621 103 2HE LYS 14 1HE LYS 14 6.327 -8.693 7.524 104 1HZ LYS 14 1HZ LYS 14 6.457 -9.705 10.169 105 2HZ LYS 14 2HZ LYS 14 6.781 -8.142 9.608 106 3HZ LYS 14 3HZ LYS 14 8.007 -9.307 9.621 107 H TYR 15 H TYR 15 2.124 -8.083 4.182 108 HA TYR 15 HA TYR 15 3.986 -7.307 2.038 109 1HB TYR 15 2HB TYR 15 1.039 -6.942 2.432 110 2HB TYR 15 1HB TYR 15 1.922 -5.747 1.491 111 HD1 TYR 15 1HD TYR 15 -0.241 -8.165 0.953 112 HD2 TYR 15 2HD TYR 15 3.819 -7.356 -0.033 113 HE1 TYR 15 1HE TYR 15 -0.446 -9.590 -1.042 114 HE2 TYR 15 2HE TYR 15 3.623 -8.779 -2.029 115 HH TYR 15 HH TYR 15 2.089 -10.796 -2.711 116 H ILE 16 H ILE 16 5.002 -5.323 2.150 117 HA ILE 16 HA ILE 16 4.374 -3.700 4.518 118 HB ILE 16 HB ILE 16 6.906 -4.645 3.426 119 1HG1 ILE 16 2HG1 ILE 16 5.898 -4.894 5.767 120 2HG1 ILE 16 1HG1 ILE 16 7.603 -4.478 5.669 121 1HG2 ILE 16 1HG2 ILE 16 7.322 -2.524 2.537 122 2HG2 ILE 16 2HG2 ILE 16 8.116 -2.502 4.113 123 3HG2 ILE 16 3HG2 ILE 16 6.558 -1.702 3.897 124 1HD1 ILE 16 1HD1 ILE 16 7.126 -2.183 6.196 125 2HD1 ILE 16 2HD1 ILE 16 6.364 -3.222 7.402 126 3HD1 ILE 16 3HD1 ILE 16 5.391 -2.489 6.126 127 H LEU 17 H LEU 17 3.750 -1.686 4.260 128 HA LEU 17 HA LEU 17 3.915 -0.504 1.571 129 1HB LEU 17 2HB LEU 17 1.679 -0.973 3.046 130 2HB LEU 17 1HB LEU 17 2.060 0.664 3.542 131 HG LEU 17 HG LEU 17 2.164 0.316 0.647 132 1HD1 LEU 17 1HD1 LEU 17 -0.055 -0.154 0.185 133 2HD1 LEU 17 2HD1 LEU 17 -0.577 0.177 1.838 134 3HD1 LEU 17 3HD1 LEU 17 0.322 -1.297 1.475 135 1HD2 LEU 17 1HD2 LEU 17 1.340 2.264 2.659 136 2HD2 LEU 17 2HD2 LEU 17 0.284 2.213 1.248 137 3HD2 LEU 17 3HD2 LEU 17 2.010 2.511 1.047 138 H ARG 18 H ARG 18 5.441 0.991 1.414 139 HA ARG 18 HA ARG 18 5.910 2.741 3.730 140 1HB ARG 18 2HB ARG 18 8.257 2.708 2.167 141 2HB ARG 18 1HB ARG 18 8.031 2.064 3.787 142 1HG ARG 18 2HG ARG 18 7.062 0.002 2.506 143 2HG ARG 18 1HG ARG 18 8.013 0.653 1.168 144 1HD ARG 18 2HD ARG 18 9.236 -1.030 2.496 145 2HD ARG 18 1HD ARG 18 10.025 0.549 2.494 146 HE ARG 18 HE ARG 18 8.339 0.352 4.737 147 1HH1 ARG 18 1HH1 ARG 18 11.321 -0.955 3.497 148 2HH1 ARG 18 2HH1 ARG 18 12.000 -1.236 5.066 149 1HH2 ARG 18 1HH2 ARG 18 9.220 -0.015 6.802 150 2HH2 ARG 18 2HH2 ARG 18 10.805 -0.700 6.946 151 H TRP 19 H TRP 19 5.735 4.861 3.371 152 HA TRP 19 HA TRP 19 6.189 5.935 0.709 153 1HB TRP 19 2HB TRP 19 4.038 6.855 0.372 154 2HB TRP 19 1HB TRP 19 3.760 5.185 0.854 155 HD1 TRP 19 HD TRP 19 3.014 8.729 1.851 156 HE1 TRP 19 1HE TRP 19 1.532 8.739 3.959 157 HE3 TRP 19 3HE TRP 19 3.350 3.785 3.105 158 HZ2 TRP 19 2HZ TRP 19 0.624 6.893 5.895 159 HZ3 TRP 19 3HZ TRP 19 2.146 2.987 5.098 160 HH2 TRP 19 HH TRP 19 0.813 4.511 6.463 161 H ARG 20 H ARG 20 6.144 8.284 0.645 162 HA ARG 20 HA ARG 20 6.119 9.775 3.102 163 1HB ARG 20 2HB ARG 20 8.470 10.532 2.924 164 2HB ARG 20 1HB ARG 20 8.343 8.814 3.272 165 1HG ARG 20 2HG ARG 20 9.258 8.206 1.303 166 2HG ARG 20 1HG ARG 20 8.524 9.548 0.423 167 1HD ARG 20 2HD ARG 20 10.156 11.071 1.537 168 2HD ARG 20 1HD ARG 20 10.944 9.647 2.215 169 HE ARG 20 HE ARG 20 11.314 8.959 -0.162 170 1HH1 ARG 20 1HH1 ARG 20 10.897 12.312 0.698 171 2HH1 ARG 20 2HH1 ARG 20 11.783 12.904 -0.668 172 1HH2 ARG 20 1HH2 ARG 20 12.488 9.733 -1.958 173 2HH2 ARG 20 2HH2 ARG 20 12.685 11.441 -2.176 174 HA PRO 21 HA PRO 21 5.083 13.143 0.450 175 1HB PRO 21 2HB PRO 21 6.765 15.163 1.342 176 2HB PRO 21 1HB PRO 21 5.214 14.736 2.068 177 1HG PRO 21 2HG PRO 21 7.973 13.977 2.909 178 2HG PRO 21 1HG PRO 21 6.564 14.380 3.905 179 1HD PRO 21 2HD PRO 21 7.373 11.840 3.556 180 2HD PRO 21 1HD PRO 21 5.652 12.262 3.694 181 H LYS 22 H LYS 22 5.679 12.821 -1.600 182 HA LYS 22 HA LYS 22 8.297 12.427 -2.523 183 1HB LYS 22 2HB LYS 22 6.044 11.851 -3.636 184 2HB LYS 22 1HB LYS 22 6.083 13.499 -4.248 185 1HG LYS 22 2HG LYS 22 8.568 12.604 -4.915 186 2HG LYS 22 1HG LYS 22 7.591 11.143 -5.087 187 1HD LYS 22 2HD LYS 22 6.337 13.532 -6.208 188 2HD LYS 22 1HD LYS 22 7.867 13.107 -6.979 189 1HE LYS 22 2HE LYS 22 7.076 10.916 -7.505 190 2HE LYS 22 1HE LYS 22 5.629 11.145 -6.524 191 1HZ LYS 22 1HZ LYS 22 5.762 11.543 -9.182 192 2HZ LYS 22 2HZ LYS 22 5.975 13.117 -8.601 193 3HZ LYS 22 3HZ LYS 22 4.600 12.234 -8.166 194 H ASN 23 H ASN 23 6.233 15.330 -2.650 195 HA ASN 23 HA ASN 23 8.502 16.884 -3.633 196 1HB ASN 23 2HB ASN 23 5.649 17.038 -3.925 197 2HB ASN 23 1HB ASN 23 6.258 18.557 -3.277 198 1HD2 ASN 23 1HD2 ASN 23 5.240 17.519 -5.979 199 2HD2 ASN 23 2HD2 ASN 23 6.394 18.146 -7.102 200 H SER 24 H SER 24 6.335 16.720 -0.843 201 HA SER 24 HA SER 24 7.587 18.995 0.419 202 1HB SER 24 2HB SER 24 5.108 17.902 0.628 203 2HB SER 24 1HB SER 24 5.893 17.276 2.072 204 HG SER 24 HG SER 24 6.254 19.324 2.777 205 H VAL 25 H VAL 25 7.976 18.576 2.922 206 HA VAL 25 HA VAL 25 10.119 16.581 3.034 207 HB VAL 25 HB VAL 25 10.803 18.842 3.577 208 1HG1 VAL 25 1HG1 VAL 25 9.886 19.957 5.618 209 2HG1 VAL 25 2HG1 VAL 25 8.620 18.730 5.649 210 3HG1 VAL 25 3HG1 VAL 25 8.748 19.831 4.277 211 1HG2 VAL 25 1HG2 VAL 25 10.756 17.622 6.280 212 2HG2 VAL 25 2HG2 VAL 25 12.101 18.303 5.366 213 3HG2 VAL 25 3HG2 VAL 25 11.494 16.694 4.974 214 H GLY 26 H GLY 26 10.226 15.024 4.631 215 1HA GLY 26 2HA GLY 26 8.648 14.859 6.925 216 2HA GLY 26 1HA GLY 26 7.782 14.030 5.639 217 H ARG 27 H ARG 27 8.003 12.055 6.801 218 HA ARG 27 HA ARG 27 10.638 10.828 6.400 219 1HB ARG 27 2HB ARG 27 8.973 10.351 8.871 220 2HB ARG 27 1HB ARG 27 10.594 9.755 8.544 221 1HG ARG 27 2HG ARG 27 11.569 11.833 8.894 222 2HG ARG 27 1HG ARG 27 10.044 12.692 8.661 223 1HD ARG 27 2HD ARG 27 9.280 12.181 10.777 224 2HD ARG 27 1HD ARG 27 10.307 10.755 10.917 225 HE ARG 27 HE ARG 27 11.420 13.482 10.999 226 1HH1 ARG 27 1HH1 ARG 27 11.083 10.278 12.336 227 2HH1 ARG 27 2HH1 ARG 27 12.244 10.543 13.593 228 1HH2 ARG 27 1HH2 ARG 27 12.946 13.836 12.650 229 2HH2 ARG 27 2HH2 ARG 27 13.301 12.565 13.772 230 H TRP 28 H TRP 28 10.556 8.442 6.441 231 HA TRP 28 HA TRP 28 8.517 7.482 4.732 232 1HB TRP 28 2HB TRP 28 10.783 6.190 6.219 233 2HB TRP 28 1HB TRP 28 9.602 5.203 5.365 234 HD1 TRP 28 HD TRP 28 12.771 7.017 4.832 235 HE1 TRP 28 1HE TRP 28 13.334 7.138 2.324 236 HE3 TRP 28 3HE TRP 28 8.266 5.544 2.913 237 HZ2 TRP 28 2HZ TRP 28 12.042 6.670 -0.142 238 HZ3 TRP 28 3HZ TRP 28 8.013 5.407 0.469 239 HH2 TRP 28 HH TRP 28 9.863 5.959 -1.026 240 H LYS 29 H LYS 29 7.056 5.707 5.138 241 HA LYS 29 HA LYS 29 6.251 5.397 7.947 242 1HB LYS 29 2HB LYS 29 4.275 5.702 5.682 243 2HB LYS 29 1HB LYS 29 3.931 5.655 7.405 244 1HG LYS 29 2HG LYS 29 5.743 7.793 6.889 245 2HG LYS 29 1HG LYS 29 4.379 7.907 5.774 246 1HD LYS 29 2HD LYS 29 2.813 7.913 7.579 247 2HD LYS 29 1HD LYS 29 4.078 7.533 8.748 248 1HE LYS 29 2HE LYS 29 5.153 9.743 7.919 249 2HE LYS 29 1HE LYS 29 3.537 10.101 7.310 250 1HZ LYS 29 1HZ LYS 29 3.535 11.015 9.419 251 2HZ LYS 29 2HZ LYS 29 4.422 9.747 10.100 252 3HZ LYS 29 3HZ LYS 29 2.801 9.513 9.681 253 H GLU 30 H GLU 30 5.731 3.319 8.508 254 HA GLU 30 HA GLU 30 5.722 1.344 6.315 255 1HB GLU 30 2HB GLU 30 6.552 0.506 9.042 256 2HB GLU 30 1HB GLU 30 7.119 -0.047 7.473 257 1HG GLU 30 2HG GLU 30 8.957 1.122 7.906 258 2HG GLU 30 1HG GLU 30 7.990 2.549 7.536 259 H ALA 31 H ALA 31 4.017 0.088 6.141 260 HA ALA 31 HA ALA 31 2.377 -0.542 8.481 261 1HB ALA 31 1HB ALA 31 1.595 1.319 6.479 262 2HB ALA 31 2HB ALA 31 0.662 0.726 7.852 263 3HB ALA 31 3HB ALA 31 0.594 -0.124 6.308 264 H THR 32 H THR 32 2.457 -2.712 8.539 265 HA THR 32 HA THR 32 2.700 -4.213 6.057 266 HB THR 32 HB THR 32 2.526 -5.671 8.632 267 HG1 THR 32 1HG THR 32 5.049 -4.710 8.223 268 1HG2 THR 32 1HG2 THR 32 4.052 -7.119 7.623 269 2HG2 THR 32 2HG2 THR 32 4.674 -5.869 6.545 270 3HG2 THR 32 3HG2 THR 32 3.079 -6.566 6.260 271 H ILE 33 H ILE 33 1.194 -5.487 5.185 272 HA ILE 33 HA ILE 33 -1.361 -5.813 6.612 273 HB ILE 33 HB ILE 33 -1.137 -5.619 3.615 274 1HG1 ILE 33 2HG1 ILE 33 -2.296 -3.274 4.843 275 2HG1 ILE 33 1HG1 ILE 33 -0.650 -3.519 5.420 276 1HG2 ILE 33 1HG2 ILE 33 -3.150 -6.660 4.378 277 2HG2 ILE 33 2HG2 ILE 33 -3.548 -5.030 3.836 278 3HG2 ILE 33 3HG2 ILE 33 -3.424 -5.380 5.560 279 1HD1 ILE 33 1HD1 ILE 33 0.108 -3.633 3.071 280 2HD1 ILE 33 2HD1 ILE 33 -0.616 -2.084 3.503 281 3HD1 ILE 33 3HD1 ILE 33 -1.537 -3.255 2.558 282 HA PRO 34 HA PRO 34 0.009 -10.111 6.173 283 1HB PRO 34 2HB PRO 34 -2.728 -10.501 7.275 284 2HB PRO 34 1HB PRO 34 -1.193 -11.199 7.797 285 1HG PRO 34 2HG PRO 34 -2.327 -9.247 9.197 286 2HG PRO 34 1HG PRO 34 -0.570 -9.292 8.967 287 1HD PRO 34 2HD PRO 34 -2.616 -7.575 7.628 288 2HD PRO 34 1HD PRO 34 -0.967 -7.170 8.148 289 H GLY 35 H GLY 35 -0.098 -10.035 3.861 290 1HA GLY 35 2HA GLY 35 -0.950 -10.534 1.783 291 2HA GLY 35 1HA GLY 35 -1.725 -11.856 2.638 292 H HIS 36 H HIS 36 -2.467 -8.492 3.264 293 HA HIS 36 HA HIS 36 -4.417 -7.326 3.132 294 1HB HIS 36 2HB HIS 36 -3.756 -8.237 0.529 295 2HB HIS 36 1HB HIS 36 -5.501 -8.386 0.699 296 HD2 HIS 36 2HD HIS 36 -5.314 -5.512 2.721 297 HE1 HIS 36 1HE HIS 36 -4.701 -3.896 -1.142 298 HE2 HIS 36 2HE HIS 36 -5.128 -3.350 1.298 299 H LEU 37 H LEU 37 -5.131 -8.757 4.945 300 HA LEU 37 HA LEU 37 -6.879 -10.941 4.451 301 1HB LEU 37 2HB LEU 37 -7.513 -10.644 6.849 302 2HB LEU 37 1HB LEU 37 -5.792 -10.829 6.566 303 HG LEU 37 HG LEU 37 -6.646 -8.036 6.606 304 1HD1 LEU 37 1HD1 LEU 37 -7.991 -8.116 8.374 305 2HD1 LEU 37 2HD1 LEU 37 -6.575 -8.572 9.320 306 3HD1 LEU 37 3HD1 LEU 37 -7.634 -9.818 8.661 307 1HD2 LEU 37 1HD2 LEU 37 -4.426 -9.739 7.510 308 2HD2 LEU 37 2HD2 LEU 37 -4.769 -8.339 8.527 309 3HD2 LEU 37 3HD2 LEU 37 -4.410 -8.117 6.816 310 H ASN 38 H ASN 38 -7.327 -7.491 4.778 311 HA ASN 38 HA ASN 38 -10.083 -7.786 3.876 312 1HB ASN 38 2HB ASN 38 -11.008 -6.378 5.600 313 2HB ASN 38 1HB ASN 38 -10.147 -7.704 6.375 314 1HD2 ASN 38 1HD2 ASN 38 -10.419 -4.336 6.012 315 2HD2 ASN 38 2HD2 ASN 38 -9.102 -3.881 7.032 316 H SER 39 H SER 39 -10.862 -5.131 4.130 317 HA SER 39 HA SER 39 -9.391 -3.956 1.960 318 1HB SER 39 2HB SER 39 -11.055 -2.078 2.230 319 2HB SER 39 1HB SER 39 -11.775 -3.664 1.949 320 HG SER 39 HG SER 39 -11.375 -3.035 4.600 321 H TYR 40 H TYR 40 -7.452 -3.106 2.394 322 HA TYR 40 HA TYR 40 -7.255 -1.238 4.665 323 1HB TYR 40 2HB TYR 40 -5.916 -3.509 4.696 324 2HB TYR 40 1HB TYR 40 -4.830 -2.645 3.612 325 HD1 TYR 40 1HD TYR 40 -4.568 -0.015 4.608 326 HD2 TYR 40 2HD TYR 40 -5.066 -3.606 6.835 327 HE1 TYR 40 1HE TYR 40 -3.477 1.042 6.540 328 HE2 TYR 40 2HE TYR 40 -3.975 -2.559 8.775 329 HH TYR 40 HH TYR 40 -2.907 0.828 8.679 330 H THR 41 H THR 41 -7.451 0.703 3.701 331 HA THR 41 HA THR 41 -5.534 1.332 1.556 332 HB THR 41 HB THR 41 -7.634 1.275 0.441 333 HG1 THR 41 1HG THR 41 -7.948 3.630 0.063 334 1HG2 THR 41 1HG2 THR 41 -9.443 1.359 1.775 335 2HG2 THR 41 2HG2 THR 41 -9.344 3.102 1.533 336 3HG2 THR 41 3HG2 THR 41 -8.632 2.370 2.971 337 H ILE 42 H ILE 42 -4.532 3.319 1.667 338 HA ILE 42 HA ILE 42 -4.529 4.570 4.265 339 HB ILE 42 HB ILE 42 -2.937 5.111 1.766 340 1HG1 ILE 42 2HG1 ILE 42 -2.415 3.034 3.009 341 2HG1 ILE 42 1HG1 ILE 42 -1.088 4.186 3.044 342 1HG2 ILE 42 1HG2 ILE 42 -1.627 6.702 3.020 343 2HG2 ILE 42 2HG2 ILE 42 -2.606 6.423 4.461 344 3HG2 ILE 42 3HG2 ILE 42 -3.320 7.193 3.044 345 1HD1 ILE 42 1HD1 ILE 42 -2.635 4.729 5.311 346 2HD1 ILE 42 2HD1 ILE 42 -1.039 3.978 5.240 347 3HD1 ILE 42 3HD1 ILE 42 -2.489 2.973 5.215 348 H LYS 43 H LYS 43 -5.905 6.134 4.804 349 HA LYS 43 HA LYS 43 -6.591 8.164 2.803 350 1HB LYS 43 2HB LYS 43 -8.391 6.212 3.848 351 2HB LYS 43 1HB LYS 43 -8.863 7.788 4.469 352 1HG LYS 43 2HG LYS 43 -8.324 8.194 1.760 353 2HG LYS 43 1HG LYS 43 -9.218 6.675 1.845 354 1HD LYS 43 2HD LYS 43 -10.151 9.079 3.369 355 2HD LYS 43 1HD LYS 43 -10.526 8.904 1.653 356 1HE LYS 43 2HE LYS 43 -11.255 7.009 3.881 357 2HE LYS 43 1HE LYS 43 -12.353 8.030 2.953 358 1HZ LYS 43 1HZ LYS 43 -11.469 5.434 2.364 359 2HZ LYS 43 2HZ LYS 43 -10.902 6.468 1.150 360 3HZ LYS 43 3HZ LYS 43 -12.557 6.395 1.495 361 H GLY 44 H GLY 44 -6.579 10.208 3.552 362 1HA GLY 44 2HA GLY 44 -7.209 11.621 5.553 363 2HA GLY 44 1HA GLY 44 -6.142 10.552 6.451 364 H LEU 45 H LEU 45 -5.164 11.267 3.256 365 HA LEU 45 HA LEU 45 -2.821 12.620 4.199 366 1HB LEU 45 2HB LEU 45 -3.746 12.251 1.342 367 2HB LEU 45 1HB LEU 45 -2.122 12.642 1.884 368 HG LEU 45 HG LEU 45 -3.423 10.086 2.756 369 1HD1 LEU 45 1HD1 LEU 45 -2.807 8.943 0.845 370 2HD1 LEU 45 2HD1 LEU 45 -1.701 10.211 0.318 371 3HD1 LEU 45 3HD1 LEU 45 -3.444 10.453 0.193 372 1HD2 LEU 45 1HD2 LEU 45 -1.455 9.741 3.714 373 2HD2 LEU 45 2HD2 LEU 45 -0.943 11.349 3.201 374 3HD2 LEU 45 3HD2 LEU 45 -0.633 9.953 2.169 375 H LYS 46 H LYS 46 -2.812 14.318 1.658 376 HA LYS 46 HA LYS 46 -4.769 16.348 2.315 377 1HB LYS 46 2HB LYS 46 -2.956 16.984 3.758 378 2HB LYS 46 1HB LYS 46 -1.795 16.819 2.447 379 1HG LYS 46 2HG LYS 46 -2.072 19.085 2.497 380 2HG LYS 46 1HG LYS 46 -3.287 18.645 1.305 381 1HD LYS 46 2HD LYS 46 -4.731 19.766 2.561 382 2HD LYS 46 1HD LYS 46 -4.598 18.453 3.729 383 1HE LYS 46 2HE LYS 46 -2.631 19.689 4.710 384 2HE LYS 46 1HE LYS 46 -3.076 21.048 3.679 385 1HZ LYS 46 1HZ LYS 46 -4.434 19.982 6.040 386 2HZ LYS 46 2HZ LYS 46 -5.398 20.632 4.812 387 3HZ LYS 46 3HZ LYS 46 -4.216 21.588 5.552 388 HA PRO 47 HA PRO 47 -4.664 16.407 -2.151 389 1HB PRO 47 2HB PRO 47 -6.468 18.426 -2.476 390 2HB PRO 47 1HB PRO 47 -6.928 16.759 -2.111 391 1HG PRO 47 2HG PRO 47 -6.687 19.103 -0.269 392 2HG PRO 47 1HG PRO 47 -7.936 17.846 -0.326 393 1HD PRO 47 2HD PRO 47 -5.930 17.807 1.484 394 2HD PRO 47 1HD PRO 47 -6.637 16.322 0.816 395 H GLY 48 H GLY 48 -2.529 17.162 -2.317 396 1HA GLY 48 2HA GLY 48 -1.987 19.422 -3.683 397 2HA GLY 48 1HA GLY 48 -1.939 19.979 -2.013 398 H VAL 49 H VAL 49 -1.015 17.245 -1.202 399 HA VAL 49 HA VAL 49 1.801 17.500 -2.038 400 HB VAL 49 HB VAL 49 1.598 16.044 0.404 401 1HG1 VAL 49 1HG1 VAL 49 3.608 17.076 0.034 402 2HG1 VAL 49 2HG1 VAL 49 2.869 18.197 1.178 403 3HG1 VAL 49 3HG1 VAL 49 2.863 18.566 -0.546 404 1HG2 VAL 49 1HG2 VAL 49 -0.132 18.450 0.255 405 2HG2 VAL 49 2HG2 VAL 49 0.842 18.230 1.708 406 3HG2 VAL 49 3HG2 VAL 49 -0.308 16.984 1.220 407 H VAL 50 H VAL 50 2.320 15.860 -3.358 408 HA VAL 50 HA VAL 50 0.799 13.434 -3.417 409 HB VAL 50 HB VAL 50 3.261 14.347 -4.887 410 1HG1 VAL 50 1HG1 VAL 50 3.783 12.138 -4.968 411 2HG1 VAL 50 2HG1 VAL 50 2.598 12.165 -6.275 412 3HG1 VAL 50 3HG1 VAL 50 2.125 11.621 -4.665 413 1HG2 VAL 50 1HG2 VAL 50 1.504 15.372 -5.920 414 2HG2 VAL 50 2HG2 VAL 50 0.358 14.109 -5.470 415 3HG2 VAL 50 3HG2 VAL 50 1.494 13.839 -6.792 416 H TYR 51 H TYR 51 1.175 11.556 -2.435 417 HA TYR 51 HA TYR 51 3.643 11.312 -0.858 418 1HB TYR 51 2HB TYR 51 0.871 10.200 -0.513 419 2HB TYR 51 1HB TYR 51 2.247 9.440 0.284 420 HD1 TYR 51 1HD TYR 51 3.283 10.451 2.185 421 HD2 TYR 51 2HD TYR 51 0.231 12.523 0.066 422 HE1 TYR 51 1HE TYR 51 3.130 12.084 4.016 423 HE2 TYR 51 2HE TYR 51 0.071 14.166 1.890 424 HH TYR 51 HH TYR 51 0.834 14.795 3.873 425 H GLU 52 H GLU 52 5.133 10.233 -1.970 426 HA GLU 52 HA GLU 52 4.412 8.132 -3.830 427 1HB GLU 52 2HB GLU 52 6.160 9.161 -4.823 428 2HB GLU 52 1HB GLU 52 6.744 9.831 -3.308 429 1HG GLU 52 2HG GLU 52 8.477 8.464 -3.954 430 2HG GLU 52 1HG GLU 52 7.583 7.434 -2.839 431 H GLY 53 H GLY 53 4.517 6.001 -3.437 432 1HA GLY 53 2HA GLY 53 6.167 5.013 -1.245 433 2HA GLY 53 1HA GLY 53 4.437 4.752 -1.104 434 H GLN 54 H GLN 54 6.337 2.699 -1.155 435 HA GLN 54 HA GLN 54 5.531 1.312 -3.614 436 1HB GLN 54 2HB GLN 54 7.917 0.127 -3.099 437 2HB GLN 54 1HB GLN 54 7.697 1.439 -4.250 438 1HG GLN 54 2HG GLN 54 8.432 3.055 -2.655 439 2HG GLN 54 1HG GLN 54 8.449 1.850 -1.368 440 1HE2 GLN 54 1HE2 GLN 54 10.316 3.497 -3.535 441 2HE2 GLN 54 2HE2 GLN 54 11.697 2.459 -3.566 442 H LEU 55 H LEU 55 5.123 -0.901 -3.380 443 HA LEU 55 HA LEU 55 4.760 -1.749 -0.594 444 1HB LEU 55 2HB LEU 55 2.933 -1.717 -2.517 445 2HB LEU 55 1HB LEU 55 3.629 -3.286 -2.873 446 HG LEU 55 HG LEU 55 3.093 -3.028 -0.047 447 1HD1 LEU 55 1HD1 LEU 55 0.763 -2.774 -0.030 448 2HD1 LEU 55 2HD1 LEU 55 0.655 -2.877 -1.788 449 3HD1 LEU 55 3HD1 LEU 55 1.373 -1.455 -1.028 450 1HD2 LEU 55 1HD2 LEU 55 3.330 -5.188 -0.781 451 2HD2 LEU 55 2HD2 LEU 55 2.455 -4.888 -2.284 452 3HD2 LEU 55 3HD2 LEU 55 1.573 -5.033 -0.764 453 H ILE 56 H ILE 56 6.500 -2.836 0.122 454 HA ILE 56 HA ILE 56 7.928 -4.645 -1.672 455 HB ILE 56 HB ILE 56 8.532 -3.763 1.160 456 1HG1 ILE 56 2HG1 ILE 56 10.568 -2.769 0.043 457 2HG1 ILE 56 1HG1 ILE 56 9.840 -3.151 -1.512 458 1HG2 ILE 56 1HG2 ILE 56 10.443 -5.110 1.178 459 2HG2 ILE 56 2HG2 ILE 56 10.364 -5.405 -0.561 460 3HG2 ILE 56 3HG2 ILE 56 9.185 -6.155 0.515 461 1HD1 ILE 56 1HD1 ILE 56 8.090 -1.637 0.269 462 2HD1 ILE 56 2HD1 ILE 56 8.492 -1.375 -1.427 463 3HD1 ILE 56 3HD1 ILE 56 9.579 -0.796 -0.165 464 H SER 57 H SER 57 7.589 -6.789 -1.672 465 HA SER 57 HA SER 57 5.767 -7.896 0.304 466 1HB SER 57 2HB SER 57 5.175 -9.423 -1.247 467 2HB SER 57 1HB SER 57 5.969 -8.333 -2.382 468 HG SER 57 HG SER 57 6.737 -10.817 -1.492 469 H ILE 58 H ILE 58 6.296 -9.311 1.804 470 HA ILE 58 HA ILE 58 9.139 -10.054 2.002 471 HB ILE 58 HB ILE 58 7.223 -9.743 4.311 472 1HG1 ILE 58 2HG1 ILE 58 9.433 -7.853 3.489 473 2HG1 ILE 58 1HG1 ILE 58 7.743 -7.608 3.056 474 1HG2 ILE 58 1HG2 ILE 58 10.222 -9.823 4.409 475 2HG2 ILE 58 2HG2 ILE 58 9.247 -11.290 4.482 476 3HG2 ILE 58 3HG2 ILE 58 9.068 -10.049 5.723 477 1HD1 ILE 58 1HD1 ILE 58 7.791 -8.057 5.825 478 2HD1 ILE 58 2HD1 ILE 58 7.461 -6.548 4.973 479 3HD1 ILE 58 3HD1 ILE 58 9.108 -6.939 5.471 480 H GLN 59 H GLN 59 9.411 -12.085 1.444 481 HA GLN 59 HA GLN 59 7.436 -14.107 2.231 482 1HB GLN 59 2HB GLN 59 9.616 -14.063 0.153 483 2HB GLN 59 1HB GLN 59 8.906 -15.576 0.694 484 1HG GLN 59 2HG GLN 59 7.078 -13.419 -0.204 485 2HG GLN 59 1HG GLN 59 8.011 -14.287 -1.421 486 1HE2 GLN 59 1HE2 GLN 59 7.513 -16.376 -1.900 487 2HE2 GLN 59 2HE2 GLN 59 6.131 -17.199 -1.267 488 H GLN 60 H GLN 60 8.856 -16.351 2.455 489 HA GLN 60 HA GLN 60 10.054 -16.157 4.985 490 1HB GLN 60 2HB GLN 60 10.859 -18.511 4.476 491 2HB GLN 60 1HB GLN 60 9.123 -18.246 4.375 492 1HG GLN 60 2HG GLN 60 9.109 -18.372 2.060 493 2HG GLN 60 1HG GLN 60 10.838 -18.050 1.934 494 1HE2 GLN 60 1HE2 GLN 60 9.490 -20.170 0.664 495 2HE2 GLN 60 2HE2 GLN 60 10.100 -21.654 1.302 496 H TYR 61 H TYR 61 11.294 -15.436 1.908 497 HA TYR 61 HA TYR 61 14.075 -15.787 2.785 498 1HB TYR 61 2HB TYR 61 13.054 -15.119 0.020 499 2HB TYR 61 1HB TYR 61 14.704 -15.547 0.456 500 HD1 TYR 61 1HD TYR 61 11.823 -16.761 -1.007 501 HD2 TYR 61 2HD TYR 61 14.807 -17.913 1.801 502 HE1 TYR 61 1HE TYR 61 11.317 -19.127 -1.447 503 HE2 TYR 61 2HE TYR 61 14.308 -20.282 1.366 504 HH TYR 61 HH TYR 61 11.563 -21.330 -0.183 505 H GLY 62 H GLY 62 11.747 -13.403 2.736 506 1HA GLY 62 2HA GLY 62 12.425 -11.254 3.700 507 2HA GLY 62 1HA GLY 62 13.835 -11.310 2.656 508 H HIS 63 H HIS 63 13.314 -9.238 1.823 509 HA HIS 63 HA HIS 63 10.845 -8.556 0.652 510 1HB HIS 63 2HB HIS 63 13.396 -7.410 -0.412 511 2HB HIS 63 1HB HIS 63 11.872 -6.604 -0.059 512 HD2 HIS 63 2HD HIS 63 15.196 -6.309 1.222 513 HE1 HIS 63 1HE HIS 63 12.827 -6.302 4.728 514 HE2 HIS 63 2HE HIS 63 15.154 -5.943 3.789 515 H GLN 64 H GLN 64 10.056 -8.702 -1.441 516 HA GLN 64 HA GLN 64 11.749 -9.934 -3.466 517 1HB GLN 64 2HB GLN 64 9.088 -11.145 -3.438 518 2HB GLN 64 1HB GLN 64 10.663 -11.890 -3.659 519 1HG GLN 64 2HG GLN 64 10.414 -11.093 -0.940 520 2HG GLN 64 1HG GLN 64 8.966 -11.986 -1.407 521 1HE2 GLN 64 1HE2 GLN 64 12.101 -12.238 -0.324 522 2HE2 GLN 64 2HE2 GLN 64 12.364 -13.913 -0.650 523 H GLU 65 H GLU 65 8.317 -9.035 -2.959 524 HA GLU 65 HA GLU 65 8.274 -7.932 -5.671 525 1HB GLU 65 2HB GLU 65 6.513 -9.530 -4.307 526 2HB GLU 65 1HB GLU 65 5.778 -7.944 -4.131 527 1HG GLU 65 2HG GLU 65 6.057 -7.721 -6.661 528 2HG GLU 65 1HG GLU 65 6.369 -9.456 -6.654 529 H VAL 66 H VAL 66 8.674 -5.813 -5.895 530 HA VAL 66 HA VAL 66 7.342 -3.995 -4.034 531 HB VAL 66 HB VAL 66 9.532 -4.013 -3.169 532 1HG1 VAL 66 1HG1 VAL 66 11.490 -4.048 -4.301 533 2HG1 VAL 66 2HG1 VAL 66 10.839 -3.178 -5.692 534 3HG1 VAL 66 3HG1 VAL 66 10.457 -4.886 -5.459 535 1HG2 VAL 66 1HG2 VAL 66 10.288 -1.690 -3.568 536 2HG2 VAL 66 2HG2 VAL 66 8.556 -1.816 -3.261 537 3HG2 VAL 66 3HG2 VAL 66 9.146 -1.584 -4.908 538 H THR 67 H THR 67 6.344 -2.329 -4.938 539 HA THR 67 HA THR 67 7.061 -1.519 -7.666 540 HB THR 67 HB THR 67 4.250 -2.163 -6.747 541 HG1 THR 67 1HG THR 67 5.093 -4.041 -7.436 542 1HG2 THR 67 1HG2 THR 67 4.150 -1.690 -9.454 543 2HG2 THR 67 2HG2 THR 67 5.253 -0.438 -8.882 544 3HG2 THR 67 3HG2 THR 67 3.632 -0.565 -8.198 545 H ARG 68 H ARG 68 7.285 0.621 -7.803 546 HA ARG 68 HA ARG 68 6.467 2.297 -5.590 547 1HB ARG 68 2HB ARG 68 7.736 3.320 -8.107 548 2HB ARG 68 1HB ARG 68 7.892 3.929 -6.464 549 1HG ARG 68 2HG ARG 68 9.739 2.750 -6.184 550 2HG ARG 68 1HG ARG 68 8.862 1.259 -6.524 551 1HD ARG 68 2HD ARG 68 10.575 2.909 -8.288 552 2HD ARG 68 1HD ARG 68 10.392 1.158 -8.201 553 HE ARG 68 HE ARG 68 8.095 1.718 -9.277 554 1HH1 ARG 68 1HH1 ARG 68 11.138 3.289 -9.923 555 2HH1 ARG 68 2HH1 ARG 68 10.725 3.704 -11.553 556 1HH2 ARG 68 1HH2 ARG 68 7.544 2.261 -11.422 557 2HH2 ARG 68 2HH2 ARG 68 8.680 3.122 -12.404 558 H PHE 69 H PHE 69 4.978 3.951 -5.641 559 HA PHE 69 HA PHE 69 3.590 4.630 -8.083 560 1HB PHE 69 2HB PHE 69 1.339 4.092 -6.923 561 2HB PHE 69 1HB PHE 69 2.239 2.769 -7.658 562 HD1 PHE 69 1HD PHE 69 1.784 4.501 -4.389 563 HD2 PHE 69 2HD PHE 69 2.662 0.866 -6.424 564 HE1 PHE 69 1HE PHE 69 1.765 3.297 -2.241 565 HE2 PHE 69 2HE PHE 69 2.642 -0.343 -4.281 566 HZ PHE 69 HZ PHE 69 2.194 0.872 -2.186 567 H ASP 70 H ASP 70 2.042 6.387 -7.788 568 HA ASP 70 HA ASP 70 2.684 8.029 -5.428 569 1HB ASP 70 2HB ASP 70 1.861 9.936 -6.925 570 2HB ASP 70 1HB ASP 70 3.404 9.208 -7.362 571 H PHE 71 H PHE 71 0.997 8.709 -4.128 572 HA PHE 71 HA PHE 71 -1.713 8.451 -5.133 573 1HB PHE 71 2HB PHE 71 -2.439 6.767 -3.720 574 2HB PHE 71 1HB PHE 71 -0.829 6.209 -4.154 575 HD1 PHE 71 1HD PHE 71 -3.041 6.963 -1.493 576 HD2 PHE 71 2HD PHE 71 1.087 6.802 -2.528 577 HE1 PHE 71 1HE PHE 71 -2.451 6.827 0.891 578 HE2 PHE 71 2HE PHE 71 1.681 6.663 -0.145 579 HZ PHE 71 HZ PHE 71 -0.088 6.674 1.567 580 H THR 72 H THR 72 -3.183 9.701 -4.125 581 HA THR 72 HA THR 72 -2.596 10.942 -1.584 582 HB THR 72 HB THR 72 -3.409 13.003 -3.474 583 HG1 THR 72 1HG THR 72 -0.895 12.938 -4.026 584 1HG2 THR 72 1HG2 THR 72 -2.634 13.306 -1.120 585 2HG2 THR 72 2HG2 THR 72 -1.751 14.278 -2.297 586 3HG2 THR 72 3HG2 THR 72 -1.023 12.810 -1.641 587 H THR 73 H THR 73 -4.452 12.383 -0.893 588 HA THR 73 HA THR 73 -6.939 11.020 -1.525 589 HB THR 73 HB THR 73 -6.680 11.385 0.798 590 HG1 THR 73 1HG THR 73 -8.368 13.090 1.164 591 1HG2 THR 73 1HG2 THR 73 -6.581 14.146 1.215 592 2HG2 THR 73 2HG2 THR 73 -5.389 13.825 -0.044 593 3HG2 THR 73 3HG2 THR 73 -5.291 12.980 1.501 594 H THR 74 H THR 74 -6.998 11.823 -3.729 595 HA THR 74 HA THR 74 -7.937 13.113 -5.340 596 HB THR 74 HB THR 74 -9.497 13.691 -3.122 597 HG1 THR 74 1HG THR 74 -9.662 14.226 -5.883 598 1HG2 THR 74 1HG2 THR 74 -10.028 16.142 -3.501 599 2HG2 THR 74 2HG2 THR 74 -8.484 16.254 -4.346 600 3HG2 THR 74 3HG2 THR 74 -8.527 15.802 -2.642 601 H SER 75 H SER 75 -7.646 15.156 -6.466 602 HA SER 75 HA SER 75 -6.387 16.896 -7.205 603 1HB SER 75 2HB SER 75 -6.894 17.464 -4.523 604 2HB SER 75 1HB SER 75 -5.156 17.709 -4.697 605 HG SER 75 HG SER 75 -6.746 19.505 -5.233 606 H THR 76 H THR 76 -5.130 14.931 -8.001 607 HA THR 76 HA THR 76 -2.360 15.473 -7.748 608 HB THR 76 HB THR 76 -3.470 13.195 -6.166 609 HG1 THR 76 1HG THR 76 -1.143 14.802 -5.815 610 1HG2 THR 76 1HG2 THR 76 -0.977 12.336 -6.250 611 2HG2 THR 76 2HG2 THR 76 -1.013 13.069 -7.853 612 3HG2 THR 76 3HG2 THR 76 -2.161 11.796 -7.440 613 H SER 77 H SER 77 -1.107 14.373 -9.297 614 HA SER 77 HA SER 77 -0.703 13.406 -11.311 615 1HB SER 77 2HB SER 77 -1.377 11.371 -9.939 616 2HB SER 77 1HB SER 77 -2.972 11.512 -10.678 617 HG SER 77 HG SER 77 -1.074 11.631 -12.571 618 H THR 78 H THR 78 -2.228 12.327 -13.297 619 HA THR 78 HA THR 78 -4.311 14.330 -13.826 620 HB THR 78 HB THR 78 -3.352 13.869 -16.323 621 HG1 THR 78 1HG THR 78 -1.038 14.028 -16.135 622 1HG2 THR 78 1HG2 THR 78 -2.113 16.056 -16.035 623 2HG2 THR 78 2HG2 THR 78 -2.548 15.979 -14.328 624 3HG2 THR 78 3HG2 THR 78 -3.810 16.069 -15.557 625 HA PRO 79 HA PRO 79 -7.353 11.507 -15.379 626 1HB PRO 79 2HB PRO 79 -6.138 12.187 -18.042 627 2HB PRO 79 1HB PRO 79 -7.845 11.913 -17.649 628 1HG PRO 79 2HG PRO 79 -6.838 14.392 -17.797 629 2HG PRO 79 1HG PRO 79 -8.058 13.963 -16.583 630 1HD PRO 79 2HD PRO 79 -5.229 14.629 -16.209 631 2HD PRO 79 1HD PRO 79 -6.527 14.529 -15.002 632 H GLY 80 H GLY 80 -6.889 9.428 -14.876 633 1HA GLY 80 2HA GLY 80 -6.343 7.334 -16.187 634 2HA GLY 80 1HA GLY 80 -4.765 8.072 -16.414 635 H SER 81 H SER 81 -6.985 6.768 -14.003 636 HA SER 81 HA SER 81 -4.881 6.668 -11.998 637 1HB SER 81 2HB SER 81 -7.599 5.432 -11.658 638 2HB SER 81 1HB SER 81 -6.546 6.150 -10.439 639 HG SER 81 HG SER 81 -7.523 7.770 -12.504 640 H ARG 82 H ARG 82 -3.739 4.900 -11.449 641 HA ARG 82 HA ARG 82 -3.829 2.611 -13.166 642 1HB ARG 82 2HB ARG 82 -2.208 3.278 -10.712 643 2HB ARG 82 1HB ARG 82 -2.047 1.750 -11.568 644 1HG ARG 82 2HG ARG 82 -1.815 3.578 -13.589 645 2HG ARG 82 1HG ARG 82 -1.020 4.393 -12.239 646 1HD ARG 82 2HD ARG 82 0.785 3.183 -12.732 647 2HD ARG 82 1HD ARG 82 -0.088 1.795 -12.083 648 HE ARG 82 HE ARG 82 -0.431 1.027 -14.229 649 1HH1 ARG 82 1HH1 ARG 82 0.892 4.252 -14.318 650 2HH1 ARG 82 2HH1 ARG 82 1.224 4.206 -16.017 651 1HH2 ARG 82 1HH2 ARG 82 0.005 0.958 -16.463 652 2HH2 ARG 82 2HH2 ARG 82 0.718 2.333 -17.238 653 H SER 83 H SER 83 -5.735 3.473 -10.644 654 HA SER 83 HA SER 83 -6.407 0.673 -10.070 655 1HB SER 83 2HB SER 83 -5.526 2.721 -8.170 656 2HB SER 83 1HB SER 83 -7.055 1.968 -7.720 657 HG SER 83 HG SER 83 -4.719 0.523 -8.421 658 H HIS 84 H HIS 84 -8.583 0.871 -8.575 659 HA HIS 84 HA HIS 84 -10.403 2.623 -10.097 660 1HB HIS 84 2HB HIS 84 -11.745 0.325 -8.964 661 2HB HIS 84 1HB HIS 84 -11.698 0.876 -10.634 662 HD2 HIS 84 2HD HIS 84 -10.419 -0.784 -12.301 663 HE1 HIS 84 1HE HIS 84 -8.310 -2.978 -9.359 664 HE2 HIS 84 2HE HIS 84 -8.996 -2.894 -11.799 665 H HIS 85 H HIS 85 -11.041 4.215 -8.800 666 HA HIS 85 HA HIS 85 -12.229 3.558 -6.231 667 1HB HIS 85 2HB HIS 85 -10.930 5.453 -5.140 668 2HB HIS 85 1HB HIS 85 -10.021 3.981 -5.468 669 HD2 HIS 85 2HD HIS 85 -8.250 4.165 -7.705 670 HE1 HIS 85 1HE HIS 85 -8.249 8.396 -7.621 671 HE2 HIS 85 2HE HIS 85 -7.221 6.336 -8.681 672 H HIS 86 H HIS 86 -13.145 4.538 -8.833 673 HA HIS 86 HA HIS 86 -13.978 7.277 -8.230 674 1HB HIS 86 2HB HIS 86 -13.852 5.614 -10.708 675 2HB HIS 86 1HB HIS 86 -15.027 6.922 -10.636 676 HD2 HIS 86 2HD HIS 86 -11.674 6.470 -11.967 677 HE1 HIS 86 1HE HIS 86 -11.680 10.435 -10.491 678 HE2 HIS 86 2HE HIS 86 -10.376 8.710 -11.814 679 H HIS 87 H HIS 87 -15.114 4.065 -8.116 680 HA HIS 87 HA HIS 87 -17.788 5.027 -7.407 681 1HB HIS 87 2HB HIS 87 -17.233 3.716 -9.833 682 2HB HIS 87 1HB HIS 87 -17.989 2.505 -8.802 683 HD2 HIS 87 2HD HIS 87 -20.498 3.620 -7.600 684 HE1 HIS 87 1HE HIS 87 -21.204 5.771 -11.176 685 HE2 HIS 87 2HE HIS 87 -22.270 4.776 -9.102 686 H HIS 88 H HIS 88 -19.085 3.255 -6.341 687 HA HIS 88 HA HIS 88 -17.430 2.002 -4.336 688 1HB HIS 88 2HB HIS 88 -19.680 1.251 -3.423 689 2HB HIS 88 1HB HIS 88 -19.420 2.990 -3.510 690 HD2 HIS 88 2HD HIS 88 -21.931 3.862 -3.957 691 HE1 HIS 88 1HE HIS 88 -22.741 1.386 -7.289 692 HE2 HIS 88 2HE HIS 88 -23.676 3.165 -5.745 693 H HIS 89 H HIS 89 -18.811 -0.282 -3.698 694 HA HIS 89 HA HIS 89 -18.827 -2.515 -4.122 695 1HB HIS 89 2HB HIS 89 -20.629 -1.610 -5.731 696 2HB HIS 89 1HB HIS 89 -19.434 -1.866 -6.999 697 HD2 HIS 89 2HD HIS 89 -20.237 -4.096 -8.242 698 HE1 HIS 89 1HE HIS 89 -21.016 -6.399 -4.778 699 HE2 HIS 89 2HE HIS 89 -20.763 -6.455 -7.300 Start of MODEL 30 1 1H MET 1 1HT MET 1 11.382 -14.318 -7.706 2 2H MET 1 2HT MET 1 10.113 -15.301 -7.176 3 3H MET 1 3HT MET 1 9.831 -14.120 -8.354 4 HA MET 1 HA MET 1 10.241 -16.687 -8.907 5 1HB MET 1 2HB MET 1 10.970 -15.754 -11.203 6 2HB MET 1 1HB MET 1 9.410 -15.257 -10.563 7 1HG MET 1 2HG MET 1 10.529 -13.190 -9.700 8 2HG MET 1 1HG MET 1 11.965 -13.678 -10.599 9 1HE MET 1 1HE MET 1 12.000 -14.249 -12.951 10 2HE MET 1 2HE MET 1 12.230 -12.525 -13.239 11 3HE MET 1 3HE MET 1 11.077 -13.435 -14.214 12 H ARG 2 H ARG 2 11.961 -17.536 -7.602 13 HA ARG 2 HA ARG 2 14.555 -17.345 -8.947 14 1HB ARG 2 2HB ARG 2 14.266 -15.934 -6.719 15 2HB ARG 2 1HB ARG 2 14.556 -17.498 -5.968 16 1HG ARG 2 2HG ARG 2 16.708 -17.659 -6.856 17 2HG ARG 2 1HG ARG 2 16.401 -16.407 -8.062 18 1HD ARG 2 2HD ARG 2 17.364 -14.971 -6.658 19 2HD ARG 2 1HD ARG 2 15.937 -15.145 -5.638 20 HE ARG 2 HE ARG 2 17.130 -16.596 -4.245 21 1HH1 ARG 2 1HH1 ARG 2 19.057 -15.510 -6.940 22 2HH1 ARG 2 2HH1 ARG 2 20.556 -16.016 -6.235 23 1HH2 ARG 2 1HH2 ARG 2 19.099 -17.260 -3.311 24 2HH2 ARG 2 2HH2 ARG 2 20.581 -17.010 -4.175 25 H GLY 3 H GLY 3 12.865 -19.371 -9.422 26 1HA GLY 3 2HA GLY 3 13.324 -21.683 -9.641 27 2HA GLY 3 1HA GLY 3 14.242 -21.617 -8.145 28 H SER 4 H SER 4 12.708 -23.683 -8.201 29 HA SER 4 HA SER 4 10.209 -22.969 -6.815 30 1HB SER 4 2HB SER 4 10.209 -24.388 -9.001 31 2HB SER 4 1HB SER 4 10.758 -25.696 -7.954 32 HG SER 4 HG SER 4 8.861 -25.104 -6.620 33 H ASN 5 H ASN 5 10.830 -22.856 -4.707 34 HA ASN 5 HA ASN 5 11.969 -25.312 -3.549 35 1HB ASN 5 2HB ASN 5 13.534 -23.281 -3.658 36 2HB ASN 5 1HB ASN 5 12.496 -22.565 -2.429 37 1HD2 ASN 5 1HD2 ASN 5 12.442 -23.463 -0.368 38 2HD2 ASN 5 2HD2 ASN 5 13.668 -24.543 0.192 39 H ALA 6 H ALA 6 10.886 -22.355 -1.938 40 HA ALA 6 HA ALA 6 8.742 -23.934 -0.673 41 1HB ALA 6 1HB ALA 6 9.366 -23.254 1.366 42 2HB ALA 6 2HB ALA 6 9.663 -21.601 0.827 43 3HB ALA 6 3HB ALA 6 10.899 -22.839 0.600 44 HA PRO 7 HA PRO 7 6.517 -20.656 -2.994 45 1HB PRO 7 2HB PRO 7 4.275 -22.513 -2.492 46 2HB PRO 7 1HB PRO 7 4.833 -21.809 -4.012 47 1HG PRO 7 2HG PRO 7 5.238 -24.392 -3.454 48 2HG PRO 7 1HG PRO 7 6.447 -23.436 -4.329 49 1HD PRO 7 2HD PRO 7 6.403 -24.261 -1.449 50 2HD PRO 7 1HD PRO 7 7.766 -24.219 -2.588 51 H GLN 8 H GLN 8 3.923 -20.136 -2.409 52 HA GLN 8 HA GLN 8 4.007 -19.426 0.449 53 1HB GLN 8 2HB GLN 8 2.627 -17.471 -0.151 54 2HB GLN 8 1HB GLN 8 4.181 -17.469 -0.972 55 1HG GLN 8 2HG GLN 8 3.087 -18.350 -2.992 56 2HG GLN 8 1HG GLN 8 1.535 -18.270 -2.162 57 1HE2 GLN 8 1HE2 GLN 8 0.890 -16.882 -3.908 58 2HE2 GLN 8 2HE2 GLN 8 1.302 -15.205 -3.872 59 HA PRO 9 HA PRO 9 0.217 -21.681 0.895 60 1HB PRO 9 2HB PRO 9 -0.598 -20.773 3.277 61 2HB PRO 9 1HB PRO 9 0.862 -21.758 3.119 62 1HG PRO 9 2HG PRO 9 0.596 -18.792 3.417 63 2HG PRO 9 1HG PRO 9 1.750 -19.894 4.188 64 1HD PRO 9 2HD PRO 9 2.320 -18.350 1.983 65 2HD PRO 9 1HD PRO 9 3.162 -19.858 2.390 66 H SER 10 H SER 10 -0.376 -19.959 -0.992 67 HA SER 10 HA SER 10 -2.063 -18.788 -1.960 68 1HB SER 10 2HB SER 10 -3.441 -19.687 0.559 69 2HB SER 10 1HB SER 10 -4.258 -18.641 -0.601 70 HG SER 10 HG SER 10 -3.672 -21.313 -0.754 71 H HIS 11 H HIS 11 -0.423 -17.772 0.698 72 HA HIS 11 HA HIS 11 -1.216 -15.009 0.248 73 1HB HIS 11 2HB HIS 11 -1.295 -16.331 2.967 74 2HB HIS 11 1HB HIS 11 -1.289 -14.585 2.730 75 HD2 HIS 11 2HD HIS 11 -3.750 -17.346 3.183 76 HE1 HIS 11 1HE HIS 11 -5.806 -14.278 1.118 77 HE2 HIS 11 2HE HIS 11 -6.033 -16.528 2.263 78 H ILE 12 H ILE 12 0.280 -13.532 1.604 79 HA ILE 12 HA ILE 12 3.012 -14.550 1.267 80 HB ILE 12 HB ILE 12 2.353 -12.467 0.066 81 1HG1 ILE 12 2HG1 ILE 12 4.335 -11.247 1.734 82 2HG1 ILE 12 1HG1 ILE 12 4.680 -12.972 1.621 83 1HG2 ILE 12 1HG2 ILE 12 1.727 -11.637 2.839 84 2HG2 ILE 12 2HG2 ILE 12 0.939 -11.209 1.319 85 3HG2 ILE 12 3HG2 ILE 12 2.451 -10.427 1.780 86 1HD1 ILE 12 1HD1 ILE 12 4.012 -11.805 -0.949 87 2HD1 ILE 12 2HD1 ILE 12 5.396 -12.787 -0.471 88 3HD1 ILE 12 3HD1 ILE 12 5.413 -11.047 -0.192 89 H SER 13 H SER 13 4.643 -13.982 2.852 90 HA SER 13 HA SER 13 3.897 -14.570 5.488 91 1HB SER 13 2HB SER 13 6.298 -14.309 4.094 92 2HB SER 13 1HB SER 13 6.379 -13.053 5.330 93 HG SER 13 HG SER 13 6.338 -14.544 6.879 94 H LYS 14 H LYS 14 4.639 -11.488 3.888 95 HA LYS 14 HA LYS 14 2.835 -10.017 5.470 96 1HB LYS 14 2HB LYS 14 4.581 -8.594 6.652 97 2HB LYS 14 1HB LYS 14 4.291 -10.198 7.311 98 1HG LYS 14 2HG LYS 14 6.401 -10.210 5.326 99 2HG LYS 14 1HG LYS 14 6.738 -9.099 6.655 100 1HD LYS 14 2HD LYS 14 6.238 -10.944 8.247 101 2HD LYS 14 1HD LYS 14 6.070 -12.032 6.868 102 1HE LYS 14 2HE LYS 14 8.257 -12.412 7.028 103 2HE LYS 14 1HE LYS 14 8.506 -10.762 6.457 104 1HZ LYS 14 1HZ LYS 14 8.709 -9.978 8.652 105 2HZ LYS 14 2HZ LYS 14 9.651 -11.382 8.591 106 3HZ LYS 14 3HZ LYS 14 8.126 -11.418 9.320 107 H TYR 15 H TYR 15 2.530 -7.946 4.732 108 HA TYR 15 HA TYR 15 4.069 -7.172 2.343 109 1HB TYR 15 2HB TYR 15 1.237 -6.742 3.217 110 2HB TYR 15 1HB TYR 15 1.987 -5.523 2.198 111 HD1 TYR 15 1HD TYR 15 3.250 -6.594 0.069 112 HD2 TYR 15 2HD TYR 15 0.000 -8.366 2.170 113 HE1 TYR 15 1HE TYR 15 2.671 -7.896 -1.934 114 HE2 TYR 15 2HE TYR 15 -0.586 -9.673 0.176 115 HH TYR 15 HH TYR 15 -0.042 -9.169 -2.584 116 H ILE 16 H ILE 16 5.143 -5.202 2.305 117 HA ILE 16 HA ILE 16 4.854 -3.554 4.725 118 HB ILE 16 HB ILE 16 7.269 -4.476 3.329 119 1HG1 ILE 16 2HG1 ILE 16 6.701 -4.973 5.689 120 2HG1 ILE 16 1HG1 ILE 16 8.245 -4.137 5.540 121 1HG2 ILE 16 1HG2 ILE 16 7.682 -2.364 2.512 122 2HG2 ILE 16 2HG2 ILE 16 8.417 -2.243 4.112 123 3HG2 ILE 16 3HG2 ILE 16 6.812 -1.566 3.824 124 1HD1 ILE 16 1HD1 ILE 16 7.545 -2.517 6.881 125 2HD1 ILE 16 2HD1 ILE 16 6.068 -3.442 7.152 126 3HD1 ILE 16 3HD1 ILE 16 6.127 -2.230 5.871 127 H LEU 17 H LEU 17 4.172 -1.560 4.473 128 HA LEU 17 HA LEU 17 4.164 -0.438 1.755 129 1HB LEU 17 2HB LEU 17 2.025 -0.893 3.527 130 2HB LEU 17 1HB LEU 17 2.279 0.835 3.490 131 HG LEU 17 HG LEU 17 2.034 -0.767 0.965 132 1HD1 LEU 17 1HD1 LEU 17 -0.365 -0.004 0.965 133 2HD1 LEU 17 2HD1 LEU 17 -0.161 0.404 2.669 134 3HD1 LEU 17 3HD1 LEU 17 0.018 -1.268 2.134 135 1HD2 LEU 17 1HD2 LEU 17 2.479 1.212 0.080 136 2HD2 LEU 17 2HD2 LEU 17 2.435 1.984 1.664 137 3HD2 LEU 17 3HD2 LEU 17 0.949 1.795 0.734 138 H ARG 18 H ARG 18 5.536 1.161 1.531 139 HA ARG 18 HA ARG 18 6.056 2.898 3.849 140 1HB ARG 18 2HB ARG 18 8.154 3.057 1.904 141 2HB ARG 18 1HB ARG 18 8.246 2.557 3.588 142 1HG ARG 18 2HG ARG 18 7.186 0.340 2.484 143 2HG ARG 18 1HG ARG 18 8.155 0.940 1.136 144 1HD ARG 18 2HD ARG 18 9.368 0.820 3.854 145 2HD ARG 18 1HD ARG 18 9.175 -0.677 2.937 146 HE ARG 18 HE ARG 18 10.383 0.878 1.143 147 1HH1 ARG 18 1HH1 ARG 18 11.080 0.360 4.519 148 2HH1 ARG 18 2HH1 ARG 18 12.784 0.613 4.337 149 1HH2 ARG 18 1HH2 ARG 18 12.623 1.215 0.895 150 2HH2 ARG 18 2HH2 ARG 18 13.661 1.099 2.278 151 H TRP 19 H TRP 19 5.618 4.999 3.618 152 HA TRP 19 HA TRP 19 5.744 6.227 1.016 153 1HB TRP 19 2HB TRP 19 3.524 6.789 0.706 154 2HB TRP 19 1HB TRP 19 3.386 5.168 1.373 155 HD1 TRP 19 HD TRP 19 2.521 8.785 2.079 156 HE1 TRP 19 1HE TRP 19 1.053 8.899 4.195 157 HE3 TRP 19 3HE TRP 19 2.965 3.935 3.647 158 HZ2 TRP 19 2HZ TRP 19 0.192 7.160 6.248 159 HZ3 TRP 19 3HZ TRP 19 1.780 3.238 5.687 160 HH2 TRP 19 HH TRP 19 0.424 4.820 6.962 161 H ARG 20 H ARG 20 6.027 8.402 1.039 162 HA ARG 20 HA ARG 20 5.792 9.870 3.540 163 1HB ARG 20 2HB ARG 20 7.965 9.787 4.054 164 2HB ARG 20 1HB ARG 20 8.278 8.790 2.645 165 1HG ARG 20 2HG ARG 20 8.045 11.725 2.247 166 2HG ARG 20 1HG ARG 20 9.498 11.099 3.028 167 1HD ARG 20 2HD ARG 20 9.044 9.418 0.841 168 2HD ARG 20 1HD ARG 20 8.743 11.049 0.245 169 HE ARG 20 HE ARG 20 11.265 9.913 0.920 170 1HH1 ARG 20 1HH1 ARG 20 9.475 12.903 0.904 171 2HH1 ARG 20 2HH1 ARG 20 10.888 13.898 0.789 172 1HH2 ARG 20 1HH2 ARG 20 13.128 11.216 0.770 173 2HH2 ARG 20 2HH2 ARG 20 12.964 12.940 0.712 174 HA PRO 21 HA PRO 21 4.523 13.211 0.980 175 1HB PRO 21 2HB PRO 21 6.393 14.919 2.559 176 2HB PRO 21 1HB PRO 21 4.668 15.143 2.227 177 1HG PRO 21 2HG PRO 21 5.405 14.301 4.609 178 2HG PRO 21 1HG PRO 21 4.036 13.526 3.785 179 1HD PRO 21 2HD PRO 21 6.854 12.555 4.046 180 2HD PRO 21 1HD PRO 21 5.336 11.661 4.253 181 H LYS 22 H LYS 22 5.113 13.648 -1.002 182 HA LYS 22 HA LYS 22 7.909 13.631 -1.772 183 1HB LYS 22 2HB LYS 22 5.291 13.456 -3.177 184 2HB LYS 22 1HB LYS 22 6.647 14.115 -4.082 185 1HG LYS 22 2HG LYS 22 7.923 12.023 -3.357 186 2HG LYS 22 1HG LYS 22 6.346 11.383 -2.890 187 1HD LYS 22 2HD LYS 22 6.589 10.597 -5.057 188 2HD LYS 22 1HD LYS 22 5.634 12.063 -5.286 189 1HE LYS 22 2HE LYS 22 8.310 12.882 -5.363 190 2HE LYS 22 1HE LYS 22 8.241 11.398 -6.312 191 1HZ LYS 22 1HZ LYS 22 7.711 12.958 -7.877 192 2HZ LYS 22 2HZ LYS 22 6.907 13.968 -6.785 193 3HZ LYS 22 3HZ LYS 22 6.161 12.555 -7.334 194 H ASN 23 H ASN 23 5.242 15.881 -1.479 195 HA ASN 23 HA ASN 23 6.874 18.049 -2.582 196 1HB ASN 23 2HB ASN 23 4.563 17.803 -3.414 197 2HB ASN 23 1HB ASN 23 3.961 18.025 -1.775 198 1HD2 ASN 23 1HD2 ASN 23 2.773 19.834 -2.375 199 2HD2 ASN 23 2HD2 ASN 23 3.523 21.357 -2.704 200 H SER 24 H SER 24 5.059 17.176 0.336 201 HA SER 24 HA SER 24 5.993 19.519 1.754 202 1HB SER 24 2HB SER 24 3.779 17.887 2.011 203 2HB SER 24 1HB SER 24 4.784 17.402 3.376 204 HG SER 24 HG SER 24 4.846 20.039 3.253 205 H VAL 25 H VAL 25 7.099 16.385 1.135 206 HA VAL 25 HA VAL 25 8.803 15.102 1.887 207 HB VAL 25 HB VAL 25 10.819 16.129 2.147 208 1HG1 VAL 25 1HG1 VAL 25 10.770 17.521 0.420 209 2HG1 VAL 25 2HG1 VAL 25 9.934 18.752 1.367 210 3HG1 VAL 25 3HG1 VAL 25 9.008 17.507 0.529 211 1HG2 VAL 25 1HG2 VAL 25 10.646 18.639 3.238 212 2HG2 VAL 25 2HG2 VAL 25 11.095 17.172 4.107 213 3HG2 VAL 25 3HG2 VAL 25 9.427 17.741 4.142 214 H GLY 26 H GLY 26 10.166 14.495 3.874 215 1HA GLY 26 2HA GLY 26 9.905 15.059 6.439 216 2HA GLY 26 1HA GLY 26 8.311 14.388 6.131 217 H ARG 27 H ARG 27 8.385 12.527 7.260 218 HA ARG 27 HA ARG 27 10.604 10.676 6.695 219 1HB ARG 27 2HB ARG 27 10.239 11.421 9.081 220 2HB ARG 27 1HB ARG 27 8.706 10.560 9.040 221 1HG ARG 27 2HG ARG 27 9.960 8.481 8.499 222 2HG ARG 27 1HG ARG 27 11.458 9.382 8.739 223 1HD ARG 27 2HD ARG 27 9.366 9.381 10.871 224 2HD ARG 27 1HD ARG 27 10.437 7.991 10.696 225 HE ARG 27 HE ARG 27 12.264 9.360 11.285 226 1HH1 ARG 27 1HH1 ARG 27 9.225 11.061 11.359 227 2HH1 ARG 27 2HH1 ARG 27 9.830 12.365 12.325 228 1HH2 ARG 27 1HH2 ARG 27 13.071 11.074 12.557 229 2HH2 ARG 27 2HH2 ARG 27 12.016 12.373 13.004 230 H TRP 28 H TRP 28 10.113 8.428 6.453 231 HA TRP 28 HA TRP 28 7.758 7.981 4.870 232 1HB TRP 28 2HB TRP 28 10.018 6.179 5.748 233 2HB TRP 28 1HB TRP 28 8.675 5.618 4.759 234 HD1 TRP 28 HD TRP 28 11.702 7.990 4.604 235 HE1 TRP 28 1HE TRP 28 12.294 8.382 2.131 236 HE3 TRP 28 3HE TRP 28 7.761 5.568 2.432 237 HZ2 TRP 28 2HZ TRP 28 11.232 7.745 -0.407 238 HZ3 TRP 28 3HZ TRP 28 7.620 5.506 -0.024 239 HH2 TRP 28 HH TRP 28 9.323 6.571 -1.412 240 H LYS 29 H LYS 29 6.612 5.766 5.269 241 HA LYS 29 HA LYS 29 6.070 5.334 8.116 242 1HB LYS 29 2HB LYS 29 4.199 6.436 6.117 243 2HB LYS 29 1HB LYS 29 3.560 5.102 7.066 244 1HG LYS 29 2HG LYS 29 3.257 6.403 8.834 245 2HG LYS 29 1HG LYS 29 4.911 7.014 8.748 246 1HD LYS 29 2HD LYS 29 4.310 8.759 7.302 247 2HD LYS 29 1HD LYS 29 2.772 8.001 6.888 248 1HE LYS 29 2HE LYS 29 3.186 8.642 9.740 249 2HE LYS 29 1HE LYS 29 3.015 10.019 8.652 250 1HZ LYS 29 1HZ LYS 29 1.060 7.976 9.386 251 2HZ LYS 29 2HZ LYS 29 0.991 8.584 7.810 252 3HZ LYS 29 3HZ LYS 29 0.846 9.635 9.128 253 H GLU 30 H GLU 30 5.745 3.192 8.597 254 HA GLU 30 HA GLU 30 5.563 1.372 6.283 255 1HB GLU 30 2HB GLU 30 6.739 -0.242 8.015 256 2HB GLU 30 1HB GLU 30 7.666 0.865 7.014 257 1HG GLU 30 2HG GLU 30 7.628 2.485 8.919 258 2HG GLU 30 1HG GLU 30 6.905 1.211 9.901 259 H ALA 31 H ALA 31 4.020 -0.096 6.256 260 HA ALA 31 HA ALA 31 2.595 -0.778 8.732 261 1HB ALA 31 1HB ALA 31 1.528 0.727 6.524 262 2HB ALA 31 2HB ALA 31 0.770 0.308 8.061 263 3HB ALA 31 3HB ALA 31 0.666 -0.802 6.694 264 H THR 32 H THR 32 2.373 -2.931 8.964 265 HA THR 32 HA THR 32 3.043 -4.605 6.655 266 HB THR 32 HB THR 32 2.834 -5.687 9.436 267 HG1 THR 32 1HG THR 32 4.216 -3.687 9.261 268 1HG2 THR 32 1HG2 THR 32 3.768 -7.493 8.515 269 2HG2 THR 32 2HG2 THR 32 5.064 -6.532 7.805 270 3HG2 THR 32 3HG2 THR 32 3.538 -6.730 6.942 271 H ILE 33 H ILE 33 1.680 -5.974 5.750 272 HA ILE 33 HA ILE 33 -0.774 -6.764 7.145 273 HB ILE 33 HB ILE 33 -1.222 -6.285 4.294 274 1HG1 ILE 33 2HG1 ILE 33 -1.610 -3.710 5.218 275 2HG1 ILE 33 1HG1 ILE 33 -0.056 -4.149 5.918 276 1HG2 ILE 33 1HG2 ILE 33 -3.179 -4.969 5.504 277 2HG2 ILE 33 2HG2 ILE 33 -2.636 -5.938 6.874 278 3HG2 ILE 33 3HG2 ILE 33 -3.162 -6.728 5.389 279 1HD1 ILE 33 1HD1 ILE 33 0.874 -4.574 3.776 280 2HD1 ILE 33 2HD1 ILE 33 0.058 -3.011 3.704 281 3HD1 ILE 33 3HD1 ILE 33 -0.703 -4.437 2.999 282 HA PRO 34 HA PRO 34 0.997 -10.443 5.203 283 1HB PRO 34 2HB PRO 34 0.041 -12.243 6.948 284 2HB PRO 34 1HB PRO 34 1.409 -11.193 7.336 285 1HG PRO 34 2HG PRO 34 -1.446 -10.983 8.180 286 2HG PRO 34 1HG PRO 34 0.026 -10.625 9.097 287 1HD PRO 34 2HD PRO 34 -1.581 -8.738 7.846 288 2HD PRO 34 1HD PRO 34 0.104 -8.484 8.336 289 H GLY 35 H GLY 35 -0.119 -10.628 3.303 290 1HA GLY 35 2HA GLY 35 -1.532 -11.777 1.879 291 2HA GLY 35 1HA GLY 35 -2.306 -12.493 3.282 292 H HIS 36 H HIS 36 -2.202 -9.137 3.566 293 HA HIS 36 HA HIS 36 -3.843 -7.552 3.559 294 1HB HIS 36 2HB HIS 36 -3.802 -8.757 0.905 295 2HB HIS 36 1HB HIS 36 -5.377 -8.078 1.300 296 HD2 HIS 36 2HD HIS 36 -2.495 -6.083 2.819 297 HE1 HIS 36 1HE HIS 36 -3.677 -4.134 -0.747 298 HE2 HIS 36 2HE HIS 36 -2.183 -4.005 1.298 299 H LEU 37 H LEU 37 -4.958 -8.287 5.383 300 HA LEU 37 HA LEU 37 -6.906 -10.331 5.330 301 1HB LEU 37 2HB LEU 37 -6.946 -8.054 7.285 302 2HB LEU 37 1HB LEU 37 -7.446 -9.714 7.533 303 HG LEU 37 HG LEU 37 -5.479 -9.656 8.722 304 1HD1 LEU 37 1HD1 LEU 37 -5.201 -11.504 7.280 305 2HD1 LEU 37 2HD1 LEU 37 -3.649 -10.666 7.306 306 3HD1 LEU 37 3HD1 LEU 37 -4.731 -10.474 5.927 307 1HD2 LEU 37 1HD2 LEU 37 -5.024 -7.296 7.473 308 2HD2 LEU 37 2HD2 LEU 37 -3.738 -8.293 6.793 309 3HD2 LEU 37 3HD2 LEU 37 -3.874 -8.101 8.541 310 H ASN 38 H ASN 38 -6.980 -7.030 4.376 311 HA ASN 38 HA ASN 38 -9.586 -7.283 3.275 312 1HB ASN 38 2HB ASN 38 -10.676 -5.488 4.612 313 2HB ASN 38 1HB ASN 38 -10.333 -6.938 5.552 314 1HD2 ASN 38 1HD2 ASN 38 -9.810 -3.593 5.208 315 2HD2 ASN 38 2HD2 ASN 38 -8.752 -3.382 6.556 316 H SER 39 H SER 39 -10.356 -4.748 2.865 317 HA SER 39 HA SER 39 -8.329 -3.771 1.082 318 1HB SER 39 2HB SER 39 -10.374 -1.857 1.220 319 2HB SER 39 1HB SER 39 -10.191 -3.128 0.011 320 HG SER 39 HG SER 39 -12.218 -3.287 0.983 321 H TYR 40 H TYR 40 -6.636 -2.736 1.935 322 HA TYR 40 HA TYR 40 -7.127 -0.764 4.060 323 1HB TYR 40 2HB TYR 40 -5.566 -2.526 4.700 324 2HB TYR 40 1HB TYR 40 -4.573 -2.191 3.286 325 HD1 TYR 40 1HD TYR 40 -6.132 0.197 5.689 326 HD2 TYR 40 2HD TYR 40 -2.534 -1.480 4.156 327 HE1 TYR 40 1HE TYR 40 -4.826 1.819 6.995 328 HE2 TYR 40 2HE TYR 40 -1.219 0.137 5.460 329 HH TYR 40 HH TYR 40 -2.389 1.859 7.972 330 H THR 41 H THR 41 -7.361 1.210 3.262 331 HA THR 41 HA THR 41 -5.498 2.097 1.155 332 HB THR 41 HB THR 41 -7.912 3.705 1.330 333 HG1 THR 41 1HG THR 41 -8.688 1.497 1.861 334 1HG2 THR 41 1HG2 THR 41 -7.754 2.533 -1.180 335 2HG2 THR 41 2HG2 THR 41 -6.077 2.630 -0.645 336 3HG2 THR 41 3HG2 THR 41 -7.070 4.087 -0.705 337 H ILE 42 H ILE 42 -4.210 3.731 1.701 338 HA ILE 42 HA ILE 42 -4.508 4.995 4.279 339 HB ILE 42 HB ILE 42 -2.433 5.353 2.113 340 1HG1 ILE 42 2HG1 ILE 42 -1.482 4.306 4.622 341 2HG1 ILE 42 1HG1 ILE 42 -2.827 3.329 4.041 342 1HG2 ILE 42 1HG2 ILE 42 -2.882 6.776 4.670 343 2HG2 ILE 42 2HG2 ILE 42 -2.162 7.344 3.165 344 3HG2 ILE 42 3HG2 ILE 42 -1.221 6.341 4.269 345 1HD1 ILE 42 1HD1 ILE 42 -1.554 3.307 1.806 346 2HD1 ILE 42 2HD1 ILE 42 -0.971 2.298 3.128 347 3HD1 ILE 42 3HD1 ILE 42 -0.171 3.827 2.769 348 H LYS 43 H LYS 43 -5.678 6.769 4.608 349 HA LYS 43 HA LYS 43 -5.781 8.790 2.481 350 1HB LYS 43 2HB LYS 43 -7.990 7.259 3.550 351 2HB LYS 43 1HB LYS 43 -8.231 8.982 3.814 352 1HG LYS 43 2HG LYS 43 -9.006 9.069 1.738 353 2HG LYS 43 1HG LYS 43 -7.336 8.841 1.209 354 1HD LYS 43 2HD LYS 43 -7.716 6.379 1.288 355 2HD LYS 43 1HD LYS 43 -9.415 6.697 1.646 356 1HE LYS 43 2HE LYS 43 -9.845 6.934 -0.518 357 2HE LYS 43 1HE LYS 43 -8.667 8.242 -0.622 358 1HZ LYS 43 1HZ LYS 43 -8.154 6.451 -2.164 359 2HZ LYS 43 2HZ LYS 43 -8.054 5.347 -0.887 360 3HZ LYS 43 3HZ LYS 43 -6.933 6.607 -1.003 361 H GLY 44 H GLY 44 -4.077 9.720 3.805 362 1HA GLY 44 2HA GLY 44 -5.227 11.381 5.947 363 2HA GLY 44 1HA GLY 44 -3.704 10.540 6.213 364 H LEU 45 H LEU 45 -4.403 11.704 3.058 365 HA LEU 45 HA LEU 45 -2.270 13.689 3.323 366 1HB LEU 45 2HB LEU 45 -3.479 13.080 0.670 367 2HB LEU 45 1HB LEU 45 -1.814 13.415 1.093 368 HG LEU 45 HG LEU 45 -1.771 11.197 0.394 369 1HD1 LEU 45 1HD1 LEU 45 -2.196 10.351 3.156 370 2HD1 LEU 45 2HD1 LEU 45 -1.129 11.747 2.981 371 3HD1 LEU 45 3HD1 LEU 45 -0.759 10.242 2.137 372 1HD2 LEU 45 1HD2 LEU 45 -3.914 10.469 0.103 373 2HD2 LEU 45 2HD2 LEU 45 -4.435 11.013 1.698 374 3HD2 LEU 45 3HD2 LEU 45 -3.468 9.548 1.539 375 H LYS 46 H LYS 46 -3.073 15.210 1.004 376 HA LYS 46 HA LYS 46 -5.696 16.255 1.417 377 1HB LYS 46 2HB LYS 46 -4.880 18.553 2.064 378 2HB LYS 46 1HB LYS 46 -4.770 17.337 3.326 379 1HG LYS 46 2HG LYS 46 -2.335 17.055 2.379 380 2HG LYS 46 1HG LYS 46 -2.615 18.697 1.799 381 1HD LYS 46 2HD LYS 46 -2.204 19.502 3.828 382 2HD LYS 46 1HD LYS 46 -3.505 18.518 4.501 383 1HE LYS 46 2HE LYS 46 -2.084 16.863 5.186 384 2HE LYS 46 1HE LYS 46 -0.918 17.186 3.903 385 1HZ LYS 46 1HZ LYS 46 -1.046 18.247 6.570 386 2HZ LYS 46 2HZ LYS 46 -0.843 19.447 5.394 387 3HZ LYS 46 3HZ LYS 46 0.261 18.170 5.498 388 HA PRO 47 HA PRO 47 -5.275 17.606 -2.741 389 1HB PRO 47 2HB PRO 47 -6.356 20.164 -2.585 390 2HB PRO 47 1HB PRO 47 -7.281 18.674 -2.791 391 1HG PRO 47 2HG PRO 47 -6.732 20.241 -0.308 392 2HG PRO 47 1HG PRO 47 -8.217 19.409 -0.808 393 1HD PRO 47 2HD PRO 47 -6.593 18.349 1.030 394 2HD PRO 47 1HD PRO 47 -7.410 17.325 -0.171 395 H GLY 48 H GLY 48 -3.270 18.004 -3.464 396 1HA GLY 48 2HA GLY 48 -1.949 19.963 -4.263 397 2HA GLY 48 1HA GLY 48 -1.987 20.520 -2.599 398 H VAL 49 H VAL 49 -1.606 17.624 -1.707 399 HA VAL 49 HA VAL 49 1.274 17.496 -2.327 400 HB VAL 49 HB VAL 49 0.777 16.153 0.124 401 1HG1 VAL 49 1HG1 VAL 49 2.922 16.976 -0.435 402 2HG1 VAL 49 2HG1 VAL 49 2.374 17.907 0.961 403 3HG1 VAL 49 3HG1 VAL 49 2.313 18.617 -0.653 404 1HG2 VAL 49 1HG2 VAL 49 -0.897 18.461 -0.199 405 2HG2 VAL 49 2HG2 VAL 49 0.296 18.746 1.067 406 3HG2 VAL 49 3HG2 VAL 49 -0.775 17.346 1.162 407 H VAL 50 H VAL 50 2.164 15.616 -2.859 408 HA VAL 50 HA VAL 50 0.425 13.243 -2.872 409 HB VAL 50 HB VAL 50 1.273 14.232 -5.146 410 1HG1 VAL 50 1HG1 VAL 50 3.416 13.226 -5.844 411 2HG1 VAL 50 2HG1 VAL 50 3.673 12.694 -4.181 412 3HG1 VAL 50 3HG1 VAL 50 3.614 14.419 -4.559 413 1HG2 VAL 50 1HG2 VAL 50 0.932 11.491 -4.164 414 2HG2 VAL 50 2HG2 VAL 50 1.819 11.616 -5.685 415 3HG2 VAL 50 3HG2 VAL 50 0.198 12.297 -5.553 416 H TYR 51 H TYR 51 1.369 11.268 -2.317 417 HA TYR 51 HA TYR 51 3.893 11.517 -0.830 418 1HB TYR 51 2HB TYR 51 1.464 9.805 -0.312 419 2HB TYR 51 1HB TYR 51 3.009 9.540 0.488 420 HD1 TYR 51 1HD TYR 51 3.355 10.542 2.539 421 HD2 TYR 51 2HD TYR 51 0.570 12.298 -0.154 422 HE1 TYR 51 1HE TYR 51 2.768 12.205 4.245 423 HE2 TYR 51 2HE TYR 51 -0.034 13.966 1.548 424 HH TYR 51 HH TYR 51 0.161 14.534 3.718 425 H GLU 52 H GLU 52 5.453 9.946 -1.069 426 HA GLU 52 HA GLU 52 5.315 8.430 -3.533 427 1HB GLU 52 2HB GLU 52 7.381 9.580 -2.178 428 2HB GLU 52 1HB GLU 52 7.533 7.913 -1.640 429 1HG GLU 52 2HG GLU 52 8.022 7.133 -3.747 430 2HG GLU 52 1HG GLU 52 7.256 8.504 -4.548 431 H GLY 53 H GLY 53 4.705 6.313 -3.682 432 1HA GLY 53 2HA GLY 53 4.467 4.851 -1.122 433 2HA GLY 53 1HA GLY 53 3.266 4.739 -2.394 434 H GLN 54 H GLN 54 5.305 2.895 -0.955 435 HA GLN 54 HA GLN 54 6.041 1.459 -3.402 436 1HB GLN 54 2HB GLN 54 8.005 2.700 -2.334 437 2HB GLN 54 1HB GLN 54 7.862 1.559 -1.005 438 1HG GLN 54 2HG GLN 54 8.351 -0.283 -2.427 439 2HG GLN 54 1HG GLN 54 8.245 0.730 -3.866 440 1HE2 GLN 54 1HE2 GLN 54 9.719 2.854 -3.377 441 2HE2 GLN 54 2HE2 GLN 54 11.358 2.436 -3.029 442 H LEU 55 H LEU 55 5.045 -0.444 -3.381 443 HA LEU 55 HA LEU 55 4.374 -1.666 -0.802 444 1HB LEU 55 2HB LEU 55 2.739 -1.266 -2.854 445 2HB LEU 55 1HB LEU 55 3.410 -2.797 -3.375 446 HG LEU 55 HG LEU 55 1.734 -3.701 -2.203 447 1HD1 LEU 55 1HD1 LEU 55 2.303 -4.452 -0.122 448 2HD1 LEU 55 2HD1 LEU 55 2.947 -2.889 0.385 449 3HD1 LEU 55 3HD1 LEU 55 3.873 -3.910 -0.716 450 1HD2 LEU 55 1HD2 LEU 55 1.481 -0.972 -1.133 451 2HD2 LEU 55 2HD2 LEU 55 0.808 -2.266 -0.139 452 3HD2 LEU 55 3HD2 LEU 55 0.256 -2.052 -1.801 453 H ILE 56 H ILE 56 5.937 -2.933 -0.080 454 HA ILE 56 HA ILE 56 7.332 -4.671 -1.998 455 HB ILE 56 HB ILE 56 8.269 -3.875 0.759 456 1HG1 ILE 56 2HG1 ILE 56 9.989 -2.614 -0.836 457 2HG1 ILE 56 1HG1 ILE 56 8.602 -2.605 -1.917 458 1HG2 ILE 56 1HG2 ILE 56 10.006 -4.889 -1.444 459 2HG2 ILE 56 2HG2 ILE 56 9.060 -6.031 -0.488 460 3HG2 ILE 56 3HG2 ILE 56 10.240 -4.982 0.302 461 1HD1 ILE 56 1HD1 ILE 56 8.789 -0.552 -0.585 462 2HD1 ILE 56 2HD1 ILE 56 8.614 -1.511 0.885 463 3HD1 ILE 56 3HD1 ILE 56 7.287 -1.423 -0.273 464 H SER 57 H SER 57 6.628 -6.683 -1.992 465 HA SER 57 HA SER 57 5.280 -7.800 0.306 466 1HB SER 57 2HB SER 57 5.960 -9.493 -2.040 467 2HB SER 57 1HB SER 57 4.461 -9.395 -1.116 468 HG SER 57 HG SER 57 4.529 -7.112 -2.187 469 H ILE 58 H ILE 58 6.054 -9.345 1.636 470 HA ILE 58 HA ILE 58 8.874 -10.102 1.286 471 HB ILE 58 HB ILE 58 7.382 -9.855 3.896 472 1HG1 ILE 58 2HG1 ILE 58 9.554 -8.006 3.582 473 2HG1 ILE 58 1HG1 ILE 58 8.454 -7.841 2.216 474 1HG2 ILE 58 1HG2 ILE 58 9.917 -11.022 3.138 475 2HG2 ILE 58 2HG2 ILE 58 9.058 -11.097 4.677 476 3HG2 ILE 58 3HG2 ILE 58 10.124 -9.736 4.328 477 1HD1 ILE 58 1HD1 ILE 58 8.137 -6.493 4.473 478 2HD1 ILE 58 2HD1 ILE 58 7.254 -7.952 4.918 479 3HD1 ILE 58 3HD1 ILE 58 6.771 -7.029 3.496 480 H GLN 59 H GLN 59 8.980 -12.118 0.558 481 HA GLN 59 HA GLN 59 7.007 -14.095 1.323 482 1HB GLN 59 2HB GLN 59 8.298 -13.716 -0.992 483 2HB GLN 59 1HB GLN 59 9.411 -14.850 -0.245 484 1HG GLN 59 2HG GLN 59 7.954 -16.169 -1.499 485 2HG GLN 59 1HG GLN 59 7.389 -16.329 0.164 486 1HE2 GLN 59 1HE2 GLN 59 5.389 -15.615 0.707 487 2HE2 GLN 59 2HE2 GLN 59 4.252 -14.979 -0.427 488 H GLN 60 H GLN 60 8.250 -16.409 1.549 489 HA GLN 60 HA GLN 60 9.236 -16.432 4.171 490 1HB GLN 60 2HB GLN 60 9.902 -18.669 2.312 491 2HB GLN 60 1HB GLN 60 9.338 -18.729 3.976 492 1HG GLN 60 2HG GLN 60 7.706 -18.123 1.523 493 2HG GLN 60 1HG GLN 60 7.620 -19.563 2.535 494 1HE2 GLN 60 1HE2 GLN 60 7.523 -18.650 5.028 495 2HE2 GLN 60 2HE2 GLN 60 6.145 -17.641 5.280 496 H TYR 61 H TYR 61 10.859 -15.871 1.188 497 HA TYR 61 HA TYR 61 13.469 -16.380 2.431 498 1HB TYR 61 2HB TYR 61 13.945 -15.632 -0.204 499 2HB TYR 61 1HB TYR 61 13.947 -17.270 0.436 500 HD1 TYR 61 1HD TYR 61 12.022 -18.741 0.087 501 HD2 TYR 61 2HD TYR 61 12.110 -14.811 -1.537 502 HE1 TYR 61 1HE TYR 61 10.156 -19.324 -1.405 503 HE2 TYR 61 2HE TYR 61 10.244 -15.380 -3.033 504 HH TYR 61 HH TYR 61 8.234 -17.307 -2.819 505 H GLY 62 H GLY 62 11.554 -13.963 2.698 506 1HA GLY 62 2HA GLY 62 12.060 -11.779 3.343 507 2HA GLY 62 1HA GLY 62 13.686 -11.997 2.712 508 H HIS 63 H HIS 63 14.188 -11.040 0.835 509 HA HIS 63 HA HIS 63 12.554 -9.191 -0.413 510 1HB HIS 63 2HB HIS 63 14.866 -10.754 -1.586 511 2HB HIS 63 1HB HIS 63 14.152 -9.323 -2.323 512 HD2 HIS 63 2HD HIS 63 14.344 -6.982 -0.528 513 HE1 HIS 63 1HE HIS 63 17.936 -8.497 1.120 514 HE2 HIS 63 2HE HIS 63 16.380 -6.499 1.006 515 H GLN 64 H GLN 64 10.644 -9.566 -1.332 516 HA GLN 64 HA GLN 64 10.378 -11.965 -3.017 517 1HB GLN 64 2HB GLN 64 9.006 -12.372 -1.178 518 2HB GLN 64 1HB GLN 64 8.480 -10.702 -1.074 519 1HG GLN 64 2HG GLN 64 6.776 -12.359 -1.882 520 2HG GLN 64 1HG GLN 64 7.021 -10.936 -2.891 521 1HE2 GLN 64 1HE2 GLN 64 8.889 -13.924 -2.603 522 2HE2 GLN 64 2HE2 GLN 64 8.736 -14.391 -4.260 523 H GLU 65 H GLU 65 8.511 -8.948 -2.535 524 HA GLU 65 HA GLU 65 8.730 -8.442 -5.417 525 1HB GLU 65 2HB GLU 65 6.515 -9.619 -4.375 526 2HB GLU 65 1HB GLU 65 6.075 -7.922 -4.250 527 1HG GLU 65 2HG GLU 65 6.132 -7.602 -6.544 528 2HG GLU 65 1HG GLU 65 7.148 -9.017 -6.815 529 H VAL 66 H VAL 66 8.588 -6.310 -6.058 530 HA VAL 66 HA VAL 66 8.195 -4.288 -3.967 531 HB VAL 66 HB VAL 66 10.498 -4.294 -5.923 532 1HG1 VAL 66 1HG1 VAL 66 9.836 -2.046 -5.693 533 2HG1 VAL 66 2HG1 VAL 66 11.175 -2.254 -4.565 534 3HG1 VAL 66 3HG1 VAL 66 9.515 -2.232 -3.970 535 1HG2 VAL 66 1HG2 VAL 66 11.920 -4.513 -3.988 536 2HG2 VAL 66 2HG2 VAL 66 10.741 -5.826 -3.990 537 3HG2 VAL 66 3HG2 VAL 66 10.524 -4.447 -2.913 538 H THR 67 H THR 67 7.009 -2.560 -4.601 539 HA THR 67 HA THR 67 6.612 -2.102 -7.475 540 HB THR 67 HB THR 67 4.321 -2.109 -5.507 541 HG1 THR 67 1HG THR 67 3.864 -4.039 -7.089 542 1HG2 THR 67 1HG2 THR 67 2.918 -1.701 -7.312 543 2HG2 THR 67 2HG2 THR 67 4.103 -2.267 -8.490 544 3HG2 THR 67 3HG2 THR 67 4.322 -0.706 -7.698 545 H ARG 68 H ARG 68 6.573 0.005 -8.055 546 HA ARG 68 HA ARG 68 6.615 1.990 -5.880 547 1HB ARG 68 2HB ARG 68 7.931 2.033 -8.595 548 2HB ARG 68 1HB ARG 68 7.875 3.421 -7.517 549 1HG ARG 68 2HG ARG 68 8.857 1.344 -5.948 550 2HG ARG 68 1HG ARG 68 9.657 1.157 -7.512 551 1HD ARG 68 2HD ARG 68 9.513 3.919 -6.542 552 2HD ARG 68 1HD ARG 68 10.468 2.841 -5.525 553 HE ARG 68 HE ARG 68 12.029 2.660 -7.214 554 1HH1 ARG 68 1HH1 ARG 68 9.194 4.318 -8.377 555 2HH1 ARG 68 2HH1 ARG 68 9.939 4.823 -9.856 556 1HH2 ARG 68 1HH2 ARG 68 13.015 3.316 -9.159 557 2HH2 ARG 68 2HH2 ARG 68 12.112 4.253 -10.301 558 H PHE 69 H PHE 69 4.964 3.341 -5.765 559 HA PHE 69 HA PHE 69 3.720 4.419 -8.133 560 1HB PHE 69 2HB PHE 69 1.490 3.651 -7.713 561 2HB PHE 69 1HB PHE 69 2.537 2.236 -7.735 562 HD1 PHE 69 1HD PHE 69 -0.106 3.737 -6.080 563 HD2 PHE 69 2HD PHE 69 3.515 1.639 -5.303 564 HE1 PHE 69 1HE PHE 69 -0.963 3.081 -3.868 565 HE2 PHE 69 2HE PHE 69 2.663 0.977 -3.092 566 HZ PHE 69 HZ PHE 69 0.422 1.698 -2.373 567 H ASP 70 H ASP 70 2.989 6.448 -7.790 568 HA ASP 70 HA ASP 70 3.073 7.458 -5.033 569 1HB ASP 70 2HB ASP 70 2.904 9.150 -7.523 570 2HB ASP 70 1HB ASP 70 3.481 9.613 -5.924 571 H PHE 71 H PHE 71 1.292 8.365 -4.054 572 HA PHE 71 HA PHE 71 -1.090 8.897 -5.632 573 1HB PHE 71 2HB PHE 71 -2.505 7.329 -4.597 574 2HB PHE 71 1HB PHE 71 -1.046 6.421 -4.974 575 HD1 PHE 71 1HD PHE 71 0.629 6.006 -3.135 576 HD2 PHE 71 2HD PHE 71 -3.284 7.510 -2.390 577 HE1 PHE 71 1HE PHE 71 0.831 5.347 -0.772 578 HE2 PHE 71 2HE PHE 71 -3.089 6.855 -0.026 579 HZ PHE 71 HZ PHE 71 -1.031 5.771 0.785 580 H THR 72 H THR 72 -2.795 9.904 -4.453 581 HA THR 72 HA THR 72 -2.211 10.920 -1.794 582 HB THR 72 HB THR 72 -1.555 12.920 -2.578 583 HG1 THR 72 1HG THR 72 -3.610 13.516 -1.911 584 1HG2 THR 72 1HG2 THR 72 -2.968 12.831 -5.196 585 2HG2 THR 72 2HG2 THR 72 -1.593 11.755 -4.953 586 3HG2 THR 72 3HG2 THR 72 -1.387 13.498 -4.789 587 H THR 73 H THR 73 -4.171 12.107 -0.930 588 HA THR 73 HA THR 73 -6.450 10.440 -1.272 589 HB THR 73 HB THR 73 -6.121 11.378 0.889 590 HG1 THR 73 1HG THR 73 -8.228 11.486 0.961 591 1HG2 THR 73 1HG2 THR 73 -5.349 13.691 -0.546 592 2HG2 THR 73 2HG2 THR 73 -5.252 13.399 1.189 593 3HG2 THR 73 3HG2 THR 73 -6.695 14.142 0.501 594 H THR 74 H THR 74 -5.689 13.756 -2.284 595 HA THR 74 HA THR 74 -7.910 13.574 -4.200 596 HB THR 74 HB THR 74 -8.993 15.387 -3.458 597 HG1 THR 74 1HG THR 74 -6.415 16.548 -3.223 598 1HG2 THR 74 1HG2 THR 74 -8.217 14.173 -1.294 599 2HG2 THR 74 2HG2 THR 74 -8.942 15.775 -1.168 600 3HG2 THR 74 3HG2 THR 74 -7.189 15.591 -1.070 601 H SER 75 H SER 75 -7.656 15.902 -5.530 602 HA SER 75 HA SER 75 -6.476 17.015 -7.122 603 1HB SER 75 2HB SER 75 -4.717 16.879 -4.917 604 2HB SER 75 1HB SER 75 -3.757 16.480 -6.341 605 HG SER 75 HG SER 75 -5.092 18.470 -7.163 606 H THR 76 H THR 76 -4.712 16.696 -8.825 607 HA THR 76 HA THR 76 -4.762 13.872 -9.644 608 HB THR 76 HB THR 76 -5.734 14.922 -11.428 609 HG1 THR 76 1HG THR 76 -3.991 15.425 -12.998 610 1HG2 THR 76 1HG2 THR 76 -5.152 17.202 -12.207 611 2HG2 THR 76 2HG2 THR 76 -3.982 17.324 -10.892 612 3HG2 THR 76 3HG2 THR 76 -5.702 17.170 -10.531 613 H SER 77 H SER 77 -2.921 12.760 -9.999 614 HA SER 77 HA SER 77 -0.388 14.146 -10.295 615 1HB SER 77 2HB SER 77 -0.883 12.252 -7.985 616 2HB SER 77 1HB SER 77 0.681 12.934 -8.429 617 HG SER 77 HG SER 77 -0.497 15.040 -8.164 618 H THR 78 H THR 78 -2.294 11.230 -10.333 619 HA THR 78 HA THR 78 -0.420 10.082 -12.268 620 HB THR 78 HB THR 78 0.325 8.839 -10.462 621 HG1 THR 78 1HG THR 78 -0.938 6.768 -10.623 622 1HG2 THR 78 1HG2 THR 78 -1.590 7.766 -8.930 623 2HG2 THR 78 2HG2 THR 78 -2.419 9.241 -9.423 624 3HG2 THR 78 3HG2 THR 78 -0.868 9.339 -8.590 625 HA PRO 79 HA PRO 79 -4.593 9.555 -13.971 626 1HB PRO 79 2HB PRO 79 -3.885 9.627 -16.558 627 2HB PRO 79 1HB PRO 79 -3.965 11.097 -15.578 628 1HG PRO 79 2HG PRO 79 -1.579 9.484 -16.384 629 2HG PRO 79 1HG PRO 79 -1.772 11.245 -16.321 630 1HD PRO 79 2HD PRO 79 -0.531 9.753 -14.372 631 2HD PRO 79 1HD PRO 79 -1.282 11.335 -14.090 632 H GLY 80 H GLY 80 -5.150 8.083 -16.109 633 1HA GLY 80 2HA GLY 80 -4.343 5.404 -15.283 634 2HA GLY 80 1HA GLY 80 -5.655 5.804 -16.381 635 H SER 81 H SER 81 -2.106 6.063 -16.197 636 HA SER 81 HA SER 81 -2.008 5.346 -19.053 637 1HB SER 81 2HB SER 81 -0.397 7.238 -17.398 638 2HB SER 81 1HB SER 81 0.411 6.401 -18.724 639 HG SER 81 HG SER 81 -0.401 8.129 -19.713 640 H ARG 82 H ARG 82 -1.346 4.268 -15.943 641 HA ARG 82 HA ARG 82 0.619 2.317 -16.953 642 1HB ARG 82 2HB ARG 82 0.285 3.475 -14.185 643 2HB ARG 82 1HB ARG 82 1.304 2.086 -14.535 644 1HG ARG 82 2HG ARG 82 2.263 3.815 -16.348 645 2HG ARG 82 1HG ARG 82 1.736 4.946 -15.099 646 1HD ARG 82 2HD ARG 82 3.593 4.502 -13.965 647 2HD ARG 82 1HD ARG 82 3.044 2.837 -13.773 648 HE ARG 82 HE ARG 82 4.153 2.681 -16.162 649 1HH1 ARG 82 1HH1 ARG 82 5.303 4.326 -13.313 650 2HH1 ARG 82 2HH1 ARG 82 6.975 4.101 -13.701 651 1HH2 ARG 82 1HH2 ARG 82 6.352 2.377 -16.679 652 2HH2 ARG 82 2HH2 ARG 82 7.573 2.992 -15.615 653 H SER 83 H SER 83 0.538 0.523 -14.855 654 HA SER 83 HA SER 83 -2.203 -0.537 -15.071 655 1HB SER 83 2HB SER 83 0.336 -2.137 -14.700 656 2HB SER 83 1HB SER 83 -1.279 -2.767 -15.026 657 HG SER 83 HG SER 83 -0.277 -0.925 -16.845 658 H HIS 84 H HIS 84 -3.183 -1.416 -13.273 659 HA HIS 84 HA HIS 84 -1.812 -1.718 -10.775 660 1HB HIS 84 2HB HIS 84 -2.597 0.852 -11.292 661 2HB HIS 84 1HB HIS 84 -3.994 0.223 -10.425 662 HD2 HIS 84 2HD HIS 84 -0.193 0.919 -9.822 663 HE1 HIS 84 1HE HIS 84 -2.131 0.308 -6.109 664 HE2 HIS 84 2HE HIS 84 0.081 0.804 -7.245 665 H HIS 85 H HIS 85 -4.938 -1.326 -12.394 666 HA HIS 85 HA HIS 85 -5.855 -3.841 -11.336 667 1HB HIS 85 2HB HIS 85 -6.326 -1.910 -9.608 668 2HB HIS 85 1HB HIS 85 -7.653 -1.534 -10.702 669 HD2 HIS 85 2HD HIS 85 -9.179 -2.331 -8.351 670 HE1 HIS 85 1HE HIS 85 -8.652 -6.430 -9.262 671 HE2 HIS 85 2HE HIS 85 -9.817 -4.770 -7.741 672 H HIS 86 H HIS 86 -7.957 -4.469 -12.240 673 HA HIS 86 HA HIS 86 -8.175 -3.585 -14.976 674 1HB HIS 86 2HB HIS 86 -8.565 -5.992 -13.758 675 2HB HIS 86 1HB HIS 86 -10.224 -5.431 -13.938 676 HD2 HIS 86 2HD HIS 86 -10.981 -4.890 -16.656 677 HE1 HIS 86 1HE HIS 86 -7.902 -7.354 -18.192 678 HE2 HIS 86 2HE HIS 86 -9.955 -5.984 -18.772 679 H HIS 87 H HIS 87 -8.848 -1.389 -14.513 680 HA HIS 87 HA HIS 87 -11.754 -1.226 -14.137 681 1HB HIS 87 2HB HIS 87 -9.681 -0.003 -12.474 682 2HB HIS 87 1HB HIS 87 -10.849 1.162 -13.087 683 HD2 HIS 87 2HD HIS 87 -12.095 1.520 -10.664 684 HE1 HIS 87 1HE HIS 87 -13.414 -2.485 -10.290 685 HE2 HIS 87 2HE HIS 87 -13.701 -0.112 -9.443 686 H HIS 88 H HIS 88 -12.227 1.374 -14.541 687 HA HIS 88 HA HIS 88 -11.313 1.765 -17.296 688 1HB HIS 88 2HB HIS 88 -13.220 3.489 -17.295 689 2HB HIS 88 1HB HIS 88 -13.663 1.788 -17.222 690 HD2 HIS 88 2HD HIS 88 -12.849 4.318 -14.289 691 HE1 HIS 88 1HE HIS 88 -16.550 2.387 -13.599 692 HE2 HIS 88 2HE HIS 88 -14.784 3.913 -12.610 693 H HIS 89 H HIS 89 -11.655 4.397 -17.717 694 HA HIS 89 HA HIS 89 -10.560 6.386 -17.612 695 1HB HIS 89 2HB HIS 89 -11.181 5.726 -14.782 696 2HB HIS 89 1HB HIS 89 -10.029 7.028 -15.060 697 HD2 HIS 89 2HD HIS 89 -13.805 6.228 -15.604 698 HE1 HIS 89 1HE HIS 89 -13.122 10.341 -16.337 699 HE2 HIS 89 2HE HIS 89 -14.885 8.564 -15.934 Start of MODEL 31 1 1H MET 1 1HT MET 1 -11.040 -5.022 14.447 2 2H MET 1 2HT MET 1 -9.781 -5.964 15.073 3 3H MET 1 3HT MET 1 -9.436 -4.505 14.290 4 HA MET 1 HA MET 1 -9.914 -3.245 16.059 5 1HB MET 1 2HB MET 1 -11.756 -3.788 17.615 6 2HB MET 1 1HB MET 1 -12.281 -3.790 15.936 7 1HG MET 1 2HG MET 1 -12.894 -5.925 16.022 8 2HG MET 1 1HG MET 1 -11.404 -6.408 16.829 9 1HE MET 1 1HE MET 1 -12.767 -7.942 19.581 10 2HE MET 1 2HE MET 1 -12.384 -8.112 17.867 11 3HE MET 1 3HE MET 1 -14.065 -8.102 18.397 12 H ARG 2 H ARG 2 -8.704 -6.294 15.970 13 HA ARG 2 HA ARG 2 -7.742 -6.134 18.750 14 1HB ARG 2 2HB ARG 2 -8.294 -8.591 17.082 15 2HB ARG 2 1HB ARG 2 -7.482 -8.619 18.641 16 1HG ARG 2 2HG ARG 2 -9.698 -7.283 19.329 17 2HG ARG 2 1HG ARG 2 -10.334 -8.245 17.992 18 1HD ARG 2 2HD ARG 2 -10.177 -10.173 19.140 19 2HD ARG 2 1HD ARG 2 -8.637 -9.726 19.875 20 HE ARG 2 HE ARG 2 -11.245 -9.410 21.010 21 1HH1 ARG 2 1HH1 ARG 2 -8.008 -8.122 20.957 22 2HH1 ARG 2 2HH1 ARG 2 -8.123 -7.420 22.536 23 1HH2 ARG 2 1HH2 ARG 2 -11.407 -8.486 23.090 24 2HH2 ARG 2 2HH2 ARG 2 -10.054 -7.626 23.748 25 H GLY 3 H GLY 3 -6.817 -7.886 15.777 26 1HA GLY 3 2HA GLY 3 -4.764 -7.001 14.634 27 2HA GLY 3 1HA GLY 3 -4.052 -6.949 16.239 28 H SER 4 H SER 4 -5.701 -9.264 14.089 29 HA SER 4 HA SER 4 -4.513 -11.547 15.276 30 1HB SER 4 2HB SER 4 -5.228 -12.038 12.532 31 2HB SER 4 1HB SER 4 -6.024 -12.601 14.001 32 HG SER 4 HG SER 4 -7.196 -11.136 12.420 33 H ASN 5 H ASN 5 -2.335 -11.608 15.344 34 HA ASN 5 HA ASN 5 -0.827 -11.034 12.901 35 1HB ASN 5 2HB ASN 5 -0.351 -10.516 15.639 36 2HB ASN 5 1HB ASN 5 0.853 -11.699 15.135 37 1HD2 ASN 5 1HD2 ASN 5 2.520 -10.210 15.320 38 2HD2 ASN 5 2HD2 ASN 5 2.747 -8.935 14.177 39 H ALA 6 H ALA 6 -0.346 -13.366 15.549 40 HA ALA 6 HA ALA 6 0.302 -15.549 15.553 41 1HB ALA 6 1HB ALA 6 -1.977 -15.768 14.580 42 2HB ALA 6 2HB ALA 6 -0.866 -17.044 14.079 43 3HB ALA 6 3HB ALA 6 -1.250 -15.724 12.973 44 HA PRO 7 HA PRO 7 3.988 -14.689 12.931 45 1HB PRO 7 2HB PRO 7 5.021 -16.698 14.871 46 2HB PRO 7 1HB PRO 7 5.739 -15.174 14.338 47 1HG PRO 7 2HG PRO 7 4.620 -15.373 16.744 48 2HG PRO 7 1HG PRO 7 4.435 -13.902 15.771 49 1HD PRO 7 2HD PRO 7 2.479 -16.101 16.277 50 2HD PRO 7 1HD PRO 7 2.198 -14.355 16.116 51 H GLN 8 H GLN 8 4.962 -15.918 11.351 52 HA GLN 8 HA GLN 8 5.143 -17.555 9.789 53 1HB GLN 8 2HB GLN 8 4.719 -19.375 12.164 54 2HB GLN 8 1HB GLN 8 5.368 -19.859 10.603 55 1HG GLN 8 2HG GLN 8 7.291 -18.410 10.934 56 2HG GLN 8 1HG GLN 8 6.636 -17.881 12.484 57 1HE2 GLN 8 1HE2 GLN 8 6.474 -19.427 14.186 58 2HE2 GLN 8 2HE2 GLN 8 7.523 -20.799 14.225 59 HA PRO 9 HA PRO 9 0.544 -18.243 9.618 60 1HB PRO 9 2HB PRO 9 -0.086 -16.482 7.704 61 2HB PRO 9 1HB PRO 9 0.120 -15.976 9.384 62 1HG PRO 9 2HG PRO 9 2.005 -15.716 7.080 63 2HG PRO 9 1HG PRO 9 1.650 -14.558 8.373 64 1HD PRO 9 2HD PRO 9 3.847 -16.235 8.319 65 2HD PRO 9 1HD PRO 9 3.170 -15.500 9.786 66 H SER 10 H SER 10 -0.700 -18.274 7.225 67 HA SER 10 HA SER 10 0.703 -20.394 5.819 68 1HB SER 10 2HB SER 10 -2.010 -19.347 5.049 69 2HB SER 10 1HB SER 10 -1.364 -20.980 4.883 70 HG SER 10 HG SER 10 -2.929 -20.297 6.723 71 H HIS 11 H HIS 11 -0.694 -17.215 5.116 72 HA HIS 11 HA HIS 11 0.184 -17.195 2.390 73 1HB HIS 11 2HB HIS 11 -0.371 -14.608 3.726 74 2HB HIS 11 1HB HIS 11 -0.978 -15.241 2.198 75 HD2 HIS 11 2HD HIS 11 -2.992 -17.397 2.715 76 HE1 HIS 11 1HE HIS 11 -4.286 -15.323 6.169 77 HE2 HIS 11 2HE HIS 11 -4.779 -17.241 4.588 78 H ILE 12 H ILE 12 1.134 -14.435 2.410 79 HA ILE 12 HA ILE 12 3.913 -14.919 2.641 80 HB ILE 12 HB ILE 12 2.890 -13.244 1.095 81 1HG1 ILE 12 2HG1 ILE 12 4.626 -11.407 2.459 82 2HG1 ILE 12 1HG1 ILE 12 5.280 -13.038 2.607 83 1HG2 ILE 12 1HG2 ILE 12 1.469 -11.736 1.887 84 2HG2 ILE 12 2HG2 ILE 12 2.785 -10.999 2.803 85 3HG2 ILE 12 3HG2 ILE 12 1.797 -12.262 3.539 86 1HD1 ILE 12 1HD1 ILE 12 6.134 -12.801 0.585 87 2HD1 ILE 12 2HD1 ILE 12 5.286 -11.274 0.353 88 3HD1 ILE 12 3HD1 ILE 12 4.493 -12.794 -0.057 89 H SER 13 H SER 13 5.418 -13.851 4.064 90 HA SER 13 HA SER 13 4.777 -14.026 6.772 91 1HB SER 13 2HB SER 13 7.039 -12.853 5.215 92 2HB SER 13 1HB SER 13 6.895 -12.412 6.917 93 HG SER 13 HG SER 13 7.705 -14.281 7.371 94 H LYS 14 H LYS 14 5.180 -11.139 4.734 95 HA LYS 14 HA LYS 14 3.013 -9.744 5.837 96 1HB LYS 14 2HB LYS 14 4.406 -7.961 7.010 97 2HB LYS 14 1HB LYS 14 4.187 -9.482 7.859 98 1HG LYS 14 2HG LYS 14 6.387 -9.533 8.118 99 2HG LYS 14 1HG LYS 14 6.508 -9.842 6.384 100 1HD LYS 14 2HD LYS 14 7.024 -7.651 5.894 101 2HD LYS 14 1HD LYS 14 6.225 -7.031 7.340 102 1HE LYS 14 2HE LYS 14 8.860 -7.118 7.137 103 2HE LYS 14 1HE LYS 14 8.038 -7.402 8.671 104 1HZ LYS 14 1HZ LYS 14 8.330 -9.706 8.469 105 2HZ LYS 14 2HZ LYS 14 9.821 -9.045 8.019 106 3HZ LYS 14 3HZ LYS 14 8.756 -9.611 6.834 107 H TYR 15 H TYR 15 2.599 -7.805 4.759 108 HA TYR 15 HA TYR 15 4.401 -7.216 2.500 109 1HB TYR 15 2HB TYR 15 1.463 -6.865 2.958 110 2HB TYR 15 1HB TYR 15 2.275 -5.722 1.904 111 HD1 TYR 15 1HD TYR 15 3.341 -9.240 2.033 112 HD2 TYR 15 2HD TYR 15 0.944 -6.371 0.002 113 HE1 TYR 15 1HE TYR 15 3.077 -10.797 0.148 114 HE2 TYR 15 2HE TYR 15 0.674 -7.921 -1.885 115 HH TYR 15 HH TYR 15 1.853 -11.224 -1.733 116 H ILE 16 H ILE 16 5.265 -5.139 2.255 117 HA ILE 16 HA ILE 16 4.769 -3.330 4.528 118 HB ILE 16 HB ILE 16 7.291 -3.799 2.950 119 1HG1 ILE 16 2HG1 ILE 16 6.851 -5.238 4.915 120 2HG1 ILE 16 1HG1 ILE 16 8.257 -4.207 5.154 121 1HG2 ILE 16 1HG2 ILE 16 8.081 -1.892 4.634 122 2HG2 ILE 16 2HG2 ILE 16 6.407 -1.372 4.418 123 3HG2 ILE 16 3HG2 ILE 16 7.470 -1.529 3.020 124 1HD1 ILE 16 1HD1 ILE 16 6.252 -2.689 6.212 125 2HD1 ILE 16 2HD1 ILE 16 7.329 -3.745 7.127 126 3HD1 ILE 16 3HD1 ILE 16 5.742 -4.326 6.622 127 H LEU 17 H LEU 17 4.122 -1.329 4.158 128 HA LEU 17 HA LEU 17 4.151 -0.348 1.383 129 1HB LEU 17 2HB LEU 17 1.894 -0.979 2.686 130 2HB LEU 17 1HB LEU 17 2.107 0.653 3.287 131 HG LEU 17 HG LEU 17 2.466 0.746 0.475 132 1HD1 LEU 17 1HD1 LEU 17 1.247 -1.432 0.497 133 2HD1 LEU 17 2HD1 LEU 17 0.418 -0.143 -0.378 134 3HD1 LEU 17 3HD1 LEU 17 -0.119 -0.598 1.239 135 1HD2 LEU 17 1HD2 LEU 17 1.673 2.589 1.814 136 2HD2 LEU 17 2HD2 LEU 17 0.236 1.678 2.280 137 3HD2 LEU 17 3HD2 LEU 17 0.457 2.182 0.604 138 H ARG 18 H ARG 18 5.566 1.260 1.238 139 HA ARG 18 HA ARG 18 5.947 2.988 3.580 140 1HB ARG 18 2HB ARG 18 7.820 2.460 1.268 141 2HB ARG 18 1HB ARG 18 8.153 3.533 2.620 142 1HG ARG 18 2HG ARG 18 8.808 1.852 3.918 143 2HG ARG 18 1HG ARG 18 7.403 0.871 3.494 144 1HD ARG 18 2HD ARG 18 9.006 -0.437 2.559 145 2HD ARG 18 1HD ARG 18 8.757 0.664 1.205 146 HE ARG 18 HE ARG 18 10.880 1.169 3.176 147 1HH1 ARG 18 1HH1 ARG 18 9.848 0.578 -0.101 148 2HH1 ARG 18 2HH1 ARG 18 11.392 0.952 -0.790 149 1HH2 ARG 18 1HH2 ARG 18 12.915 1.665 2.274 150 2HH2 ARG 18 2HH2 ARG 18 13.135 1.571 0.559 151 H TRP 19 H TRP 19 5.407 5.075 3.461 152 HA TRP 19 HA TRP 19 5.252 6.325 0.834 153 1HB TRP 19 2HB TRP 19 3.029 6.960 0.913 154 2HB TRP 19 1HB TRP 19 2.972 5.339 1.590 155 HD1 TRP 19 HD TRP 19 2.572 9.016 2.577 156 HE1 TRP 19 1HE TRP 19 1.390 9.124 4.862 157 HE3 TRP 19 3HE TRP 19 2.588 4.037 3.738 158 HZ2 TRP 19 2HZ TRP 19 0.570 7.335 6.886 159 HZ3 TRP 19 3HZ TRP 19 1.583 3.317 5.865 160 HH2 TRP 19 HH TRP 19 0.596 4.934 7.407 161 H ARG 20 H ARG 20 5.667 8.444 0.767 162 HA ARG 20 HA ARG 20 5.796 10.031 3.183 163 1HB ARG 20 2HB ARG 20 7.989 9.746 3.533 164 2HB ARG 20 1HB ARG 20 8.129 8.746 2.098 165 1HG ARG 20 2HG ARG 20 8.031 11.683 1.706 166 2HG ARG 20 1HG ARG 20 9.495 10.996 2.412 167 1HD ARG 20 2HD ARG 20 9.059 9.283 0.357 168 2HD ARG 20 1HD ARG 20 8.429 10.784 -0.321 169 HE ARG 20 HE ARG 20 11.194 10.302 0.543 170 1HH1 ARG 20 1HH1 ARG 20 8.823 12.287 -1.064 171 2HH1 ARG 20 2HH1 ARG 20 9.999 13.321 -1.801 172 1HH2 ARG 20 1HH2 ARG 20 12.752 11.659 -0.427 173 2HH2 ARG 20 2HH2 ARG 20 12.233 12.965 -1.439 174 HA PRO 21 HA PRO 21 4.434 13.172 0.411 175 1HB PRO 21 2HB PRO 21 6.184 15.004 1.975 176 2HB PRO 21 1HB PRO 21 4.461 15.137 1.605 177 1HG PRO 21 2HG PRO 21 5.246 14.428 4.037 178 2HG PRO 21 1HG PRO 21 3.855 13.633 3.272 179 1HD PRO 21 2HD PRO 21 6.658 12.637 3.597 180 2HD PRO 21 1HD PRO 21 5.125 11.759 3.767 181 H LYS 22 H LYS 22 5.182 13.240 -1.576 182 HA LYS 22 HA LYS 22 7.850 13.043 -2.380 183 1HB LYS 22 2HB LYS 22 5.317 13.884 -3.722 184 2HB LYS 22 1HB LYS 22 6.831 14.124 -4.565 185 1HG LYS 22 2HG LYS 22 6.067 11.461 -3.421 186 2HG LYS 22 1HG LYS 22 5.563 11.973 -5.033 187 1HD LYS 22 2HD LYS 22 8.444 12.064 -4.197 188 2HD LYS 22 1HD LYS 22 7.715 10.578 -4.811 189 1HE LYS 22 2HE LYS 22 7.546 11.373 -6.926 190 2HE LYS 22 1HE LYS 22 7.251 13.028 -6.396 191 1HZ LYS 22 1HZ LYS 22 9.337 13.310 -7.158 192 2HZ LYS 22 2HZ LYS 22 9.764 11.684 -6.969 193 3HZ LYS 22 3HZ LYS 22 9.774 12.721 -5.633 194 H ASN 23 H ASN 23 6.129 15.737 -1.180 195 HA ASN 23 HA ASN 23 7.844 17.712 -2.432 196 1HB ASN 23 2HB ASN 23 6.512 19.352 -1.178 197 2HB ASN 23 1HB ASN 23 5.481 18.242 -2.074 198 1HD2 ASN 23 1HD2 ASN 23 3.905 17.269 -1.014 199 2HD2 ASN 23 2HD2 ASN 23 3.746 17.184 0.704 200 H SER 24 H SER 24 7.823 15.814 0.404 201 HA SER 24 HA SER 24 9.455 17.607 1.977 202 1HB SER 24 2HB SER 24 7.796 15.433 2.550 203 2HB SER 24 1HB SER 24 9.423 14.855 2.905 204 HG SER 24 HG SER 24 8.215 17.216 3.919 205 H VAL 25 H VAL 25 11.272 15.894 3.147 206 HA VAL 25 HA VAL 25 13.166 15.473 0.940 207 HB VAL 25 HB VAL 25 14.909 15.477 2.736 208 1HG1 VAL 25 1HG1 VAL 25 13.426 17.662 1.670 209 2HG1 VAL 25 2HG1 VAL 25 15.130 17.597 2.122 210 3HG1 VAL 25 3HG1 VAL 25 13.919 18.063 3.316 211 1HG2 VAL 25 1HG2 VAL 25 12.825 15.075 4.448 212 2HG2 VAL 25 2HG2 VAL 25 13.147 16.794 4.670 213 3HG2 VAL 25 3HG2 VAL 25 14.435 15.616 4.924 214 H GLY 26 H GLY 26 11.469 13.867 3.506 215 1HA GLY 26 2HA GLY 26 11.851 11.297 2.487 216 2HA GLY 26 1HA GLY 26 13.076 11.551 3.722 217 H ARG 27 H ARG 27 12.475 10.521 5.501 218 HA ARG 27 HA ARG 27 11.243 9.775 7.258 219 1HB ARG 27 2HB ARG 27 10.153 12.463 6.669 220 2HB ARG 27 1HB ARG 27 9.158 11.435 7.691 221 1HG ARG 27 2HG ARG 27 10.507 12.733 9.132 222 2HG ARG 27 1HG ARG 27 11.179 11.102 9.147 223 1HD ARG 27 2HD ARG 27 12.726 11.983 7.266 224 2HD ARG 27 1HD ARG 27 12.253 13.578 7.851 225 HE ARG 27 HE ARG 27 13.581 13.262 9.685 226 1HH1 ARG 27 1HH1 ARG 27 13.054 10.187 8.128 227 2HH1 ARG 27 2HH1 ARG 27 14.193 9.344 9.124 228 1HH2 ARG 27 1HH2 ARG 27 15.084 12.159 10.996 229 2HH2 ARG 27 2HH2 ARG 27 15.346 10.464 10.755 230 H TRP 28 H TRP 28 10.722 8.149 5.426 231 HA TRP 28 HA TRP 28 8.165 8.089 4.252 232 1HB TRP 28 2HB TRP 28 10.177 5.932 4.873 233 2HB TRP 28 1HB TRP 28 8.648 5.580 4.077 234 HD1 TRP 28 HD TRP 28 11.959 7.442 3.487 235 HE1 TRP 28 1HE TRP 28 12.277 7.746 0.951 236 HE3 TRP 28 3HE TRP 28 7.426 5.703 1.884 237 HZ2 TRP 28 2HZ TRP 28 10.803 7.306 -1.414 238 HZ3 TRP 28 3HZ TRP 28 6.958 5.681 -0.534 239 HH2 TRP 28 HH TRP 28 8.615 6.460 -2.146 240 H LYS 29 H LYS 29 6.837 5.900 4.751 241 HA LYS 29 HA LYS 29 6.334 5.772 7.643 242 1HB LYS 29 2HB LYS 29 4.394 6.389 5.445 243 2HB LYS 29 1HB LYS 29 3.836 5.503 6.858 244 1HG LYS 29 2HG LYS 29 5.376 7.991 7.324 245 2HG LYS 29 1HG LYS 29 3.731 8.144 6.706 246 1HD LYS 29 2HD LYS 29 2.810 7.482 8.651 247 2HD LYS 29 1HD LYS 29 4.041 6.246 8.924 248 1HE LYS 29 2HE LYS 29 3.972 8.176 10.575 249 2HE LYS 29 1HE LYS 29 5.539 7.793 9.863 250 1HZ LYS 29 1HZ LYS 29 4.631 10.245 9.969 251 2HZ LYS 29 2HZ LYS 29 3.887 9.796 8.517 252 3HZ LYS 29 3HZ LYS 29 5.570 9.707 8.668 253 H GLU 30 H GLU 30 5.411 3.748 8.351 254 HA GLU 30 HA GLU 30 5.747 1.605 6.355 255 1HB GLU 30 2HB GLU 30 6.162 1.125 9.281 256 2HB GLU 30 1HB GLU 30 6.794 0.228 7.909 257 1HG GLU 30 2HG GLU 30 8.684 1.356 8.056 258 2HG GLU 30 1HG GLU 30 7.816 2.855 7.731 259 H ALA 31 H ALA 31 4.207 0.158 6.101 260 HA ALA 31 HA ALA 31 2.096 -0.163 8.102 261 1HB ALA 31 1HB ALA 31 1.638 1.442 5.955 262 2HB ALA 31 2HB ALA 31 0.388 0.529 6.800 263 3HB ALA 31 3HB ALA 31 1.114 -0.123 5.332 264 H THR 32 H THR 32 2.013 -2.298 8.532 265 HA THR 32 HA THR 32 2.871 -4.148 6.422 266 HB THR 32 HB THR 32 2.688 -4.668 9.387 267 HG1 THR 32 1HG THR 32 4.388 -3.262 8.985 268 1HG2 THR 32 1HG2 THR 32 4.076 -6.666 8.778 269 2HG2 THR 32 2HG2 THR 32 3.751 -6.302 7.082 270 3HG2 THR 32 3HG2 THR 32 2.421 -6.716 8.166 271 H ILE 33 H ILE 33 1.524 -5.481 5.493 272 HA ILE 33 HA ILE 33 -0.870 -6.408 6.901 273 HB ILE 33 HB ILE 33 -1.324 -5.875 4.041 274 1HG1 ILE 33 2HG1 ILE 33 -2.003 -3.413 5.075 275 2HG1 ILE 33 1HG1 ILE 33 -0.441 -3.723 5.824 276 1HG2 ILE 33 1HG2 ILE 33 -3.116 -6.717 5.338 277 2HG2 ILE 33 2HG2 ILE 33 -3.498 -5.032 4.982 278 3HG2 ILE 33 3HG2 ILE 33 -2.893 -5.483 6.577 279 1HD1 ILE 33 1HD1 ILE 33 -0.994 -2.806 3.212 280 2HD1 ILE 33 2HD1 ILE 33 -0.257 -4.403 3.077 281 3HD1 ILE 33 3HD1 ILE 33 0.573 -3.120 3.959 282 HA PRO 34 HA PRO 34 1.185 -9.994 4.989 283 1HB PRO 34 2HB PRO 34 -0.083 -11.877 6.470 284 2HB PRO 34 1HB PRO 34 1.302 -10.957 7.067 285 1HG PRO 34 2HG PRO 34 -1.615 -10.525 7.570 286 2HG PRO 34 1HG PRO 34 -0.257 -10.462 8.710 287 1HD PRO 34 2HD PRO 34 -1.379 -8.232 7.660 288 2HD PRO 34 1HD PRO 34 0.345 -8.330 8.070 289 H GLY 35 H GLY 35 0.387 -10.188 2.960 290 1HA GLY 35 2HA GLY 35 -0.925 -11.020 1.266 291 2HA GLY 35 1HA GLY 35 -1.771 -11.961 2.484 292 H HIS 36 H HIS 36 -2.134 -9.623 0.198 293 HA HIS 36 HA HIS 36 -3.735 -7.644 1.184 294 1HB HIS 36 2HB HIS 36 -5.031 -8.029 -1.112 295 2HB HIS 36 1HB HIS 36 -3.405 -7.357 -1.063 296 HD2 HIS 36 2HD HIS 36 -4.623 -11.121 -1.141 297 HE1 HIS 36 1HE HIS 36 -1.671 -10.453 -4.098 298 HE2 HIS 36 2HE HIS 36 -3.061 -12.206 -2.905 299 H LEU 37 H LEU 37 -5.207 -7.979 2.721 300 HA LEU 37 HA LEU 37 -6.994 -10.242 2.669 301 1HB LEU 37 2HB LEU 37 -7.344 -7.907 4.503 302 2HB LEU 37 1HB LEU 37 -7.643 -9.608 4.805 303 HG LEU 37 HG LEU 37 -4.823 -8.851 4.315 304 1HD1 LEU 37 1HD1 LEU 37 -4.468 -8.012 6.539 305 2HD1 LEU 37 2HD1 LEU 37 -6.183 -8.180 6.916 306 3HD1 LEU 37 3HD1 LEU 37 -5.656 -6.998 5.719 307 1HD2 LEU 37 1HD2 LEU 37 -6.367 -10.936 5.620 308 2HD2 LEU 37 2HD2 LEU 37 -5.032 -10.352 6.612 309 3HD2 LEU 37 3HD2 LEU 37 -4.721 -10.970 4.990 310 H ASN 38 H ASN 38 -7.104 -6.837 1.917 311 HA ASN 38 HA ASN 38 -9.299 -7.021 0.200 312 1HB ASN 38 2HB ASN 38 -11.110 -6.097 1.424 313 2HB ASN 38 1HB ASN 38 -10.457 -7.369 2.451 314 1HD2 ASN 38 1HD2 ASN 38 -8.237 -6.083 3.477 315 2HD2 ASN 38 2HD2 ASN 38 -8.755 -4.787 4.495 316 H SER 39 H SER 39 -10.402 -4.417 0.618 317 HA SER 39 HA SER 39 -8.273 -2.847 -0.503 318 1HB SER 39 2HB SER 39 -11.192 -2.426 0.005 319 2HB SER 39 1HB SER 39 -10.170 -1.019 -0.288 320 HG SER 39 HG SER 39 -10.748 -1.597 -2.281 321 H TYR 40 H TYR 40 -6.728 -2.174 0.851 322 HA TYR 40 HA TYR 40 -7.451 -1.250 3.525 323 1HB TYR 40 2HB TYR 40 -5.527 -2.843 3.142 324 2HB TYR 40 1HB TYR 40 -4.675 -1.520 2.355 325 HD1 TYR 40 1HD TYR 40 -5.694 -2.973 5.517 326 HD2 TYR 40 2HD TYR 40 -4.006 0.475 3.681 327 HE1 TYR 40 1HE TYR 40 -4.874 -2.214 7.706 328 HE2 TYR 40 2HE TYR 40 -3.181 1.242 5.865 329 HH TYR 40 HH TYR 40 -3.376 0.936 8.116 330 H THR 41 H THR 41 -7.952 0.801 3.781 331 HA THR 41 HA THR 41 -6.858 2.807 1.951 332 HB THR 41 HB THR 41 -9.327 2.716 2.309 333 HG1 THR 41 1HG THR 41 -8.461 5.171 3.363 334 1HG2 THR 41 1HG2 THR 41 -8.473 2.930 5.097 335 2HG2 THR 41 2HG2 THR 41 -10.002 2.365 4.422 336 3HG2 THR 41 3HG2 THR 41 -9.726 4.090 4.655 337 H ILE 42 H ILE 42 -5.821 4.675 2.681 338 HA ILE 42 HA ILE 42 -4.580 4.389 5.321 339 HB ILE 42 HB ILE 42 -3.799 6.081 2.944 340 1HG1 ILE 42 2HG1 ILE 42 -1.837 4.193 3.933 341 2HG1 ILE 42 1HG1 ILE 42 -3.344 3.380 3.522 342 1HG2 ILE 42 1HG2 ILE 42 -2.441 7.287 4.223 343 2HG2 ILE 42 2HG2 ILE 42 -1.776 5.839 4.979 344 3HG2 ILE 42 3HG2 ILE 42 -3.238 6.581 5.629 345 1HD1 ILE 42 1HD1 ILE 42 -1.328 4.586 1.797 346 2HD1 ILE 42 2HD1 ILE 42 -2.986 5.017 1.376 347 3HD1 ILE 42 3HD1 ILE 42 -2.509 3.321 1.459 348 H LYS 43 H LYS 43 -5.443 5.474 6.916 349 HA LYS 43 HA LYS 43 -7.070 6.905 7.858 350 1HB LYS 43 2HB LYS 43 -4.920 8.908 7.296 351 2HB LYS 43 1HB LYS 43 -5.820 8.628 8.780 352 1HG LYS 43 2HG LYS 43 -3.821 6.674 7.675 353 2HG LYS 43 1HG LYS 43 -3.407 7.947 8.824 354 1HD LYS 43 2HD LYS 43 -3.902 6.434 10.404 355 2HD LYS 43 1HD LYS 43 -5.588 6.775 10.003 356 1HE LYS 43 2HE LYS 43 -5.863 4.813 8.898 357 2HE LYS 43 1HE LYS 43 -4.202 4.790 8.308 358 1HZ LYS 43 1HZ LYS 43 -5.120 3.188 10.232 359 2HZ LYS 43 2HZ LYS 43 -4.510 4.455 11.171 360 3HZ LYS 43 3HZ LYS 43 -3.496 3.644 10.088 361 H GLY 44 H GLY 44 -5.607 9.524 6.077 362 1HA GLY 44 2HA GLY 44 -7.496 9.830 4.028 363 2HA GLY 44 1HA GLY 44 -8.077 10.706 5.436 364 H LEU 45 H LEU 45 -6.034 10.777 2.735 365 HA LEU 45 HA LEU 45 -4.196 12.759 3.656 366 1HB LEU 45 2HB LEU 45 -4.908 12.074 0.794 367 2HB LEU 45 1HB LEU 45 -3.463 12.896 1.355 368 HG LEU 45 HG LEU 45 -2.642 10.785 0.985 369 1HD1 LEU 45 1HD1 LEU 45 -2.525 11.521 3.473 370 2HD1 LEU 45 2HD1 LEU 45 -2.042 9.887 3.018 371 3HD1 LEU 45 3HD1 LEU 45 -3.629 10.169 3.734 372 1HD2 LEU 45 1HD2 LEU 45 -4.442 9.550 0.253 373 2HD2 LEU 45 2HD2 LEU 45 -5.385 9.860 1.711 374 3HD2 LEU 45 3HD2 LEU 45 -4.032 8.730 1.759 375 H LYS 46 H LYS 46 -4.080 14.773 1.922 376 HA LYS 46 HA LYS 46 -6.712 15.966 1.600 377 1HB LYS 46 2HB LYS 46 -5.269 18.045 2.778 378 2HB LYS 46 1HB LYS 46 -6.622 17.171 3.478 379 1HG LYS 46 2HG LYS 46 -5.304 15.971 4.875 380 2HG LYS 46 1HG LYS 46 -3.940 15.945 3.754 381 1HD LYS 46 2HD LYS 46 -3.339 18.173 4.322 382 2HD LYS 46 1HD LYS 46 -4.845 18.416 5.207 383 1HE LYS 46 2HE LYS 46 -2.644 16.502 5.967 384 2HE LYS 46 1HE LYS 46 -2.956 18.065 6.722 385 1HZ LYS 46 1HZ LYS 46 -4.352 15.541 7.039 386 2HZ LYS 46 2HZ LYS 46 -5.344 16.908 6.949 387 3HZ LYS 46 3HZ LYS 46 -4.146 16.811 8.139 388 HA PRO 47 HA PRO 47 -5.126 17.931 -1.990 389 1HB PRO 47 2HB PRO 47 -6.010 20.562 -0.924 390 2HB PRO 47 1HB PRO 47 -6.417 19.770 -2.450 391 1HG PRO 47 2HG PRO 47 -8.183 19.883 -0.458 392 2HG PRO 47 1HG PRO 47 -8.045 18.439 -1.479 393 1HD PRO 47 2HD PRO 47 -7.051 18.901 1.300 394 2HD PRO 47 1HD PRO 47 -7.739 17.433 0.576 395 H GLY 48 H GLY 48 -3.367 19.057 -2.779 396 1HA GLY 48 2HA GLY 48 -1.427 20.308 -2.751 397 2HA GLY 48 1HA GLY 48 -1.887 20.913 -1.169 398 H VAL 49 H VAL 49 -2.080 17.665 -0.873 399 HA VAL 49 HA VAL 49 0.743 17.445 -0.049 400 HB VAL 49 HB VAL 49 -1.280 15.737 1.293 401 1HG1 VAL 49 1HG1 VAL 49 0.210 15.951 3.161 402 2HG1 VAL 49 2HG1 VAL 49 1.101 17.246 2.360 403 3HG1 VAL 49 3HG1 VAL 49 1.163 15.603 1.718 404 1HG2 VAL 49 1HG2 VAL 49 -1.897 18.376 1.143 405 2HG2 VAL 49 2HG2 VAL 49 -0.903 18.341 2.600 406 3HG2 VAL 49 3HG2 VAL 49 -2.337 17.321 2.487 407 H VAL 50 H VAL 50 1.793 16.092 -1.354 408 HA VAL 50 HA VAL 50 0.360 13.903 -2.644 409 HB VAL 50 HB VAL 50 2.992 15.221 -3.135 410 1HG1 VAL 50 1HG1 VAL 50 2.354 12.365 -3.870 411 2HG1 VAL 50 2HG1 VAL 50 3.718 12.942 -2.917 412 3HG1 VAL 50 3HG1 VAL 50 3.621 13.318 -4.639 413 1HG2 VAL 50 1HG2 VAL 50 0.814 14.150 -4.901 414 2HG2 VAL 50 2HG2 VAL 50 2.246 15.032 -5.452 415 3HG2 VAL 50 3HG2 VAL 50 1.043 15.841 -4.440 416 H TYR 51 H TYR 51 0.950 11.749 -2.467 417 HA TYR 51 HA TYR 51 2.912 11.093 -0.394 418 1HB TYR 51 2HB TYR 51 0.018 10.267 -0.361 419 2HB TYR 51 1HB TYR 51 1.256 9.341 0.484 420 HD1 TYR 51 1HD TYR 51 2.808 10.778 2.074 421 HD2 TYR 51 2HD TYR 51 -1.071 11.951 0.784 422 HE1 TYR 51 1HE TYR 51 2.643 12.307 3.992 423 HE2 TYR 51 2HE TYR 51 -1.252 13.483 2.699 424 HH TYR 51 HH TYR 51 -0.253 13.702 4.982 425 H GLU 52 H GLU 52 4.348 9.955 -1.496 426 HA GLU 52 HA GLU 52 3.510 8.175 -3.635 427 1HB GLU 52 2HB GLU 52 5.427 9.303 -4.282 428 2HB GLU 52 1HB GLU 52 6.101 9.304 -2.660 429 1HG GLU 52 2HG GLU 52 7.493 7.849 -3.734 430 2HG GLU 52 1HG GLU 52 6.311 6.741 -3.040 431 H GLY 53 H GLY 53 3.280 6.027 -3.403 432 1HA GLY 53 2HA GLY 53 4.217 4.850 -0.864 433 2HA GLY 53 1HA GLY 53 2.731 4.375 -1.669 434 H GLN 54 H GLN 54 5.066 2.821 -0.815 435 HA GLN 54 HA GLN 54 5.602 1.492 -3.371 436 1HB GLN 54 2HB GLN 54 7.560 2.529 -1.399 437 2HB GLN 54 1HB GLN 54 7.875 0.917 -2.025 438 1HG GLN 54 2HG GLN 54 7.281 2.361 -4.287 439 2HG GLN 54 1HG GLN 54 8.182 3.508 -3.297 440 1HE2 GLN 54 1HE2 GLN 54 10.062 3.542 -4.401 441 2HE2 GLN 54 2HE2 GLN 54 11.091 2.171 -4.615 442 H LEU 55 H LEU 55 4.716 -0.479 -3.232 443 HA LEU 55 HA LEU 55 4.462 -1.701 -0.583 444 1HB LEU 55 2HB LEU 55 2.399 -1.561 -1.810 445 2HB LEU 55 1HB LEU 55 3.126 -2.321 -3.213 446 HG LEU 55 HG LEU 55 3.302 -4.435 -2.037 447 1HD1 LEU 55 1HD1 LEU 55 2.087 -4.543 0.238 448 2HD1 LEU 55 2HD1 LEU 55 2.394 -2.807 0.306 449 3HD1 LEU 55 3HD1 LEU 55 3.742 -3.936 0.186 450 1HD2 LEU 55 1HD2 LEU 55 0.732 -4.581 -1.386 451 2HD2 LEU 55 2HD2 LEU 55 1.275 -4.471 -3.062 452 3HD2 LEU 55 3HD2 LEU 55 0.700 -3.029 -2.224 453 H ILE 56 H ILE 56 6.156 -2.862 -0.043 454 HA ILE 56 HA ILE 56 7.370 -4.624 -2.055 455 HB ILE 56 HB ILE 56 8.560 -3.409 0.442 456 1HG1 ILE 56 2HG1 ILE 56 10.241 -2.630 -1.418 457 2HG1 ILE 56 1HG1 ILE 56 8.900 -2.957 -2.513 458 1HG2 ILE 56 1HG2 ILE 56 9.835 -5.349 -1.485 459 2HG2 ILE 56 2HG2 ILE 56 9.315 -5.726 0.157 460 3HG2 ILE 56 3HG2 ILE 56 10.622 -4.574 -0.111 461 1HD1 ILE 56 1HD1 ILE 56 8.237 -1.310 -0.166 462 2HD1 ILE 56 2HD1 ILE 56 7.763 -1.132 -1.855 463 3HD1 ILE 56 3HD1 ILE 56 9.350 -0.579 -1.323 464 H SER 57 H SER 57 6.760 -6.677 -1.848 465 HA SER 57 HA SER 57 5.664 -7.679 0.625 466 1HB SER 57 2HB SER 57 6.222 -9.244 -1.900 467 2HB SER 57 1HB SER 57 5.086 -9.644 -0.612 468 HG SER 57 HG SER 57 3.862 -8.737 -2.174 469 H ILE 58 H ILE 58 6.615 -8.952 2.051 470 HA ILE 58 HA ILE 58 9.335 -9.919 1.502 471 HB ILE 58 HB ILE 58 8.283 -8.790 4.091 472 1HG1 ILE 58 2HG1 ILE 58 10.758 -7.678 3.225 473 2HG1 ILE 58 1HG1 ILE 58 9.654 -7.665 1.855 474 1HG2 ILE 58 1HG2 ILE 58 10.147 -10.847 3.774 475 2HG2 ILE 58 2HG2 ILE 58 9.858 -9.883 5.224 476 3HG2 ILE 58 3HG2 ILE 58 11.100 -9.393 4.073 477 1HD1 ILE 58 1HD1 ILE 58 9.646 -6.069 4.291 478 2HD1 ILE 58 2HD1 ILE 58 8.071 -6.738 3.867 479 3HD1 ILE 58 3HD1 ILE 58 8.944 -5.737 2.708 480 H GLN 59 H GLN 59 9.779 -12.014 1.919 481 HA GLN 59 HA GLN 59 7.694 -13.587 3.286 482 1HB GLN 59 2HB GLN 59 8.512 -14.040 0.774 483 2HB GLN 59 1HB GLN 59 9.727 -14.980 1.626 484 1HG GLN 59 2HG GLN 59 7.781 -16.077 2.845 485 2HG GLN 59 1HG GLN 59 6.752 -15.343 1.617 486 1HE2 GLN 59 1HE2 GLN 59 7.785 -15.679 -0.684 487 2HE2 GLN 59 2HE2 GLN 59 8.193 -17.320 -1.037 488 H GLN 60 H GLN 60 8.958 -15.834 3.957 489 HA GLN 60 HA GLN 60 10.426 -15.122 6.240 490 1HB GLN 60 2HB GLN 60 10.841 -17.509 6.514 491 2HB GLN 60 1HB GLN 60 9.172 -17.227 6.040 492 1HG GLN 60 2HG GLN 60 9.390 -18.416 4.174 493 2HG GLN 60 1HG GLN 60 10.926 -17.652 3.764 494 1HE2 GLN 60 1HE2 GLN 60 9.631 -19.907 6.182 495 2HE2 GLN 60 2HE2 GLN 60 10.952 -21.017 6.103 496 H TYR 61 H TYR 61 11.391 -15.448 2.981 497 HA TYR 61 HA TYR 61 14.212 -15.719 3.741 498 1HB TYR 61 2HB TYR 61 14.312 -17.115 1.999 499 2HB TYR 61 1HB TYR 61 12.645 -16.761 1.583 500 HD1 TYR 61 1HD TYR 61 16.155 -16.022 0.847 501 HD2 TYR 61 2HD TYR 61 12.116 -15.173 -0.184 502 HE1 TYR 61 1HE TYR 61 16.914 -14.981 -1.248 503 HE2 TYR 61 2HE TYR 61 12.865 -14.127 -2.278 504 HH TYR 61 HH TYR 61 14.593 -13.680 -3.598 505 H GLY 62 H GLY 62 11.974 -13.375 3.109 506 1HA GLY 62 2HA GLY 62 12.254 -11.084 2.983 507 2HA GLY 62 1HA GLY 62 13.989 -11.339 2.912 508 H HIS 63 H HIS 63 12.399 -9.467 1.382 509 HA HIS 63 HA HIS 63 12.211 -8.656 -0.736 510 1HB HIS 63 2HB HIS 63 14.706 -9.376 -0.598 511 2HB HIS 63 1HB HIS 63 14.216 -10.697 -1.655 512 HD2 HIS 63 2HD HIS 63 15.653 -9.690 -3.793 513 HE1 HIS 63 1HE HIS 63 13.315 -6.186 -4.193 514 HE2 HIS 63 2HE HIS 63 14.979 -7.718 -5.337 515 H GLN 64 H GLN 64 10.160 -9.229 -1.334 516 HA GLN 64 HA GLN 64 9.915 -11.752 -2.821 517 1HB GLN 64 2HB GLN 64 8.230 -10.627 -0.704 518 2HB GLN 64 1HB GLN 64 7.353 -11.240 -2.098 519 1HG GLN 64 2HG GLN 64 7.967 -12.766 -0.041 520 2HG GLN 64 1HG GLN 64 7.923 -13.393 -1.689 521 1HE2 GLN 64 1HE2 GLN 64 9.764 -14.126 -2.607 522 2HE2 GLN 64 2HE2 GLN 64 11.292 -14.179 -1.805 523 H GLU 65 H GLU 65 8.155 -8.677 -2.430 524 HA GLU 65 HA GLU 65 8.015 -8.469 -5.359 525 1HB GLU 65 2HB GLU 65 5.900 -9.326 -3.964 526 2HB GLU 65 1HB GLU 65 5.656 -7.596 -3.781 527 1HG GLU 65 2HG GLU 65 6.040 -7.616 -6.393 528 2HG GLU 65 1HG GLU 65 5.507 -9.287 -6.216 529 H VAL 66 H VAL 66 7.998 -6.393 -6.207 530 HA VAL 66 HA VAL 66 8.122 -4.162 -4.300 531 HB VAL 66 HB VAL 66 10.053 -4.495 -6.597 532 1HG1 VAL 66 1HG1 VAL 66 9.601 -2.184 -6.308 533 2HG1 VAL 66 2HG1 VAL 66 11.139 -2.495 -5.501 534 3HG1 VAL 66 3HG1 VAL 66 9.663 -2.323 -4.551 535 1HG2 VAL 66 1HG2 VAL 66 10.890 -4.383 -3.739 536 2HG2 VAL 66 2HG2 VAL 66 11.700 -5.122 -5.120 537 3HG2 VAL 66 3HG2 VAL 66 10.295 -5.906 -4.399 538 H THR 67 H THR 67 6.524 -2.835 -4.810 539 HA THR 67 HA THR 67 6.039 -2.227 -7.646 540 HB THR 67 HB THR 67 3.891 -2.730 -5.577 541 HG1 THR 67 1HG THR 67 4.428 -4.135 -7.995 542 1HG2 THR 67 1HG2 THR 67 2.525 -2.583 -7.851 543 2HG2 THR 67 2HG2 THR 67 3.850 -1.506 -8.286 544 3HG2 THR 67 3HG2 THR 67 2.857 -1.155 -6.872 545 H ARG 68 H ARG 68 6.039 -0.113 -8.063 546 HA ARG 68 HA ARG 68 5.880 1.743 -5.792 547 1HB ARG 68 2HB ARG 68 6.830 2.521 -8.526 548 2HB ARG 68 1HB ARG 68 7.235 3.231 -6.968 549 1HG ARG 68 2HG ARG 68 8.676 1.448 -6.418 550 2HG ARG 68 1HG ARG 68 8.066 0.457 -7.742 551 1HD ARG 68 2HD ARG 68 9.360 3.094 -8.303 552 2HD ARG 68 1HD ARG 68 10.349 1.666 -8.001 553 HE ARG 68 HE ARG 68 8.282 1.412 -10.030 554 1HH1 ARG 68 1HH1 ARG 68 11.643 1.977 -9.296 555 2HH1 ARG 68 2HH1 ARG 68 12.191 1.569 -10.889 556 1HH2 ARG 68 1HH2 ARG 68 8.997 0.876 -12.128 557 2HH2 ARG 68 2HH2 ARG 68 10.687 0.945 -12.497 558 H PHE 69 H PHE 69 4.296 3.184 -5.628 559 HA PHE 69 HA PHE 69 2.735 4.010 -7.916 560 1HB PHE 69 2HB PHE 69 0.607 3.218 -7.127 561 2HB PHE 69 1HB PHE 69 1.706 1.845 -7.220 562 HD1 PHE 69 1HD PHE 69 2.981 1.307 -4.973 563 HD2 PHE 69 2HD PHE 69 -0.662 3.491 -5.239 564 HE1 PHE 69 1HE PHE 69 2.491 0.767 -2.624 565 HE2 PHE 69 2HE PHE 69 -1.158 2.955 -2.889 566 HZ PHE 69 HZ PHE 69 0.419 1.592 -1.578 567 H ASP 70 H ASP 70 2.066 6.043 -7.699 568 HA ASP 70 HA ASP 70 2.371 7.331 -5.085 569 1HB ASP 70 2HB ASP 70 1.616 8.962 -7.440 570 2HB ASP 70 1HB ASP 70 2.824 9.274 -6.196 571 H PHE 71 H PHE 71 0.649 8.590 -4.171 572 HA PHE 71 HA PHE 71 -1.944 8.407 -5.458 573 1HB PHE 71 2HB PHE 71 -3.038 7.232 -3.669 574 2HB PHE 71 1HB PHE 71 -1.667 6.272 -4.223 575 HD1 PHE 71 1HD PHE 71 -3.106 8.151 -1.462 576 HD2 PHE 71 2HD PHE 71 0.331 6.046 -2.829 577 HE1 PHE 71 1HE PHE 71 -2.268 8.028 0.848 578 HE2 PHE 71 2HE PHE 71 1.174 5.917 -0.522 579 HZ PHE 71 HZ PHE 71 -0.125 6.909 1.320 580 H THR 72 H THR 72 -3.498 9.772 -4.693 581 HA THR 72 HA THR 72 -2.971 11.538 -2.457 582 HB THR 72 HB THR 72 -3.660 13.505 -4.044 583 HG1 THR 72 1HG THR 72 -2.406 11.711 -5.874 584 1HG2 THR 72 1HG2 THR 72 -1.554 13.459 -2.858 585 2HG2 THR 72 2HG2 THR 72 -1.267 13.959 -4.524 586 3HG2 THR 72 3HG2 THR 72 -0.886 12.312 -4.020 587 H THR 73 H THR 73 -4.887 12.462 -1.638 588 HA THR 73 HA THR 73 -7.275 11.035 -2.324 589 HB THR 73 HB THR 73 -6.905 11.601 -0.008 590 HG1 THR 73 1HG THR 73 -9.002 11.788 0.123 591 1HG2 THR 73 1HG2 THR 73 -7.270 14.137 0.544 592 2HG2 THR 73 2HG2 THR 73 -6.665 14.371 -1.095 593 3HG2 THR 73 3HG2 THR 73 -5.670 13.542 0.102 594 H THR 74 H THR 74 -6.136 14.360 -2.762 595 HA THR 74 HA THR 74 -8.322 14.755 -4.692 596 HB THR 74 HB THR 74 -9.041 16.706 -3.808 597 HG1 THR 74 1HG THR 74 -7.694 18.301 -3.245 598 1HG2 THR 74 1HG2 THR 74 -7.677 16.202 -1.222 599 2HG2 THR 74 2HG2 THR 74 -8.672 14.893 -1.864 600 3HG2 THR 74 3HG2 THR 74 -9.385 16.479 -1.571 601 H SER 75 H SER 75 -5.015 15.251 -3.787 602 HA SER 75 HA SER 75 -4.390 17.119 -5.866 603 1HB SER 75 2HB SER 75 -2.888 15.649 -3.778 604 2HB SER 75 1HB SER 75 -1.973 16.089 -5.220 605 HG SER 75 HG SER 75 -2.853 17.657 -3.190 606 H THR 76 H THR 76 -2.169 16.241 -7.106 607 HA THR 76 HA THR 76 -2.769 13.672 -8.363 608 HB THR 76 HB THR 76 -3.958 15.019 -9.873 609 HG1 THR 76 1HG THR 76 -2.136 15.304 -11.633 610 1HG2 THR 76 1HG2 THR 76 -2.186 17.027 -10.751 611 2HG2 THR 76 2HG2 THR 76 -2.163 17.072 -8.988 612 3HG2 THR 76 3HG2 THR 76 -3.691 17.231 -9.854 613 H SER 77 H SER 77 -0.967 12.551 -8.794 614 HA SER 77 HA SER 77 1.512 13.860 -9.465 615 1HB SER 77 2HB SER 77 1.334 13.882 -6.910 616 2HB SER 77 1HB SER 77 1.526 12.130 -6.996 617 HG SER 77 HG SER 77 3.442 13.834 -6.911 618 H THR 78 H THR 78 -0.382 11.832 -10.540 619 HA THR 78 HA THR 78 1.510 9.589 -10.830 620 HB THR 78 HB THR 78 -0.706 8.414 -11.677 621 HG1 THR 78 1HG THR 78 -1.612 10.731 -10.667 622 1HG2 THR 78 1HG2 THR 78 -0.698 7.243 -9.714 623 2HG2 THR 78 2HG2 THR 78 -0.600 8.696 -8.719 624 3HG2 THR 78 3HG2 THR 78 0.839 8.091 -9.541 625 HA PRO 79 HA PRO 79 1.276 11.537 -14.992 626 1HB PRO 79 2HB PRO 79 3.871 11.239 -15.619 627 2HB PRO 79 1HB PRO 79 3.312 12.552 -14.574 628 1HG PRO 79 2HG PRO 79 4.559 9.932 -13.822 629 2HG PRO 79 1HG PRO 79 4.903 11.555 -13.192 630 1HD PRO 79 2HD PRO 79 3.306 9.766 -11.902 631 2HD PRO 79 1HD PRO 79 3.095 11.523 -11.773 632 H GLY 80 H GLY 80 1.493 8.477 -13.850 633 1HA GLY 80 2HA GLY 80 0.834 7.218 -16.251 634 2HA GLY 80 1HA GLY 80 2.565 7.016 -16.022 635 H SER 81 H SER 81 1.655 4.707 -16.076 636 HA SER 81 HA SER 81 0.253 3.693 -13.847 637 1HB SER 81 2HB SER 81 2.142 2.257 -15.729 638 2HB SER 81 1HB SER 81 0.994 1.482 -14.638 639 HG SER 81 HG SER 81 -0.631 2.800 -15.820 640 H ARG 82 H ARG 82 3.688 4.068 -14.548 641 HA ARG 82 HA ARG 82 4.268 3.772 -11.707 642 1HB ARG 82 2HB ARG 82 5.376 2.010 -13.870 643 2HB ARG 82 1HB ARG 82 6.308 2.334 -12.415 644 1HG ARG 82 2HG ARG 82 3.948 1.617 -11.327 645 2HG ARG 82 1HG ARG 82 3.929 0.654 -12.807 646 1HD ARG 82 2HD ARG 82 6.392 0.093 -12.084 647 2HD ARG 82 1HD ARG 82 5.798 0.545 -10.487 648 HE ARG 82 HE ARG 82 4.203 -1.245 -10.640 649 1HH1 ARG 82 1HH1 ARG 82 6.667 -1.222 -13.106 650 2HH1 ARG 82 2HH1 ARG 82 6.465 -2.896 -13.504 651 1HH2 ARG 82 1HH2 ARG 82 3.930 -3.448 -11.160 652 2HH2 ARG 82 2HH2 ARG 82 4.909 -4.161 -12.399 653 H SER 83 H SER 83 6.550 4.391 -11.212 654 HA SER 83 HA SER 83 7.685 6.237 -13.191 655 1HB SER 83 2HB SER 83 7.937 7.215 -10.449 656 2HB SER 83 1HB SER 83 7.429 8.071 -11.906 657 HG SER 83 HG SER 83 5.436 7.822 -11.308 658 H HIS 84 H HIS 84 9.882 6.280 -13.267 659 HA HIS 84 HA HIS 84 11.394 4.965 -11.135 660 1HB HIS 84 2HB HIS 84 12.725 3.975 -13.271 661 2HB HIS 84 1HB HIS 84 11.458 3.096 -12.421 662 HD2 HIS 84 2HD HIS 84 9.104 2.721 -13.808 663 HE1 HIS 84 1HE HIS 84 10.458 4.544 -17.381 664 HE2 HIS 84 2HE HIS 84 8.678 3.065 -16.344 665 H HIS 85 H HIS 85 12.870 6.369 -10.507 666 HA HIS 85 HA HIS 85 14.134 8.107 -12.525 667 1HB HIS 85 2HB HIS 85 13.681 8.618 -9.577 668 2HB HIS 85 1HB HIS 85 14.557 9.692 -10.662 669 HD2 HIS 85 2HD HIS 85 12.879 10.755 -12.790 670 HE1 HIS 85 1HE HIS 85 9.402 10.313 -10.420 671 HE2 HIS 85 2HE HIS 85 10.340 11.238 -12.586 672 H HIS 86 H HIS 86 14.730 6.517 -9.398 673 HA HIS 86 HA HIS 86 17.319 5.609 -10.316 674 1HB HIS 86 2HB HIS 86 17.034 7.925 -8.576 675 2HB HIS 86 1HB HIS 86 17.987 6.650 -7.823 676 HD2 HIS 86 2HD HIS 86 18.311 9.402 -10.445 677 HE1 HIS 86 1HE HIS 86 21.803 7.018 -10.642 678 HE2 HIS 86 2HE HIS 86 20.772 9.253 -11.250 679 H HIS 87 H HIS 87 14.616 5.505 -8.249 680 HA HIS 87 HA HIS 87 13.808 3.971 -6.787 681 1HB HIS 87 2HB HIS 87 14.750 2.512 -8.803 682 2HB HIS 87 1HB HIS 87 15.856 1.947 -7.557 683 HD2 HIS 87 2HD HIS 87 12.158 2.651 -6.589 684 HE1 HIS 87 1HE HIS 87 12.792 -1.533 -6.672 685 HE2 HIS 87 2HE HIS 87 11.114 0.309 -6.202 686 H HIS 88 H HIS 88 17.032 2.563 -6.664 687 HA HIS 88 HA HIS 88 18.561 2.364 -4.999 688 1HB HIS 88 2HB HIS 88 18.127 5.016 -5.144 689 2HB HIS 88 1HB HIS 88 17.592 4.727 -3.492 690 HD2 HIS 88 2HD HIS 88 19.851 6.165 -2.612 691 HE1 HIS 88 1HE HIS 88 22.565 3.106 -3.706 692 HE2 HIS 88 2HE HIS 88 22.316 5.355 -2.562 693 H HIS 89 H HIS 89 18.785 2.143 -2.559 694 HA HIS 89 HA HIS 89 16.352 0.850 -1.561 695 1HB HIS 89 2HB HIS 89 18.993 0.592 -0.186 696 2HB HIS 89 1HB HIS 89 17.693 -0.585 -0.342 697 HD2 HIS 89 2HD HIS 89 21.023 0.314 -1.939 698 HE1 HIS 89 1HE HIS 89 19.114 -2.490 -4.469 699 HE2 HIS 89 2HE HIS 89 21.329 -1.438 -3.827 Start of MODEL 32 1 1H MET 1 1HT MET 1 -7.780 -40.189 2.889 2 2H MET 1 2HT MET 1 -8.957 -41.399 2.975 3 3H MET 1 3HT MET 1 -7.532 -41.542 3.874 4 HA MET 1 HA MET 1 -9.909 -39.936 4.383 5 1HB MET 1 2HB MET 1 -9.240 -42.065 5.569 6 2HB MET 1 1HB MET 1 -7.874 -41.181 6.237 7 1HG MET 1 2HG MET 1 -9.854 -39.524 6.941 8 2HG MET 1 1HG MET 1 -10.740 -41.048 6.918 9 1HE MET 1 1HE MET 1 -10.781 -42.303 9.701 10 2HE MET 1 2HE MET 1 -9.315 -43.246 9.425 11 3HE MET 1 3HE MET 1 -10.415 -42.912 8.087 12 H ARG 2 H ARG 2 -6.495 -39.883 5.421 13 HA ARG 2 HA ARG 2 -5.107 -38.188 6.026 14 1HB ARG 2 2HB ARG 2 -6.093 -37.513 3.591 15 2HB ARG 2 1HB ARG 2 -6.591 -36.115 4.535 16 1HG ARG 2 2HG ARG 2 -4.448 -35.417 4.891 17 2HG ARG 2 1HG ARG 2 -3.781 -37.047 4.781 18 1HD ARG 2 2HD ARG 2 -3.376 -35.319 2.861 19 2HD ARG 2 1HD ARG 2 -3.710 -37.009 2.484 20 HE ARG 2 HE ARG 2 -5.813 -34.944 2.436 21 1HH1 ARG 2 1HH1 ARG 2 -4.116 -37.618 0.983 22 2HH1 ARG 2 2HH1 ARG 2 -5.191 -37.732 -0.370 23 1HH2 ARG 2 1HH2 ARG 2 -7.232 -35.085 0.657 24 2HH2 ARG 2 2HH2 ARG 2 -6.961 -36.291 -0.557 25 H GLY 3 H GLY 3 -5.522 -35.467 6.445 26 1HA GLY 3 2HA GLY 3 -7.691 -34.524 7.751 27 2HA GLY 3 1HA GLY 3 -6.948 -35.564 8.957 28 H SER 4 H SER 4 -6.263 -32.843 6.788 29 HA SER 4 HA SER 4 -3.900 -32.072 8.216 30 1HB SER 4 2HB SER 4 -3.648 -30.405 6.615 31 2HB SER 4 1HB SER 4 -4.578 -31.610 5.723 32 HG SER 4 HG SER 4 -5.883 -29.987 5.405 33 H ASN 5 H ASN 5 -3.870 -29.527 8.738 34 HA ASN 5 HA ASN 5 -5.909 -29.189 10.815 35 1HB ASN 5 2HB ASN 5 -4.354 -27.515 11.768 36 2HB ASN 5 1HB ASN 5 -3.600 -29.095 11.585 37 1HD2 ASN 5 1HD2 ASN 5 -2.261 -29.417 9.665 38 2HD2 ASN 5 2HD2 ASN 5 -1.365 -28.076 9.046 39 H ALA 6 H ALA 6 -6.934 -28.722 8.366 40 HA ALA 6 HA ALA 6 -8.100 -27.213 7.127 41 1HB ALA 6 1HB ALA 6 -8.608 -26.512 9.614 42 2HB ALA 6 2HB ALA 6 -9.151 -25.523 8.258 43 3HB ALA 6 3HB ALA 6 -7.701 -25.071 9.154 44 HA PRO 7 HA PRO 7 -4.365 -25.254 5.380 45 1HB PRO 7 2HB PRO 7 -5.165 -25.455 2.796 46 2HB PRO 7 1HB PRO 7 -4.415 -26.794 3.672 47 1HG PRO 7 2HG PRO 7 -7.312 -26.281 3.117 48 2HG PRO 7 1HG PRO 7 -6.405 -27.802 3.020 49 1HD PRO 7 2HD PRO 7 -7.981 -27.170 5.133 50 2HD PRO 7 1HD PRO 7 -6.517 -28.160 5.293 51 H GLN 8 H GLN 8 -4.079 -23.134 5.043 52 HA GLN 8 HA GLN 8 -6.347 -21.535 4.071 53 1HB GLN 8 2HB GLN 8 -5.390 -19.721 5.681 54 2HB GLN 8 1HB GLN 8 -6.450 -20.973 6.316 55 1HG GLN 8 2HG GLN 8 -4.897 -21.577 7.764 56 2HG GLN 8 1HG GLN 8 -3.777 -21.922 6.447 57 1HE2 GLN 8 1HE2 GLN 8 -1.908 -20.990 6.822 58 2HE2 GLN 8 2HE2 GLN 8 -1.665 -19.398 7.448 59 HA PRO 9 HA PRO 9 -3.196 -20.076 1.288 60 1HB PRO 9 2HB PRO 9 -4.627 -18.148 0.055 61 2HB PRO 9 1HB PRO 9 -4.904 -19.868 -0.245 62 1HG PRO 9 2HG PRO 9 -6.426 -17.980 1.510 63 2HG PRO 9 1HG PRO 9 -7.039 -19.227 0.408 64 1HD PRO 9 2HD PRO 9 -6.835 -19.581 3.102 65 2HD PRO 9 1HD PRO 9 -6.716 -20.911 1.933 66 H SER 10 H SER 10 -1.982 -19.250 3.184 67 HA SER 10 HA SER 10 -2.389 -16.662 4.226 68 1HB SER 10 2HB SER 10 -0.523 -18.793 4.585 69 2HB SER 10 1HB SER 10 0.387 -17.303 4.331 70 HG SER 10 HG SER 10 -0.286 -16.575 6.193 71 H HIS 11 H HIS 11 -0.912 -17.822 1.330 72 HA HIS 11 HA HIS 11 0.046 -16.806 -0.456 73 1HB HIS 11 2HB HIS 11 -1.875 -14.889 0.596 74 2HB HIS 11 1HB HIS 11 -0.548 -14.099 -0.250 75 HD2 HIS 11 2HD HIS 11 -0.109 -15.649 -2.864 76 HE1 HIS 11 1HE HIS 11 -4.318 -15.817 -3.274 77 HE2 HIS 11 2HE HIS 11 -2.103 -15.899 -4.505 78 H ILE 12 H ILE 12 0.282 -13.865 1.475 79 HA ILE 12 HA ILE 12 3.202 -14.069 1.281 80 HB ILE 12 HB ILE 12 1.719 -11.985 0.526 81 1HG1 ILE 12 2HG1 ILE 12 3.837 -10.582 1.380 82 2HG1 ILE 12 1HG1 ILE 12 4.454 -12.206 1.677 83 1HG2 ILE 12 1HG2 ILE 12 0.972 -11.861 3.036 84 2HG2 ILE 12 2HG2 ILE 12 1.279 -10.389 2.115 85 3HG2 ILE 12 3HG2 ILE 12 2.500 -11.002 3.229 86 1HD1 ILE 12 1HD1 ILE 12 5.083 -11.274 -0.527 87 2HD1 ILE 12 2HD1 ILE 12 3.374 -11.280 -0.971 88 3HD1 ILE 12 3HD1 ILE 12 4.201 -12.798 -0.621 89 H SER 13 H SER 13 4.510 -13.390 3.083 90 HA SER 13 HA SER 13 3.476 -14.375 5.600 91 1HB SER 13 2HB SER 13 5.756 -14.985 4.957 92 2HB SER 13 1HB SER 13 6.204 -13.283 4.847 93 HG SER 13 HG SER 13 5.216 -14.446 7.230 94 H LYS 14 H LYS 14 4.288 -11.380 4.046 95 HA LYS 14 HA LYS 14 2.705 -9.805 5.742 96 1HB LYS 14 2HB LYS 14 4.549 -8.433 6.764 97 2HB LYS 14 1HB LYS 14 4.379 -10.054 7.426 98 1HG LYS 14 2HG LYS 14 6.285 -10.826 6.227 99 2HG LYS 14 1HG LYS 14 6.379 -9.327 5.301 100 1HD LYS 14 2HD LYS 14 6.436 -8.530 7.972 101 2HD LYS 14 1HD LYS 14 7.471 -9.959 7.900 102 1HE LYS 14 2HE LYS 14 8.924 -8.983 6.371 103 2HE LYS 14 1HE LYS 14 7.735 -7.785 5.860 104 1HZ LYS 14 1HZ LYS 14 7.992 -7.100 8.392 105 2HZ LYS 14 2HZ LYS 14 9.000 -6.482 7.183 106 3HZ LYS 14 3HZ LYS 14 9.532 -7.760 8.155 107 H TYR 15 H TYR 15 2.406 -7.749 4.917 108 HA TYR 15 HA TYR 15 3.848 -7.142 2.417 109 1HB TYR 15 2HB TYR 15 1.064 -6.441 3.359 110 2HB TYR 15 1HB TYR 15 1.837 -5.572 2.040 111 HD1 TYR 15 1HD TYR 15 2.972 -7.363 0.275 112 HD2 TYR 15 2HD TYR 15 -0.481 -8.017 2.686 113 HE1 TYR 15 1HE TYR 15 2.177 -9.050 -1.325 114 HE2 TYR 15 2HE TYR 15 -1.280 -9.704 1.088 115 HH TYR 15 HH TYR 15 0.238 -11.295 -0.827 116 H ILE 16 H ILE 16 4.766 -5.075 2.155 117 HA ILE 16 HA ILE 16 4.760 -3.443 4.602 118 HB ILE 16 HB ILE 16 6.970 -4.300 2.866 119 1HG1 ILE 16 2HG1 ILE 16 6.751 -4.871 5.264 120 2HG1 ILE 16 1HG1 ILE 16 8.246 -4.006 4.919 121 1HG2 ILE 16 1HG2 ILE 16 8.274 -2.208 3.248 122 2HG2 ILE 16 2HG2 ILE 16 6.776 -1.425 3.753 123 3HG2 ILE 16 3HG2 ILE 16 6.944 -2.027 2.104 124 1HD1 ILE 16 1HD1 ILE 16 7.499 -2.061 5.959 125 2HD1 ILE 16 2HD1 ILE 16 6.925 -3.357 7.009 126 3HD1 ILE 16 3HD1 ILE 16 5.809 -2.563 5.895 127 H LEU 17 H LEU 17 3.859 -1.543 4.460 128 HA LEU 17 HA LEU 17 3.489 -0.339 1.802 129 1HB LEU 17 2HB LEU 17 1.539 -0.995 3.504 130 2HB LEU 17 1HB LEU 17 1.930 0.583 4.161 131 HG LEU 17 HG LEU 17 1.707 1.224 1.551 132 1HD1 LEU 17 1HD1 LEU 17 -0.322 0.055 0.701 133 2HD1 LEU 17 2HD1 LEU 17 -0.134 -1.114 2.007 134 3HD1 LEU 17 3HD1 LEU 17 1.119 -0.959 0.777 135 1HD2 LEU 17 1HD2 LEU 17 -0.509 1.011 3.583 136 2HD2 LEU 17 2HD2 LEU 17 -0.596 1.953 2.095 137 3HD2 LEU 17 3HD2 LEU 17 0.580 2.375 3.339 138 H ARG 18 H ARG 18 4.875 1.250 1.422 139 HA ARG 18 HA ARG 18 5.642 2.986 3.668 140 1HB ARG 18 2HB ARG 18 7.631 3.096 1.640 141 2HB ARG 18 1HB ARG 18 7.788 2.517 3.293 142 1HG ARG 18 2HG ARG 18 6.726 0.339 2.315 143 2HG ARG 18 1HG ARG 18 7.320 0.985 0.785 144 1HD ARG 18 2HD ARG 18 8.858 -0.594 2.049 145 2HD ARG 18 1HD ARG 18 9.554 0.936 1.509 146 HE ARG 18 HE ARG 18 8.618 0.521 4.274 147 1HH1 ARG 18 1HH1 ARG 18 11.011 1.600 1.982 148 2HH1 ARG 18 2HH1 ARG 18 12.078 2.223 3.194 149 1HH2 ARG 18 1HH2 ARG 18 10.018 1.335 5.877 150 2HH2 ARG 18 2HH2 ARG 18 11.514 2.071 5.409 151 H TRP 19 H TRP 19 5.289 5.093 3.422 152 HA TRP 19 HA TRP 19 5.219 6.272 0.782 153 1HB TRP 19 2HB TRP 19 3.007 7.070 0.820 154 2HB TRP 19 1HB TRP 19 2.878 5.390 1.326 155 HD1 TRP 19 HD TRP 19 2.225 8.916 2.492 156 HE1 TRP 19 1HE TRP 19 1.065 8.854 4.791 157 HE3 TRP 19 3HE TRP 19 2.791 3.947 3.560 158 HZ2 TRP 19 2HZ TRP 19 0.469 6.954 6.789 159 HZ3 TRP 19 3HZ TRP 19 1.897 3.087 5.685 160 HH2 TRP 19 HH TRP 19 0.760 4.561 7.265 161 H ARG 20 H ARG 20 5.449 8.545 0.778 162 HA ARG 20 HA ARG 20 5.636 9.932 3.311 163 1HB ARG 20 2HB ARG 20 7.869 10.043 3.528 164 2HB ARG 20 1HB ARG 20 7.906 8.667 2.438 165 1HG ARG 20 2HG ARG 20 7.982 11.486 1.415 166 2HG ARG 20 1HG ARG 20 9.442 10.637 1.927 167 1HD ARG 20 2HD ARG 20 8.345 8.774 0.318 168 2HD ARG 20 1HD ARG 20 7.746 10.241 -0.454 169 HE ARG 20 HE ARG 20 10.561 9.474 -0.143 170 1HH1 ARG 20 1HH1 ARG 20 8.128 11.576 -1.489 171 2HH1 ARG 20 2HH1 ARG 20 9.211 12.315 -2.621 172 1HH2 ARG 20 1HH2 ARG 20 11.991 10.440 -1.634 173 2HH2 ARG 20 2HH2 ARG 20 11.404 11.670 -2.703 174 HA PRO 21 HA PRO 21 4.212 13.325 0.892 175 1HB PRO 21 2HB PRO 21 5.910 15.005 2.666 176 2HB PRO 21 1HB PRO 21 4.178 15.119 2.325 177 1HG PRO 21 2HG PRO 21 4.992 14.151 4.648 178 2HG PRO 21 1HG PRO 21 3.649 13.378 3.779 179 1HD PRO 21 2HD PRO 21 6.518 12.527 3.949 180 2HD PRO 21 1HD PRO 21 5.045 11.545 4.090 181 H LYS 22 H LYS 22 5.044 13.428 -1.093 182 HA LYS 22 HA LYS 22 7.785 13.619 -1.726 183 1HB LYS 22 2HB LYS 22 5.293 14.167 -3.325 184 2HB LYS 22 1HB LYS 22 6.897 14.216 -4.028 185 1HG LYS 22 2HG LYS 22 6.845 11.783 -2.726 186 2HG LYS 22 1HG LYS 22 5.212 11.946 -3.373 187 1HD LYS 22 2HD LYS 22 6.469 10.855 -5.043 188 2HD LYS 22 1HD LYS 22 6.289 12.525 -5.587 189 1HE LYS 22 2HE LYS 22 8.617 12.564 -4.096 190 2HE LYS 22 1HE LYS 22 8.691 11.017 -4.937 191 1HZ LYS 22 1HZ LYS 22 8.128 13.581 -6.316 192 2HZ LYS 22 2HZ LYS 22 8.515 12.093 -7.019 193 3HZ LYS 22 3HZ LYS 22 9.688 12.946 -6.148 194 H ASN 23 H ASN 23 5.489 15.979 -0.776 195 HA ASN 23 HA ASN 23 6.674 18.246 -2.034 196 1HB ASN 23 2HB ASN 23 4.485 17.727 -0.187 197 2HB ASN 23 1HB ASN 23 5.381 19.179 0.249 198 1HD2 ASN 23 1HD2 ASN 23 2.666 18.796 -0.842 199 2HD2 ASN 23 2HD2 ASN 23 2.603 19.771 -2.266 200 H SER 24 H SER 24 7.494 16.327 0.654 201 HA SER 24 HA SER 24 9.405 18.367 1.586 202 1HB SER 24 2HB SER 24 7.530 17.516 3.178 203 2HB SER 24 1HB SER 24 8.513 16.056 3.291 204 HG SER 24 HG SER 24 9.703 18.570 3.675 205 H VAL 25 H VAL 25 10.938 16.637 3.192 206 HA VAL 25 HA VAL 25 12.151 14.875 1.167 207 HB VAL 25 HB VAL 25 14.042 15.622 3.163 208 1HG1 VAL 25 1HG1 VAL 25 13.956 16.215 0.214 209 2HG1 VAL 25 2HG1 VAL 25 14.523 14.708 0.935 210 3HG1 VAL 25 3HG1 VAL 25 15.386 16.215 1.246 211 1HG2 VAL 25 1HG2 VAL 25 12.477 17.662 3.176 212 2HG2 VAL 25 2HG2 VAL 25 13.133 17.993 1.574 213 3HG2 VAL 25 3HG2 VAL 25 14.206 17.942 2.973 214 H GLY 26 H GLY 26 12.281 12.802 1.678 215 1HA GLY 26 2HA GLY 26 12.314 10.861 2.898 216 2HA GLY 26 1HA GLY 26 13.029 11.805 4.196 217 H ARG 27 H ARG 27 11.923 10.944 5.888 218 HA ARG 27 HA ARG 27 10.239 10.662 7.383 219 1HB ARG 27 2HB ARG 27 9.663 13.095 6.038 220 2HB ARG 27 1HB ARG 27 8.142 12.248 6.273 221 1HG ARG 27 2HG ARG 27 8.140 13.192 8.292 222 2HG ARG 27 1HG ARG 27 9.339 11.967 8.714 223 1HD ARG 27 2HD ARG 27 10.863 13.907 7.520 224 2HD ARG 27 1HD ARG 27 9.637 14.853 8.362 225 HE ARG 27 HE ARG 27 11.566 13.024 9.608 226 1HH1 ARG 27 1HH1 ARG 27 9.119 15.491 9.874 227 2HH1 ARG 27 2HH1 ARG 27 9.452 15.823 11.541 228 1HH2 ARG 27 1HH2 ARG 27 12.013 13.458 11.802 229 2HH2 ARG 27 2HH2 ARG 27 11.098 14.668 12.636 230 H TRP 28 H TRP 28 10.341 8.588 5.946 231 HA TRP 28 HA TRP 28 8.012 8.018 4.365 232 1HB TRP 28 2HB TRP 28 10.306 6.377 5.412 233 2HB TRP 28 1HB TRP 28 8.918 5.601 4.664 234 HD1 TRP 28 HD TRP 28 12.144 7.281 3.847 235 HE1 TRP 28 1HE TRP 28 12.437 7.430 1.295 236 HE3 TRP 28 3HE TRP 28 7.404 6.012 2.405 237 HZ2 TRP 28 2HZ TRP 28 10.872 7.054 -1.022 238 HZ3 TRP 28 3HZ TRP 28 6.882 5.934 -0.003 239 HH2 TRP 28 HH TRP 28 8.584 6.439 -1.676 240 H LYS 29 H LYS 29 6.806 5.881 4.953 241 HA LYS 29 HA LYS 29 6.262 5.653 7.816 242 1HB LYS 29 2HB LYS 29 4.298 6.529 5.727 243 2HB LYS 29 1HB LYS 29 3.738 5.556 7.081 244 1HG LYS 29 2HG LYS 29 5.343 7.631 8.136 245 2HG LYS 29 1HG LYS 29 4.228 8.352 6.973 246 1HD LYS 29 2HD LYS 29 2.348 7.266 8.105 247 2HD LYS 29 1HD LYS 29 3.464 6.545 9.267 248 1HE LYS 29 2HE LYS 29 3.666 8.451 10.439 249 2HE LYS 29 1HE LYS 29 3.713 9.451 8.988 250 1HZ LYS 29 1HZ LYS 29 1.753 9.923 10.305 251 2HZ LYS 29 2HZ LYS 29 1.269 8.305 10.227 252 3HZ LYS 29 3HZ LYS 29 1.304 9.244 8.821 253 H GLU 30 H GLU 30 5.955 3.540 8.389 254 HA GLU 30 HA GLU 30 5.571 1.643 6.165 255 1HB GLU 30 2HB GLU 30 6.791 0.337 8.383 256 2HB GLU 30 1HB GLU 30 7.433 0.593 6.767 257 1HG GLU 30 2HG GLU 30 9.023 1.523 8.191 258 2HG GLU 30 1HG GLU 30 8.117 2.905 7.578 259 H ALA 31 H ALA 31 4.084 0.119 6.305 260 HA ALA 31 HA ALA 31 2.781 -0.466 8.857 261 1HB ALA 31 1HB ALA 31 1.603 1.310 7.175 262 2HB ALA 31 2HB ALA 31 0.719 0.255 8.279 263 3HB ALA 31 3HB ALA 31 0.919 -0.207 6.590 264 H THR 32 H THR 32 3.087 -2.612 9.052 265 HA THR 32 HA THR 32 3.299 -4.261 6.676 266 HB THR 32 HB THR 32 3.559 -5.092 9.568 267 HG1 THR 32 1HG THR 32 5.154 -3.558 8.227 268 1HG2 THR 32 1HG2 THR 32 4.834 -7.005 8.506 269 2HG2 THR 32 2HG2 THR 32 4.171 -6.480 6.958 270 3HG2 THR 32 3HG2 THR 32 3.089 -7.016 8.246 271 H ILE 33 H ILE 33 1.861 -5.643 5.926 272 HA ILE 33 HA ILE 33 -0.426 -6.443 7.569 273 HB ILE 33 HB ILE 33 -1.688 -6.131 5.214 274 1HG1 ILE 33 2HG1 ILE 33 0.228 -3.792 5.352 275 2HG1 ILE 33 1HG1 ILE 33 0.361 -5.117 4.201 276 1HG2 ILE 33 1HG2 ILE 33 -1.527 -3.662 6.843 277 2HG2 ILE 33 2HG2 ILE 33 -1.997 -5.148 7.670 278 3HG2 ILE 33 3HG2 ILE 33 -2.936 -4.570 6.293 279 1HD1 ILE 33 1HD1 ILE 33 -2.266 -3.882 4.190 280 2HD1 ILE 33 2HD1 ILE 33 -1.162 -4.221 2.856 281 3HD1 ILE 33 3HD1 ILE 33 -0.967 -2.750 3.809 282 HA PRO 34 HA PRO 34 1.299 -10.216 5.691 283 1HB PRO 34 2HB PRO 34 -0.486 -11.876 7.000 284 2HB PRO 34 1HB PRO 34 1.084 -11.364 7.623 285 1HG PRO 34 2HG PRO 34 -1.638 -10.267 8.201 286 2HG PRO 34 1HG PRO 34 -0.279 -10.535 9.309 287 1HD PRO 34 2HD PRO 34 -0.864 -8.087 8.398 288 2HD PRO 34 1HD PRO 34 0.819 -8.604 8.627 289 H GLY 35 H GLY 35 0.139 -12.254 4.779 290 1HA GLY 35 2HA GLY 35 -1.438 -11.408 2.589 291 2HA GLY 35 1HA GLY 35 -1.110 -13.075 3.037 292 H HIS 36 H HIS 36 -3.257 -10.371 3.408 293 HA HIS 36 HA HIS 36 -5.580 -11.915 3.635 294 1HB HIS 36 2HB HIS 36 -4.128 -11.619 6.087 295 2HB HIS 36 1HB HIS 36 -5.632 -10.711 6.209 296 HD2 HIS 36 2HD HIS 36 -7.969 -12.357 5.543 297 HE1 HIS 36 1HE HIS 36 -5.984 -15.844 6.887 298 HE2 HIS 36 2HE HIS 36 -8.240 -14.779 6.429 299 H LEU 37 H LEU 37 -4.182 -8.981 5.040 300 HA LEU 37 HA LEU 37 -6.511 -7.411 4.409 301 1HB LEU 37 2HB LEU 37 -4.012 -6.007 5.110 302 2HB LEU 37 1HB LEU 37 -5.633 -5.784 5.729 303 HG LEU 37 HG LEU 37 -4.390 -6.475 7.581 304 1HD1 LEU 37 1HD1 LEU 37 -6.452 -7.721 7.461 305 2HD1 LEU 37 2HD1 LEU 37 -5.179 -8.732 8.148 306 3HD1 LEU 37 3HD1 LEU 37 -5.678 -8.960 6.473 307 1HD2 LEU 37 1HD2 LEU 37 -2.650 -7.564 5.745 308 2HD2 LEU 37 2HD2 LEU 37 -3.247 -8.964 6.634 309 3HD2 LEU 37 3HD2 LEU 37 -2.494 -7.625 7.500 310 H ASN 38 H ASN 38 -4.030 -8.598 2.642 311 HA ASN 38 HA ASN 38 -2.906 -8.024 0.742 312 1HB ASN 38 2HB ASN 38 -4.449 -7.219 -1.068 313 2HB ASN 38 1HB ASN 38 -5.037 -8.622 -0.188 314 1HD2 ASN 38 1HD2 ASN 38 -5.638 -5.388 -1.089 315 2HD2 ASN 38 2HD2 ASN 38 -7.147 -5.196 -0.269 316 H SER 39 H SER 39 -4.381 -5.417 -0.596 317 HA SER 39 HA SER 39 -2.234 -3.661 0.256 318 1HB SER 39 2HB SER 39 -4.382 -2.957 -1.734 319 2HB SER 39 1HB SER 39 -2.733 -2.340 -1.631 320 HG SER 39 HG SER 39 -1.972 -4.277 -2.395 321 H TYR 40 H TYR 40 -2.485 -2.340 1.927 322 HA TYR 40 HA TYR 40 -5.125 -1.702 2.925 323 1HB TYR 40 2HB TYR 40 -3.591 -2.144 4.650 324 2HB TYR 40 1HB TYR 40 -2.325 -1.180 3.899 325 HD1 TYR 40 1HD TYR 40 -5.645 -0.899 5.553 326 HD2 TYR 40 2HD TYR 40 -1.990 1.039 4.563 327 HE1 TYR 40 1HE TYR 40 -6.283 1.011 6.964 328 HE2 TYR 40 2HE TYR 40 -2.617 2.955 5.972 329 HH TYR 40 HH TYR 40 -4.424 3.967 7.008 330 H THR 41 H THR 41 -6.234 0.082 2.479 331 HA THR 41 HA THR 41 -4.926 2.176 0.906 332 HB THR 41 HB THR 41 -6.959 1.267 -0.067 333 HG1 THR 41 1HG THR 41 -8.207 3.365 0.006 334 1HG2 THR 41 1HG2 THR 41 -8.598 0.571 1.279 335 2HG2 THR 41 2HG2 THR 41 -9.015 2.264 1.551 336 3HG2 THR 41 3HG2 THR 41 -7.908 1.441 2.651 337 H ILE 42 H ILE 42 -5.051 4.353 1.431 338 HA ILE 42 HA ILE 42 -5.621 4.903 4.259 339 HB ILE 42 HB ILE 42 -3.952 6.603 2.408 340 1HG1 ILE 42 2HG1 ILE 42 -2.532 5.058 4.447 341 2HG1 ILE 42 1HG1 ILE 42 -3.299 4.044 3.230 342 1HG2 ILE 42 1HG2 ILE 42 -3.321 7.803 4.282 343 2HG2 ILE 42 2HG2 ILE 42 -3.745 6.496 5.387 344 3HG2 ILE 42 3HG2 ILE 42 -5.016 7.452 4.622 345 1HD1 ILE 42 1HD1 ILE 42 -1.205 6.152 2.853 346 2HD1 ILE 42 2HD1 ILE 42 -2.161 5.524 1.512 347 3HD1 ILE 42 3HD1 ILE 42 -1.134 4.438 2.446 348 H LYS 43 H LYS 43 -7.179 6.282 4.783 349 HA LYS 43 HA LYS 43 -9.084 7.083 2.907 350 1HB LYS 43 2HB LYS 43 -9.857 8.564 4.921 351 2HB LYS 43 1HB LYS 43 -9.976 6.811 4.990 352 1HG LYS 43 2HG LYS 43 -7.492 7.201 5.998 353 2HG LYS 43 1HG LYS 43 -8.324 8.652 6.560 354 1HD LYS 43 2HD LYS 43 -8.662 7.067 8.261 355 2HD LYS 43 1HD LYS 43 -10.171 7.076 7.348 356 1HE LYS 43 2HE LYS 43 -9.962 4.878 7.096 357 2HE LYS 43 1HE LYS 43 -8.543 5.178 6.092 358 1HZ LYS 43 1HZ LYS 43 -7.254 4.307 7.649 359 2HZ LYS 43 2HZ LYS 43 -8.630 3.888 8.539 360 3HZ LYS 43 3HZ LYS 43 -7.855 5.363 8.827 361 H GLY 44 H GLY 44 -8.601 9.764 4.911 362 1HA GLY 44 2HA GLY 44 -8.199 11.446 2.612 363 2HA GLY 44 1HA GLY 44 -8.456 11.977 4.263 364 H LEU 45 H LEU 45 -6.524 12.669 2.049 365 HA LEU 45 HA LEU 45 -4.084 12.545 3.679 366 1HB LEU 45 2HB LEU 45 -4.384 12.209 0.698 367 2HB LEU 45 1HB LEU 45 -2.858 12.657 1.436 368 HG LEU 45 HG LEU 45 -2.710 10.346 1.110 369 1HD1 LEU 45 1HD1 LEU 45 -2.254 9.555 3.214 370 2HD1 LEU 45 2HD1 LEU 45 -3.698 10.281 3.920 371 3HD1 LEU 45 3HD1 LEU 45 -2.310 11.292 3.513 372 1HD2 LEU 45 1HD2 LEU 45 -4.526 8.809 2.041 373 2HD2 LEU 45 2HD2 LEU 45 -4.873 9.681 0.547 374 3HD2 LEU 45 3HD2 LEU 45 -5.544 10.250 2.077 375 H LYS 46 H LYS 46 -6.433 14.488 2.666 376 HA LYS 46 HA LYS 46 -6.728 16.714 2.478 377 1HB LYS 46 2HB LYS 46 -4.284 16.393 4.020 378 2HB LYS 46 1HB LYS 46 -4.381 17.933 3.190 379 1HG LYS 46 2HG LYS 46 -6.133 18.659 4.441 380 2HG LYS 46 1HG LYS 46 -6.766 17.029 4.689 381 1HD LYS 46 2HD LYS 46 -4.135 17.654 5.900 382 2HD LYS 46 1HD LYS 46 -5.551 18.422 6.622 383 1HE LYS 46 2HE LYS 46 -6.575 16.066 6.616 384 2HE LYS 46 1HE LYS 46 -4.928 15.499 6.347 385 1HZ LYS 46 1HZ LYS 46 -5.984 15.877 8.758 386 2HZ LYS 46 2HZ LYS 46 -5.271 17.392 8.520 387 3HZ LYS 46 3HZ LYS 46 -4.326 15.992 8.442 388 HA PRO 47 HA PRO 47 -5.122 17.937 -1.442 389 1HB PRO 47 2HB PRO 47 -5.809 20.529 -1.523 390 2HB PRO 47 1HB PRO 47 -7.027 19.247 -1.533 391 1HG PRO 47 2HG PRO 47 -6.092 20.953 0.743 392 2HG PRO 47 1HG PRO 47 -7.744 20.477 0.307 393 1HD PRO 47 2HD PRO 47 -6.274 19.247 2.261 394 2HD PRO 47 1HD PRO 47 -7.559 18.441 1.341 395 H GLY 48 H GLY 48 -3.469 19.096 -2.502 396 1HA GLY 48 2HA GLY 48 -1.498 20.271 -2.703 397 2HA GLY 48 1HA GLY 48 -1.844 21.021 -1.151 398 H VAL 49 H VAL 49 -2.062 17.748 -0.747 399 HA VAL 49 HA VAL 49 0.755 17.570 0.105 400 HB VAL 49 HB VAL 49 -1.099 15.707 1.400 401 1HG1 VAL 49 1HG1 VAL 49 0.254 17.098 3.335 402 2HG1 VAL 49 2HG1 VAL 49 1.350 17.181 1.955 403 3HG1 VAL 49 3HG1 VAL 49 0.805 15.615 2.555 404 1HG2 VAL 49 1HG2 VAL 49 -1.909 18.429 1.242 405 2HG2 VAL 49 2HG2 VAL 49 -1.398 18.093 2.896 406 3HG2 VAL 49 3HG2 VAL 49 -2.650 17.105 2.144 407 H VAL 50 H VAL 50 1.845 16.258 -1.206 408 HA VAL 50 HA VAL 50 0.456 14.095 -2.566 409 HB VAL 50 HB VAL 50 3.150 15.345 -2.924 410 1HG1 VAL 50 1HG1 VAL 50 3.658 12.967 -2.801 411 2HG1 VAL 50 2HG1 VAL 50 3.755 13.514 -4.477 412 3HG1 VAL 50 3HG1 VAL 50 2.345 12.611 -3.924 413 1HG2 VAL 50 1HG2 VAL 50 1.277 16.168 -4.215 414 2HG2 VAL 50 2HG2 VAL 50 0.927 14.524 -4.766 415 3HG2 VAL 50 3HG2 VAL 50 2.423 15.326 -5.264 416 H TYR 51 H TYR 51 1.030 11.946 -2.429 417 HA TYR 51 HA TYR 51 2.860 11.222 -0.256 418 1HB TYR 51 2HB TYR 51 -0.046 10.487 -0.422 419 2HB TYR 51 1HB TYR 51 1.100 9.430 0.399 420 HD1 TYR 51 1HD TYR 51 2.669 10.677 2.139 421 HD2 TYR 51 2HD TYR 51 -1.118 12.105 0.834 422 HE1 TYR 51 1HE TYR 51 2.503 12.059 4.165 423 HE2 TYR 51 2HE TYR 51 -1.299 13.492 2.857 424 HH TYR 51 HH TYR 51 0.912 14.482 4.613 425 H GLU 52 H GLU 52 4.369 10.185 -1.374 426 HA GLU 52 HA GLU 52 3.602 8.388 -3.540 427 1HB GLU 52 2HB GLU 52 5.511 9.898 -3.888 428 2HB GLU 52 1HB GLU 52 6.330 9.191 -2.502 429 1HG GLU 52 2HG GLU 52 5.905 6.974 -3.945 430 2HG GLU 52 1HG GLU 52 6.005 8.162 -5.244 431 H GLY 53 H GLY 53 3.464 6.247 -3.293 432 1HA GLY 53 2HA GLY 53 4.832 5.024 -1.006 433 2HA GLY 53 1HA GLY 53 3.095 4.813 -1.161 434 H GLN 54 H GLN 54 5.288 2.870 -1.174 435 HA GLN 54 HA GLN 54 4.547 1.533 -3.660 436 1HB GLN 54 2HB GLN 54 6.818 0.694 -3.952 437 2HB GLN 54 1HB GLN 54 6.800 2.452 -3.970 438 1HG GLN 54 2HG GLN 54 7.383 0.988 -1.450 439 2HG GLN 54 1HG GLN 54 8.627 1.192 -2.680 440 1HE2 GLN 54 1HE2 GLN 54 8.733 2.251 -0.062 441 2HE2 GLN 54 2HE2 GLN 54 8.738 3.974 -0.187 442 H LEU 55 H LEU 55 4.115 -0.623 -3.449 443 HA LEU 55 HA LEU 55 4.071 -1.605 -0.692 444 1HB LEU 55 2HB LEU 55 2.132 -1.585 -2.621 445 2HB LEU 55 1HB LEU 55 2.748 -3.222 -2.746 446 HG LEU 55 HG LEU 55 1.734 -1.959 -0.198 447 1HD1 LEU 55 1HD1 LEU 55 -0.233 -3.307 -0.470 448 2HD1 LEU 55 2HD1 LEU 55 0.408 -4.019 -1.951 449 3HD1 LEU 55 3HD1 LEU 55 -0.022 -2.308 -1.910 450 1HD2 LEU 55 1HD2 LEU 55 1.697 -4.756 -0.060 451 2HD2 LEU 55 2HD2 LEU 55 2.757 -3.649 0.813 452 3HD2 LEU 55 3HD2 LEU 55 3.271 -4.328 -0.733 453 H ILE 56 H ILE 56 5.816 -2.698 -0.145 454 HA ILE 56 HA ILE 56 7.037 -4.517 -2.095 455 HB ILE 56 HB ILE 56 8.113 -3.516 0.548 456 1HG1 ILE 56 2HG1 ILE 56 9.835 -2.564 -1.265 457 2HG1 ILE 56 1HG1 ILE 56 8.396 -2.617 -2.278 458 1HG2 ILE 56 1HG2 ILE 56 9.047 -5.570 -1.364 459 2HG2 ILE 56 2HG2 ILE 56 9.266 -5.461 0.382 460 3HG2 ILE 56 3HG2 ILE 56 10.267 -4.487 -0.694 461 1HD1 ILE 56 1HD1 ILE 56 7.370 -0.941 -1.140 462 2HD1 ILE 56 2HD1 ILE 56 9.050 -0.484 -0.860 463 3HD1 ILE 56 3HD1 ILE 56 8.150 -1.348 0.388 464 H SER 57 H SER 57 6.339 -6.544 -1.997 465 HA SER 57 HA SER 57 5.160 -7.585 0.435 466 1HB SER 57 2HB SER 57 5.543 -9.196 -2.068 467 2HB SER 57 1HB SER 57 4.254 -9.289 -0.869 468 HG SER 57 HG SER 57 3.354 -8.243 -2.553 469 H ILE 58 H ILE 58 5.995 -9.087 1.720 470 HA ILE 58 HA ILE 58 8.678 -10.119 1.096 471 HB ILE 58 HB ILE 58 7.602 -9.502 3.846 472 1HG1 ILE 58 2HG1 ILE 58 9.772 -7.871 3.402 473 2HG1 ILE 58 1HG1 ILE 58 8.980 -7.881 1.829 474 1HG2 ILE 58 1HG2 ILE 58 9.324 -10.663 4.639 475 2HG2 ILE 58 2HG2 ILE 58 10.449 -9.726 3.657 476 3HG2 ILE 58 3HG2 ILE 58 9.697 -11.176 2.992 477 1HD1 ILE 58 1HD1 ILE 58 8.335 -6.327 4.052 478 2HD1 ILE 58 2HD1 ILE 58 7.043 -7.520 3.914 479 3HD1 ILE 58 3HD1 ILE 58 7.431 -6.477 2.545 480 H GLN 59 H GLN 59 9.010 -12.272 1.204 481 HA GLN 59 HA GLN 59 6.741 -13.950 1.963 482 1HB GLN 59 2HB GLN 59 8.058 -14.248 -0.229 483 2HB GLN 59 1HB GLN 59 9.325 -14.948 0.769 484 1HG GLN 59 2HG GLN 59 8.025 -16.781 1.355 485 2HG GLN 59 1HG GLN 59 6.519 -15.967 0.942 486 1HE2 GLN 59 1HE2 GLN 59 6.922 -18.475 0.074 487 2HE2 GLN 59 2HE2 GLN 59 7.198 -18.498 -1.630 488 H GLN 60 H GLN 60 7.776 -16.241 2.845 489 HA GLN 60 HA GLN 60 8.377 -15.727 5.523 490 1HB GLN 60 2HB GLN 60 9.220 -18.339 4.388 491 2HB GLN 60 1HB GLN 60 8.289 -17.989 5.837 492 1HG GLN 60 2HG GLN 60 6.327 -17.512 4.474 493 2HG GLN 60 1HG GLN 60 7.260 -17.838 3.013 494 1HE2 GLN 60 1HE2 GLN 60 6.619 -19.691 2.187 495 2HE2 GLN 60 2HE2 GLN 60 6.327 -21.152 3.062 496 H TYR 61 H TYR 61 10.506 -16.172 2.771 497 HA TYR 61 HA TYR 61 12.813 -16.213 4.582 498 1HB TYR 61 2HB TYR 61 13.947 -16.490 2.144 499 2HB TYR 61 1HB TYR 61 13.405 -17.839 3.132 500 HD1 TYR 61 1HD TYR 61 12.094 -15.487 0.536 501 HD2 TYR 61 2HD TYR 61 12.031 -19.417 2.165 502 HE1 TYR 61 1HE TYR 61 10.622 -16.216 -1.294 503 HE2 TYR 61 2HE TYR 61 10.558 -20.157 0.341 504 HH TYR 61 HH TYR 61 9.433 -17.886 -2.148 505 H GLY 62 H GLY 62 10.993 -13.903 3.385 506 1HA GLY 62 2HA GLY 62 11.564 -11.614 3.482 507 2HA GLY 62 1HA GLY 62 13.246 -12.046 3.228 508 H HIS 63 H HIS 63 11.533 -10.040 1.900 509 HA HIS 63 HA HIS 63 11.290 -9.139 -0.178 510 1HB HIS 63 2HB HIS 63 13.101 -11.411 -1.017 511 2HB HIS 63 1HB HIS 63 12.703 -10.008 -2.003 512 HD2 HIS 63 2HD HIS 63 15.798 -10.511 -1.253 513 HE1 HIS 63 1HE HIS 63 15.211 -7.353 1.504 514 HE2 HIS 63 2HE HIS 63 16.916 -8.601 0.101 515 H GLN 64 H GLN 64 10.179 -9.437 -2.232 516 HA GLN 64 HA GLN 64 9.179 -11.875 -3.133 517 1HB GLN 64 2HB GLN 64 7.848 -11.032 -0.812 518 2HB GLN 64 1HB GLN 64 6.749 -10.698 -2.140 519 1HG GLN 64 2HG GLN 64 7.182 -13.129 -0.846 520 2HG GLN 64 1HG GLN 64 6.192 -12.829 -2.273 521 1HE2 GLN 64 1HE2 GLN 64 9.409 -13.707 -1.175 522 2HE2 GLN 64 2HE2 GLN 64 9.879 -14.545 -2.607 523 H GLU 65 H GLU 65 7.864 -8.576 -2.656 524 HA GLU 65 HA GLU 65 7.793 -8.265 -5.567 525 1HB GLU 65 2HB GLU 65 5.573 -9.115 -4.336 526 2HB GLU 65 1HB GLU 65 5.376 -7.387 -4.084 527 1HG GLU 65 2HG GLU 65 5.869 -7.251 -6.646 528 2HG GLU 65 1HG GLU 65 5.378 -8.943 -6.626 529 H VAL 66 H VAL 66 7.936 -6.163 -6.305 530 HA VAL 66 HA VAL 66 7.942 -4.014 -4.309 531 HB VAL 66 HB VAL 66 10.100 -4.366 -6.394 532 1HG1 VAL 66 1HG1 VAL 66 9.696 -2.052 -6.217 533 2HG1 VAL 66 2HG1 VAL 66 11.078 -2.360 -5.164 534 3HG1 VAL 66 3HG1 VAL 66 9.472 -2.142 -4.470 535 1HG2 VAL 66 1HG2 VAL 66 9.892 -5.164 -3.604 536 2HG2 VAL 66 2HG2 VAL 66 11.290 -4.136 -3.916 537 3HG2 VAL 66 3HG2 VAL 66 11.073 -5.631 -4.828 538 H THR 67 H THR 67 6.427 -2.619 -4.929 539 HA THR 67 HA THR 67 6.337 -1.808 -7.749 540 HB THR 67 HB THR 67 3.913 -2.546 -6.095 541 HG1 THR 67 1HG THR 67 4.975 -4.321 -7.095 542 1HG2 THR 67 1HG2 THR 67 3.143 -2.065 -8.734 543 2HG2 THR 67 2HG2 THR 67 4.207 -0.722 -8.320 544 3HG2 THR 67 3HG2 THR 67 2.789 -1.061 -7.329 545 H ARG 68 H ARG 68 6.579 0.322 -7.873 546 HA ARG 68 HA ARG 68 5.987 1.967 -5.527 547 1HB ARG 68 2HB ARG 68 7.501 2.651 -8.052 548 2HB ARG 68 1HB ARG 68 7.348 3.680 -6.634 549 1HG ARG 68 2HG ARG 68 8.802 2.428 -5.396 550 2HG ARG 68 1HG ARG 68 8.466 0.947 -6.293 551 1HD ARG 68 2HD ARG 68 10.744 2.168 -6.611 552 2HD ARG 68 1HD ARG 68 9.901 1.504 -8.010 553 HE ARG 68 HE ARG 68 9.166 3.756 -8.528 554 1HH1 ARG 68 1HH1 ARG 68 11.725 3.447 -6.181 555 2HH1 ARG 68 2HH1 ARG 68 12.310 5.060 -6.417 556 1HH2 ARG 68 1HH2 ARG 68 9.933 5.880 -8.846 557 2HH2 ARG 68 2HH2 ARG 68 11.292 6.443 -7.932 558 H PHE 69 H PHE 69 4.374 3.443 -5.492 559 HA PHE 69 HA PHE 69 3.179 4.367 -7.980 560 1HB PHE 69 2HB PHE 69 0.907 3.717 -7.339 561 2HB PHE 69 1HB PHE 69 1.948 2.311 -7.510 562 HD1 PHE 69 1HD PHE 69 2.974 1.352 -5.332 563 HD2 PHE 69 2HD PHE 69 -0.348 4.014 -5.422 564 HE1 PHE 69 1HE PHE 69 2.314 0.598 -3.089 565 HE2 PHE 69 2HE PHE 69 -1.007 3.267 -3.172 566 HZ PHE 69 HZ PHE 69 0.325 1.559 -2.004 567 H ASP 70 H ASP 70 2.532 6.430 -7.875 568 HA ASP 70 HA ASP 70 2.597 7.761 -5.266 569 1HB ASP 70 2HB ASP 70 2.391 9.016 -8.013 570 2HB ASP 70 1HB ASP 70 2.769 9.835 -6.499 571 H PHE 71 H PHE 71 0.824 8.862 -4.403 572 HA PHE 71 HA PHE 71 -1.624 9.010 -5.959 573 1HB PHE 71 2HB PHE 71 -2.955 7.697 -4.419 574 2HB PHE 71 1HB PHE 71 -1.619 6.719 -5.026 575 HD1 PHE 71 1HD PHE 71 0.357 6.306 -3.567 576 HD2 PHE 71 2HD PHE 71 -3.194 8.147 -2.115 577 HE1 PHE 71 1HE PHE 71 1.045 5.803 -1.260 578 HE2 PHE 71 2HE PHE 71 -2.511 7.649 0.196 579 HZ PHE 71 HZ PHE 71 -0.388 6.476 0.625 580 H THR 72 H THR 72 -3.361 10.109 -4.869 581 HA THR 72 HA THR 72 -2.734 11.633 -2.483 582 HB THR 72 HB THR 72 -3.680 13.715 -3.814 583 HG1 THR 72 1HG THR 72 -3.922 12.876 -5.834 584 1HG2 THR 72 1HG2 THR 72 -1.622 14.553 -3.487 585 2HG2 THR 72 2HG2 THR 72 -0.872 13.358 -4.544 586 3HG2 THR 72 3HG2 THR 72 -1.213 12.956 -2.862 587 H THR 73 H THR 73 -4.725 12.948 -1.814 588 HA THR 73 HA THR 73 -7.075 11.271 -2.299 589 HB THR 73 HB THR 73 -6.496 11.615 0.035 590 HG1 THR 73 1HG THR 73 -8.762 11.570 -0.661 591 1HG2 THR 73 1HG2 THR 73 -5.471 13.582 0.459 592 2HG2 THR 73 2HG2 THR 73 -7.114 14.161 0.732 593 3HG2 THR 73 3HG2 THR 73 -6.336 14.426 -0.825 594 H THR 74 H THR 74 -6.173 14.712 -2.254 595 HA THR 74 HA THR 74 -8.354 15.224 -4.150 596 HB THR 74 HB THR 74 -9.429 16.105 -2.313 597 HG1 THR 74 1HG THR 74 -8.006 18.458 -2.527 598 1HG2 THR 74 1HG2 THR 74 -8.150 15.845 -0.446 599 2HG2 THR 74 2HG2 THR 74 -7.928 17.581 -0.656 600 3HG2 THR 74 3HG2 THR 74 -6.694 16.460 -1.226 601 H SER 75 H SER 75 -5.145 15.370 -3.485 602 HA SER 75 HA SER 75 -4.596 17.893 -4.820 603 1HB SER 75 2HB SER 75 -2.379 16.014 -4.238 604 2HB SER 75 1HB SER 75 -2.494 17.748 -3.944 605 HG SER 75 HG SER 75 -3.309 15.607 -2.351 606 H THR 76 H THR 76 -2.934 17.888 -6.597 607 HA THR 76 HA THR 76 -3.754 15.955 -8.617 608 HB THR 76 HB THR 76 -1.924 17.684 -9.803 609 HG1 THR 76 1HG THR 76 -2.632 19.744 -9.091 610 1HG2 THR 76 1HG2 THR 76 -4.699 17.029 -9.954 611 2HG2 THR 76 2HG2 THR 76 -3.650 17.693 -11.206 612 3HG2 THR 76 3HG2 THR 76 -4.514 18.775 -10.114 613 H SER 77 H SER 77 -2.658 14.075 -8.362 614 HA SER 77 HA SER 77 0.020 13.910 -9.224 615 1HB SER 77 2HB SER 77 -0.172 14.556 -6.516 616 2HB SER 77 1HB SER 77 0.136 12.819 -6.532 617 HG SER 77 HG SER 77 2.056 13.147 -7.427 618 H THR 78 H THR 78 -0.394 12.211 -10.498 619 HA THR 78 HA THR 78 -0.747 9.629 -9.353 620 HB THR 78 HB THR 78 -2.914 9.547 -11.105 621 HG1 THR 78 1HG THR 78 -4.169 11.265 -9.731 622 1HG2 THR 78 1HG2 THR 78 -2.484 9.377 -8.174 623 2HG2 THR 78 2HG2 THR 78 -3.171 8.194 -9.288 624 3HG2 THR 78 3HG2 THR 78 -4.148 9.554 -8.733 625 HA PRO 79 HA PRO 79 1.547 9.134 -13.186 626 1HB PRO 79 2HB PRO 79 2.016 6.459 -12.881 627 2HB PRO 79 1HB PRO 79 2.965 7.716 -12.079 628 1HG PRO 79 2HG PRO 79 0.703 6.074 -11.006 629 2HG PRO 79 1HG PRO 79 2.236 6.512 -10.228 630 1HD PRO 79 2HD PRO 79 -0.058 7.799 -9.663 631 2HD PRO 79 1HD PRO 79 1.504 8.644 -9.700 632 H GLY 80 H GLY 80 1.131 8.297 -15.220 633 1HA GLY 80 2HA GLY 80 -1.469 6.919 -15.495 634 2HA GLY 80 1HA GLY 80 -0.844 8.076 -16.661 635 H SER 81 H SER 81 1.894 6.889 -16.370 636 HA SER 81 HA SER 81 1.584 4.215 -17.448 637 1HB SER 81 2HB SER 81 3.280 5.344 -19.337 638 2HB SER 81 1HB SER 81 1.594 4.888 -19.594 639 HG SER 81 HG SER 81 2.732 7.392 -19.279 640 H ARG 82 H ARG 82 2.697 4.458 -15.166 641 HA ARG 82 HA ARG 82 4.546 3.997 -13.931 642 1HB ARG 82 2HB ARG 82 5.267 3.151 -16.633 643 2HB ARG 82 1HB ARG 82 6.662 3.601 -15.662 644 1HG ARG 82 2HG ARG 82 4.560 1.642 -14.770 645 2HG ARG 82 1HG ARG 82 6.064 1.187 -15.574 646 1HD ARG 82 2HD ARG 82 7.345 2.218 -13.768 647 2HD ARG 82 1HD ARG 82 5.847 2.696 -12.970 648 HE ARG 82 HE ARG 82 5.392 0.340 -12.612 649 1HH1 ARG 82 1HH1 ARG 82 8.632 1.177 -13.583 650 2HH1 ARG 82 2HH1 ARG 82 9.337 -0.265 -12.933 651 1HH2 ARG 82 1HH2 ARG 82 6.311 -1.560 -11.750 652 2HH2 ARG 82 2HH2 ARG 82 8.018 -1.820 -11.891 653 H SER 83 H SER 83 6.557 4.905 -13.193 654 HA SER 83 HA SER 83 6.696 7.728 -13.673 655 1HB SER 83 2HB SER 83 7.251 6.172 -11.513 656 2HB SER 83 1HB SER 83 8.877 6.463 -12.132 657 HG SER 83 HG SER 83 8.142 8.073 -10.632 658 H HIS 84 H HIS 84 8.752 8.847 -14.144 659 HA HIS 84 HA HIS 84 9.868 7.919 -16.571 660 1HB HIS 84 2HB HIS 84 9.624 10.336 -15.799 661 2HB HIS 84 1HB HIS 84 11.061 10.066 -14.820 662 HD2 HIS 84 2HD HIS 84 13.016 11.335 -16.138 663 HE1 HIS 84 1HE HIS 84 12.107 9.859 -19.999 664 HE2 HIS 84 2HE HIS 84 13.629 11.380 -18.657 665 H HIS 85 H HIS 85 11.159 6.200 -16.668 666 HA HIS 85 HA HIS 85 12.880 5.439 -14.498 667 1HB HIS 85 2HB HIS 85 12.902 4.314 -17.300 668 2HB HIS 85 1HB HIS 85 13.450 3.532 -15.821 669 HD2 HIS 85 2HD HIS 85 11.534 2.218 -14.381 670 HE1 HIS 85 1HE HIS 85 8.312 3.207 -16.942 671 HE2 HIS 85 2HE HIS 85 9.089 1.686 -15.067 672 H HIS 86 H HIS 86 14.352 7.119 -14.222 673 HA HIS 86 HA HIS 86 15.862 8.272 -16.312 674 1HB HIS 86 2HB HIS 86 15.492 9.267 -14.029 675 2HB HIS 86 1HB HIS 86 16.656 8.104 -13.400 676 HD2 HIS 86 2HD HIS 86 16.792 10.780 -16.320 677 HE1 HIS 86 1HE HIS 86 20.401 10.808 -14.108 678 HE2 HIS 86 2HE HIS 86 19.067 11.962 -15.930 679 H HIS 87 H HIS 87 17.302 6.396 -13.652 680 HA HIS 87 HA HIS 87 18.546 4.511 -15.414 681 1HB HIS 87 2HB HIS 87 19.857 6.936 -15.221 682 2HB HIS 87 1HB HIS 87 20.684 5.945 -14.024 683 HD2 HIS 87 2HD HIS 87 19.438 4.337 -17.347 684 HE1 HIS 87 1HE HIS 87 23.663 4.569 -17.403 685 HE2 HIS 87 2HE HIS 87 21.621 3.537 -18.496 686 H HIS 88 H HIS 88 18.168 5.951 -12.268 687 HA HIS 88 HA HIS 88 19.028 3.416 -11.034 688 1HB HIS 88 2HB HIS 88 20.308 5.633 -10.539 689 2HB HIS 88 1HB HIS 88 18.916 6.013 -9.529 690 HD2 HIS 88 2HD HIS 88 22.190 4.987 -8.741 691 HE1 HIS 88 1HE HIS 88 19.861 2.255 -6.501 692 HE2 HIS 88 2HE HIS 88 22.123 3.381 -6.706 693 H HIS 89 H HIS 89 17.138 2.327 -10.854 694 HA HIS 89 HA HIS 89 14.818 3.701 -9.711 695 1HB HIS 89 2HB HIS 89 14.634 0.855 -10.542 696 2HB HIS 89 1HB HIS 89 13.477 2.165 -10.749 697 HD2 HIS 89 2HD HIS 89 14.087 3.918 -12.945 698 HE1 HIS 89 1HE HIS 89 16.487 0.996 -14.844 699 HE2 HIS 89 2HE HIS 89 15.136 3.115 -15.177 Start of MODEL 33 1 1H MET 1 1HT MET 1 -13.869 -23.753 -5.537 2 2H MET 1 2HT MET 1 -13.474 -24.345 -4.003 3 3H MET 1 3HT MET 1 -12.833 -22.872 -4.532 4 HA MET 1 HA MET 1 -15.606 -23.493 -3.742 5 1HB MET 1 2HB MET 1 -13.319 -22.096 -2.632 6 2HB MET 1 1HB MET 1 -14.720 -21.040 -2.723 7 1HG MET 1 2HG MET 1 -15.814 -22.133 -1.102 8 2HG MET 1 1HG MET 1 -15.262 -23.714 -1.652 9 1HE MET 1 1HE MET 1 -14.556 -20.510 -0.064 10 2HE MET 1 2HE MET 1 -12.804 -20.580 0.135 11 3HE MET 1 3HE MET 1 -13.863 -20.968 1.492 12 H ARG 2 H ARG 2 -13.619 -20.859 -5.096 13 HA ARG 2 HA ARG 2 -15.939 -20.058 -6.719 14 1HB ARG 2 2HB ARG 2 -15.006 -17.666 -6.406 15 2HB ARG 2 1HB ARG 2 -15.946 -18.380 -5.102 16 1HG ARG 2 2HG ARG 2 -13.881 -18.964 -3.932 17 2HG ARG 2 1HG ARG 2 -12.940 -18.241 -5.239 18 1HD ARG 2 2HD ARG 2 -12.998 -16.428 -3.893 19 2HD ARG 2 1HD ARG 2 -14.568 -16.186 -4.659 20 HE ARG 2 HE ARG 2 -15.252 -17.674 -2.566 21 1HH1 ARG 2 1HH1 ARG 2 -13.140 -14.908 -2.776 22 2HH1 ARG 2 2HH1 ARG 2 -13.477 -14.368 -1.165 23 1HH2 ARG 2 1HH2 ARG 2 -15.701 -16.967 -0.446 24 2HH2 ARG 2 2HH2 ARG 2 -14.932 -15.538 0.160 25 H GLY 3 H GLY 3 -12.570 -20.653 -6.471 26 1HA GLY 3 2HA GLY 3 -11.967 -19.390 -9.032 27 2HA GLY 3 1HA GLY 3 -10.812 -20.160 -7.955 28 H SER 4 H SER 4 -13.177 -22.325 -8.010 29 HA SER 4 HA SER 4 -13.519 -24.330 -9.016 30 1HB SER 4 2HB SER 4 -13.642 -22.449 -11.054 31 2HB SER 4 1HB SER 4 -12.532 -23.669 -11.678 32 HG SER 4 HG SER 4 -14.953 -24.442 -10.475 33 H ASN 5 H ASN 5 -10.934 -23.492 -11.257 34 HA ASN 5 HA ASN 5 -9.545 -25.888 -10.898 35 1HB ASN 5 2HB ASN 5 -9.196 -23.440 -12.397 36 2HB ASN 5 1HB ASN 5 -7.653 -24.006 -11.763 37 1HD2 ASN 5 1HD2 ASN 5 -10.505 -25.783 -12.869 38 2HD2 ASN 5 2HD2 ASN 5 -9.688 -26.672 -14.104 39 H ALA 6 H ALA 6 -8.799 -22.645 -9.632 40 HA ALA 6 HA ALA 6 -7.149 -23.939 -7.558 41 1HB ALA 6 1HB ALA 6 -5.998 -22.483 -9.369 42 2HB ALA 6 2HB ALA 6 -5.551 -22.270 -7.676 43 3HB ALA 6 3HB ALA 6 -6.652 -21.128 -8.449 44 HA PRO 7 HA PRO 7 -10.266 -22.117 -4.898 45 1HB PRO 7 2HB PRO 7 -9.074 -22.810 -2.540 46 2HB PRO 7 1HB PRO 7 -10.049 -23.922 -3.508 47 1HG PRO 7 2HG PRO 7 -7.073 -23.636 -3.371 48 2HG PRO 7 1HG PRO 7 -8.055 -25.112 -3.415 49 1HD PRO 7 2HD PRO 7 -6.797 -24.169 -5.602 50 2HD PRO 7 1HD PRO 7 -8.372 -24.983 -5.703 51 H GLN 8 H GLN 8 -7.593 -21.846 -2.731 52 HA GLN 8 HA GLN 8 -7.874 -18.968 -2.697 53 1HB GLN 8 2HB GLN 8 -6.138 -19.164 -0.843 54 2HB GLN 8 1HB GLN 8 -7.694 -19.929 -0.550 55 1HG GLN 8 2HG GLN 8 -6.750 -22.097 -1.126 56 2HG GLN 8 1HG GLN 8 -5.195 -21.339 -1.459 57 1HE2 GLN 8 1HE2 GLN 8 -5.418 -23.387 0.349 58 2HE2 GLN 8 2HE2 GLN 8 -5.134 -22.785 1.943 59 HA PRO 9 HA PRO 9 -4.410 -18.107 -5.298 60 1HB PRO 9 2HB PRO 9 -3.908 -15.625 -3.865 61 2HB PRO 9 1HB PRO 9 -4.571 -15.858 -5.483 62 1HG PRO 9 2HG PRO 9 -6.038 -14.933 -3.393 63 2HG PRO 9 1HG PRO 9 -6.736 -15.854 -4.736 64 1HD PRO 9 2HD PRO 9 -6.004 -16.771 -1.983 65 2HD PRO 9 1HD PRO 9 -7.413 -17.201 -2.978 66 H SER 10 H SER 10 -2.223 -16.492 -4.627 67 HA SER 10 HA SER 10 -0.845 -18.132 -2.603 68 1HB SER 10 2HB SER 10 -0.130 -17.449 -5.372 69 2HB SER 10 1HB SER 10 1.172 -17.205 -4.207 70 HG SER 10 HG SER 10 0.728 -19.398 -3.496 71 H HIS 11 H HIS 11 -1.742 -16.322 -1.226 72 HA HIS 11 HA HIS 11 -0.766 -13.691 -1.448 73 1HB HIS 11 2HB HIS 11 -1.603 -13.351 0.777 74 2HB HIS 11 1HB HIS 11 -2.729 -14.411 -0.064 75 HD2 HIS 11 2HD HIS 11 -1.447 -14.188 3.300 76 HE1 HIS 11 1HE HIS 11 -1.467 -18.346 2.516 77 HE2 HIS 11 2HE HIS 11 -1.140 -16.565 4.291 78 H ILE 12 H ILE 12 0.684 -12.620 0.115 79 HA ILE 12 HA ILE 12 3.114 -14.214 0.469 80 HB ILE 12 HB ILE 12 3.397 -12.140 -0.759 81 1HG1 ILE 12 2HG1 ILE 12 4.790 -11.006 1.403 82 2HG1 ILE 12 1HG1 ILE 12 4.760 -12.738 1.722 83 1HG2 ILE 12 1HG2 ILE 12 1.572 -10.834 0.021 84 2HG2 ILE 12 2HG2 ILE 12 3.048 -9.956 0.424 85 3HG2 ILE 12 3HG2 ILE 12 2.183 -10.851 1.674 86 1HD1 ILE 12 1HD1 ILE 12 6.656 -11.590 0.278 87 2HD1 ILE 12 2HD1 ILE 12 5.489 -11.878 -1.012 88 3HD1 ILE 12 3HD1 ILE 12 6.086 -13.227 -0.045 89 H SER 13 H SER 13 4.301 -14.167 2.437 90 HA SER 13 HA SER 13 2.890 -14.603 4.759 91 1HB SER 13 2HB SER 13 5.493 -14.830 4.091 92 2HB SER 13 1HB SER 13 5.576 -13.387 5.104 93 HG SER 13 HG SER 13 5.675 -15.706 6.034 94 H LYS 14 H LYS 14 4.444 -11.596 3.686 95 HA LYS 14 HA LYS 14 2.478 -10.014 5.043 96 1HB LYS 14 2HB LYS 14 4.112 -8.788 6.468 97 2HB LYS 14 1HB LYS 14 3.856 -10.455 6.964 98 1HG LYS 14 2HG LYS 14 5.940 -11.060 5.729 99 2HG LYS 14 1HG LYS 14 6.215 -9.335 5.472 100 1HD LYS 14 2HD LYS 14 6.267 -8.971 7.881 101 2HD LYS 14 1HD LYS 14 5.944 -10.684 8.158 102 1HE LYS 14 2HE LYS 14 8.281 -9.931 6.477 103 2HE LYS 14 1HE LYS 14 8.398 -9.710 8.222 104 1HZ LYS 14 1HZ LYS 14 9.136 -11.841 8.021 105 2HZ LYS 14 2HZ LYS 14 8.175 -12.186 6.673 106 3HZ LYS 14 3HZ LYS 14 7.484 -12.150 8.216 107 H TYR 15 H TYR 15 2.404 -7.917 4.302 108 HA TYR 15 HA TYR 15 4.313 -7.237 2.159 109 1HB TYR 15 2HB TYR 15 1.480 -7.360 2.123 110 2HB TYR 15 1HB TYR 15 1.908 -5.654 2.056 111 HD1 TYR 15 1HD TYR 15 0.902 -8.105 0.031 112 HD2 TYR 15 2HD TYR 15 4.244 -5.498 0.415 113 HE1 TYR 15 1HE TYR 15 1.332 -8.311 -2.381 114 HE2 TYR 15 2HE TYR 15 4.684 -5.698 -1.996 115 HH TYR 15 HH TYR 15 2.679 -7.780 -4.063 116 H ILE 16 H ILE 16 5.277 -5.214 2.197 117 HA ILE 16 HA ILE 16 4.691 -3.594 4.584 118 HB ILE 16 HB ILE 16 7.231 -4.506 3.460 119 1HG1 ILE 16 2HG1 ILE 16 6.405 -4.914 5.772 120 2HG1 ILE 16 1HG1 ILE 16 7.990 -4.149 5.733 121 1HG2 ILE 16 1HG2 ILE 16 7.350 -2.225 2.605 122 2HG2 ILE 16 2HG2 ILE 16 8.500 -2.466 3.920 123 3HG2 ILE 16 3HG2 ILE 16 6.995 -1.593 4.213 124 1HD1 ILE 16 1HD1 ILE 16 5.416 -2.646 6.139 125 2HD1 ILE 16 2HD1 ILE 16 7.060 -2.035 6.326 126 3HD1 ILE 16 3HD1 ILE 16 6.434 -3.242 7.451 127 H LEU 17 H LEU 17 3.924 -1.629 4.263 128 HA LEU 17 HA LEU 17 4.148 -0.482 1.565 129 1HB LEU 17 2HB LEU 17 1.862 -1.032 2.741 130 2HB LEU 17 1HB LEU 17 2.163 0.475 3.585 131 HG LEU 17 HG LEU 17 2.535 0.829 0.745 132 1HD1 LEU 17 1HD1 LEU 17 0.782 -0.164 -0.181 133 2HD1 LEU 17 2HD1 LEU 17 -0.303 0.475 1.053 134 3HD1 LEU 17 3HD1 LEU 17 0.551 -1.043 1.330 135 1HD2 LEU 17 1HD2 LEU 17 1.093 2.061 3.007 136 2HD2 LEU 17 2HD2 LEU 17 0.441 2.371 1.397 137 3HD2 LEU 17 3HD2 LEU 17 2.111 2.797 1.770 138 H ARG 18 H ARG 18 5.627 1.037 1.420 139 HA ARG 18 HA ARG 18 6.105 2.769 3.747 140 1HB ARG 18 2HB ARG 18 7.968 2.101 1.461 141 2HB ARG 18 1HB ARG 18 8.343 3.179 2.797 142 1HG ARG 18 2HG ARG 18 8.663 1.479 4.266 143 2HG ARG 18 1HG ARG 18 7.491 0.426 3.475 144 1HD ARG 18 2HD ARG 18 10.333 0.486 3.196 145 2HD ARG 18 1HD ARG 18 9.174 -0.650 2.509 146 HE ARG 18 HE ARG 18 8.921 1.178 0.720 147 1HH1 ARG 18 1HH1 ARG 18 11.874 0.422 2.408 148 2HH1 ARG 18 2HH1 ARG 18 12.899 0.935 1.110 149 1HH2 ARG 18 1HH2 ARG 18 10.260 1.854 -0.995 150 2HH2 ARG 18 2HH2 ARG 18 11.981 1.749 -0.826 151 H TRP 19 H TRP 19 5.650 4.888 3.543 152 HA TRP 19 HA TRP 19 5.599 6.050 0.880 153 1HB TRP 19 2HB TRP 19 3.366 6.837 0.961 154 2HB TRP 19 1HB TRP 19 3.305 5.128 1.374 155 HD1 TRP 19 HD TRP 19 2.473 8.544 2.720 156 HE1 TRP 19 1HE TRP 19 1.323 8.304 5.011 157 HE3 TRP 19 3HE TRP 19 3.334 3.575 3.540 158 HZ2 TRP 19 2HZ TRP 19 0.846 6.272 6.917 159 HZ3 TRP 19 3HZ TRP 19 2.500 2.559 5.620 160 HH2 TRP 19 HH TRP 19 1.283 3.880 7.272 161 H ARG 20 H ARG 20 5.793 8.238 0.766 162 HA ARG 20 HA ARG 20 5.935 9.823 3.189 163 1HB ARG 20 2HB ARG 20 8.156 9.728 3.426 164 2HB ARG 20 1HB ARG 20 8.285 8.683 2.022 165 1HG ARG 20 2HG ARG 20 8.015 11.620 1.609 166 2HG ARG 20 1HG ARG 20 9.566 10.960 2.130 167 1HD ARG 20 2HD ARG 20 8.844 9.257 0.107 168 2HD ARG 20 1HD ARG 20 8.234 10.809 -0.465 169 HE ARG 20 HE ARG 20 11.035 10.456 0.376 170 1HH1 ARG 20 1HH1 ARG 20 8.644 11.515 -1.929 171 2HH1 ARG 20 2HH1 ARG 20 9.805 12.235 -2.994 172 1HH2 ARG 20 1HH2 ARG 20 12.567 11.404 -1.022 173 2HH2 ARG 20 2HH2 ARG 20 12.032 12.172 -2.479 174 HA PRO 21 HA PRO 21 4.253 12.903 0.520 175 1HB PRO 21 2HB PRO 21 5.978 14.836 1.976 176 2HB PRO 21 1HB PRO 21 4.227 14.848 1.735 177 1HG PRO 21 2HG PRO 21 5.263 14.198 4.098 178 2HG PRO 21 1HG PRO 21 3.850 13.345 3.452 179 1HD PRO 21 2HD PRO 21 6.691 12.455 3.574 180 2HD PRO 21 1HD PRO 21 5.206 11.522 3.823 181 H LYS 22 H LYS 22 5.005 12.782 -1.515 182 HA LYS 22 HA LYS 22 7.729 13.105 -2.247 183 1HB LYS 22 2HB LYS 22 5.208 12.527 -3.568 184 2HB LYS 22 1HB LYS 22 6.196 13.623 -4.523 185 1HG LYS 22 2HG LYS 22 8.055 12.039 -4.419 186 2HG LYS 22 1HG LYS 22 7.058 10.936 -3.468 187 1HD LYS 22 2HD LYS 22 6.128 10.109 -5.313 188 2HD LYS 22 1HD LYS 22 5.658 11.724 -5.850 189 1HE LYS 22 2HE LYS 22 8.502 10.914 -6.154 190 2HE LYS 22 1HE LYS 22 7.317 10.209 -7.252 191 1HZ LYS 22 1HZ LYS 22 6.924 12.192 -8.249 192 2HZ LYS 22 2HZ LYS 22 8.519 12.482 -7.766 193 3HZ LYS 22 3HZ LYS 22 7.234 13.102 -6.856 194 H ASN 23 H ASN 23 4.990 15.258 -2.001 195 HA ASN 23 HA ASN 23 6.295 17.452 -3.339 196 1HB ASN 23 2HB ASN 23 3.779 17.029 -3.259 197 2HB ASN 23 1HB ASN 23 3.834 17.605 -1.596 198 1HD2 ASN 23 1HD2 ASN 23 5.484 18.701 -4.536 199 2HD2 ASN 23 2HD2 ASN 23 4.893 20.324 -4.467 200 H SER 24 H SER 24 6.233 16.153 -0.182 201 HA SER 24 HA SER 24 7.932 18.307 0.776 202 1HB SER 24 2HB SER 24 5.188 17.774 1.800 203 2HB SER 24 1HB SER 24 6.438 18.114 2.996 204 HG SER 24 HG SER 24 5.497 19.750 0.901 205 H VAL 25 H VAL 25 9.331 16.386 0.427 206 HA VAL 25 HA VAL 25 9.231 13.975 1.697 207 HB VAL 25 HB VAL 25 11.654 13.882 1.596 208 1HG1 VAL 25 1HG1 VAL 25 11.559 15.260 -0.860 209 2HG1 VAL 25 2HG1 VAL 25 9.946 14.605 -0.579 210 3HG1 VAL 25 3HG1 VAL 25 11.347 13.532 -0.574 211 1HG2 VAL 25 1HG2 VAL 25 12.574 15.828 2.360 212 2HG2 VAL 25 2HG2 VAL 25 11.391 16.841 1.533 213 3HG2 VAL 25 3HG2 VAL 25 12.711 16.107 0.624 214 H GLY 26 H GLY 26 9.914 13.108 3.653 215 1HA GLY 26 2HA GLY 26 11.235 14.297 5.734 216 2HA GLY 26 1HA GLY 26 9.569 14.818 5.930 217 H ARG 27 H ARG 27 11.657 11.978 5.705 218 HA ARG 27 HA ARG 27 11.565 9.929 6.683 219 1HB ARG 27 2HB ARG 27 11.195 11.140 8.761 220 2HB ARG 27 1HB ARG 27 9.473 11.247 8.422 221 1HG ARG 27 2HG ARG 27 9.819 8.575 8.316 222 2HG ARG 27 1HG ARG 27 11.061 9.017 9.491 223 1HD ARG 27 2HD ARG 27 9.149 8.622 10.782 224 2HD ARG 27 1HD ARG 27 9.232 10.377 10.645 225 HE ARG 27 HE ARG 27 7.498 8.794 8.871 226 1HH1 ARG 27 1HH1 ARG 27 7.962 11.340 11.201 227 2HH1 ARG 27 2HH1 ARG 27 6.357 11.965 11.030 228 1HH2 ARG 27 1HH2 ARG 27 5.383 9.607 8.636 229 2HH2 ARG 27 2HH2 ARG 27 4.888 10.978 9.572 230 H TRP 28 H TRP 28 10.471 7.964 6.518 231 HA TRP 28 HA TRP 28 8.038 8.076 4.879 232 1HB TRP 28 2HB TRP 28 10.105 5.907 5.286 233 2HB TRP 28 1HB TRP 28 8.610 5.660 4.392 234 HD1 TRP 28 HD TRP 28 11.617 8.127 4.230 235 HE1 TRP 28 1HE TRP 28 12.150 8.548 1.747 236 HE3 TRP 28 3HE TRP 28 7.911 5.312 2.116 237 HZ2 TRP 28 2HZ TRP 28 11.131 7.785 -0.777 238 HZ3 TRP 28 3HZ TRP 28 7.756 5.211 -0.338 239 HH2 TRP 28 HH TRP 28 9.333 6.423 -1.753 240 H LYS 29 H LYS 29 6.831 5.761 5.217 241 HA LYS 29 HA LYS 29 6.466 5.276 8.082 242 1HB LYS 29 2HB LYS 29 4.544 6.566 6.296 243 2HB LYS 29 1HB LYS 29 3.881 5.150 7.100 244 1HG LYS 29 2HG LYS 29 5.253 6.605 9.072 245 2HG LYS 29 1HG LYS 29 4.325 7.776 8.135 246 1HD LYS 29 2HD LYS 29 2.292 6.738 8.627 247 2HD LYS 29 1HD LYS 29 3.072 5.229 9.104 248 1HE LYS 29 2HE LYS 29 2.848 5.941 11.207 249 2HE LYS 29 1HE LYS 29 4.145 7.078 10.843 250 1HZ LYS 29 1HZ LYS 29 2.119 8.099 11.819 251 2HZ LYS 29 2HZ LYS 29 1.270 7.675 10.419 252 3HZ LYS 29 3HZ LYS 29 2.566 8.758 10.326 253 H GLU 30 H GLU 30 5.493 3.196 8.545 254 HA GLU 30 HA GLU 30 5.550 1.377 6.228 255 1HB GLU 30 2HB GLU 30 6.193 -0.147 8.495 256 2HB GLU 30 1HB GLU 30 7.250 0.291 7.162 257 1HG GLU 30 2HG GLU 30 8.508 1.192 8.775 258 2HG GLU 30 1HG GLU 30 7.379 2.540 8.649 259 H ALA 31 H ALA 31 4.014 -0.124 6.034 260 HA ALA 31 HA ALA 31 2.131 -0.608 8.219 261 1HB ALA 31 1HB ALA 31 1.371 1.236 6.513 262 2HB ALA 31 2HB ALA 31 0.231 0.013 7.075 263 3HB ALA 31 3HB ALA 31 0.997 -0.155 5.495 264 H THR 32 H THR 32 2.265 -2.755 8.489 265 HA THR 32 HA THR 32 2.851 -4.448 6.194 266 HB THR 32 HB THR 32 2.534 -5.546 8.955 267 HG1 THR 32 1HG THR 32 4.942 -5.000 9.017 268 1HG2 THR 32 1HG2 THR 32 4.405 -6.154 6.660 269 2HG2 THR 32 2HG2 THR 32 2.967 -7.075 7.096 270 3HG2 THR 32 3HG2 THR 32 4.345 -7.022 8.194 271 H ILE 33 H ILE 33 1.423 -5.633 5.167 272 HA ILE 33 HA ILE 33 -1.028 -6.506 6.517 273 HB ILE 33 HB ILE 33 -1.154 -5.500 3.686 274 1HG1 ILE 33 2HG1 ILE 33 -2.283 -3.739 5.759 275 2HG1 ILE 33 1HG1 ILE 33 -0.524 -3.807 5.742 276 1HG2 ILE 33 1HG2 ILE 33 -3.415 -5.745 3.861 277 2HG2 ILE 33 2HG2 ILE 33 -3.425 -5.452 5.600 278 3HG2 ILE 33 3HG2 ILE 33 -2.893 -7.011 4.971 279 1HD1 ILE 33 1HD1 ILE 33 -1.297 -3.527 3.071 280 2HD1 ILE 33 2HD1 ILE 33 -0.552 -2.315 4.115 281 3HD1 ILE 33 3HD1 ILE 33 -2.308 -2.414 3.992 282 HA PRO 34 HA PRO 34 0.818 -10.168 4.591 283 1HB PRO 34 2HB PRO 34 -1.384 -11.534 5.999 284 2HB PRO 34 1HB PRO 34 0.359 -11.808 6.093 285 1HG PRO 34 2HG PRO 34 -0.986 -10.649 8.103 286 2HG PRO 34 1HG PRO 34 0.668 -10.161 7.685 287 1HD PRO 34 2HD PRO 34 -1.925 -8.812 7.044 288 2HD PRO 34 1HD PRO 34 -0.380 -8.098 7.540 289 H GLY 35 H GLY 35 0.363 -10.247 2.485 290 1HA GLY 35 2HA GLY 35 -0.770 -10.556 0.514 291 2HA GLY 35 1HA GLY 35 -1.607 -11.814 1.404 292 H HIS 36 H HIS 36 -1.931 -8.497 2.398 293 HA HIS 36 HA HIS 36 -3.703 -7.074 2.444 294 1HB HIS 36 2HB HIS 36 -3.340 -7.662 -0.187 295 2HB HIS 36 1HB HIS 36 -5.014 -8.159 0.034 296 HD2 HIS 36 2HD HIS 36 -4.435 -5.218 2.278 297 HE1 HIS 36 1HE HIS 36 -5.778 -3.648 -1.418 298 HE2 HIS 36 2HE HIS 36 -5.153 -3.091 0.974 299 H LEU 37 H LEU 37 -5.205 -7.326 3.935 300 HA LEU 37 HA LEU 37 -6.681 -9.796 4.182 301 1HB LEU 37 2HB LEU 37 -6.574 -7.250 5.784 302 2HB LEU 37 1HB LEU 37 -7.744 -8.508 6.132 303 HG LEU 37 HG LEU 37 -6.011 -10.069 6.709 304 1HD1 LEU 37 1HD1 LEU 37 -4.417 -9.143 4.932 305 2HD1 LEU 37 2HD1 LEU 37 -3.720 -9.725 6.443 306 3HD1 LEU 37 3HD1 LEU 37 -3.916 -7.992 6.170 307 1HD2 LEU 37 1HD2 LEU 37 -5.483 -7.363 7.930 308 2HD2 LEU 37 2HD2 LEU 37 -4.958 -8.907 8.602 309 3HD2 LEU 37 3HD2 LEU 37 -6.680 -8.542 8.468 310 H ASN 38 H ASN 38 -7.253 -6.514 3.146 311 HA ASN 38 HA ASN 38 -9.493 -7.141 1.588 312 1HB ASN 38 2HB ASN 38 -11.331 -6.288 2.829 313 2HB ASN 38 1HB ASN 38 -10.482 -7.367 3.929 314 1HD2 ASN 38 1HD2 ASN 38 -8.316 -5.464 4.400 315 2HD2 ASN 38 2HD2 ASN 38 -8.970 -4.245 5.435 316 H SER 39 H SER 39 -10.838 -4.549 2.003 317 HA SER 39 HA SER 39 -9.030 -2.954 0.436 318 1HB SER 39 2HB SER 39 -11.249 -2.646 -0.226 319 2HB SER 39 1HB SER 39 -11.843 -2.604 1.433 320 HG SER 39 HG SER 39 -11.814 -0.526 0.454 321 H TYR 40 H TYR 40 -7.338 -2.121 1.479 322 HA TYR 40 HA TYR 40 -7.844 -0.699 4.007 323 1HB TYR 40 2HB TYR 40 -6.433 -2.610 4.422 324 2HB TYR 40 1HB TYR 40 -5.364 -2.174 3.095 325 HD1 TYR 40 1HD TYR 40 -6.481 -1.210 6.480 326 HD2 TYR 40 2HD TYR 40 -3.610 -0.596 3.402 327 HE1 TYR 40 1HE TYR 40 -5.088 0.077 8.046 328 HE2 TYR 40 2HE TYR 40 -2.209 0.691 4.959 329 HH TYR 40 HH TYR 40 -2.882 2.119 7.291 330 H THR 41 H THR 41 -7.601 1.414 3.931 331 HA THR 41 HA THR 41 -5.883 2.567 1.830 332 HB THR 41 HB THR 41 -8.051 4.234 2.980 333 HG1 THR 41 1HG THR 41 -8.502 1.838 1.683 334 1HG2 THR 41 1HG2 THR 41 -6.843 5.346 1.347 335 2HG2 THR 41 2HG2 THR 41 -8.208 4.718 0.424 336 3HG2 THR 41 3HG2 THR 41 -6.649 3.899 0.358 337 H ILE 42 H ILE 42 -4.502 4.203 2.372 338 HA ILE 42 HA ILE 42 -3.987 4.553 5.216 339 HB ILE 42 HB ILE 42 -2.434 5.329 2.752 340 1HG1 ILE 42 2HG1 ILE 42 -2.415 2.950 3.530 341 2HG1 ILE 42 1HG1 ILE 42 -0.830 3.712 3.513 342 1HG2 ILE 42 1HG2 ILE 42 -0.801 5.713 4.980 343 2HG2 ILE 42 2HG2 ILE 42 -2.321 6.518 5.368 344 3HG2 ILE 42 3HG2 ILE 42 -1.444 6.950 3.900 345 1HD1 ILE 42 1HD1 ILE 42 -1.079 2.373 5.494 346 2HD1 ILE 42 2HD1 ILE 42 -2.562 3.223 5.924 347 3HD1 ILE 42 3HD1 ILE 42 -1.020 4.078 5.941 348 H LYS 43 H LYS 43 -4.467 6.341 6.340 349 HA LYS 43 HA LYS 43 -5.461 8.673 4.841 350 1HB LYS 43 2HB LYS 43 -6.293 7.459 7.452 351 2HB LYS 43 1HB LYS 43 -6.581 9.167 7.147 352 1HG LYS 43 2HG LYS 43 -7.464 7.742 4.872 353 2HG LYS 43 1HG LYS 43 -8.099 6.920 6.299 354 1HD LYS 43 2HD LYS 43 -9.102 8.953 7.092 355 2HD LYS 43 1HD LYS 43 -8.328 9.888 5.810 356 1HE LYS 43 2HE LYS 43 -9.627 8.082 4.317 357 2HE LYS 43 1HE LYS 43 -10.701 8.121 5.716 358 1HZ LYS 43 1HZ LYS 43 -10.262 10.736 5.253 359 2HZ LYS 43 2HZ LYS 43 -11.598 9.870 4.681 360 3HZ LYS 43 3HZ LYS 43 -10.257 10.114 3.680 361 H GLY 44 H GLY 44 -5.052 10.783 5.758 362 1HA GLY 44 2HA GLY 44 -3.824 11.960 7.613 363 2HA GLY 44 1HA GLY 44 -2.515 10.836 7.275 364 H LEU 45 H LEU 45 -4.341 11.981 4.603 365 HA LEU 45 HA LEU 45 -2.188 13.872 3.928 366 1HB LEU 45 2HB LEU 45 -3.713 12.433 1.786 367 2HB LEU 45 1HB LEU 45 -2.113 13.139 1.730 368 HG LEU 45 HG LEU 45 -1.389 11.255 3.296 369 1HD1 LEU 45 1HD1 LEU 45 -3.108 9.252 2.533 370 2HD1 LEU 45 2HD1 LEU 45 -4.200 10.584 2.917 371 3HD1 LEU 45 3HD1 LEU 45 -3.050 10.012 4.124 372 1HD2 LEU 45 1HD2 LEU 45 -1.085 11.489 0.747 373 2HD2 LEU 45 2HD2 LEU 45 -2.332 10.246 0.643 374 3HD2 LEU 45 3HD2 LEU 45 -0.823 9.912 1.493 375 H LYS 46 H LYS 46 -3.056 15.298 1.933 376 HA LYS 46 HA LYS 46 -5.834 16.088 2.445 377 1HB LYS 46 2HB LYS 46 -5.121 18.482 2.514 378 2HB LYS 46 1HB LYS 46 -4.551 17.534 3.882 379 1HG LYS 46 2HG LYS 46 -2.524 18.320 3.453 380 2HG LYS 46 1HG LYS 46 -2.521 17.321 2.001 381 1HD LYS 46 2HD LYS 46 -1.996 19.473 1.256 382 2HD LYS 46 1HD LYS 46 -3.707 19.277 0.872 383 1HE LYS 46 2HE LYS 46 -3.542 20.313 3.495 384 2HE LYS 46 1HE LYS 46 -2.438 21.255 2.495 385 1HZ LYS 46 1HZ LYS 46 -5.354 20.903 2.190 386 2HZ LYS 46 2HZ LYS 46 -4.396 21.399 0.887 387 3HZ LYS 46 3HZ LYS 46 -4.466 22.340 2.291 388 HA PRO 47 HA PRO 47 -6.221 16.738 -1.892 389 1HB PRO 47 2HB PRO 47 -7.444 19.385 -1.500 390 2HB PRO 47 1HB PRO 47 -8.147 17.914 -2.174 391 1HG PRO 47 2HG PRO 47 -8.866 18.849 0.240 392 2HG PRO 47 1HG PRO 47 -8.784 17.113 -0.108 393 1HD PRO 47 2HD PRO 47 -6.837 18.845 1.362 394 2HD PRO 47 1HD PRO 47 -7.376 17.193 1.728 395 H GLY 48 H GLY 48 -4.319 17.100 -2.923 396 1HA GLY 48 2HA GLY 48 -3.339 18.877 -4.355 397 2HA GLY 48 1HA GLY 48 -3.314 19.878 -2.914 398 H VAL 49 H VAL 49 -2.543 16.850 -1.887 399 HA VAL 49 HA VAL 49 0.334 17.332 -2.312 400 HB VAL 49 HB VAL 49 -0.325 17.777 0.024 401 1HG1 VAL 49 1HG1 VAL 49 -1.194 16.128 1.461 402 2HG1 VAL 49 2HG1 VAL 49 -0.918 14.844 0.284 403 3HG1 VAL 49 3HG1 VAL 49 -2.177 16.044 0.000 404 1HG2 VAL 49 1HG2 VAL 49 1.241 15.297 0.295 405 2HG2 VAL 49 2HG2 VAL 49 1.614 16.940 0.819 406 3HG2 VAL 49 3HG2 VAL 49 1.857 16.473 -0.866 407 H VAL 50 H VAL 50 1.587 15.662 -2.934 408 HA VAL 50 HA VAL 50 0.233 13.079 -3.328 409 HB VAL 50 HB VAL 50 1.597 14.698 -5.205 410 1HG1 VAL 50 1HG1 VAL 50 3.065 12.117 -4.682 411 2HG1 VAL 50 2HG1 VAL 50 3.709 13.742 -4.446 412 3HG1 VAL 50 3HG1 VAL 50 3.311 13.178 -6.069 413 1HG2 VAL 50 1HG2 VAL 50 0.986 11.843 -5.766 414 2HG2 VAL 50 2HG2 VAL 50 0.647 13.284 -6.730 415 3HG2 VAL 50 3HG2 VAL 50 -0.335 12.921 -5.311 416 H TYR 51 H TYR 51 1.163 11.246 -2.605 417 HA TYR 51 HA TYR 51 3.699 11.528 -1.140 418 1HB TYR 51 2HB TYR 51 1.281 9.776 -0.615 419 2HB TYR 51 1HB TYR 51 2.864 9.376 0.043 420 HD1 TYR 51 1HD TYR 51 3.115 9.943 2.245 421 HD2 TYR 51 2HD TYR 51 0.810 12.498 -0.255 422 HE1 TYR 51 1HE TYR 51 2.726 11.443 4.150 423 HE2 TYR 51 2HE TYR 51 0.406 14.004 1.646 424 HH TYR 51 HH TYR 51 0.817 14.421 3.787 425 H GLU 52 H GLU 52 4.794 9.244 -0.983 426 HA GLU 52 HA GLU 52 4.705 8.081 -3.704 427 1HB GLU 52 2HB GLU 52 6.846 9.355 -2.642 428 2HB GLU 52 1HB GLU 52 7.145 7.736 -2.026 429 1HG GLU 52 2HG GLU 52 6.480 7.478 -4.752 430 2HG GLU 52 1HG GLU 52 7.645 8.792 -4.616 431 H GLY 53 H GLY 53 4.233 5.920 -3.783 432 1HA GLY 53 2HA GLY 53 4.230 4.507 -1.189 433 2HA GLY 53 1HA GLY 53 3.035 4.237 -2.445 434 H GLN 54 H GLN 54 5.284 2.674 -0.953 435 HA GLN 54 HA GLN 54 6.122 1.183 -3.338 436 1HB GLN 54 2HB GLN 54 7.958 1.512 -0.977 437 2HB GLN 54 1HB GLN 54 8.349 0.959 -2.599 438 1HG GLN 54 2HG GLN 54 7.498 3.437 -3.164 439 2HG GLN 54 1HG GLN 54 8.111 3.694 -1.530 440 1HE2 GLN 54 1HE2 GLN 54 9.151 1.753 -4.319 441 2HE2 GLN 54 2HE2 GLN 54 10.771 2.350 -4.344 442 H LEU 55 H LEU 55 5.195 -0.770 -3.176 443 HA LEU 55 HA LEU 55 4.747 -1.892 -0.504 444 1HB LEU 55 2HB LEU 55 3.307 -1.997 -3.024 445 2HB LEU 55 1HB LEU 55 3.563 -3.596 -2.356 446 HG LEU 55 HG LEU 55 2.102 -1.291 -1.073 447 1HD1 LEU 55 1HD1 LEU 55 1.192 -3.162 -2.812 448 2HD1 LEU 55 2HD1 LEU 55 0.202 -2.364 -1.589 449 3HD1 LEU 55 3HD1 LEU 55 0.894 -3.956 -1.264 450 1HD2 LEU 55 1HD2 LEU 55 2.775 -2.095 0.897 451 2HD2 LEU 55 2HD2 LEU 55 3.468 -3.542 0.164 452 3HD2 LEU 55 3HD2 LEU 55 1.749 -3.487 0.552 453 H ILE 56 H ILE 56 6.405 -3.063 0.179 454 HA ILE 56 HA ILE 56 7.845 -4.756 -1.726 455 HB ILE 56 HB ILE 56 8.574 -3.848 1.060 456 1HG1 ILE 56 2HG1 ILE 56 10.568 -2.937 -0.394 457 2HG1 ILE 56 1HG1 ILE 56 9.417 -3.086 -1.718 458 1HG2 ILE 56 1HG2 ILE 56 9.539 -6.093 -0.509 459 2HG2 ILE 56 2HG2 ILE 56 9.824 -5.690 1.184 460 3HG2 ILE 56 3HG2 ILE 56 10.828 -4.970 -0.075 461 1HD1 ILE 56 1HD1 ILE 56 8.844 -1.002 -1.161 462 2HD1 ILE 56 2HD1 ILE 56 9.561 -1.130 0.445 463 3HD1 ILE 56 3HD1 ILE 56 7.942 -1.765 0.148 464 H SER 57 H SER 57 7.212 -6.812 -1.850 465 HA SER 57 HA SER 57 5.693 -8.023 0.287 466 1HB SER 57 2HB SER 57 4.921 -9.436 -1.292 467 2HB SER 57 1HB SER 57 5.697 -8.352 -2.446 468 HG SER 57 HG SER 57 7.564 -9.689 -2.297 469 H ILE 58 H ILE 58 6.571 -9.020 1.915 470 HA ILE 58 HA ILE 58 9.283 -10.116 1.654 471 HB ILE 58 HB ILE 58 7.858 -9.294 4.186 472 1HG1 ILE 58 2HG1 ILE 58 10.218 -7.858 3.021 473 2HG1 ILE 58 1HG1 ILE 58 8.599 -7.496 2.429 474 1HG2 ILE 58 1HG2 ILE 58 10.315 -10.752 3.642 475 2HG2 ILE 58 2HG2 ILE 58 9.403 -10.589 5.143 476 3HG2 ILE 58 3HG2 ILE 58 10.564 -9.346 4.676 477 1HD1 ILE 58 1HD1 ILE 58 8.925 -5.911 4.073 478 2HD1 ILE 58 2HD1 ILE 58 9.765 -7.039 5.138 479 3HD1 ILE 58 3HD1 ILE 58 8.018 -7.164 4.921 480 H GLN 59 H GLN 59 9.432 -12.228 1.572 481 HA GLN 59 HA GLN 59 7.255 -13.915 2.490 482 1HB GLN 59 2HB GLN 59 9.143 -13.990 0.379 483 2HB GLN 59 1HB GLN 59 9.475 -15.361 1.418 484 1HG GLN 59 2HG GLN 59 6.899 -14.692 0.034 485 2HG GLN 59 1HG GLN 59 7.967 -16.056 -0.290 486 1HE2 GLN 59 1HE2 GLN 59 7.864 -17.855 0.991 487 2HE2 GLN 59 2HE2 GLN 59 6.648 -18.099 2.192 488 H GLN 60 H GLN 60 8.371 -16.186 3.284 489 HA GLN 60 HA GLN 60 9.231 -15.668 5.905 490 1HB GLN 60 2HB GLN 60 9.762 -18.268 4.489 491 2HB GLN 60 1HB GLN 60 9.392 -17.999 6.187 492 1HG GLN 60 2HG GLN 60 7.169 -17.009 4.934 493 2HG GLN 60 1HG GLN 60 7.611 -18.378 3.915 494 1HE2 GLN 60 1HE2 GLN 60 7.049 -20.349 4.553 495 2HE2 GLN 60 2HE2 GLN 60 6.425 -20.759 6.112 496 H TYR 61 H TYR 61 10.978 -15.722 2.969 497 HA TYR 61 HA TYR 61 13.527 -16.089 4.380 498 1HB TYR 61 2HB TYR 61 14.465 -16.828 2.419 499 2HB TYR 61 1HB TYR 61 12.796 -17.313 2.147 500 HD1 TYR 61 1HD TYR 61 11.305 -15.534 0.903 501 HD2 TYR 61 2HD TYR 61 15.558 -15.607 0.786 502 HE1 TYR 61 1HE TYR 61 11.265 -14.218 -1.173 503 HE2 TYR 61 2HE TYR 61 15.530 -14.290 -1.290 504 HH TYR 61 HH TYR 61 13.517 -14.017 -3.271 505 H GLY 62 H GLY 62 11.509 -13.637 3.438 506 1HA GLY 62 2HA GLY 62 12.365 -11.398 4.122 507 2HA GLY 62 1HA GLY 62 13.775 -11.762 3.139 508 H HIS 63 H HIS 63 12.785 -9.488 2.480 509 HA HIS 63 HA HIS 63 10.562 -9.195 0.893 510 1HB HIS 63 2HB HIS 63 11.614 -7.252 -0.048 511 2HB HIS 63 1HB HIS 63 12.123 -7.376 1.632 512 HD2 HIS 63 2HD HIS 63 13.880 -5.848 -0.775 513 HE1 HIS 63 1HE HIS 63 16.554 -9.037 -0.005 514 HE2 HIS 63 2HE HIS 63 16.336 -6.674 -0.899 515 H GLN 64 H GLN 64 10.310 -9.061 -1.451 516 HA GLN 64 HA GLN 64 12.218 -10.295 -3.169 517 1HB GLN 64 2HB GLN 64 10.735 -12.226 -3.805 518 2HB GLN 64 1HB GLN 64 11.491 -12.347 -2.223 519 1HG GLN 64 2HG GLN 64 9.525 -12.144 -1.108 520 2HG GLN 64 1HG GLN 64 8.794 -11.136 -2.354 521 1HE2 GLN 64 1HE2 GLN 64 9.734 -14.426 -1.552 522 2HE2 GLN 64 2HE2 GLN 64 8.576 -15.203 -2.571 523 H GLU 65 H GLU 65 9.613 -8.347 -2.631 524 HA GLU 65 HA GLU 65 9.218 -7.967 -5.502 525 1HB GLU 65 2HB GLU 65 7.380 -9.414 -4.066 526 2HB GLU 65 1HB GLU 65 6.714 -7.790 -3.983 527 1HG GLU 65 2HG GLU 65 7.326 -7.944 -6.612 528 2HG GLU 65 1HG GLU 65 6.932 -9.627 -6.259 529 H VAL 66 H VAL 66 9.058 -5.861 -6.059 530 HA VAL 66 HA VAL 66 8.366 -3.912 -3.976 531 HB VAL 66 HB VAL 66 10.723 -3.626 -5.843 532 1HG1 VAL 66 1HG1 VAL 66 10.114 -1.445 -5.627 533 2HG1 VAL 66 2HG1 VAL 66 11.018 -1.611 -4.121 534 3HG1 VAL 66 3HG1 VAL 66 9.259 -1.720 -4.109 535 1HG2 VAL 66 1HG2 VAL 66 11.835 -4.736 -4.262 536 2HG2 VAL 66 2HG2 VAL 66 10.451 -4.704 -3.171 537 3HG2 VAL 66 3HG2 VAL 66 11.569 -3.342 -3.216 538 H THR 67 H THR 67 7.031 -2.328 -4.632 539 HA THR 67 HA THR 67 6.699 -1.849 -7.509 540 HB THR 67 HB THR 67 4.315 -2.112 -5.680 541 HG1 THR 67 1HG THR 67 4.845 -4.186 -5.759 542 1HG2 THR 67 1HG2 THR 67 4.182 -0.802 -7.846 543 2HG2 THR 67 2HG2 THR 67 3.029 -2.125 -7.673 544 3HG2 THR 67 3HG2 THR 67 4.462 -2.330 -8.682 545 H ARG 68 H ARG 68 6.343 0.247 -8.053 546 HA ARG 68 HA ARG 68 6.174 2.180 -5.837 547 1HB ARG 68 2HB ARG 68 7.124 2.794 -8.630 548 2HB ARG 68 1HB ARG 68 7.383 3.728 -7.162 549 1HG ARG 68 2HG ARG 68 9.167 2.515 -6.551 550 2HG ARG 68 1HG ARG 68 8.451 0.998 -7.089 551 1HD ARG 68 2HD ARG 68 9.006 2.666 -9.351 552 2HD ARG 68 1HD ARG 68 10.453 2.510 -8.356 553 HE ARG 68 HE ARG 68 8.948 0.212 -9.433 554 1HH1 ARG 68 1HH1 ARG 68 11.933 1.770 -8.526 555 2HH1 ARG 68 2HH1 ARG 68 12.924 0.432 -9.003 556 1HH2 ARG 68 1HH2 ARG 68 10.247 -1.553 -10.059 557 2HH2 ARG 68 2HH2 ARG 68 11.966 -1.456 -9.874 558 H PHE 69 H PHE 69 4.620 3.759 -5.835 559 HA PHE 69 HA PHE 69 2.906 4.098 -8.143 560 1HB PHE 69 2HB PHE 69 0.986 3.939 -6.200 561 2HB PHE 69 1HB PHE 69 1.328 2.704 -7.404 562 HD1 PHE 69 1HD PHE 69 1.464 3.608 -3.912 563 HD2 PHE 69 2HD PHE 69 2.725 0.753 -6.803 564 HE1 PHE 69 1HE PHE 69 1.964 2.011 -2.110 565 HE2 PHE 69 2HE PHE 69 3.232 -0.850 -5.005 566 HZ PHE 69 HZ PHE 69 2.849 -0.220 -2.655 567 H ASP 70 H ASP 70 1.350 5.810 -7.955 568 HA ASP 70 HA ASP 70 2.538 8.039 -6.493 569 1HB ASP 70 2HB ASP 70 0.194 8.798 -7.980 570 2HB ASP 70 1HB ASP 70 1.869 9.253 -8.272 571 H PHE 71 H PHE 71 1.488 9.118 -4.921 572 HA PHE 71 HA PHE 71 -0.870 7.778 -3.818 573 1HB PHE 71 2HB PHE 71 1.648 7.867 -2.998 574 2HB PHE 71 1HB PHE 71 1.059 9.337 -2.210 575 HD1 PHE 71 1HD PHE 71 -0.944 9.108 -0.681 576 HD2 PHE 71 2HD PHE 71 1.337 5.844 -2.116 577 HE1 PHE 71 1HE PHE 71 -1.731 7.750 1.217 578 HE2 PHE 71 2HE PHE 71 0.561 4.453 -0.228 579 HZ PHE 71 HZ PHE 71 -0.964 5.432 1.440 580 H THR 72 H THR 72 -2.554 8.921 -3.108 581 HA THR 72 HA THR 72 -2.474 11.761 -2.625 582 HB THR 72 HB THR 72 -4.517 12.153 -4.070 583 HG1 THR 72 1HG THR 72 -3.885 9.532 -4.773 584 1HG2 THR 72 1HG2 THR 72 -2.352 11.465 -5.960 585 2HG2 THR 72 2HG2 THR 72 -1.909 12.522 -4.618 586 3HG2 THR 72 3HG2 THR 72 -3.207 12.989 -5.719 587 H THR 73 H THR 73 -4.736 12.479 -1.806 588 HA THR 73 HA THR 73 -5.913 10.213 -0.327 589 HB THR 73 HB THR 73 -4.940 11.570 1.313 590 HG1 THR 73 1HG THR 73 -7.518 12.718 1.278 591 1HG2 THR 73 1HG2 THR 73 -5.440 14.063 1.387 592 2HG2 THR 73 2HG2 THR 73 -6.006 13.893 -0.273 593 3HG2 THR 73 3HG2 THR 73 -4.331 13.520 0.128 594 H THR 74 H THR 74 -6.859 13.543 -1.193 595 HA THR 74 HA THR 74 -9.551 12.535 -1.790 596 HB THR 74 HB THR 74 -10.438 14.412 -0.912 597 HG1 THR 74 1HG THR 74 -9.752 15.789 -2.553 598 1HG2 THR 74 1HG2 THR 74 -9.367 15.092 1.005 599 2HG2 THR 74 2HG2 THR 74 -7.798 15.239 0.213 600 3HG2 THR 74 3HG2 THR 74 -8.431 13.646 0.631 601 H SER 75 H SER 75 -6.838 14.336 -3.052 602 HA SER 75 HA SER 75 -8.180 15.166 -5.454 603 1HB SER 75 2HB SER 75 -6.120 16.252 -4.265 604 2HB SER 75 1HB SER 75 -5.190 15.057 -5.169 605 HG SER 75 HG SER 75 -7.075 16.744 -6.429 606 H THR 76 H THR 76 -8.975 13.278 -6.388 607 HA THR 76 HA THR 76 -7.659 10.889 -6.805 608 HB THR 76 HB THR 76 -9.392 11.885 -9.014 609 HG1 THR 76 1HG THR 76 -10.462 11.204 -6.466 610 1HG2 THR 76 1HG2 THR 76 -9.842 9.703 -9.298 611 2HG2 THR 76 2HG2 THR 76 -10.064 9.427 -7.570 612 3HG2 THR 76 3HG2 THR 76 -8.441 9.431 -8.262 613 H SER 77 H SER 77 -5.639 10.755 -7.566 614 HA SER 77 HA SER 77 -5.131 11.404 -10.314 615 1HB SER 77 2HB SER 77 -4.672 13.511 -8.736 616 2HB SER 77 1HB SER 77 -3.141 12.669 -8.492 617 HG SER 77 HG SER 77 -2.572 13.123 -10.474 618 H THR 78 H THR 78 -4.491 9.359 -10.746 619 HA THR 78 HA THR 78 -1.992 8.471 -9.513 620 HB THR 78 HB THR 78 -3.657 6.166 -9.935 621 HG1 THR 78 1HG THR 78 -5.329 7.757 -9.414 622 1HG2 THR 78 1HG2 THR 78 -2.486 7.347 -7.411 623 2HG2 THR 78 2HG2 THR 78 -1.640 6.272 -8.525 624 3HG2 THR 78 3HG2 THR 78 -3.040 5.686 -7.628 625 HA PRO 79 HA PRO 79 -2.158 7.868 -14.135 626 1HB PRO 79 2HB PRO 79 0.268 9.450 -14.272 627 2HB PRO 79 1HB PRO 79 -1.305 9.775 -15.002 628 1HG PRO 79 2HG PRO 79 -0.256 11.263 -12.972 629 2HG PRO 79 1HG PRO 79 -1.997 11.068 -13.244 630 1HD PRO 79 2HD PRO 79 -0.217 9.676 -11.276 631 2HD PRO 79 1HD PRO 79 -1.865 10.306 -11.058 632 H GLY 80 H GLY 80 0.152 7.555 -15.495 633 1HA GLY 80 2HA GLY 80 1.895 6.110 -15.874 634 2HA GLY 80 1HA GLY 80 2.239 6.216 -14.154 635 H SER 81 H SER 81 0.881 4.332 -16.682 636 HA SER 81 HA SER 81 0.047 2.218 -16.787 637 1HB SER 81 2HB SER 81 1.707 2.028 -14.268 638 2HB SER 81 1HB SER 81 0.909 0.633 -14.994 639 HG SER 81 HG SER 81 2.363 0.600 -16.521 640 H ARG 82 H ARG 82 -0.571 0.559 -14.383 641 HA ARG 82 HA ARG 82 -2.381 0.055 -13.104 642 1HB ARG 82 2HB ARG 82 -1.730 2.836 -12.511 643 2HB ARG 82 1HB ARG 82 -3.425 2.469 -12.224 644 1HG ARG 82 2HG ARG 82 -2.910 1.502 -10.307 645 2HG ARG 82 1HG ARG 82 -1.854 0.360 -11.142 646 1HD ARG 82 2HD ARG 82 -0.049 2.063 -11.073 647 2HD ARG 82 1HD ARG 82 -1.109 3.097 -10.117 648 HE ARG 82 HE ARG 82 -0.642 1.815 -8.284 649 1HH1 ARG 82 1HH1 ARG 82 0.295 0.068 -11.150 650 2HH1 ARG 82 2HH1 ARG 82 1.057 -1.217 -10.273 651 1HH2 ARG 82 1HH2 ARG 82 0.362 0.130 -7.123 652 2HH2 ARG 82 2HH2 ARG 82 1.093 -1.182 -7.984 653 H SER 83 H SER 83 -4.693 1.954 -12.753 654 HA SER 83 HA SER 83 -6.349 0.951 -14.774 655 1HB SER 83 2HB SER 83 -6.926 3.500 -13.269 656 2HB SER 83 1HB SER 83 -8.068 2.289 -13.852 657 HG SER 83 HG SER 83 -6.192 1.297 -12.114 658 H HIS 84 H HIS 84 -7.748 2.536 -16.149 659 HA HIS 84 HA HIS 84 -5.864 4.161 -17.712 660 1HB HIS 84 2HB HIS 84 -7.523 3.922 -19.554 661 2HB HIS 84 1HB HIS 84 -6.878 2.383 -18.995 662 HD2 HIS 84 2HD HIS 84 -10.214 4.406 -18.934 663 HE1 HIS 84 1HE HIS 84 -10.961 0.420 -17.727 664 HE2 HIS 84 2HE HIS 84 -11.998 2.694 -18.149 665 H HIS 85 H HIS 85 -6.376 6.242 -18.371 666 HA HIS 85 HA HIS 85 -8.869 7.474 -17.619 667 1HB HIS 85 2HB HIS 85 -6.525 7.693 -15.898 668 2HB HIS 85 1HB HIS 85 -7.103 9.266 -16.439 669 HD2 HIS 85 2HD HIS 85 -7.624 7.092 -13.553 670 HE1 HIS 85 1HE HIS 85 -11.391 8.908 -14.205 671 HE2 HIS 85 2HE HIS 85 -10.032 7.438 -12.651 672 H HIS 86 H HIS 86 -5.551 8.682 -18.089 673 HA HIS 86 HA HIS 86 -6.537 10.379 -20.262 674 1HB HIS 86 2HB HIS 86 -4.693 10.787 -18.162 675 2HB HIS 86 1HB HIS 86 -3.750 10.783 -19.649 676 HD2 HIS 86 2HD HIS 86 -7.334 12.318 -19.622 677 HE1 HIS 86 1HE HIS 86 -4.481 15.424 -19.977 678 HE2 HIS 86 2HE HIS 86 -6.953 14.874 -19.862 679 H HIS 87 H HIS 87 -5.718 7.378 -20.215 680 HA HIS 87 HA HIS 87 -3.705 7.444 -22.345 681 1HB HIS 87 2HB HIS 87 -4.797 5.023 -20.905 682 2HB HIS 87 1HB HIS 87 -3.363 5.101 -21.923 683 HD2 HIS 87 2HD HIS 87 -4.405 5.555 -18.281 684 HE1 HIS 87 1HE HIS 87 -0.390 6.840 -18.647 685 HE2 HIS 87 2HE HIS 87 -2.196 6.090 -17.031 686 H HIS 88 H HIS 88 -4.253 5.119 -23.674 687 HA HIS 88 HA HIS 88 -7.001 5.333 -24.657 688 1HB HIS 88 2HB HIS 88 -4.929 6.573 -25.992 689 2HB HIS 88 1HB HIS 88 -5.061 5.029 -26.828 690 HD2 HIS 88 2HD HIS 88 -7.978 4.534 -27.477 691 HE1 HIS 88 1HE HIS 88 -8.391 8.658 -28.325 692 HE2 HIS 88 2HE HIS 88 -9.515 6.388 -28.441 693 H HIS 89 H HIS 89 -7.886 3.395 -25.017 694 HA HIS 89 HA HIS 89 -6.096 1.060 -25.098 695 1HB HIS 89 2HB HIS 89 -8.358 1.621 -23.497 696 2HB HIS 89 1HB HIS 89 -8.838 0.346 -24.613 697 HD2 HIS 89 2HD HIS 89 -6.135 0.957 -21.831 698 HE1 HIS 89 1HE HIS 89 -6.626 -3.196 -22.474 699 HE2 HIS 89 2HE HIS 89 -5.627 -1.430 -20.953 Start of MODEL 34 1 1H MET 1 1HT MET 1 -13.142 -12.144 21.166 2 2H MET 1 2HT MET 1 -12.343 -11.469 22.495 3 3H MET 1 3HT MET 1 -11.496 -12.453 21.411 4 HA MET 1 HA MET 1 -12.539 -9.725 20.978 5 1HB MET 1 2HB MET 1 -10.095 -10.730 21.814 6 2HB MET 1 1HB MET 1 -9.843 -10.425 20.102 7 1HG MET 1 2HG MET 1 -10.579 -8.117 20.402 8 2HG MET 1 1HG MET 1 -10.831 -8.424 22.119 9 1HE MET 1 1HE MET 1 -8.744 -6.288 20.284 10 2HE MET 1 2HE MET 1 -7.589 -6.080 21.601 11 3HE MET 1 3HE MET 1 -9.320 -6.059 21.935 12 H ARG 2 H ARG 2 -13.536 -9.427 19.101 13 HA ARG 2 HA ARG 2 -12.927 -11.209 16.852 14 1HB ARG 2 2HB ARG 2 -15.328 -10.057 17.864 15 2HB ARG 2 1HB ARG 2 -15.062 -9.417 16.249 16 1HG ARG 2 2HG ARG 2 -16.401 -11.364 16.040 17 2HG ARG 2 1HG ARG 2 -14.788 -11.767 15.449 18 1HD ARG 2 2HD ARG 2 -14.371 -12.595 17.863 19 2HD ARG 2 1HD ARG 2 -16.128 -12.590 17.999 20 HE ARG 2 HE ARG 2 -15.195 -13.989 15.682 21 1HH1 ARG 2 1HH1 ARG 2 -15.796 -14.257 19.105 22 2HH1 ARG 2 2HH1 ARG 2 -16.000 -15.977 19.063 23 1HH2 ARG 2 1HH2 ARG 2 -15.459 -16.251 15.620 24 2HH2 ARG 2 2HH2 ARG 2 -15.808 -17.110 17.084 25 H GLY 3 H GLY 3 -11.523 -10.514 15.390 26 1HA GLY 3 2HA GLY 3 -11.660 -7.744 14.474 27 2HA GLY 3 1HA GLY 3 -10.128 -8.279 15.150 28 H SER 4 H SER 4 -8.714 -8.695 13.599 29 HA SER 4 HA SER 4 -9.608 -10.247 11.267 30 1HB SER 4 2HB SER 4 -9.219 -7.669 10.916 31 2HB SER 4 1HB SER 4 -7.516 -8.129 10.922 32 HG SER 4 HG SER 4 -8.565 -8.127 8.818 33 H ASN 5 H ASN 5 -8.639 -12.152 11.618 34 HA ASN 5 HA ASN 5 -6.134 -12.447 12.926 35 1HB ASN 5 2HB ASN 5 -6.422 -14.748 12.662 36 2HB ASN 5 1HB ASN 5 -8.078 -14.151 12.686 37 1HD2 ASN 5 1HD2 ASN 5 -8.926 -13.562 10.446 38 2HD2 ASN 5 2HD2 ASN 5 -8.593 -14.702 9.191 39 H ALA 6 H ALA 6 -7.051 -11.836 9.671 40 HA ALA 6 HA ALA 6 -5.881 -11.567 7.738 41 1HB ALA 6 1HB ALA 6 -4.474 -9.972 8.518 42 2HB ALA 6 2HB ALA 6 -3.276 -11.236 8.235 43 3HB ALA 6 3HB ALA 6 -3.908 -10.968 9.859 44 HA PRO 7 HA PRO 7 -4.938 -16.044 7.442 45 1HB PRO 7 2HB PRO 7 -5.422 -16.047 4.711 46 2HB PRO 7 1HB PRO 7 -6.623 -16.395 5.958 47 1HG PRO 7 2HG PRO 7 -6.117 -13.857 4.468 48 2HG PRO 7 1HG PRO 7 -7.657 -14.584 4.963 49 1HD PRO 7 2HD PRO 7 -6.595 -12.511 6.292 50 2HD PRO 7 1HD PRO 7 -7.469 -13.805 7.139 51 H GLN 8 H GLN 8 -2.974 -16.845 7.133 52 HA GLN 8 HA GLN 8 -1.285 -15.957 4.962 53 1HB GLN 8 2HB GLN 8 0.629 -15.574 6.675 54 2HB GLN 8 1HB GLN 8 -0.527 -14.281 6.386 55 1HG GLN 8 2HG GLN 8 -1.790 -15.290 8.406 56 2HG GLN 8 1HG GLN 8 -0.250 -16.071 8.761 57 1HE2 GLN 8 1HE2 GLN 8 1.661 -14.500 8.647 58 2HE2 GLN 8 2HE2 GLN 8 1.433 -12.980 9.438 59 HA PRO 9 HA PRO 9 -0.836 -20.398 6.368 60 1HB PRO 9 2HB PRO 9 -1.510 -21.092 3.616 61 2HB PRO 9 1HB PRO 9 -2.300 -21.591 5.113 62 1HG PRO 9 2HG PRO 9 -3.463 -19.910 3.335 63 2HG PRO 9 1HG PRO 9 -3.771 -19.829 5.080 64 1HD PRO 9 2HD PRO 9 -1.967 -18.133 3.391 65 2HD PRO 9 1HD PRO 9 -3.062 -17.650 4.707 66 H SER 10 H SER 10 -0.283 -19.910 2.902 67 HA SER 10 HA SER 10 2.605 -20.224 3.351 68 1HB SER 10 2HB SER 10 1.313 -21.508 0.969 69 2HB SER 10 1HB SER 10 2.829 -21.917 1.772 70 HG SER 10 HG SER 10 0.338 -22.225 3.065 71 H HIS 11 H HIS 11 0.249 -18.282 2.241 72 HA HIS 11 HA HIS 11 1.239 -17.454 -0.284 73 1HB HIS 11 2HB HIS 11 -0.624 -16.207 1.726 74 2HB HIS 11 1HB HIS 11 -0.139 -15.339 0.272 75 HD2 HIS 11 2HD HIS 11 -0.653 -17.123 -2.126 76 HE1 HIS 11 1HE HIS 11 -4.212 -18.438 -0.254 77 HE2 HIS 11 2HE HIS 11 -2.867 -18.445 -2.403 78 H ILE 12 H ILE 12 0.933 -14.811 1.905 79 HA ILE 12 HA ILE 12 3.804 -14.282 1.604 80 HB ILE 12 HB ILE 12 1.789 -12.663 0.878 81 1HG1 ILE 12 2HG1 ILE 12 3.623 -10.785 1.574 82 2HG1 ILE 12 1HG1 ILE 12 4.595 -12.252 1.692 83 1HG2 ILE 12 1HG2 ILE 12 2.411 -11.888 3.721 84 2HG2 ILE 12 2HG2 ILE 12 0.842 -12.342 3.055 85 3HG2 ILE 12 3HG2 ILE 12 1.610 -10.835 2.554 86 1HD1 ILE 12 1HD1 ILE 12 4.951 -11.766 -0.489 87 2HD1 ILE 12 2HD1 ILE 12 3.389 -10.968 -0.685 88 3HD1 ILE 12 3HD1 ILE 12 3.485 -12.728 -0.666 89 H SER 13 H SER 13 5.043 -13.572 3.357 90 HA SER 13 HA SER 13 4.234 -14.624 5.906 91 1HB SER 13 2HB SER 13 6.697 -13.846 4.666 92 2HB SER 13 1HB SER 13 6.538 -12.963 6.183 93 HG SER 13 HG SER 13 7.544 -15.041 6.406 94 H LYS 14 H LYS 14 4.772 -11.469 4.453 95 HA LYS 14 HA LYS 14 2.743 -10.175 5.893 96 1HB LYS 14 2HB LYS 14 4.322 -8.590 7.172 97 2HB LYS 14 1HB LYS 14 4.014 -10.177 7.861 98 1HG LYS 14 2HG LYS 14 6.219 -10.641 6.315 99 2HG LYS 14 1HG LYS 14 6.500 -8.998 6.895 100 1HD LYS 14 2HD LYS 14 5.538 -10.885 8.934 101 2HD LYS 14 1HD LYS 14 7.134 -11.252 8.275 102 1HE LYS 14 2HE LYS 14 7.168 -8.507 8.707 103 2HE LYS 14 1HE LYS 14 6.319 -9.162 10.107 104 1HZ LYS 14 1HZ LYS 14 8.189 -10.041 10.904 105 2HZ LYS 14 2HZ LYS 14 9.009 -9.049 9.807 106 3HZ LYS 14 3HZ LYS 14 8.670 -10.656 9.402 107 H TYR 15 H TYR 15 2.347 -8.099 5.069 108 HA TYR 15 HA TYR 15 4.011 -7.385 2.751 109 1HB TYR 15 2HB TYR 15 1.156 -7.131 3.422 110 2HB TYR 15 1HB TYR 15 1.844 -5.712 2.652 111 HD1 TYR 15 1HD TYR 15 0.657 -9.087 2.185 112 HD2 TYR 15 2HD TYR 15 2.883 -5.940 0.386 113 HE1 TYR 15 1HE TYR 15 0.364 -10.145 -0.016 114 HE2 TYR 15 2HE TYR 15 2.603 -6.985 -1.819 115 HH TYR 15 HH TYR 15 1.964 -9.901 -2.405 116 H ILE 16 H ILE 16 4.727 -5.212 2.461 117 HA ILE 16 HA ILE 16 4.622 -3.563 4.893 118 HB ILE 16 HB ILE 16 6.987 -4.345 3.255 119 1HG1 ILE 16 2HG1 ILE 16 6.469 -5.225 5.564 120 2HG1 ILE 16 1HG1 ILE 16 8.060 -4.490 5.391 121 1HG2 ILE 16 1HG2 ILE 16 8.014 -2.190 4.507 122 2HG2 ILE 16 2HG2 ILE 16 6.401 -1.584 4.125 123 3HG2 ILE 16 3HG2 ILE 16 7.450 -2.173 2.836 124 1HD1 ILE 16 1HD1 ILE 16 7.534 -3.379 7.249 125 2HD1 ILE 16 2HD1 ILE 16 5.815 -3.729 7.081 126 3HD1 ILE 16 3HD1 ILE 16 6.528 -2.375 6.204 127 H LEU 17 H LEU 17 3.765 -1.648 4.581 128 HA LEU 17 HA LEU 17 3.719 -0.564 1.847 129 1HB LEU 17 2HB LEU 17 1.569 -1.101 3.322 130 2HB LEU 17 1HB LEU 17 1.929 0.485 3.976 131 HG LEU 17 HG LEU 17 2.009 0.583 1.103 132 1HD1 LEU 17 1HD1 LEU 17 0.295 -1.376 1.830 133 2HD1 LEU 17 2HD1 LEU 17 0.084 -0.353 0.408 134 3HD1 LEU 17 3HD1 LEU 17 -0.766 0.030 1.905 135 1HD2 LEU 17 1HD2 LEU 17 1.563 2.623 1.943 136 2HD2 LEU 17 2HD2 LEU 17 0.764 1.976 3.377 137 3HD2 LEU 17 3HD2 LEU 17 -0.113 2.084 1.851 138 H ARG 18 H ARG 18 5.188 0.961 1.564 139 HA ARG 18 HA ARG 18 5.849 2.702 3.839 140 1HB ARG 18 2HB ARG 18 7.786 2.840 1.709 141 2HB ARG 18 1HB ARG 18 8.019 2.404 3.396 142 1HG ARG 18 2HG ARG 18 6.892 0.139 2.452 143 2HG ARG 18 1HG ARG 18 7.759 0.699 1.021 144 1HD ARG 18 2HD ARG 18 9.138 0.656 3.670 145 2HD ARG 18 1HD ARG 18 8.940 -0.846 2.765 146 HE ARG 18 HE ARG 18 10.012 1.159 1.088 147 1HH1 ARG 18 1HH1 ARG 18 10.880 -0.929 3.740 148 2HH1 ARG 18 2HH1 ARG 18 12.563 -0.963 3.333 149 1HH2 ARG 18 1HH2 ARG 18 12.230 1.120 0.544 150 2HH2 ARG 18 2HH2 ARG 18 13.330 0.202 1.517 151 H TRP 19 H TRP 19 5.456 4.814 3.667 152 HA TRP 19 HA TRP 19 5.174 5.967 1.004 153 1HB TRP 19 2HB TRP 19 3.021 6.796 1.282 154 2HB TRP 19 1HB TRP 19 2.913 5.188 1.984 155 HD1 TRP 19 HD TRP 19 2.795 8.883 2.925 156 HE1 TRP 19 1HE TRP 19 1.886 9.096 5.325 157 HE3 TRP 19 3HE TRP 19 2.773 3.937 4.231 158 HZ2 TRP 19 2HZ TRP 19 1.248 7.394 7.484 159 HZ3 TRP 19 3HZ TRP 19 1.997 3.316 6.482 160 HH2 TRP 19 HH TRP 19 1.251 5.010 8.074 161 H ARG 20 H ARG 20 5.452 8.175 0.855 162 HA ARG 20 HA ARG 20 6.001 9.773 3.180 163 1HB ARG 20 2HB ARG 20 8.174 9.190 3.318 164 2HB ARG 20 1HB ARG 20 8.170 8.447 1.727 165 1HG ARG 20 2HG ARG 20 8.104 11.394 1.767 166 2HG ARG 20 1HG ARG 20 9.585 10.639 2.357 167 1HD ARG 20 2HD ARG 20 8.852 9.253 0.020 168 2HD ARG 20 1HD ARG 20 8.669 10.970 -0.337 169 HE ARG 20 HE ARG 20 11.166 9.842 0.750 170 1HH1 ARG 20 1HH1 ARG 20 9.444 11.838 -1.528 171 2HH1 ARG 20 2HH1 ARG 20 10.882 12.462 -2.266 172 1HH2 ARG 20 1HH2 ARG 20 13.065 10.655 -0.215 173 2HH2 ARG 20 2HH2 ARG 20 12.941 11.788 -1.520 174 HA PRO 21 HA PRO 21 4.572 12.982 0.522 175 1HB PRO 21 2HB PRO 21 6.642 14.706 1.781 176 2HB PRO 21 1HB PRO 21 4.896 14.948 1.660 177 1HG PRO 21 2HG PRO 21 5.990 14.231 3.971 178 2HG PRO 21 1HG PRO 21 4.445 13.535 3.445 179 1HD PRO 21 2HD PRO 21 7.178 12.325 3.384 180 2HD PRO 21 1HD PRO 21 5.625 11.578 3.802 181 H LYS 22 H LYS 22 5.084 12.869 -1.562 182 HA LYS 22 HA LYS 22 7.785 12.764 -2.515 183 1HB LYS 22 2HB LYS 22 5.071 12.664 -3.714 184 2HB LYS 22 1HB LYS 22 6.373 13.212 -4.759 185 1HG LYS 22 2HG LYS 22 7.592 11.160 -4.380 186 2HG LYS 22 1HG LYS 22 6.364 10.617 -3.236 187 1HD LYS 22 2HD LYS 22 5.681 9.518 -5.130 188 2HD LYS 22 1HD LYS 22 4.752 11.011 -5.275 189 1HE LYS 22 2HE LYS 22 6.558 11.923 -6.718 190 2HE LYS 22 1HE LYS 22 7.351 10.349 -6.653 191 1HZ LYS 22 1HZ LYS 22 6.008 10.628 -8.659 192 2HZ LYS 22 2HZ LYS 22 4.620 10.839 -7.715 193 3HZ LYS 22 3HZ LYS 22 5.434 9.357 -7.702 194 H ASN 23 H ASN 23 5.454 15.258 -1.958 195 HA ASN 23 HA ASN 23 6.810 17.197 -3.631 196 1HB ASN 23 2HB ASN 23 4.363 17.256 -3.426 197 2HB ASN 23 1HB ASN 23 4.511 17.541 -1.694 198 1HD2 ASN 23 1HD2 ASN 23 6.003 18.884 -4.627 199 2HD2 ASN 23 2HD2 ASN 23 5.707 20.537 -4.221 200 H SER 24 H SER 24 6.528 16.411 -0.212 201 HA SER 24 HA SER 24 8.395 18.599 0.413 202 1HB SER 24 2HB SER 24 6.014 17.933 1.634 203 2HB SER 24 1HB SER 24 7.213 17.187 2.692 204 HG SER 24 HG SER 24 7.080 19.216 3.437 205 H VAL 25 H VAL 25 9.578 17.862 2.656 206 HA VAL 25 HA VAL 25 10.912 15.310 2.022 207 HB VAL 25 HB VAL 25 12.439 17.108 1.547 208 1HG1 VAL 25 1HG1 VAL 25 12.922 18.902 2.938 209 2HG1 VAL 25 2HG1 VAL 25 12.295 18.088 4.372 210 3HG1 VAL 25 3HG1 VAL 25 11.183 18.698 3.147 211 1HG2 VAL 25 1HG2 VAL 25 13.332 15.086 2.651 212 2HG2 VAL 25 2HG2 VAL 25 13.167 15.893 4.211 213 3HG2 VAL 25 3HG2 VAL 25 14.281 16.530 3.002 214 H GLY 26 H GLY 26 11.055 13.837 3.606 215 1HA GLY 26 2HA GLY 26 11.169 14.448 6.371 216 2HA GLY 26 1HA GLY 26 9.529 14.000 5.926 217 H ARG 27 H ARG 27 9.985 12.253 7.508 218 HA ARG 27 HA ARG 27 11.729 10.132 6.534 219 1HB ARG 27 2HB ARG 27 10.378 10.758 9.104 220 2HB ARG 27 1HB ARG 27 10.639 9.058 8.736 221 1HG ARG 27 2HG ARG 27 13.011 10.639 8.239 222 2HG ARG 27 1HG ARG 27 12.443 10.796 9.902 223 1HD ARG 27 2HD ARG 27 14.052 8.942 9.596 224 2HD ARG 27 1HD ARG 27 12.483 8.408 10.195 225 HE ARG 27 HE ARG 27 12.076 7.361 8.152 226 1HH1 ARG 27 1HH1 ARG 27 15.112 9.073 8.125 227 2HH1 ARG 27 2HH1 ARG 27 15.687 8.290 6.691 228 1HH2 ARG 27 1HH2 ARG 27 12.829 6.325 6.265 229 2HH2 ARG 27 2HH2 ARG 27 14.391 6.730 5.635 230 H TRP 28 H TRP 28 11.010 8.021 6.097 231 HA TRP 28 HA TRP 28 8.484 7.889 4.765 232 1HB TRP 28 2HB TRP 28 10.653 5.869 5.315 233 2HB TRP 28 1HB TRP 28 9.152 5.425 4.512 234 HD1 TRP 28 HD TRP 28 12.243 7.673 3.987 235 HE1 TRP 28 1HE TRP 28 12.535 8.055 1.458 236 HE3 TRP 28 3HE TRP 28 7.991 5.376 2.321 237 HZ2 TRP 28 2HZ TRP 28 11.147 7.462 -0.926 238 HZ3 TRP 28 3HZ TRP 28 7.546 5.327 -0.098 239 HH2 TRP 28 HH TRP 28 9.093 6.350 -1.686 240 H LYS 29 H LYS 29 7.187 5.717 5.166 241 HA LYS 29 HA LYS 29 6.813 5.280 8.043 242 1HB LYS 29 2HB LYS 29 4.929 6.562 6.206 243 2HB LYS 29 1HB LYS 29 4.234 5.188 7.058 244 1HG LYS 29 2HG LYS 29 3.956 6.430 8.865 245 2HG LYS 29 1HG LYS 29 5.689 6.762 8.928 246 1HD LYS 29 2HD LYS 29 3.891 8.276 7.067 247 2HD LYS 29 1HD LYS 29 4.051 8.749 8.759 248 1HE LYS 29 2HE LYS 29 6.661 8.394 7.934 249 2HE LYS 29 1HE LYS 29 5.884 9.124 6.530 250 1HZ LYS 29 1HZ LYS 29 6.758 10.402 8.826 251 2HZ LYS 29 2HZ LYS 29 5.069 10.453 8.887 252 3HZ LYS 29 3HZ LYS 29 5.885 11.078 7.544 253 H GLU 30 H GLU 30 5.741 3.260 8.535 254 HA GLU 30 HA GLU 30 5.613 1.393 6.271 255 1HB GLU 30 2HB GLU 30 6.537 -0.209 8.285 256 2HB GLU 30 1HB GLU 30 7.525 0.477 7.002 257 1HG GLU 30 2HG GLU 30 8.753 1.132 8.783 258 2HG GLU 30 1HG GLU 30 7.654 2.508 8.694 259 H ALA 31 H ALA 31 3.948 0.051 6.258 260 HA ALA 31 HA ALA 31 2.417 -0.427 8.713 261 1HB ALA 31 1HB ALA 31 0.313 -0.174 7.271 262 2HB ALA 31 2HB ALA 31 1.346 0.688 6.133 263 3HB ALA 31 3HB ALA 31 1.134 1.306 7.771 264 H THR 32 H THR 32 2.546 -2.589 8.946 265 HA THR 32 HA THR 32 2.798 -4.264 6.590 266 HB THR 32 HB THR 32 2.961 -4.968 9.519 267 HG1 THR 32 1HG THR 32 4.731 -3.771 8.483 268 1HG2 THR 32 1HG2 THR 32 2.071 -6.861 8.216 269 2HG2 THR 32 2HG2 THR 32 3.713 -7.181 8.784 270 3HG2 THR 32 3HG2 THR 32 3.437 -6.730 7.101 271 H ILE 33 H ILE 33 1.401 -5.687 5.834 272 HA ILE 33 HA ILE 33 -1.012 -6.322 7.354 273 HB ILE 33 HB ILE 33 -1.771 -6.076 4.612 274 1HG1 ILE 33 2HG1 ILE 33 -0.802 -3.456 5.763 275 2HG1 ILE 33 1HG1 ILE 33 0.132 -4.395 4.603 276 1HG2 ILE 33 1HG2 ILE 33 -3.381 -4.402 5.631 277 2HG2 ILE 33 2HG2 ILE 33 -2.583 -4.729 7.170 278 3HG2 ILE 33 3HG2 ILE 33 -3.399 -6.031 6.305 279 1HD1 ILE 33 1HD1 ILE 33 -2.666 -3.465 4.050 280 2HD1 ILE 33 2HD1 ILE 33 -1.464 -4.066 2.907 281 3HD1 ILE 33 3HD1 ILE 33 -1.240 -2.495 3.679 282 HA PRO 34 HA PRO 34 0.652 -10.124 5.528 283 1HB PRO 34 2HB PRO 34 -0.659 -11.583 7.626 284 2HB PRO 34 1HB PRO 34 1.066 -11.281 7.413 285 1HG PRO 34 2HG PRO 34 -0.473 -10.219 9.442 286 2HG PRO 34 1HG PRO 34 1.057 -9.535 8.872 287 1HD PRO 34 2HD PRO 34 -1.739 -8.691 8.265 288 2HD PRO 34 1HD PRO 34 -0.286 -7.701 8.488 289 H GLY 35 H GLY 35 -0.297 -11.160 3.910 290 1HA GLY 35 2HA GLY 35 -1.893 -12.614 2.966 291 2HA GLY 35 1HA GLY 35 -3.039 -12.128 4.205 292 H HIS 36 H HIS 36 -3.838 -12.320 1.603 293 HA HIS 36 HA HIS 36 -3.729 -9.731 0.332 294 1HB HIS 36 2HB HIS 36 -5.426 -10.840 -1.244 295 2HB HIS 36 1HB HIS 36 -3.802 -11.517 -1.200 296 HD2 HIS 36 2HD HIS 36 -7.394 -12.617 -0.859 297 HE1 HIS 36 1HE HIS 36 -4.999 -15.726 0.725 298 HE2 HIS 36 2HE HIS 36 -7.358 -15.017 0.126 299 H LEU 37 H LEU 37 -4.606 -8.798 2.425 300 HA LEU 37 HA LEU 37 -7.417 -9.117 2.929 301 1HB LEU 37 2HB LEU 37 -5.865 -6.804 3.993 302 2HB LEU 37 1HB LEU 37 -7.111 -7.763 4.769 303 HG LEU 37 HG LEU 37 -4.258 -8.630 4.284 304 1HD1 LEU 37 1HD1 LEU 37 -5.530 -7.165 6.411 305 2HD1 LEU 37 2HD1 LEU 37 -3.825 -7.546 6.169 306 3HD1 LEU 37 3HD1 LEU 37 -4.877 -8.694 6.999 307 1HD2 LEU 37 1HD2 LEU 37 -6.160 -10.386 4.228 308 2HD2 LEU 37 2HD2 LEU 37 -6.251 -10.098 5.966 309 3HD2 LEU 37 3HD2 LEU 37 -4.750 -10.680 5.246 310 H ASN 38 H ASN 38 -5.758 -7.603 0.564 311 HA ASN 38 HA ASN 38 -6.819 -6.472 -1.214 312 1HB ASN 38 2HB ASN 38 -8.774 -5.328 -1.041 313 2HB ASN 38 1HB ASN 38 -8.926 -6.258 0.446 314 1HD2 ASN 38 1HD2 ASN 38 -9.566 -3.389 -0.670 315 2HD2 ASN 38 2HD2 ASN 38 -9.199 -2.385 0.686 316 H SER 39 H SER 39 -6.813 -3.989 -1.760 317 HA SER 39 HA SER 39 -4.205 -3.068 -1.000 318 1HB SER 39 2HB SER 39 -6.287 -1.654 -2.679 319 2HB SER 39 1HB SER 39 -4.561 -1.294 -2.616 320 HG SER 39 HG SER 39 -5.053 -2.575 -4.422 321 H TYR 40 H TYR 40 -3.859 -2.078 0.863 322 HA TYR 40 HA TYR 40 -5.960 -0.413 2.038 323 1HB TYR 40 2HB TYR 40 -4.882 -2.169 3.438 324 2HB TYR 40 1HB TYR 40 -3.345 -1.331 3.260 325 HD1 TYR 40 1HD TYR 40 -3.084 0.961 4.249 326 HD2 TYR 40 2HD TYR 40 -6.483 -1.474 5.039 327 HE1 TYR 40 1HE TYR 40 -3.615 2.350 6.208 328 HE2 TYR 40 2HE TYR 40 -7.024 -0.092 7.000 329 HH TYR 40 HH TYR 40 -6.599 2.138 7.858 330 H THR 41 H THR 41 -5.912 1.694 1.660 331 HA THR 41 HA THR 41 -3.295 3.013 1.367 332 HB THR 41 HB THR 41 -4.301 2.879 -0.840 333 HG1 THR 41 1HG THR 41 -3.673 4.868 -1.188 334 1HG2 THR 41 1HG2 THR 41 -6.723 3.542 0.623 335 2HG2 THR 41 2HG2 THR 41 -6.533 2.818 -0.972 336 3HG2 THR 41 3HG2 THR 41 -6.494 4.571 -0.792 337 H ILE 42 H ILE 42 -3.050 4.993 2.321 338 HA ILE 42 HA ILE 42 -5.091 5.719 4.275 339 HB ILE 42 HB ILE 42 -2.201 6.497 3.932 340 1HG1 ILE 42 2HG1 ILE 42 -2.913 5.695 6.568 341 2HG1 ILE 42 1HG1 ILE 42 -3.625 4.538 5.448 342 1HG2 ILE 42 1HG2 ILE 42 -4.288 7.786 5.663 343 2HG2 ILE 42 2HG2 ILE 42 -3.123 8.549 4.579 344 3HG2 ILE 42 3HG2 ILE 42 -2.576 7.818 6.088 345 1HD1 ILE 42 1HD1 ILE 42 -0.723 5.332 5.505 346 2HD1 ILE 42 2HD1 ILE 42 -1.459 4.104 4.473 347 3HD1 ILE 42 3HD1 ILE 42 -1.398 3.870 6.221 348 H LYS 43 H LYS 43 -6.558 7.207 3.762 349 HA LYS 43 HA LYS 43 -5.778 9.377 1.925 350 1HB LYS 43 2HB LYS 43 -8.588 8.340 2.271 351 2HB LYS 43 1HB LYS 43 -7.984 9.422 1.025 352 1HG LYS 43 2HG LYS 43 -6.590 7.567 0.157 353 2HG LYS 43 1HG LYS 43 -7.345 6.499 1.341 354 1HD LYS 43 2HD LYS 43 -8.962 8.096 -0.626 355 2HD LYS 43 1HD LYS 43 -8.314 6.504 -1.023 356 1HE LYS 43 2HE LYS 43 -10.043 7.050 1.382 357 2HE LYS 43 1HE LYS 43 -10.681 6.524 -0.175 358 1HZ LYS 43 1HZ LYS 43 -8.582 4.815 0.535 359 2HZ LYS 43 2HZ LYS 43 -10.226 4.447 0.385 360 3HZ LYS 43 3HZ LYS 43 -9.608 4.952 1.875 361 H GLY 44 H GLY 44 -5.326 9.603 4.654 362 1HA GLY 44 2HA GLY 44 -7.535 11.262 5.657 363 2HA GLY 44 1HA GLY 44 -6.218 10.615 6.625 364 H LEU 45 H LEU 45 -5.115 11.854 3.694 365 HA LEU 45 HA LEU 45 -3.867 14.080 5.047 366 1HB LEU 45 2HB LEU 45 -3.659 13.132 2.180 367 2HB LEU 45 1HB LEU 45 -2.689 14.409 2.894 368 HG LEU 45 HG LEU 45 -1.192 12.736 3.144 369 1HD1 LEU 45 1HD1 LEU 45 -1.214 11.719 5.314 370 2HD1 LEU 45 2HD1 LEU 45 -2.954 11.967 5.462 371 3HD1 LEU 45 3HD1 LEU 45 -1.864 13.353 5.449 372 1HD2 LEU 45 1HD2 LEU 45 -3.242 11.198 2.180 373 2HD2 LEU 45 2HD2 LEU 45 -2.882 10.444 3.733 374 3HD2 LEU 45 3HD2 LEU 45 -1.607 10.639 2.530 375 H LYS 46 H LYS 46 -3.797 16.255 3.918 376 HA LYS 46 HA LYS 46 -6.544 17.036 3.316 377 1HB LYS 46 2HB LYS 46 -5.712 19.351 3.650 378 2HB LYS 46 1HB LYS 46 -5.444 18.312 5.043 379 1HG LYS 46 2HG LYS 46 -3.319 18.931 5.017 380 2HG LYS 46 1HG LYS 46 -3.135 18.082 3.484 381 1HD LYS 46 2HD LYS 46 -2.361 20.341 3.230 382 2HD LYS 46 1HD LYS 46 -3.854 20.144 2.313 383 1HE LYS 46 2HE LYS 46 -4.252 21.032 5.075 384 2HE LYS 46 1HE LYS 46 -3.332 22.165 4.084 385 1HZ LYS 46 1HZ LYS 46 -5.420 21.387 2.494 386 2HZ LYS 46 2HZ LYS 46 -5.284 22.856 3.322 387 3HZ LYS 46 3HZ LYS 46 -6.119 21.564 4.026 388 HA PRO 47 HA PRO 47 -6.286 17.263 -1.093 389 1HB PRO 47 2HB PRO 47 -7.475 19.955 -0.526 390 2HB PRO 47 1HB PRO 47 -7.932 18.763 -1.750 391 1HG PRO 47 2HG PRO 47 -9.316 19.001 0.520 392 2HG PRO 47 1HG PRO 47 -9.029 17.418 -0.223 393 1HD PRO 47 2HD PRO 47 -7.871 18.581 2.232 394 2HD PRO 47 1HD PRO 47 -8.051 16.880 1.765 395 H GLY 48 H GLY 48 -4.488 17.672 -2.210 396 1HA GLY 48 2HA GLY 48 -3.244 19.426 -3.373 397 2HA GLY 48 1HA GLY 48 -3.216 20.313 -1.862 398 H VAL 49 H VAL 49 -2.657 17.032 -1.266 399 HA VAL 49 HA VAL 49 0.254 17.506 -1.386 400 HB VAL 49 HB VAL 49 -0.883 15.655 0.660 401 1HG1 VAL 49 1HG1 VAL 49 1.131 16.143 1.832 402 2HG1 VAL 49 2HG1 VAL 49 1.503 17.487 0.752 403 3HG1 VAL 49 3HG1 VAL 49 1.558 15.830 0.150 404 1HG2 VAL 49 1HG2 VAL 49 -0.507 18.575 1.247 405 2HG2 VAL 49 2HG2 VAL 49 -1.300 17.342 2.229 406 3HG2 VAL 49 3HG2 VAL 49 -2.068 17.919 0.750 407 H VAL 50 H VAL 50 1.540 15.957 -2.205 408 HA VAL 50 HA VAL 50 0.245 13.438 -3.012 409 HB VAL 50 HB VAL 50 1.517 15.293 -4.689 410 1HG1 VAL 50 1HG1 VAL 50 3.400 14.046 -5.632 411 2HG1 VAL 50 2HG1 VAL 50 3.233 12.837 -4.356 412 3HG1 VAL 50 3HG1 VAL 50 3.698 14.490 -3.950 413 1HG2 VAL 50 1HG2 VAL 50 0.977 13.766 -6.421 414 2HG2 VAL 50 2HG2 VAL 50 -0.258 13.569 -5.179 415 3HG2 VAL 50 3HG2 VAL 50 1.046 12.386 -5.322 416 H TYR 51 H TYR 51 1.143 11.588 -2.359 417 HA TYR 51 HA TYR 51 3.728 11.739 -0.954 418 1HB TYR 51 2HB TYR 51 1.256 10.087 -0.358 419 2HB TYR 51 1HB TYR 51 2.840 9.637 0.260 420 HD1 TYR 51 1HD TYR 51 0.520 12.567 0.158 421 HD2 TYR 51 2HD TYR 51 3.507 10.440 2.314 422 HE1 TYR 51 1HE TYR 51 0.208 14.080 2.072 423 HE2 TYR 51 2HE TYR 51 3.208 11.945 4.231 424 HH TYR 51 HH TYR 51 1.903 13.549 5.126 425 H GLU 52 H GLU 52 4.376 9.140 -0.756 426 HA GLU 52 HA GLU 52 4.233 8.108 -3.521 427 1HB GLU 52 2HB GLU 52 6.491 9.174 -2.755 428 2HB GLU 52 1HB GLU 52 6.671 7.713 -1.792 429 1HG GLU 52 2HG GLU 52 6.172 7.664 -4.753 430 2HG GLU 52 1HG GLU 52 7.786 7.710 -4.048 431 H GLY 53 H GLY 53 3.570 6.038 -3.636 432 1HA GLY 53 2HA GLY 53 3.481 4.541 -1.095 433 2HA GLY 53 1HA GLY 53 2.253 4.417 -2.343 434 H GLN 54 H GLN 54 4.785 2.888 -0.981 435 HA GLN 54 HA GLN 54 5.186 1.222 -3.364 436 1HB GLN 54 2HB GLN 54 7.175 2.687 -3.002 437 2HB GLN 54 1HB GLN 54 7.372 1.968 -1.410 438 1HG GLN 54 2HG GLN 54 7.818 -0.180 -2.366 439 2HG GLN 54 1HG GLN 54 7.427 0.410 -3.980 440 1HE2 GLN 54 1HE2 GLN 54 9.890 -0.289 -1.905 441 2HE2 GLN 54 2HE2 GLN 54 11.149 0.646 -2.631 442 H LEU 55 H LEU 55 4.337 -0.693 -2.897 443 HA LEU 55 HA LEU 55 4.394 -1.625 -0.119 444 1HB LEU 55 2HB LEU 55 2.190 -1.512 -1.056 445 2HB LEU 55 1HB LEU 55 2.690 -2.409 -2.474 446 HG LEU 55 HG LEU 55 3.165 -4.353 -0.877 447 1HD1 LEU 55 1HD1 LEU 55 2.453 -4.313 1.279 448 2HD1 LEU 55 2HD1 LEU 55 1.158 -3.163 0.948 449 3HD1 LEU 55 3HD1 LEU 55 2.822 -2.598 1.095 450 1HD2 LEU 55 1HD2 LEU 55 1.199 -4.055 -2.461 451 2HD2 LEU 55 2HD2 LEU 55 0.275 -3.546 -1.047 452 3HD2 LEU 55 3HD2 LEU 55 0.972 -5.166 -1.108 453 H ILE 56 H ILE 56 6.143 -2.789 0.283 454 HA ILE 56 HA ILE 56 7.109 -4.709 -1.714 455 HB ILE 56 HB ILE 56 8.430 -3.847 0.860 456 1HG1 ILE 56 2HG1 ILE 56 10.033 -2.817 -1.008 457 2HG1 ILE 56 1HG1 ILE 56 8.528 -2.772 -1.921 458 1HG2 ILE 56 1HG2 ILE 56 8.895 -6.123 -0.492 459 2HG2 ILE 56 2HG2 ILE 56 10.138 -5.250 0.405 460 3HG2 ILE 56 3HG2 ILE 56 9.993 -5.033 -1.339 461 1HD1 ILE 56 1HD1 ILE 56 8.272 -1.719 0.780 462 2HD1 ILE 56 2HD1 ILE 56 7.758 -1.038 -0.762 463 3HD1 ILE 56 3HD1 ILE 56 9.424 -0.836 -0.221 464 H SER 57 H SER 57 7.103 -6.875 -1.311 465 HA SER 57 HA SER 57 5.525 -7.721 0.984 466 1HB SER 57 2HB SER 57 6.434 -9.470 -1.292 467 2HB SER 57 1HB SER 57 5.105 -9.742 -0.167 468 HG SER 57 HG SER 57 4.889 -7.389 -1.530 469 H ILE 58 H ILE 58 6.137 -9.403 2.315 470 HA ILE 58 HA ILE 58 9.053 -9.792 2.469 471 HB ILE 58 HB ILE 58 7.047 -9.474 4.681 472 1HG1 ILE 58 2HG1 ILE 58 9.658 -8.116 3.987 473 2HG1 ILE 58 1HG1 ILE 58 8.047 -7.427 3.835 474 1HG2 ILE 58 1HG2 ILE 58 8.625 -10.235 6.280 475 2HG2 ILE 58 2HG2 ILE 58 9.899 -10.360 5.065 476 3HG2 ILE 58 3HG2 ILE 58 8.536 -11.481 5.033 477 1HD1 ILE 58 1HD1 ILE 58 7.986 -6.823 5.981 478 2HD1 ILE 58 2HD1 ILE 58 9.733 -7.064 5.943 479 3HD1 ILE 58 3HD1 ILE 58 8.678 -8.349 6.531 480 H GLN 59 H GLN 59 9.857 -11.763 2.517 481 HA GLN 59 HA GLN 59 8.026 -14.019 2.855 482 1HB GLN 59 2HB GLN 59 10.166 -15.066 1.535 483 2HB GLN 59 1HB GLN 59 8.645 -14.583 0.803 484 1HG GLN 59 2HG GLN 59 9.507 -12.452 0.270 485 2HG GLN 59 1HG GLN 59 11.022 -12.795 1.100 486 1HE2 GLN 59 1HE2 GLN 59 9.152 -14.913 -0.998 487 2HE2 GLN 59 2HE2 GLN 59 10.373 -15.117 -2.195 488 H GLN 60 H GLN 60 9.614 -16.082 3.175 489 HA GLN 60 HA GLN 60 10.845 -15.653 5.734 490 1HB GLN 60 2HB GLN 60 11.529 -18.128 5.348 491 2HB GLN 60 1HB GLN 60 9.826 -17.753 5.571 492 1HG GLN 60 2HG GLN 60 10.304 -17.556 2.813 493 2HG GLN 60 1HG GLN 60 11.138 -19.013 3.359 494 1HE2 GLN 60 1HE2 GLN 60 8.556 -18.340 1.828 495 2HE2 GLN 60 2HE2 GLN 60 7.384 -19.382 2.555 496 H TYR 61 H TYR 61 11.771 -15.615 2.455 497 HA TYR 61 HA TYR 61 14.624 -15.786 3.115 498 1HB TYR 61 2HB TYR 61 14.125 -15.569 0.284 499 2HB TYR 61 1HB TYR 61 14.906 -16.867 1.177 500 HD1 TYR 61 1HD TYR 61 13.921 -18.971 1.180 501 HD2 TYR 61 2HD TYR 61 11.497 -15.576 0.359 502 HE1 TYR 61 1HE TYR 61 12.025 -20.453 0.672 503 HE2 TYR 61 2HE TYR 61 9.585 -17.041 -0.146 504 HH TYR 61 HH TYR 61 8.810 -19.169 0.001 505 H GLY 62 H GLY 62 12.246 -13.495 2.688 506 1HA GLY 62 2HA GLY 62 12.455 -11.182 2.686 507 2HA GLY 62 1HA GLY 62 14.190 -11.373 2.489 508 H HIS 63 H HIS 63 12.002 -9.701 1.139 509 HA HIS 63 HA HIS 63 11.735 -8.726 -0.903 510 1HB HIS 63 2HB HIS 63 14.214 -9.006 -1.088 511 2HB HIS 63 1HB HIS 63 13.939 -10.556 -1.875 512 HD2 HIS 63 2HD HIS 63 13.080 -10.442 -4.509 513 HE1 HIS 63 1HE HIS 63 13.493 -6.243 -4.838 514 HE2 HIS 63 2HE HIS 63 13.278 -8.420 -6.120 515 H GLN 64 H GLN 64 9.652 -9.747 -0.923 516 HA GLN 64 HA GLN 64 9.435 -12.171 -2.555 517 1HB GLN 64 2HB GLN 64 8.318 -11.845 -0.243 518 2HB GLN 64 1HB GLN 64 7.151 -10.864 -1.116 519 1HG GLN 64 2HG GLN 64 6.109 -12.645 -1.940 520 2HG GLN 64 1HG GLN 64 7.622 -13.436 -2.383 521 1HE2 GLN 64 1HE2 GLN 64 7.774 -15.353 -1.474 522 2HE2 GLN 64 2HE2 GLN 64 7.317 -15.759 0.143 523 H GLU 65 H GLU 65 7.387 -9.271 -2.198 524 HA GLU 65 HA GLU 65 7.222 -9.078 -5.126 525 1HB GLU 65 2HB GLU 65 5.309 -10.323 -3.678 526 2HB GLU 65 1HB GLU 65 4.715 -8.673 -3.615 527 1HG GLU 65 2HG GLU 65 3.659 -9.602 -5.475 528 2HG GLU 65 1HG GLU 65 4.980 -8.651 -6.152 529 H VAL 66 H VAL 66 7.425 -7.017 -5.830 530 HA VAL 66 HA VAL 66 6.852 -4.871 -3.892 531 HB VAL 66 HB VAL 66 8.761 -4.577 -6.198 532 1HG1 VAL 66 1HG1 VAL 66 8.623 -2.449 -5.548 533 2HG1 VAL 66 2HG1 VAL 66 9.482 -2.933 -4.085 534 3HG1 VAL 66 3HG1 VAL 66 7.719 -2.880 -4.095 535 1HG2 VAL 66 1HG2 VAL 66 10.535 -5.341 -4.980 536 2HG2 VAL 66 2HG2 VAL 66 9.276 -6.394 -4.335 537 3HG2 VAL 66 3HG2 VAL 66 9.779 -4.964 -3.432 538 H THR 67 H THR 67 5.604 -3.191 -4.475 539 HA THR 67 HA THR 67 4.723 -2.954 -7.261 540 HB THR 67 HB THR 67 2.505 -2.375 -5.530 541 HG1 THR 67 1HG THR 67 2.352 -4.884 -5.168 542 1HG2 THR 67 1HG2 THR 67 2.296 -2.850 -7.899 543 2HG2 THR 67 2HG2 THR 67 1.385 -4.043 -6.974 544 3HG2 THR 67 3HG2 THR 67 2.954 -4.468 -7.661 545 H ARG 68 H ARG 68 4.564 -0.867 -7.943 546 HA ARG 68 HA ARG 68 4.930 1.216 -5.894 547 1HB ARG 68 2HB ARG 68 5.644 1.402 -8.820 548 2HB ARG 68 1HB ARG 68 6.063 2.545 -7.550 549 1HG ARG 68 2HG ARG 68 7.275 0.512 -6.481 550 2HG ARG 68 1HG ARG 68 7.197 -0.156 -8.112 551 1HD ARG 68 2HD ARG 68 8.478 2.435 -7.263 552 2HD ARG 68 1HD ARG 68 9.296 0.982 -7.837 553 HE ARG 68 HE ARG 68 7.723 2.846 -9.468 554 1HH1 ARG 68 1HH1 ARG 68 9.860 0.105 -9.219 555 2HH1 ARG 68 2HH1 ARG 68 10.230 0.078 -10.910 556 1HH2 ARG 68 1HH2 ARG 68 8.204 2.817 -11.695 557 2HH2 ARG 68 2HH2 ARG 68 9.290 1.620 -12.318 558 H PHE 69 H PHE 69 3.716 3.067 -5.925 559 HA PHE 69 HA PHE 69 1.809 3.590 -8.007 560 1HB PHE 69 2HB PHE 69 -0.005 3.714 -6.031 561 2HB PHE 69 1HB PHE 69 0.195 2.308 -7.067 562 HD1 PHE 69 1HD PHE 69 0.796 3.704 -3.736 563 HD2 PHE 69 2HD PHE 69 1.135 0.266 -6.220 564 HE1 PHE 69 1HE PHE 69 1.204 2.313 -1.750 565 HE2 PHE 69 2HE PHE 69 1.549 -1.131 -4.238 566 HZ PHE 69 HZ PHE 69 1.581 -0.107 -1.998 567 H ASP 70 H ASP 70 0.590 5.574 -7.665 568 HA ASP 70 HA ASP 70 2.276 7.517 -6.301 569 1HB ASP 70 2HB ASP 70 0.852 9.201 -7.494 570 2HB ASP 70 1HB ASP 70 1.694 8.093 -8.577 571 H PHE 71 H PHE 71 1.493 8.943 -4.795 572 HA PHE 71 HA PHE 71 -0.944 8.080 -3.413 573 1HB PHE 71 2HB PHE 71 1.645 7.931 -2.670 574 2HB PHE 71 1HB PHE 71 1.196 9.490 -1.977 575 HD1 PHE 71 1HD PHE 71 -0.756 9.567 -0.398 576 HD2 PHE 71 2HD PHE 71 1.084 5.979 -1.696 577 HE1 PHE 71 1HE PHE 71 -1.682 8.406 1.565 578 HE2 PHE 71 2HE PHE 71 0.166 4.786 0.260 579 HZ PHE 71 HZ PHE 71 -1.210 6.021 1.893 580 H THR 72 H THR 72 -2.338 9.600 -2.637 581 HA THR 72 HA THR 72 -1.681 12.415 -2.713 582 HB THR 72 HB THR 72 -4.238 12.347 -3.872 583 HG1 THR 72 1HG THR 72 -2.404 10.810 -5.420 584 1HG2 THR 72 1HG2 THR 72 -1.929 13.768 -4.128 585 2HG2 THR 72 2HG2 THR 72 -3.336 13.939 -5.179 586 3HG2 THR 72 3HG2 THR 72 -1.988 12.912 -5.670 587 H THR 73 H THR 73 -3.553 13.721 -1.861 588 HA THR 73 HA THR 73 -4.499 12.480 0.560 589 HB THR 73 HB THR 73 -5.110 14.632 1.258 590 HG1 THR 73 1HG THR 73 -4.866 15.982 -1.125 591 1HG2 THR 73 1HG2 THR 73 -2.664 14.332 0.833 592 2HG2 THR 73 2HG2 THR 73 -3.201 16.010 0.783 593 3HG2 THR 73 3HG2 THR 73 -2.889 15.138 -0.718 594 H THR 74 H THR 74 -6.938 14.226 0.563 595 HA THR 74 HA THR 74 -8.813 12.298 -0.301 596 HB THR 74 HB THR 74 -10.480 13.690 0.510 597 HG1 THR 74 1HG THR 74 -10.556 15.800 0.126 598 1HG2 THR 74 1HG2 THR 74 -9.787 14.305 2.603 599 2HG2 THR 74 2HG2 THR 74 -8.326 15.097 2.009 600 3HG2 THR 74 3HG2 THR 74 -8.397 13.336 2.113 601 H SER 75 H SER 75 -7.033 14.554 -2.017 602 HA SER 75 HA SER 75 -8.831 15.464 -3.964 603 1HB SER 75 2HB SER 75 -6.972 16.618 -4.454 604 2HB SER 75 1HB SER 75 -5.978 15.495 -3.527 605 HG SER 75 HG SER 75 -5.996 15.790 -6.114 606 H THR 76 H THR 76 -8.809 14.842 -6.284 607 HA THR 76 HA THR 76 -9.072 11.940 -6.510 608 HB THR 76 HB THR 76 -9.788 13.569 -8.852 609 HG1 THR 76 1HG THR 76 -10.359 14.881 -6.911 610 1HG2 THR 76 1HG2 THR 76 -10.307 11.129 -8.447 611 2HG2 THR 76 2HG2 THR 76 -11.681 12.132 -8.913 612 3HG2 THR 76 3HG2 THR 76 -11.465 11.662 -7.227 613 H SER 77 H SER 77 -7.075 11.104 -6.882 614 HA SER 77 HA SER 77 -5.971 11.383 -9.490 615 1HB SER 77 2HB SER 77 -4.787 12.941 -7.275 616 2HB SER 77 1HB SER 77 -3.639 12.013 -8.240 617 HG SER 77 HG SER 77 -5.492 13.350 -9.745 618 H THR 78 H THR 78 -6.945 9.291 -7.788 619 HA THR 78 HA THR 78 -4.494 7.685 -7.460 620 HB THR 78 HB THR 78 -6.222 6.287 -5.967 621 HG1 THR 78 1HG THR 78 -7.210 8.926 -6.071 622 1HG2 THR 78 1HG2 THR 78 -4.049 7.110 -5.218 623 2HG2 THR 78 2HG2 THR 78 -5.284 7.414 -3.996 624 3HG2 THR 78 3HG2 THR 78 -4.718 8.731 -5.024 625 HA PRO 79 HA PRO 79 -6.887 5.655 -10.837 626 1HB PRO 79 2HB PRO 79 -4.728 4.840 -12.249 627 2HB PRO 79 1HB PRO 79 -5.395 6.471 -12.389 628 1HG PRO 79 2HG PRO 79 -3.036 5.517 -10.814 629 2HG PRO 79 1HG PRO 79 -3.203 6.978 -11.804 630 1HD PRO 79 2HD PRO 79 -3.426 6.992 -9.095 631 2HD PRO 79 1HD PRO 79 -4.297 8.131 -10.142 632 H GLY 80 H GLY 80 -5.709 3.379 -11.959 633 1HA GLY 80 2HA GLY 80 -6.051 1.509 -9.767 634 2HA GLY 80 1HA GLY 80 -5.922 1.107 -11.473 635 H SER 81 H SER 81 -3.665 1.604 -12.413 636 HA SER 81 HA SER 81 -1.484 1.321 -10.537 637 1HB SER 81 2HB SER 81 -2.637 -0.989 -11.851 638 2HB SER 81 1HB SER 81 -0.954 -0.770 -12.328 639 HG SER 81 HG SER 81 -2.043 -1.299 -9.806 640 H ARG 82 H ARG 82 -1.357 0.097 -13.815 641 HA ARG 82 HA ARG 82 -0.303 2.607 -14.839 642 1HB ARG 82 2HB ARG 82 1.314 0.072 -14.616 643 2HB ARG 82 1HB ARG 82 1.707 1.335 -15.774 644 1HG ARG 82 2HG ARG 82 1.665 2.881 -13.674 645 2HG ARG 82 1HG ARG 82 1.897 1.365 -12.800 646 1HD ARG 82 2HD ARG 82 4.058 1.370 -13.305 647 2HD ARG 82 1HD ARG 82 3.678 1.431 -15.027 648 HE ARG 82 HE ARG 82 4.203 3.656 -15.022 649 1HH1 ARG 82 1HH1 ARG 82 3.699 2.611 -11.735 650 2HH1 ARG 82 2HH1 ARG 82 4.230 4.107 -11.043 651 1HH2 ARG 82 1HH2 ARG 82 4.907 5.627 -14.118 652 2HH2 ARG 82 2HH2 ARG 82 4.917 5.821 -12.396 653 H SER 83 H SER 83 -1.872 -0.364 -15.223 654 HA SER 83 HA SER 83 -2.478 0.259 -17.993 655 1HB SER 83 2HB SER 83 -1.248 -2.386 -17.184 656 2HB SER 83 1HB SER 83 -1.964 -2.047 -18.760 657 HG SER 83 HG SER 83 0.332 -1.769 -18.710 658 H HIS 84 H HIS 84 -3.434 -0.643 -14.999 659 HA HIS 84 HA HIS 84 -5.752 -2.178 -15.958 660 1HB HIS 84 2HB HIS 84 -4.070 -2.436 -13.656 661 2HB HIS 84 1HB HIS 84 -5.709 -2.084 -13.120 662 HD2 HIS 84 2HD HIS 84 -7.406 -4.178 -13.151 663 HE1 HIS 84 1HE HIS 84 -4.934 -6.800 -15.371 664 HE2 HIS 84 2HE HIS 84 -7.172 -6.536 -14.208 665 H HIS 85 H HIS 85 -6.184 0.225 -16.718 666 HA HIS 85 HA HIS 85 -7.246 1.978 -14.716 667 1HB HIS 85 2HB HIS 85 -8.211 3.107 -16.898 668 2HB HIS 85 1HB HIS 85 -6.497 3.207 -16.512 669 HD2 HIS 85 2HD HIS 85 -8.488 0.409 -18.485 670 HE1 HIS 85 1HE HIS 85 -5.153 1.721 -20.734 671 HE2 HIS 85 2HE HIS 85 -7.210 0.238 -20.734 672 H HIS 86 H HIS 86 -9.397 2.048 -17.273 673 HA HIS 86 HA HIS 86 -11.618 1.610 -17.453 674 1HB HIS 86 2HB HIS 86 -10.327 -0.840 -17.042 675 2HB HIS 86 1HB HIS 86 -11.720 -0.875 -15.966 676 HD2 HIS 86 2HD HIS 86 -14.072 -1.445 -17.149 677 HE1 HIS 86 1HE HIS 86 -12.735 -1.055 -21.145 678 HE2 HIS 86 2HE HIS 86 -14.726 -1.555 -19.657 679 H HIS 87 H HIS 87 -13.441 0.323 -15.817 680 HA HIS 87 HA HIS 87 -14.843 0.757 -14.079 681 1HB HIS 87 2HB HIS 87 -12.288 0.183 -12.997 682 2HB HIS 87 1HB HIS 87 -12.965 1.498 -12.042 683 HD2 HIS 87 2HD HIS 87 -13.104 -2.251 -12.245 684 HE1 HIS 87 1HE HIS 87 -16.548 -1.031 -10.109 685 HE2 HIS 87 2HE HIS 87 -15.185 -3.017 -10.899 686 H HIS 88 H HIS 88 -15.441 2.719 -15.299 687 HA HIS 88 HA HIS 88 -15.146 5.059 -13.597 688 1HB HIS 88 2HB HIS 88 -13.543 4.837 -15.840 689 2HB HIS 88 1HB HIS 88 -14.900 5.802 -16.413 690 HD2 HIS 88 2HD HIS 88 -15.427 7.989 -14.358 691 HE1 HIS 88 1HE HIS 88 -11.239 8.420 -13.923 692 HE2 HIS 88 2HE HIS 88 -13.498 9.482 -13.473 693 H HIS 89 H HIS 89 -16.885 3.134 -15.787 694 HA HIS 89 HA HIS 89 -19.251 4.783 -15.394 695 1HB HIS 89 2HB HIS 89 -19.862 4.722 -17.775 696 2HB HIS 89 1HB HIS 89 -18.357 5.598 -17.519 697 HD2 HIS 89 2HD HIS 89 -19.741 2.777 -19.617 698 HE1 HIS 89 1HE HIS 89 -15.522 2.544 -19.860 699 HE2 HIS 89 2HE HIS 89 -17.711 1.589 -20.712 Start of MODEL 35 1 1H MET 1 1HT MET 1 1.314 -11.618 19.865 2 2H MET 1 2HT MET 1 2.515 -12.121 20.944 3 3H MET 1 3HT MET 1 2.623 -12.534 19.308 4 HA MET 1 HA MET 1 2.836 -10.184 18.726 5 1HB MET 1 2HB MET 1 2.150 -9.986 21.546 6 2HB MET 1 1HB MET 1 3.586 -9.049 21.161 7 1HG MET 1 2HG MET 1 2.016 -7.477 20.745 8 2HG MET 1 1HG MET 1 2.069 -8.234 19.154 9 1HE MET 1 1HE MET 1 -1.329 -9.529 18.541 10 2HE MET 1 2HE MET 1 0.226 -10.359 18.562 11 3HE MET 1 3HE MET 1 0.112 -8.714 17.936 12 H ARG 2 H ARG 2 4.316 -12.746 19.453 13 HA ARG 2 HA ARG 2 6.962 -11.643 19.148 14 1HB ARG 2 2HB ARG 2 6.021 -12.562 21.739 15 2HB ARG 2 1HB ARG 2 7.420 -13.478 21.196 16 1HG ARG 2 2HG ARG 2 7.641 -10.569 20.869 17 2HG ARG 2 1HG ARG 2 7.544 -11.135 22.538 18 1HD ARG 2 2HD ARG 2 9.324 -12.890 21.599 19 2HD ARG 2 1HD ARG 2 9.655 -11.549 20.503 20 HE ARG 2 HE ARG 2 9.659 -10.373 22.937 21 1HH1 ARG 2 1HH1 ARG 2 11.301 -13.151 21.625 22 2HH1 ARG 2 2HH1 ARG 2 12.690 -12.972 22.644 23 1HH2 ARG 2 1HH2 ARG 2 11.482 -10.133 24.286 24 2HH2 ARG 2 2HH2 ARG 2 12.792 -11.258 24.156 25 H GLY 3 H GLY 3 5.211 -13.275 17.568 26 1HA GLY 3 2HA GLY 3 6.795 -15.025 16.320 27 2HA GLY 3 1HA GLY 3 6.286 -15.975 17.708 28 H SER 4 H SER 4 3.977 -16.329 17.999 29 HA SER 4 HA SER 4 1.988 -17.122 17.231 30 1HB SER 4 2HB SER 4 2.074 -14.939 15.152 31 2HB SER 4 1HB SER 4 0.665 -15.633 15.951 32 HG SER 4 HG SER 4 2.678 -14.220 17.352 33 H ASN 5 H ASN 5 4.387 -18.237 16.095 34 HA ASN 5 HA ASN 5 5.051 -19.683 14.474 35 1HB ASN 5 2HB ASN 5 2.249 -20.035 14.759 36 2HB ASN 5 1HB ASN 5 2.612 -20.123 13.040 37 1HD2 ASN 5 1HD2 ASN 5 1.711 -22.354 13.839 38 2HD2 ASN 5 2HD2 ASN 5 2.929 -23.534 14.171 39 H ALA 6 H ALA 6 4.748 -20.120 11.949 40 HA ALA 6 HA ALA 6 4.245 -17.695 10.445 41 1HB ALA 6 1HB ALA 6 6.850 -18.232 11.378 42 2HB ALA 6 2HB ALA 6 6.340 -16.991 10.234 43 3HB ALA 6 3HB ALA 6 6.847 -18.575 9.648 44 HA PRO 7 HA PRO 7 3.484 -21.770 8.256 45 1HB PRO 7 2HB PRO 7 0.883 -21.305 7.645 46 2HB PRO 7 1HB PRO 7 1.393 -22.040 9.170 47 1HG PRO 7 2HG PRO 7 0.634 -19.203 8.594 48 2HG PRO 7 1HG PRO 7 0.189 -20.221 9.976 49 1HD PRO 7 2HD PRO 7 2.156 -18.360 10.102 50 2HD PRO 7 1HD PRO 7 2.199 -19.863 11.045 51 H GLN 8 H GLN 8 2.783 -22.068 5.987 52 HA GLN 8 HA GLN 8 3.488 -19.705 4.404 53 1HB GLN 8 2HB GLN 8 3.257 -22.511 3.345 54 2HB GLN 8 1HB GLN 8 4.180 -21.166 2.689 55 1HG GLN 8 2HG GLN 8 5.921 -21.483 4.107 56 2HG GLN 8 1HG GLN 8 4.900 -22.113 5.398 57 1HE2 GLN 8 1HE2 GLN 8 7.323 -22.949 3.488 58 2HE2 GLN 8 2HE2 GLN 8 7.011 -24.634 3.272 59 HA PRO 9 HA PRO 9 -0.934 -19.689 3.441 60 1HB PRO 9 2HB PRO 9 -1.067 -17.138 2.617 61 2HB PRO 9 1HB PRO 9 -0.949 -17.553 4.331 62 1HG PRO 9 2HG PRO 9 1.196 -16.640 2.453 63 2HG PRO 9 1HG PRO 9 0.888 -16.140 4.125 64 1HD PRO 9 2HD PRO 9 2.785 -17.980 3.416 65 2HD PRO 9 1HD PRO 9 1.979 -17.957 4.997 66 H SER 10 H SER 10 -2.117 -18.726 1.413 67 HA SER 10 HA SER 10 -0.871 -19.948 -0.891 68 1HB SER 10 2HB SER 10 -3.524 -18.504 -0.819 69 2HB SER 10 1HB SER 10 -2.996 -19.743 -1.957 70 HG SER 10 HG SER 10 -2.783 -20.924 0.299 71 H HIS 11 H HIS 11 -0.622 -16.985 0.483 72 HA HIS 11 HA HIS 11 0.159 -15.767 -2.062 73 1HB HIS 11 2HB HIS 11 -2.207 -15.057 -1.035 74 2HB HIS 11 1HB HIS 11 -1.179 -13.986 -0.088 75 HD2 HIS 11 2HD HIS 11 -1.129 -14.794 -3.965 76 HE1 HIS 11 1HE HIS 11 -1.149 -10.613 -3.316 77 HE2 HIS 11 2HE HIS 11 -0.929 -12.448 -5.051 78 H ILE 12 H ILE 12 0.690 -13.207 -0.816 79 HA ILE 12 HA ILE 12 3.312 -13.720 0.155 80 HB ILE 12 HB ILE 12 2.605 -11.686 -1.134 81 1HG1 ILE 12 2HG1 ILE 12 4.175 -10.247 0.001 82 2HG1 ILE 12 1HG1 ILE 12 4.016 -11.175 1.478 83 1HG2 ILE 12 1HG2 ILE 12 1.823 -10.409 1.431 84 2HG2 ILE 12 2HG2 ILE 12 0.621 -11.371 0.573 85 3HG2 ILE 12 3HG2 ILE 12 1.377 -9.990 -0.223 86 1HD1 ILE 12 1HD1 ILE 12 6.047 -11.517 -0.139 87 2HD1 ILE 12 2HD1 ILE 12 4.909 -12.556 -0.997 88 3HD1 ILE 12 3HD1 ILE 12 5.310 -12.887 0.687 89 H SER 13 H SER 13 4.172 -13.458 2.201 90 HA SER 13 HA SER 13 2.537 -14.139 4.389 91 1HB SER 13 2HB SER 13 5.241 -14.127 3.929 92 2HB SER 13 1HB SER 13 5.064 -12.783 5.055 93 HG SER 13 HG SER 13 3.632 -15.021 5.746 94 H LYS 14 H LYS 14 3.985 -11.078 3.338 95 HA LYS 14 HA LYS 14 1.835 -9.557 4.418 96 1HB LYS 14 2HB LYS 14 3.533 -8.213 5.926 97 2HB LYS 14 1HB LYS 14 2.678 -9.618 6.548 98 1HG LYS 14 2HG LYS 14 4.970 -10.687 5.434 99 2HG LYS 14 1HG LYS 14 5.517 -9.183 6.178 100 1HD LYS 14 2HD LYS 14 3.919 -10.137 8.133 101 2HD LYS 14 1HD LYS 14 4.479 -11.650 7.420 102 1HE LYS 14 2HE LYS 14 6.448 -9.492 8.044 103 2HE LYS 14 1HE LYS 14 5.834 -10.511 9.346 104 1HZ LYS 14 1HZ LYS 14 6.893 -12.335 8.547 105 2HZ LYS 14 2HZ LYS 14 7.961 -11.161 7.962 106 3HZ LYS 14 3HZ LYS 14 6.804 -11.839 6.931 107 H TYR 15 H TYR 15 1.815 -7.450 3.686 108 HA TYR 15 HA TYR 15 3.822 -6.791 1.649 109 1HB TYR 15 2HB TYR 15 0.942 -6.287 1.990 110 2HB TYR 15 1HB TYR 15 1.845 -4.878 1.463 111 HD1 TYR 15 1HD TYR 15 0.118 -7.759 0.411 112 HD2 TYR 15 2HD TYR 15 3.429 -5.277 -0.600 113 HE1 TYR 15 1HE TYR 15 0.002 -8.557 -1.908 114 HE2 TYR 15 2HE TYR 15 3.321 -6.073 -2.924 115 HH TYR 15 HH TYR 15 2.478 -7.886 -4.214 116 H ILE 16 H ILE 16 4.904 -4.803 1.685 117 HA ILE 16 HA ILE 16 4.663 -3.301 4.204 118 HB ILE 16 HB ILE 16 7.028 -4.341 2.838 119 1HG1 ILE 16 2HG1 ILE 16 6.410 -4.778 5.193 120 2HG1 ILE 16 1HG1 ILE 16 8.010 -4.056 5.055 121 1HG2 ILE 16 1HG2 ILE 16 7.240 -2.050 2.031 122 2HG2 ILE 16 2HG2 ILE 16 8.479 -2.411 3.233 123 3HG2 ILE 16 3HG2 ILE 16 7.072 -1.443 3.679 124 1HD1 ILE 16 1HD1 ILE 16 5.708 -2.237 5.488 125 2HD1 ILE 16 2HD1 ILE 16 7.372 -2.120 6.062 126 3HD1 ILE 16 3HD1 ILE 16 6.248 -3.233 6.840 127 H LEU 17 H LEU 17 3.892 -1.329 3.995 128 HA LEU 17 HA LEU 17 4.082 -0.050 1.356 129 1HB LEU 17 2HB LEU 17 1.815 -0.583 2.432 130 2HB LEU 17 1HB LEU 17 2.170 0.731 3.535 131 HG LEU 17 HG LEU 17 2.598 1.695 0.895 132 1HD1 LEU 17 1HD1 LEU 17 1.003 -0.350 0.501 133 2HD1 LEU 17 2HD1 LEU 17 0.719 1.190 -0.313 134 3HD1 LEU 17 3HD1 LEU 17 -0.220 0.760 1.118 135 1HD2 LEU 17 1HD2 LEU 17 1.473 2.517 3.290 136 2HD2 LEU 17 2HD2 LEU 17 0.130 2.541 2.148 137 3HD2 LEU 17 3HD2 LEU 17 1.596 3.460 1.805 138 H ARG 18 H ARG 18 5.605 1.421 1.238 139 HA ARG 18 HA ARG 18 6.163 3.057 3.615 140 1HB ARG 18 2HB ARG 18 7.987 2.151 1.389 141 2HB ARG 18 1HB ARG 18 8.414 3.449 2.496 142 1HG ARG 18 2HG ARG 18 8.891 2.031 4.160 143 2HG ARG 18 1HG ARG 18 7.533 0.968 3.782 144 1HD ARG 18 2HD ARG 18 9.879 0.035 3.445 145 2HD ARG 18 1HD ARG 18 8.734 -0.168 2.124 146 HE ARG 18 HE ARG 18 10.106 1.106 0.824 147 1HH1 ARG 18 1HH1 ARG 18 10.850 1.750 4.166 148 2HH1 ARG 18 2HH1 ARG 18 12.207 2.765 3.803 149 1HH2 ARG 18 1HH2 ARG 18 11.887 2.442 0.336 150 2HH2 ARG 18 2HH2 ARG 18 12.796 3.159 1.624 151 H TRP 19 H TRP 19 5.792 5.183 3.455 152 HA TRP 19 HA TRP 19 5.799 6.406 0.817 153 1HB TRP 19 2HB TRP 19 3.614 7.267 0.891 154 2HB TRP 19 1HB TRP 19 3.457 5.581 1.360 155 HD1 TRP 19 HD TRP 19 2.791 9.077 2.570 156 HE1 TRP 19 1HE TRP 19 1.638 8.979 4.873 157 HE3 TRP 19 3HE TRP 19 3.455 4.112 3.608 158 HZ2 TRP 19 2HZ TRP 19 1.093 7.056 6.865 159 HZ3 TRP 19 3HZ TRP 19 2.590 3.225 5.734 160 HH2 TRP 19 HH TRP 19 1.433 4.669 7.327 161 H ARG 20 H ARG 20 6.152 8.561 0.742 162 HA ARG 20 HA ARG 20 6.379 10.100 3.193 163 1HB ARG 20 2HB ARG 20 8.562 9.639 3.463 164 2HB ARG 20 1HB ARG 20 8.682 8.894 1.877 165 1HG ARG 20 2HG ARG 20 8.537 11.845 1.948 166 2HG ARG 20 1HG ARG 20 10.015 11.098 2.557 167 1HD ARG 20 2HD ARG 20 9.163 9.867 0.090 168 2HD ARG 20 1HD ARG 20 9.354 11.609 -0.105 169 HE ARG 20 HE ARG 20 11.483 9.843 0.919 170 1HH1 ARG 20 1HH1 ARG 20 10.395 12.559 -0.972 171 2HH1 ARG 20 2HH1 ARG 20 11.984 12.982 -1.514 172 1HH2 ARG 20 1HH2 ARG 20 13.579 10.395 0.215 173 2HH2 ARG 20 2HH2 ARG 20 13.794 11.752 -0.840 174 HA PRO 21 HA PRO 21 5.010 13.346 0.535 175 1HB PRO 21 2HB PRO 21 6.781 15.133 2.119 176 2HB PRO 21 1HB PRO 21 5.044 15.251 1.813 177 1HG PRO 21 2HG PRO 21 5.927 14.477 4.194 178 2HG PRO 21 1HG PRO 21 4.518 13.691 3.455 179 1HD PRO 21 2HD PRO 21 7.348 12.725 3.620 180 2HD PRO 21 1HD PRO 21 5.835 11.824 3.861 181 H LYS 22 H LYS 22 5.822 13.240 -1.471 182 HA LYS 22 HA LYS 22 8.608 13.407 -2.064 183 1HB LYS 22 2HB LYS 22 6.097 13.118 -3.599 184 2HB LYS 22 1HB LYS 22 7.438 13.857 -4.462 185 1HG LYS 22 2HG LYS 22 7.574 11.202 -3.048 186 2HG LYS 22 1HG LYS 22 7.282 11.411 -4.775 187 1HD LYS 22 2HD LYS 22 9.440 12.444 -5.066 188 2HD LYS 22 1HD LYS 22 9.727 12.423 -3.325 189 1HE LYS 22 2HE LYS 22 9.086 9.808 -4.488 190 2HE LYS 22 1HE LYS 22 10.588 10.520 -5.076 191 1HZ LYS 22 1HZ LYS 22 11.558 10.384 -3.043 192 2HZ LYS 22 2HZ LYS 22 10.507 9.067 -2.903 193 3HZ LYS 22 3HZ LYS 22 10.105 10.547 -2.191 194 H ASN 23 H ASN 23 6.251 15.758 -1.425 195 HA ASN 23 HA ASN 23 7.607 17.818 -2.994 196 1HB ASN 23 2HB ASN 23 5.730 19.270 -2.310 197 2HB ASN 23 1HB ASN 23 5.176 17.798 -3.101 198 1HD2 ASN 23 1HD2 ASN 23 3.752 16.557 -2.086 199 2HD2 ASN 23 2HD2 ASN 23 3.253 16.746 -0.443 200 H SER 24 H SER 24 7.250 16.729 0.287 201 HA SER 24 HA SER 24 8.659 19.121 1.254 202 1HB SER 24 2HB SER 24 6.554 17.474 2.357 203 2HB SER 24 1HB SER 24 7.926 17.549 3.463 204 HG SER 24 HG SER 24 6.494 19.729 2.347 205 H VAL 25 H VAL 25 9.141 15.882 0.450 206 HA VAL 25 HA VAL 25 10.822 14.383 0.808 207 HB VAL 25 HB VAL 25 12.616 16.675 1.386 208 1HG1 VAL 25 1HG1 VAL 25 14.244 15.374 0.154 209 2HG1 VAL 25 2HG1 VAL 25 13.014 14.167 -0.223 210 3HG1 VAL 25 3HG1 VAL 25 13.537 14.402 1.445 211 1HG2 VAL 25 1HG2 VAL 25 11.647 15.899 -1.353 212 2HG2 VAL 25 2HG2 VAL 25 12.803 17.173 -0.965 213 3HG2 VAL 25 3HG2 VAL 25 11.119 17.330 -0.468 214 H GLY 26 H GLY 26 9.606 13.875 2.862 215 1HA GLY 26 2HA GLY 26 11.244 14.547 5.227 216 2HA GLY 26 1HA GLY 26 9.531 14.160 5.286 217 H ARG 27 H ARG 27 9.963 12.543 6.853 218 HA ARG 27 HA ARG 27 11.595 10.272 6.053 219 1HB ARG 27 2HB ARG 27 10.315 11.186 8.581 220 2HB ARG 27 1HB ARG 27 10.582 9.458 8.384 221 1HG ARG 27 2HG ARG 27 12.763 9.651 8.772 222 2HG ARG 27 1HG ARG 27 12.920 11.021 7.671 223 1HD ARG 27 2HD ARG 27 12.672 12.553 9.322 224 2HD ARG 27 1HD ARG 27 11.549 11.545 10.234 225 HE ARG 27 HE ARG 27 13.358 10.504 11.283 226 1HH1 ARG 27 1HH1 ARG 27 14.410 12.861 8.940 227 2HH1 ARG 27 2HH1 ARG 27 16.033 12.924 9.541 228 1HH2 ARG 27 1HH2 ARG 27 15.492 10.586 12.084 229 2HH2 ARG 27 2HH2 ARG 27 16.647 11.633 11.329 230 H TRP 28 H TRP 28 10.835 8.250 5.581 231 HA TRP 28 HA TRP 28 8.183 8.078 4.542 232 1HB TRP 28 2HB TRP 28 10.266 5.923 4.947 233 2HB TRP 28 1HB TRP 28 8.783 5.737 4.019 234 HD1 TRP 28 HD TRP 28 11.949 7.994 3.932 235 HE1 TRP 28 1HE TRP 28 12.528 8.432 1.462 236 HE3 TRP 28 3HE TRP 28 8.026 5.560 1.736 237 HZ2 TRP 28 2HZ TRP 28 11.459 7.826 -1.082 238 HZ3 TRP 28 3HZ TRP 28 7.876 5.538 -0.720 239 HH2 TRP 28 HH TRP 28 9.558 6.647 -2.098 240 H LYS 29 H LYS 29 6.991 5.884 5.059 241 HA LYS 29 HA LYS 29 6.927 5.370 7.939 242 1HB LYS 29 2HB LYS 29 4.805 6.667 6.353 243 2HB LYS 29 1HB LYS 29 4.260 5.318 7.341 244 1HG LYS 29 2HG LYS 29 4.758 6.381 9.315 245 2HG LYS 29 1HG LYS 29 5.976 7.419 8.572 246 1HD LYS 29 2HD LYS 29 4.396 9.007 8.649 247 2HD LYS 29 1HD LYS 29 3.701 8.174 7.256 248 1HE LYS 29 2HE LYS 29 2.096 8.670 9.127 249 2HE LYS 29 1HE LYS 29 2.169 6.982 8.624 250 1HZ LYS 29 1HZ LYS 29 3.395 8.199 11.036 251 2HZ LYS 29 2HZ LYS 29 3.750 6.633 10.505 252 3HZ LYS 29 3HZ LYS 29 2.175 7.027 10.978 253 H GLU 30 H GLU 30 6.141 3.274 8.458 254 HA GLU 30 HA GLU 30 5.842 1.527 6.102 255 1HB GLU 30 2HB GLU 30 7.178 0.918 8.740 256 2HB GLU 30 1HB GLU 30 6.900 -0.260 7.465 257 1HG GLU 30 2HG GLU 30 8.547 0.567 6.144 258 2HG GLU 30 1HG GLU 30 8.349 2.215 6.737 259 H ALA 31 H ALA 31 4.250 0.091 6.027 260 HA ALA 31 HA ALA 31 2.643 -0.458 8.407 261 1HB ALA 31 1HB ALA 31 1.578 0.678 5.830 262 2HB ALA 31 2HB ALA 31 1.417 1.338 7.457 263 3HB ALA 31 3HB ALA 31 0.562 -0.141 7.017 264 H THR 32 H THR 32 2.401 -2.592 8.574 265 HA THR 32 HA THR 32 2.883 -4.241 6.214 266 HB THR 32 HB THR 32 2.489 -5.566 8.824 267 HG1 THR 32 1HG THR 32 4.951 -4.857 8.986 268 1HG2 THR 32 1HG2 THR 32 3.552 -6.216 6.340 269 2HG2 THR 32 2HG2 THR 32 3.687 -7.168 7.819 270 3HG2 THR 32 3HG2 THR 32 4.965 -6.034 7.380 271 H ILE 33 H ILE 33 1.269 -4.969 5.094 272 HA ILE 33 HA ILE 33 -1.151 -5.939 6.442 273 HB ILE 33 HB ILE 33 -1.494 -4.583 3.808 274 1HG1 ILE 33 2HG1 ILE 33 -1.928 -2.810 6.120 275 2HG1 ILE 33 1HG1 ILE 33 -0.233 -3.154 5.773 276 1HG2 ILE 33 1HG2 ILE 33 -3.391 -4.158 6.013 277 2HG2 ILE 33 2HG2 ILE 33 -3.181 -5.843 5.509 278 3HG2 ILE 33 3HG2 ILE 33 -3.676 -4.626 4.333 279 1HD1 ILE 33 1HD1 ILE 33 -1.652 -2.530 3.354 280 2HD1 ILE 33 2HD1 ILE 33 -0.241 -1.749 4.066 281 3HD1 ILE 33 3HD1 ILE 33 -1.863 -1.256 4.557 282 HA PRO 34 HA PRO 34 0.444 -9.319 3.882 283 1HB PRO 34 2HB PRO 34 -1.876 -10.737 5.051 284 2HB PRO 34 1HB PRO 34 -0.171 -11.190 5.023 285 1HG PRO 34 2HG PRO 34 -1.323 -10.312 7.265 286 2HG PRO 34 1HG PRO 34 0.348 -9.880 6.858 287 1HD PRO 34 2HD PRO 34 -2.148 -8.243 6.617 288 2HD PRO 34 1HD PRO 34 -0.523 -7.750 7.137 289 H GLY 35 H GLY 35 -1.299 -11.280 2.946 290 1HA GLY 35 2HA GLY 35 -2.143 -10.148 0.523 291 2HA GLY 35 1HA GLY 35 -2.524 -11.766 1.078 292 H HIS 36 H HIS 36 -3.718 -8.783 0.269 293 HA HIS 36 HA HIS 36 -5.680 -7.648 1.159 294 1HB HIS 36 2HB HIS 36 -7.366 -8.446 -0.557 295 2HB HIS 36 1HB HIS 36 -5.792 -7.947 -1.175 296 HD2 HIS 36 2HD HIS 36 -4.198 -9.975 -2.216 297 HE1 HIS 36 1HE HIS 36 -7.251 -12.901 -2.096 298 HE2 HIS 36 2HE HIS 36 -5.004 -12.278 -3.092 299 H LEU 37 H LEU 37 -5.698 -8.683 3.338 300 HA LEU 37 HA LEU 37 -7.587 -10.825 3.774 301 1HB LEU 37 2HB LEU 37 -7.084 -9.811 6.258 302 2HB LEU 37 1HB LEU 37 -6.175 -11.096 5.494 303 HG LEU 37 HG LEU 37 -5.336 -8.258 5.077 304 1HD1 LEU 37 1HD1 LEU 37 -3.884 -9.478 7.230 305 2HD1 LEU 37 2HD1 LEU 37 -5.596 -9.355 7.638 306 3HD1 LEU 37 3HD1 LEU 37 -4.694 -7.909 7.172 307 1HD2 LEU 37 1HD2 LEU 37 -3.873 -9.426 3.863 308 2HD2 LEU 37 2HD2 LEU 37 -4.275 -10.943 4.666 309 3HD2 LEU 37 3HD2 LEU 37 -3.136 -9.825 5.414 310 H ASN 38 H ASN 38 -7.981 -7.680 3.061 311 HA ASN 38 HA ASN 38 -9.837 -6.303 3.139 312 1HB ASN 38 2HB ASN 38 -11.229 -8.425 3.704 313 2HB ASN 38 1HB ASN 38 -11.009 -7.953 5.387 314 1HD2 ASN 38 1HD2 ASN 38 -10.996 -5.053 4.269 315 2HD2 ASN 38 2HD2 ASN 38 -12.683 -4.695 4.141 316 H SER 39 H SER 39 -7.428 -6.631 4.485 317 HA SER 39 HA SER 39 -7.479 -5.642 7.126 318 1HB SER 39 2HB SER 39 -5.742 -7.128 6.037 319 2HB SER 39 1HB SER 39 -5.117 -5.664 5.290 320 HG SER 39 HG SER 39 -5.349 -6.224 8.059 321 H TYR 40 H TYR 40 -5.861 -3.871 7.583 322 HA TYR 40 HA TYR 40 -7.067 -1.443 6.824 323 1HB TYR 40 2HB TYR 40 -6.169 -1.646 8.990 324 2HB TYR 40 1HB TYR 40 -4.656 -2.280 8.401 325 HD1 TYR 40 1HD TYR 40 -2.834 -0.926 8.084 326 HD2 TYR 40 2HD TYR 40 -6.679 0.853 8.445 327 HE1 TYR 40 1HE TYR 40 -1.788 1.304 8.139 328 HE2 TYR 40 2HE TYR 40 -5.648 3.088 8.503 329 HH TYR 40 HH TYR 40 -3.730 4.242 8.130 330 H THR 41 H THR 41 -6.809 -0.650 4.849 331 HA THR 41 HA THR 41 -4.144 -0.626 3.598 332 HB THR 41 HB THR 41 -5.245 -0.198 1.494 333 HG1 THR 41 1HG THR 41 -7.012 0.978 1.733 334 1HG2 THR 41 1HG2 THR 41 -5.678 -2.373 1.273 335 2HG2 THR 41 2HG2 THR 41 -7.181 -2.197 2.179 336 3HG2 THR 41 3HG2 THR 41 -5.671 -2.524 3.030 337 H ILE 42 H ILE 42 -3.181 1.312 3.016 338 HA ILE 42 HA ILE 42 -4.125 3.644 4.432 339 HB ILE 42 HB ILE 42 -1.636 2.999 2.901 340 1HG1 ILE 42 2HG1 ILE 42 -1.193 4.296 5.381 341 2HG1 ILE 42 1HG1 ILE 42 -2.473 3.113 5.635 342 1HG2 ILE 42 1HG2 ILE 42 -1.962 5.181 2.104 343 2HG2 ILE 42 2HG2 ILE 42 -0.891 5.367 3.493 344 3HG2 ILE 42 3HG2 ILE 42 -2.608 5.741 3.647 345 1HD1 ILE 42 1HD1 ILE 42 0.373 2.732 5.138 346 2HD1 ILE 42 2HD1 ILE 42 -0.677 1.681 4.188 347 3HD1 ILE 42 3HD1 ILE 42 -0.793 1.687 5.948 348 H LYS 43 H LYS 43 -5.185 5.322 3.648 349 HA LYS 43 HA LYS 43 -5.002 6.318 1.019 350 1HB LYS 43 2HB LYS 43 -7.324 5.776 0.274 351 2HB LYS 43 1HB LYS 43 -6.260 4.378 0.344 352 1HG LYS 43 2HG LYS 43 -7.259 3.628 2.376 353 2HG LYS 43 1HG LYS 43 -8.187 5.122 2.528 354 1HD LYS 43 2HD LYS 43 -9.708 4.497 0.943 355 2HD LYS 43 1HD LYS 43 -8.536 3.531 0.046 356 1HE LYS 43 2HE LYS 43 -10.142 2.050 1.036 357 2HE LYS 43 1HE LYS 43 -8.606 1.853 1.879 358 1HZ LYS 43 1HZ LYS 43 -9.742 2.196 3.738 359 2HZ LYS 43 2HZ LYS 43 -11.132 2.678 2.904 360 3HZ LYS 43 3HZ LYS 43 -9.929 3.811 3.268 361 H GLY 44 H GLY 44 -7.358 7.601 0.669 362 1HA GLY 44 2HA GLY 44 -8.509 9.467 1.343 363 2HA GLY 44 1HA GLY 44 -8.662 8.649 2.889 364 H LEU 45 H LEU 45 -6.705 10.862 0.997 365 HA LEU 45 HA LEU 45 -5.458 11.799 3.494 366 1HB LEU 45 2HB LEU 45 -4.377 12.023 0.672 367 2HB LEU 45 1HB LEU 45 -3.579 12.587 2.131 368 HG LEU 45 HG LEU 45 -2.481 10.587 1.649 369 1HD1 LEU 45 1HD1 LEU 45 -4.502 9.269 3.360 370 2HD1 LEU 45 2HD1 LEU 45 -3.758 10.745 3.981 371 3HD1 LEU 45 3HD1 LEU 45 -2.747 9.370 3.535 372 1HD2 LEU 45 1HD2 LEU 45 -4.907 8.916 1.337 373 2HD2 LEU 45 2HD2 LEU 45 -3.328 8.784 0.562 374 3HD2 LEU 45 3HD2 LEU 45 -4.482 9.998 0.011 375 H LYS 46 H LYS 46 -4.855 14.218 3.389 376 HA LYS 46 HA LYS 46 -7.228 15.632 2.440 377 1HB LYS 46 2HB LYS 46 -6.493 17.449 3.942 378 2HB LYS 46 1HB LYS 46 -6.700 15.918 4.777 379 1HG LYS 46 2HG LYS 46 -4.586 15.892 5.436 380 2HG LYS 46 1HG LYS 46 -3.990 16.276 3.823 381 1HD LYS 46 2HD LYS 46 -3.326 18.018 5.333 382 2HD LYS 46 1HD LYS 46 -4.562 18.657 4.248 383 1HE LYS 46 2HE LYS 46 -5.897 19.148 5.960 384 2HE LYS 46 1HE LYS 46 -5.769 17.508 6.595 385 1HZ LYS 46 1HZ LYS 46 -3.556 18.246 7.530 386 2HZ LYS 46 2HZ LYS 46 -4.933 18.903 8.261 387 3HZ LYS 46 3HZ LYS 46 -4.030 19.832 7.173 388 HA PRO 47 HA PRO 47 -5.585 17.327 -1.299 389 1HB PRO 47 2HB PRO 47 -6.699 19.877 -0.407 390 2HB PRO 47 1HB PRO 47 -7.141 18.881 -1.792 391 1HG PRO 47 2HG PRO 47 -8.395 19.035 0.819 392 2HG PRO 47 1HG PRO 47 -8.964 18.211 -0.640 393 1HD PRO 47 2HD PRO 47 -8.146 16.904 1.609 394 2HD PRO 47 1HD PRO 47 -8.025 16.214 -0.022 395 H GLY 48 H GLY 48 -3.755 18.267 -1.914 396 1HA GLY 48 2HA GLY 48 -2.167 20.032 -1.892 397 2HA GLY 48 1HA GLY 48 -2.530 20.304 -0.200 398 H VAL 49 H VAL 49 -2.209 17.038 -0.376 399 HA VAL 49 HA VAL 49 0.705 17.225 0.055 400 HB VAL 49 HB VAL 49 -0.643 15.048 1.488 401 1HG1 VAL 49 1HG1 VAL 49 1.499 17.071 2.042 402 2HG1 VAL 49 2HG1 VAL 49 1.633 15.316 1.926 403 3HG1 VAL 49 3HG1 VAL 49 0.845 16.050 3.323 404 1HG2 VAL 49 1HG2 VAL 49 -1.894 17.536 1.620 405 2HG2 VAL 49 2HG2 VAL 49 -0.906 17.444 3.077 406 3HG2 VAL 49 3HG2 VAL 49 -2.093 16.185 2.737 407 H VAL 50 H VAL 50 1.954 15.925 -1.118 408 HA VAL 50 HA VAL 50 0.682 13.648 -2.487 409 HB VAL 50 HB VAL 50 2.347 15.640 -3.562 410 1HG1 VAL 50 1HG1 VAL 50 3.828 13.030 -3.670 411 2HG1 VAL 50 2HG1 VAL 50 4.232 14.297 -2.509 412 3HG1 VAL 50 3HG1 VAL 50 4.356 14.613 -4.240 413 1HG2 VAL 50 1HG2 VAL 50 1.430 14.809 -5.410 414 2HG2 VAL 50 2HG2 VAL 50 0.743 13.515 -4.429 415 3HG2 VAL 50 3HG2 VAL 50 2.305 13.288 -5.214 416 H TYR 51 H TYR 51 1.663 11.608 -2.383 417 HA TYR 51 HA TYR 51 3.925 11.338 -0.538 418 1HB TYR 51 2HB TYR 51 1.297 9.862 -0.345 419 2HB TYR 51 1HB TYR 51 2.760 9.351 0.490 420 HD1 TYR 51 1HD TYR 51 3.875 11.176 2.015 421 HD2 TYR 51 2HD TYR 51 -0.184 11.273 0.743 422 HE1 TYR 51 1HE TYR 51 3.327 12.658 3.897 423 HE2 TYR 51 2HE TYR 51 -0.743 12.759 2.622 424 HH TYR 51 HH TYR 51 1.134 13.177 5.253 425 H GLU 52 H GLU 52 5.427 9.931 -1.219 426 HA GLU 52 HA GLU 52 4.987 8.540 -3.715 427 1HB GLU 52 2HB GLU 52 7.170 9.649 -3.089 428 2HB GLU 52 1HB GLU 52 7.395 8.388 -1.887 429 1HG GLU 52 2HG GLU 52 8.617 8.030 -4.028 430 2HG GLU 52 1HG GLU 52 7.556 6.707 -3.550 431 H GLY 53 H GLY 53 4.399 6.437 -3.904 432 1HA GLY 53 2HA GLY 53 4.312 4.879 -1.399 433 2HA GLY 53 1HA GLY 53 3.122 4.744 -2.679 434 H GLN 54 H GLN 54 5.402 3.090 -1.244 435 HA GLN 54 HA GLN 54 6.056 1.560 -3.659 436 1HB GLN 54 2HB GLN 54 8.033 1.993 -1.417 437 2HB GLN 54 1HB GLN 54 8.321 1.213 -2.967 438 1HG GLN 54 2HG GLN 54 7.704 3.502 -3.976 439 2HG GLN 54 1HG GLN 54 7.998 4.118 -2.352 440 1HE2 GLN 54 1HE2 GLN 54 9.671 1.488 -3.986 441 2HE2 GLN 54 2HE2 GLN 54 11.220 2.251 -4.025 442 H LEU 55 H LEU 55 5.092 -0.363 -3.400 443 HA LEU 55 HA LEU 55 4.776 -1.405 -0.676 444 1HB LEU 55 2HB LEU 55 3.143 -1.431 -3.050 445 2HB LEU 55 1HB LEU 55 3.408 -3.064 -2.478 446 HG LEU 55 HG LEU 55 2.295 -0.809 -0.803 447 1HD1 LEU 55 1HD1 LEU 55 1.029 -2.277 -2.804 448 2HD1 LEU 55 2HD1 LEU 55 0.265 -1.301 -1.548 449 3HD1 LEU 55 3HD1 LEU 55 0.523 -3.026 -1.289 450 1HD2 LEU 55 1HD2 LEU 55 3.600 -2.933 0.159 451 2HD2 LEU 55 2HD2 LEU 55 2.005 -3.657 -0.044 452 3HD2 LEU 55 3HD2 LEU 55 2.201 -2.226 0.967 453 H ILE 56 H ILE 56 6.449 -2.613 -0.090 454 HA ILE 56 HA ILE 56 7.582 -4.523 -2.016 455 HB ILE 56 HB ILE 56 8.742 -3.681 0.652 456 1HG1 ILE 56 2HG1 ILE 56 10.412 -2.701 -1.302 457 2HG1 ILE 56 1HG1 ILE 56 8.828 -2.446 -2.012 458 1HG2 ILE 56 1HG2 ILE 56 10.542 -4.998 0.178 459 2HG2 ILE 56 2HG2 ILE 56 10.343 -4.812 -1.566 460 3HG2 ILE 56 3HG2 ILE 56 9.299 -5.919 -0.672 461 1HD1 ILE 56 1HD1 ILE 56 10.111 -0.762 -0.261 462 2HD1 ILE 56 2HD1 ILE 56 8.934 -1.592 0.757 463 3HD1 ILE 56 3HD1 ILE 56 8.399 -0.718 -0.678 464 H SER 57 H SER 57 7.115 -6.637 -1.781 465 HA SER 57 HA SER 57 5.495 -7.447 0.453 466 1HB SER 57 2HB SER 57 6.156 -8.575 -2.186 467 2HB SER 57 1HB SER 57 5.908 -9.755 -0.900 468 HG SER 57 HG SER 57 3.903 -9.426 -1.572 469 H ILE 58 H ILE 58 5.911 -9.101 1.816 470 HA ILE 58 HA ILE 58 8.758 -9.656 2.295 471 HB ILE 58 HB ILE 58 6.554 -9.365 4.330 472 1HG1 ILE 58 2HG1 ILE 58 8.969 -7.671 3.678 473 2HG1 ILE 58 1HG1 ILE 58 7.287 -7.237 3.398 474 1HG2 ILE 58 1HG2 ILE 58 9.478 -9.747 4.904 475 2HG2 ILE 58 2HG2 ILE 58 8.358 -11.104 4.796 476 3HG2 ILE 58 3HG2 ILE 58 8.116 -9.856 6.018 477 1HD1 ILE 58 1HD1 ILE 58 6.862 -6.955 5.680 478 2HD1 ILE 58 2HD1 ILE 58 8.438 -6.210 5.413 479 3HD1 ILE 58 3HD1 ILE 58 8.333 -7.810 6.147 480 H GLN 59 H GLN 59 9.426 -11.670 2.480 481 HA GLN 59 HA GLN 59 7.426 -13.827 2.476 482 1HB GLN 59 2HB GLN 59 9.309 -13.482 0.628 483 2HB GLN 59 1HB GLN 59 10.241 -14.412 1.792 484 1HG GLN 59 2HG GLN 59 8.520 -15.393 -0.132 485 2HG GLN 59 1HG GLN 59 9.254 -16.293 1.192 486 1HE2 GLN 59 1HE2 GLN 59 7.947 -17.207 2.625 487 2HE2 GLN 59 2HE2 GLN 59 6.252 -16.909 2.776 488 H GLN 60 H GLN 60 8.813 -15.958 3.256 489 HA GLN 60 HA GLN 60 8.952 -15.695 6.030 490 1HB GLN 60 2HB GLN 60 9.072 -17.801 4.169 491 2HB GLN 60 1HB GLN 60 10.541 -17.923 5.127 492 1HG GLN 60 2HG GLN 60 7.825 -17.657 6.375 493 2HG GLN 60 1HG GLN 60 8.525 -19.216 5.943 494 1HE2 GLN 60 1HE2 GLN 60 11.020 -19.172 6.675 495 2HE2 GLN 60 2HE2 GLN 60 11.215 -18.824 8.355 496 H TYR 61 H TYR 61 11.368 -15.385 3.536 497 HA TYR 61 HA TYR 61 13.460 -15.001 5.561 498 1HB TYR 61 2HB TYR 61 15.078 -15.338 3.804 499 2HB TYR 61 1HB TYR 61 13.898 -16.644 3.733 500 HD1 TYR 61 1HD TYR 61 11.962 -16.356 2.034 501 HD2 TYR 61 2HD TYR 61 15.578 -14.121 1.886 502 HE1 TYR 61 1HE TYR 61 11.548 -15.855 -0.337 503 HE2 TYR 61 2HE TYR 61 15.175 -13.613 -0.486 504 HH TYR 61 HH TYR 61 13.523 -15.090 -2.429 505 H GLY 62 H GLY 62 11.298 -13.219 3.781 506 1HA GLY 62 2HA GLY 62 11.196 -10.847 3.954 507 2HA GLY 62 1HA GLY 62 12.943 -10.812 4.121 508 H HIS 63 H HIS 63 11.386 -9.179 2.375 509 HA HIS 63 HA HIS 63 11.453 -8.340 0.263 510 1HB HIS 63 2HB HIS 63 13.954 -9.171 0.658 511 2HB HIS 63 1HB HIS 63 13.522 -10.288 -0.632 512 HD2 HIS 63 2HD HIS 63 13.352 -9.213 -3.147 513 HE1 HIS 63 1HE HIS 63 14.336 -5.264 -1.984 514 HE2 HIS 63 2HE HIS 63 13.821 -6.789 -3.944 515 H GLN 64 H GLN 64 10.180 -8.670 -1.509 516 HA GLN 64 HA GLN 64 9.928 -11.279 -2.679 517 1HB GLN 64 2HB GLN 64 7.996 -10.363 -0.689 518 2HB GLN 64 1HB GLN 64 7.266 -10.889 -2.200 519 1HG GLN 64 2HG GLN 64 8.881 -12.445 -0.237 520 2HG GLN 64 1HG GLN 64 7.303 -12.813 -0.931 521 1HE2 GLN 64 1HE2 GLN 64 10.331 -13.856 -0.881 522 2HE2 GLN 64 2HE2 GLN 64 10.475 -14.528 -2.466 523 H GLU 65 H GLU 65 7.702 -8.495 -2.418 524 HA GLU 65 HA GLU 65 8.007 -8.080 -5.318 525 1HB GLU 65 2HB GLU 65 5.930 -9.441 -4.290 526 2HB GLU 65 1HB GLU 65 5.300 -7.807 -4.148 527 1HG GLU 65 2HG GLU 65 4.998 -7.591 -6.362 528 2HG GLU 65 1HG GLU 65 6.500 -8.428 -6.751 529 H VAL 66 H VAL 66 8.637 -6.001 -5.621 530 HA VAL 66 HA VAL 66 7.307 -3.969 -3.966 531 HB VAL 66 HB VAL 66 9.379 -3.694 -3.099 532 1HG1 VAL 66 1HG1 VAL 66 10.855 -4.147 -5.655 533 2HG1 VAL 66 2HG1 VAL 66 10.318 -5.496 -4.652 534 3HG1 VAL 66 3HG1 VAL 66 11.420 -4.290 -3.989 535 1HG2 VAL 66 1HG2 VAL 66 8.636 -1.733 -4.822 536 2HG2 VAL 66 2HG2 VAL 66 10.278 -2.075 -5.368 537 3HG2 VAL 66 3HG2 VAL 66 9.983 -1.621 -3.690 538 H THR 67 H THR 67 6.301 -2.401 -4.958 539 HA THR 67 HA THR 67 6.872 -1.872 -7.797 540 HB THR 67 HB THR 67 4.072 -1.662 -6.740 541 HG1 THR 67 1HG THR 67 4.794 -3.816 -6.302 542 1HG2 THR 67 1HG2 THR 67 3.767 -0.993 -8.849 543 2HG2 THR 67 2HG2 THR 67 4.135 -2.641 -9.357 544 3HG2 THR 67 3HG2 THR 67 5.418 -1.433 -9.287 545 H ARG 68 H ARG 68 6.802 0.277 -8.410 546 HA ARG 68 HA ARG 68 6.523 2.191 -6.200 547 1HB ARG 68 2HB ARG 68 7.872 2.654 -8.859 548 2HB ARG 68 1HB ARG 68 7.957 3.673 -7.428 549 1HG ARG 68 2HG ARG 68 8.874 1.335 -6.431 550 2HG ARG 68 1HG ARG 68 9.435 1.231 -8.100 551 1HD ARG 68 2HD ARG 68 10.081 3.293 -6.020 552 2HD ARG 68 1HD ARG 68 11.184 2.287 -6.957 553 HE ARG 68 HE ARG 68 9.735 4.641 -7.954 554 1HH1 ARG 68 1HH1 ARG 68 12.228 2.230 -8.309 555 2HH1 ARG 68 2HH1 ARG 68 12.986 3.027 -9.648 556 1HH2 ARG 68 1HH2 ARG 68 10.726 5.694 -9.715 557 2HH2 ARG 68 2HH2 ARG 68 12.133 4.996 -10.447 558 H PHE 69 H PHE 69 5.060 3.765 -6.220 559 HA PHE 69 HA PHE 69 3.792 4.660 -8.647 560 1HB PHE 69 2HB PHE 69 1.477 4.218 -7.428 561 2HB PHE 69 1HB PHE 69 2.206 3.023 -8.492 562 HD1 PHE 69 1HD PHE 69 2.270 4.011 -4.888 563 HD2 PHE 69 2HD PHE 69 2.299 0.862 -7.752 564 HE1 PHE 69 1HE PHE 69 2.202 2.360 -3.067 565 HE2 PHE 69 2HE PHE 69 2.237 -0.795 -5.935 566 HZ PHE 69 HZ PHE 69 2.186 -0.045 -3.590 567 H ASP 70 H ASP 70 3.088 6.712 -8.493 568 HA ASP 70 HA ASP 70 3.450 8.032 -5.908 569 1HB ASP 70 2HB ASP 70 3.431 10.128 -7.165 570 2HB ASP 70 1HB ASP 70 4.587 9.006 -7.882 571 H PHE 71 H PHE 71 1.810 9.171 -4.884 572 HA PHE 71 HA PHE 71 -0.785 9.288 -6.166 573 1HB PHE 71 2HB PHE 71 -1.964 8.031 -4.518 574 2HB PHE 71 1HB PHE 71 -0.616 7.038 -5.069 575 HD1 PHE 71 1HD PHE 71 -2.086 8.827 -2.259 576 HD2 PHE 71 2HD PHE 71 1.295 6.624 -3.613 577 HE1 PHE 71 1HE PHE 71 -1.365 8.505 0.072 578 HE2 PHE 71 2HE PHE 71 2.021 6.301 -1.284 579 HZ PHE 71 HZ PHE 71 0.690 7.239 0.562 580 H THR 72 H THR 72 -2.361 10.488 -4.909 581 HA THR 72 HA THR 72 -1.236 12.316 -2.935 582 HB THR 72 HB THR 72 -3.113 13.632 -4.741 583 HG1 THR 72 1HG THR 72 -0.525 13.115 -5.789 584 1HG2 THR 72 1HG2 THR 72 -0.676 14.984 -4.675 585 2HG2 THR 72 2HG2 THR 72 -0.836 14.232 -3.088 586 3HG2 THR 72 3HG2 THR 72 -2.102 15.304 -3.687 587 H THR 73 H THR 73 -2.990 13.695 -2.021 588 HA THR 73 HA THR 73 -4.898 12.144 -0.726 589 HB THR 73 HB THR 73 -5.630 14.153 0.259 590 HG1 THR 73 1HG THR 73 -6.159 15.592 -1.236 591 1HG2 THR 73 1HG2 THR 73 -2.946 13.586 0.053 592 2HG2 THR 73 2HG2 THR 73 -3.661 14.754 1.164 593 3HG2 THR 73 3HG2 THR 73 -3.018 15.292 -0.388 594 H THR 74 H THR 74 -7.018 14.340 -1.127 595 HA THR 74 HA THR 74 -8.661 12.874 -2.937 596 HB THR 74 HB THR 74 -10.402 14.344 -2.371 597 HG1 THR 74 1HG THR 74 -9.965 16.408 -2.469 598 1HG2 THR 74 1HG2 THR 74 -8.657 14.568 0.075 599 2HG2 THR 74 2HG2 THR 74 -9.364 13.037 -0.439 600 3HG2 THR 74 3HG2 THR 74 -10.410 14.390 -0.013 601 H SER 75 H SER 75 -6.126 14.540 -3.763 602 HA SER 75 HA SER 75 -7.303 16.196 -5.857 603 1HB SER 75 2HB SER 75 -5.371 16.987 -4.414 604 2HB SER 75 1HB SER 75 -4.367 15.806 -5.254 605 HG SER 75 HG SER 75 -5.079 18.252 -6.049 606 H THR 76 H THR 76 -5.415 13.272 -5.427 607 HA THR 76 HA THR 76 -4.977 11.517 -6.802 608 HB THR 76 HB THR 76 -6.642 12.665 -9.009 609 HG1 THR 76 1HG THR 76 -8.439 11.579 -7.770 610 1HG2 THR 76 1HG2 THR 76 -7.374 10.211 -9.033 611 2HG2 THR 76 2HG2 THR 76 -6.028 9.927 -7.928 612 3HG2 THR 76 3HG2 THR 76 -5.724 10.569 -9.543 613 H SER 77 H SER 77 -3.430 10.977 -8.280 614 HA SER 77 HA SER 77 -2.519 12.929 -10.232 615 1HB SER 77 2HB SER 77 -0.197 12.892 -9.451 616 2HB SER 77 1HB SER 77 -1.258 13.510 -8.184 617 HG SER 77 HG SER 77 -1.087 10.862 -7.943 618 H THR 78 H THR 78 -3.632 10.102 -9.965 619 HA THR 78 HA THR 78 -1.503 8.667 -11.402 620 HB THR 78 HB THR 78 -2.730 6.600 -10.859 621 HG1 THR 78 1HG THR 78 -4.626 6.657 -9.829 622 1HG2 THR 78 1HG2 THR 78 -1.139 6.845 -9.247 623 2HG2 THR 78 2HG2 THR 78 -2.565 7.001 -8.222 624 3HG2 THR 78 3HG2 THR 78 -1.712 8.444 -8.771 625 HA PRO 79 HA PRO 79 -4.289 9.342 -14.878 626 1HB PRO 79 2HB PRO 79 -2.530 8.839 -16.827 627 2HB PRO 79 1HB PRO 79 -2.445 10.326 -15.873 628 1HG PRO 79 2HG PRO 79 -0.839 7.813 -15.605 629 2HG PRO 79 1HG PRO 79 -0.294 9.499 -15.537 630 1HD PRO 79 2HD PRO 79 -0.775 7.950 -13.321 631 2HD PRO 79 1HD PRO 79 -0.881 9.723 -13.335 632 H GLY 80 H GLY 80 -2.832 6.496 -13.756 633 1HA GLY 80 2HA GLY 80 -4.611 4.640 -14.257 634 2HA GLY 80 1HA GLY 80 -3.980 4.840 -15.885 635 H SER 81 H SER 81 -3.363 3.640 -12.688 636 HA SER 81 HA SER 81 -1.802 2.233 -11.826 637 1HB SER 81 2HB SER 81 -2.753 0.829 -13.700 638 2HB SER 81 1HB SER 81 -1.369 1.321 -14.675 639 HG SER 81 HG SER 81 -0.230 0.518 -12.569 640 H ARG 82 H ARG 82 0.060 2.106 -14.747 641 HA ARG 82 HA ARG 82 1.796 4.283 -14.226 642 1HB ARG 82 2HB ARG 82 2.256 2.440 -12.386 643 2HB ARG 82 1HB ARG 82 3.178 1.692 -13.682 644 1HG ARG 82 2HG ARG 82 4.383 3.903 -13.921 645 2HG ARG 82 1HG ARG 82 3.617 4.371 -12.401 646 1HD ARG 82 2HD ARG 82 5.534 3.497 -11.552 647 2HD ARG 82 1HD ARG 82 4.592 2.009 -11.651 648 HE ARG 82 HE ARG 82 6.617 2.845 -13.626 649 1HH1 ARG 82 1HH1 ARG 82 4.808 0.383 -11.947 650 2HH1 ARG 82 2HH1 ARG 82 5.663 -0.930 -12.685 651 1HH2 ARG 82 1HH2 ARG 82 7.744 1.122 -14.605 652 2HH2 ARG 82 2HH2 ARG 82 7.332 -0.510 -14.196 653 H SER 83 H SER 83 2.958 1.085 -15.128 654 HA SER 83 HA SER 83 2.791 1.758 -17.966 655 1HB SER 83 2HB SER 83 5.417 0.687 -17.074 656 2HB SER 83 1HB SER 83 5.041 1.810 -18.381 657 HG SER 83 HG SER 83 4.652 3.399 -16.723 658 H HIS 84 H HIS 84 4.576 -0.369 -18.747 659 HA HIS 84 HA HIS 84 2.750 -2.522 -18.788 660 1HB HIS 84 2HB HIS 84 5.485 -2.008 -19.793 661 2HB HIS 84 1HB HIS 84 5.059 -3.699 -19.558 662 HD2 HIS 84 2HD HIS 84 2.708 -0.909 -21.045 663 HE1 HIS 84 1HE HIS 84 3.271 -4.007 -23.872 664 HE2 HIS 84 2HE HIS 84 2.186 -1.757 -23.439 665 H HIS 85 H HIS 85 3.976 -4.835 -18.370 666 HA HIS 85 HA HIS 85 5.071 -4.815 -15.654 667 1HB HIS 85 2HB HIS 85 2.447 -5.272 -15.939 668 2HB HIS 85 1HB HIS 85 3.036 -6.899 -16.259 669 HD2 HIS 85 2HD HIS 85 5.131 -5.116 -13.621 670 HE1 HIS 85 1HE HIS 85 2.311 -7.533 -11.595 671 HE2 HIS 85 2HE HIS 85 4.500 -6.274 -11.387 672 H HIS 86 H HIS 86 5.801 -5.502 -18.596 673 HA HIS 86 HA HIS 86 7.117 -6.991 -19.698 674 1HB HIS 86 2HB HIS 86 8.448 -6.487 -17.523 675 2HB HIS 86 1HB HIS 86 7.976 -8.115 -17.048 676 HD2 HIS 86 2HD HIS 86 10.268 -9.485 -17.374 677 HE1 HIS 86 1HE HIS 86 11.093 -8.180 -21.314 678 HE2 HIS 86 2HE HIS 86 11.913 -9.595 -19.376 679 H HIS 87 H HIS 87 5.235 -8.108 -20.475 680 HA HIS 87 HA HIS 87 4.101 -10.329 -19.138 681 1HB HIS 87 2HB HIS 87 4.128 -9.957 -22.129 682 2HB HIS 87 1HB HIS 87 2.900 -10.739 -21.138 683 HD2 HIS 87 2HD HIS 87 2.732 -7.897 -23.163 684 HE1 HIS 87 1HE HIS 87 1.276 -6.381 -19.488 685 HE2 HIS 87 2HE HIS 87 1.577 -5.908 -21.963 686 H HIS 88 H HIS 88 4.939 -12.264 -18.793 687 HA HIS 88 HA HIS 88 7.142 -13.178 -20.516 688 1HB HIS 88 2HB HIS 88 7.590 -12.851 -18.052 689 2HB HIS 88 1HB HIS 88 6.474 -14.179 -17.747 690 HD2 HIS 88 2HD HIS 88 7.383 -16.718 -18.515 691 HE1 HIS 88 1HE HIS 88 11.363 -15.432 -19.158 692 HE2 HIS 88 2HE HIS 88 9.860 -17.439 -18.780 693 H HIS 89 H HIS 89 4.306 -14.372 -18.728 694 HA HIS 89 HA HIS 89 4.305 -16.846 -20.234 695 1HB HIS 89 2HB HIS 89 3.507 -16.257 -17.712 696 2HB HIS 89 1HB HIS 89 1.965 -16.170 -18.557 697 HD2 HIS 89 2HD HIS 89 1.302 -18.516 -17.068 698 HE1 HIS 89 1HE HIS 89 3.735 -20.994 -19.488 699 HE2 HIS 89 2HE HIS 89 2.017 -20.948 -17.623
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